USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 801 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 98 ASNHD21 : A 98 ASN ND2 : A 135 NAG C1 :(H bumps) USER MOD Set 1.1: A 82 GLN :FLIP amide:sc= -0.478 F(o=-3.9!,f=-0.29) USER MOD Set 1.2: A 84 TYR OH : rot -13:sc= 0.19 USER MOD Set 2.1: A 66 THR OG1 : rot -40:sc= 1.03 USER MOD Set 2.2: A 121 TYR OH : rot -23:sc= 1.72 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 157:sc= -0.131 (180deg=-2.01!) USER MOD Single : A 60 ASN : amide:sc= -3.33! C(o=-3.3!,f=-3.8!) USER MOD Single : A 62 ASN : amide:sc= -1.05! C(o=-1!,f=-7.5!) USER MOD Single : A 63 TYR OH : rot -175:sc= -3.66 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -3.83! C(o=-3.8!,f=-5.8!) USER MOD Single : A 78 MET CE :methyl -167:sc= -2.92 (180deg=-3.68!) USER MOD Single : A 80 ASN : amide:sc= 0.386 X(o=0.39,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -158:sc= 0.0258 (180deg=0) USER MOD Single : A 92 MET CE :methyl -136:sc= 0 (180deg=-0.177) USER MOD Single : A 93 SER OG : rot 88:sc= -1.74! USER MOD Single : A 94 GLN : amide:sc= -0.0391 K(o=-0.039,f=-2.1!) USER MOD Single : A 97 ASN : amide:sc= -4.86! C(o=-4.9!,f=-12!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN :FLIP amide:sc= -0.443 F(o=-0.96,f=-0.44) USER MOD Single : A 108 SER OG : rot 180:sc= 0.451 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -35:sc= 1.29 USER MOD Single : A 120 LYS NZ :NH3+ 137:sc= -0.882! (180deg=-1.71!) USER MOD Single : A 125 GLN :FLIP amide:sc= -0.0585 F(o=-1.1,f=-0.059) USER MOD Single : A 126 TYR OH : rot 30:sc= 0.979 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 NAG O3 : rot 180:sc= 0 USER MOD Single : A 135 NAG O4 : rot 160:sc= 0 USER MOD Single : A 135 NAG O6 : rot 37:sc= 0.033 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 1.663 -2.299 10.610 1.00 0.00 N ATOM 2 CA GLY A 29 0.807 -3.057 9.657 1.00 0.00 C ATOM 3 C GLY A 29 1.449 -3.037 8.273 1.00 0.00 C ATOM 4 O GLY A 29 1.070 -3.810 7.394 1.00 0.00 O ATOM 0 HA2 GLY A 29 0.685 -4.085 9.999 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.189 -2.615 9.615 1.00 0.00 H new ATOM 10 N LEU A 30 2.418 -2.147 8.085 1.00 0.00 N ATOM 11 CA LEU A 30 3.099 -2.037 6.799 1.00 0.00 C ATOM 12 C LEU A 30 3.331 -3.416 6.187 1.00 0.00 C ATOM 13 O LEU A 30 2.959 -3.662 5.040 1.00 0.00 O ATOM 14 CB LEU A 30 4.436 -1.311 6.970 1.00 0.00 C ATOM 15 CG LEU A 30 4.448 -0.044 6.110 1.00 0.00 C ATOM 16 CD1 LEU A 30 3.419 0.953 6.646 1.00 0.00 C ATOM 17 CD2 LEU A 30 5.841 0.587 6.155 1.00 0.00 C ATOM 0 H LEU A 30 2.747 -1.497 8.799 1.00 0.00 H new ATOM 0 HA LEU A 30 2.463 -1.463 6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.589 -1.053 8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.257 -1.967 6.680 1.00 0.00 H new ATOM 0 HG LEU A 30 4.197 -0.303 5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.430 1.853 6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.426 0.504 6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.666 1.213 7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.852 1.489 5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.091 0.844 7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.574 -0.122 5.769 1.00 0.00 H new ATOM 29 N PRO A 31 3.925 -4.320 6.920 1.00 0.00 N ATOM 30 CA PRO A 31 4.188 -5.698 6.416 1.00 0.00 C ATOM 31 C PRO A 31 2.914 -6.334 5.867 1.00 0.00 C ATOM 32 O PRO A 31 1.858 -5.702 5.849 1.00 0.00 O ATOM 33 CB PRO A 31 4.709 -6.457 7.641 1.00 0.00 C ATOM 34 CG PRO A 31 5.208 -5.409 8.581 1.00 0.00 C ATOM 35 CD PRO A 31 4.407 -4.136 8.299 1.00 0.00 C ATOM 0 HA PRO A 31 4.900 -5.711 5.591 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.918 -7.051 8.100 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.506 -7.147 7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.077 -5.725 9.616 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.274 -5.235 8.433 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.580 -4.021 8.999 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.028 -3.245 8.390 1.00 0.00 H new ATOM 43 N PHE A 32 3.017 -7.576 5.415 1.00 0.00 N ATOM 44 CA PHE A 32 1.858 -8.268 4.862 1.00 0.00 C ATOM 45 C PHE A 32 1.985 -9.771 5.076 1.00 0.00 C ATOM 46 O PHE A 32 1.156 -10.382 5.748 1.00 0.00 O ATOM 47 CB PHE A 32 1.748 -7.983 3.363 1.00 0.00 C ATOM 48 CG PHE A 32 0.294 -7.935 2.957 1.00 0.00 C ATOM 49 CD1 PHE A 32 -0.543 -6.939 3.473 1.00 0.00 C ATOM 50 CD2 PHE A 32 -0.217 -8.884 2.063 1.00 0.00 C ATOM 51 CE1 PHE A 32 -1.891 -6.891 3.094 1.00 0.00 C ATOM 52 CE2 PHE A 32 -1.564 -8.834 1.683 1.00 0.00 C ATOM 53 CZ PHE A 32 -2.400 -7.839 2.199 1.00 0.00 C ATOM 0 H PHE A 32 3.879 -8.121 5.419 1.00 0.00 H new ATOM 0 HA PHE A 32 0.965 -7.907 5.372 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.232 -7.035 3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.268 -8.756 2.797 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.150 -6.207 4.163 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.428 -9.654 1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.537 -6.123 3.492 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.957 -9.564 0.991 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.439 -7.802 1.907 1.00 0.00 H new ATOM 63 N GLY A 33 3.027 -10.357 4.500 1.00 0.00 N ATOM 64 CA GLY A 33 3.249 -11.790 4.635 1.00 0.00 C ATOM 65 C GLY A 33 2.302 -12.565 3.730 1.00 0.00 C ATOM 66 O GLY A 33 1.716 -13.568 4.140 1.00 0.00 O ATOM 0 H GLY A 33 3.725 -9.868 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.282 -12.029 4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.098 -12.091 5.672 1.00 0.00 H new ATOM 70 N LEU A 34 2.153 -12.091 2.499 1.00 0.00 N ATOM 71 CA LEU A 34 1.269 -12.740 1.538 1.00 0.00 C ATOM 72 C LEU A 34 1.666 -12.365 0.114 1.00 0.00 C ATOM 73 O LEU A 34 1.168 -12.939 -0.852 1.00 0.00 O ATOM 74 CB LEU A 34 -0.180 -12.294 1.787 1.00 0.00 C ATOM 75 CG LEU A 34 -1.099 -13.504 1.998 1.00 0.00 C ATOM 76 CD1 LEU A 34 -0.902 -14.526 0.876 1.00 0.00 C ATOM 77 CD2 LEU A 34 -0.783 -14.156 3.345 1.00 0.00 C ATOM 0 H LEU A 34 2.631 -11.263 2.143 1.00 0.00 H new ATOM 0 HA LEU A 34 1.353 -13.820 1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.219 -11.646 2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.534 -11.707 0.940 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.135 -13.166 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.561 -15.378 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.138 -14.064 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.134 -14.864 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.436 -15.016 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.257 -14.484 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.944 -13.434 4.145 1.00 0.00 H new ATOM 89 N MET A 35 2.554 -11.381 -0.008 1.00 0.00 N ATOM 90 CA MET A 35 2.989 -10.922 -1.320 1.00 0.00 C ATOM 91 C MET A 35 1.791 -10.439 -2.122 1.00 0.00 C ATOM 92 O MET A 35 0.720 -11.043 -2.081 1.00 0.00 O ATOM 93 CB MET A 35 3.700 -12.051 -2.076 1.00 0.00 C ATOM 94 CG MET A 35 5.212 -11.855 -1.963 1.00 0.00 C ATOM 95 SD MET A 35 6.058 -13.418 -2.302 1.00 0.00 S ATOM 96 CE MET A 35 7.735 -12.850 -1.919 1.00 0.00 C ATOM 0 H MET A 35 2.981 -10.892 0.778 1.00 0.00 H new ATOM 0 HA MET A 35 3.689 -10.097 -1.186 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.414 -13.018 -1.663 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.398 -12.050 -3.123 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.543 -11.091 -2.667 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.469 -11.501 -0.965 1.00 0.00 H new ATOM 0 HE1 MET A 35 8.439 -13.670 -2.063 1.00 0.00 H new ATOM 0 HE2 MET A 35 7.999 -12.025 -2.580 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.777 -12.513 -0.883 1.00 0.00 H new ATOM 106 N ARG A 36 1.979 -9.350 -2.851 1.00 0.00 N ATOM 107 CA ARG A 36 0.907 -8.794 -3.663 1.00 0.00 C ATOM 108 C ARG A 36 0.949 -9.395 -5.058 1.00 0.00 C ATOM 109 O ARG A 36 2.017 -9.756 -5.551 1.00 0.00 O ATOM 110 CB ARG A 36 1.050 -7.275 -3.734 1.00 0.00 C ATOM 111 CG ARG A 36 0.861 -6.695 -2.332 1.00 0.00 C ATOM 112 CD ARG A 36 1.130 -5.191 -2.355 1.00 0.00 C ATOM 113 NE ARG A 36 0.128 -4.509 -3.164 1.00 0.00 N ATOM 114 CZ ARG A 36 -1.081 -4.238 -2.681 1.00 0.00 C ATOM 115 NH1 ARG A 36 -1.380 -4.560 -1.452 1.00 0.00 N ATOM 116 NH2 ARG A 36 -1.968 -3.651 -3.437 1.00 0.00 N ATOM 0 H ARG A 36 2.859 -8.836 -2.897 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.053 -9.037 -3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.032 -7.006 -4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.310 -6.858 -4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.153 -6.887 -1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.538 -7.184 -1.631 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.116 -4.797 -1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.124 -4.999 -2.758 1.00 0.00 H new ATOM 0 HE ARG A 36 0.358 -4.234 -4.119 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.686 -5.019 -0.862 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.307 -4.352 -1.082 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.734 -3.400 -4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.896 -3.443 -3.067 1.00 0.00 H new ATOM 130 N ARG A 37 -0.209 -9.497 -5.698 1.00 0.00 N ATOM 131 CA ARG A 37 -0.264 -10.055 -7.039 1.00 0.00 C ATOM 132 C ARG A 37 -1.357 -9.411 -7.869 1.00 0.00 C ATOM 133 O ARG A 37 -2.490 -9.241 -7.419 1.00 0.00 O ATOM 134 CB ARG A 37 -0.514 -11.559 -6.987 1.00 0.00 C ATOM 135 CG ARG A 37 -0.612 -12.100 -8.412 1.00 0.00 C ATOM 136 CD ARG A 37 -0.806 -13.613 -8.364 1.00 0.00 C ATOM 137 NE ARG A 37 0.342 -14.238 -7.722 1.00 0.00 N ATOM 138 CZ ARG A 37 0.611 -15.527 -7.889 1.00 0.00 C ATOM 139 NH1 ARG A 37 -0.171 -16.274 -8.621 1.00 0.00 N ATOM 140 NH2 ARG A 37 1.658 -16.049 -7.313 1.00 0.00 N ATOM 0 H ARG A 37 -1.109 -9.205 -5.316 1.00 0.00 H new ATOM 0 HA ARG A 37 0.701 -9.853 -7.505 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.295 -12.056 -6.451 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.434 -11.768 -6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.446 -11.631 -8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.292 -11.855 -8.969 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.717 -13.855 -7.816 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.928 -14.005 -9.374 1.00 0.00 H new ATOM 0 HE ARG A 37 0.952 -13.673 -7.131 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.993 -15.867 -9.068 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.040 -17.264 -8.746 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.266 -15.467 -6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.869 -17.039 -7.439 1.00 0.00 H new ATOM 154 N GLU A 38 -0.997 -9.072 -9.092 1.00 0.00 N ATOM 155 CA GLU A 38 -1.935 -8.463 -10.017 1.00 0.00 C ATOM 156 C GLU A 38 -1.874 -9.179 -11.356 1.00 0.00 C ATOM 157 O GLU A 38 -0.807 -9.603 -11.800 1.00 0.00 O ATOM 158 CB GLU A 38 -1.617 -6.976 -10.193 1.00 0.00 C ATOM 159 CG GLU A 38 -2.085 -6.200 -8.958 1.00 0.00 C ATOM 160 CD GLU A 38 -1.209 -6.547 -7.758 1.00 0.00 C ATOM 161 OE1 GLU A 38 -0.229 -7.247 -7.949 1.00 0.00 O ATOM 162 OE2 GLU A 38 -1.535 -6.114 -6.666 1.00 0.00 O ATOM 0 H GLU A 38 -0.059 -9.208 -9.469 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.943 -8.554 -9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.545 -6.838 -10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.111 -6.591 -11.085 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.040 -5.129 -9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.126 -6.441 -8.740 1.00 0.00 H new ATOM 169 N LEU A 39 -3.024 -9.299 -11.999 1.00 0.00 N ATOM 170 CA LEU A 39 -3.098 -9.957 -13.291 1.00 0.00 C ATOM 171 C LEU A 39 -4.033 -9.171 -14.196 1.00 0.00 C ATOM 172 O LEU A 39 -5.062 -8.668 -13.745 1.00 0.00 O ATOM 173 CB LEU A 39 -3.623 -11.388 -13.132 1.00 0.00 C ATOM 174 CG LEU A 39 -3.261 -12.215 -14.372 1.00 0.00 C ATOM 175 CD1 LEU A 39 -3.345 -13.702 -14.034 1.00 0.00 C ATOM 176 CD2 LEU A 39 -4.232 -11.905 -15.515 1.00 0.00 C ATOM 0 H LEU A 39 -3.916 -8.950 -11.648 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.101 -9.997 -13.729 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.194 -11.846 -12.241 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.704 -11.375 -12.995 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.248 -11.961 -14.682 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.088 -14.290 -14.915 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.648 -13.932 -13.228 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.359 -13.947 -13.718 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.965 -12.498 -16.390 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.248 -12.151 -15.206 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.175 -10.845 -15.764 1.00 0.00 H new ATOM 188 N ALA A 40 -3.684 -9.065 -15.466 1.00 0.00 N ATOM 189 CA ALA A 40 -4.527 -8.333 -16.397 1.00 0.00 C ATOM 190 C ALA A 40 -4.565 -9.037 -17.743 1.00 0.00 C ATOM 191 O ALA A 40 -3.563 -9.586 -18.201 1.00 0.00 O ATOM 192 CB ALA A 40 -4.001 -6.907 -16.574 1.00 0.00 C ATOM 0 H ALA A 40 -2.839 -9.468 -15.872 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.538 -8.294 -15.991 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.640 -6.368 -17.273 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.004 -6.396 -15.611 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.984 -6.940 -16.964 1.00 0.00 H new ATOM 198 N CYS A 41 -5.738 -9.033 -18.362 1.00 0.00 N ATOM 199 CA CYS A 41 -5.915 -9.687 -19.647 1.00 0.00 C ATOM 200 C CYS A 41 -5.105 -8.977 -20.725 1.00 0.00 C ATOM 201 O CYS A 41 -5.090 -7.748 -20.796 1.00 0.00 O ATOM 202 CB CYS A 41 -7.394 -9.674 -20.025 1.00 0.00 C ATOM 203 SG CYS A 41 -8.368 -10.445 -18.709 1.00 0.00 S ATOM 0 H CYS A 41 -6.577 -8.585 -17.995 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.564 -10.716 -19.569 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.729 -8.649 -20.186 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.544 -10.209 -20.963 1.00 0.00 H new ATOM 208 N GLU A 42 -4.418 -9.758 -21.553 1.00 0.00 N ATOM 209 CA GLU A 42 -3.595 -9.185 -22.612 1.00 0.00 C ATOM 210 C GLU A 42 -4.340 -8.116 -23.399 1.00 0.00 C ATOM 211 O GLU A 42 -5.513 -8.274 -23.741 1.00 0.00 O ATOM 212 CB GLU A 42 -3.147 -10.271 -23.585 1.00 0.00 C ATOM 213 CG GLU A 42 -2.273 -9.636 -24.673 1.00 0.00 C ATOM 214 CD GLU A 42 -1.938 -10.660 -25.747 1.00 0.00 C ATOM 215 OE1 GLU A 42 -2.445 -11.768 -25.664 1.00 0.00 O ATOM 216 OE2 GLU A 42 -1.181 -10.322 -26.643 1.00 0.00 O ATOM 0 H GLU A 42 -4.414 -10.777 -21.513 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.733 -8.728 -22.126 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.588 -11.043 -23.056 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.014 -10.756 -24.034 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.794 -8.789 -25.119 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.355 -9.249 -24.231 1.00 0.00 H new ATOM 223 N GLY A 43 -3.628 -7.041 -23.712 1.00 0.00 N ATOM 224 CA GLY A 43 -4.190 -5.954 -24.496 1.00 0.00 C ATOM 225 C GLY A 43 -4.755 -4.835 -23.638 1.00 0.00 C ATOM 226 O GLY A 43 -4.977 -3.731 -24.134 1.00 0.00 O ATOM 0 H GLY A 43 -2.657 -6.900 -23.433 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.418 -5.549 -25.151 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.979 -6.346 -25.138 1.00 0.00 H new ATOM 230 N TYR A 44 -4.989 -5.096 -22.358 1.00 0.00 N ATOM 231 CA TYR A 44 -5.524 -4.070 -21.482 1.00 0.00 C ATOM 232 C TYR A 44 -4.455 -3.614 -20.494 1.00 0.00 C ATOM 233 O TYR A 44 -3.560 -4.380 -20.136 1.00 0.00 O ATOM 234 CB TYR A 44 -6.747 -4.621 -20.747 1.00 0.00 C ATOM 235 CG TYR A 44 -7.878 -4.786 -21.735 1.00 0.00 C ATOM 236 CD1 TYR A 44 -8.479 -3.657 -22.304 1.00 0.00 C ATOM 237 CD2 TYR A 44 -8.325 -6.067 -22.088 1.00 0.00 C ATOM 238 CE1 TYR A 44 -9.524 -3.806 -23.223 1.00 0.00 C ATOM 239 CE2 TYR A 44 -9.371 -6.216 -23.008 1.00 0.00 C ATOM 240 CZ TYR A 44 -9.972 -5.085 -23.574 1.00 0.00 C ATOM 241 OH TYR A 44 -11.004 -5.231 -24.479 1.00 0.00 O ATOM 0 H TYR A 44 -4.819 -5.997 -21.911 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.828 -3.206 -22.072 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.509 -5.578 -20.283 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.042 -3.944 -19.946 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.136 -2.669 -22.033 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.863 -6.940 -21.650 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.985 -2.934 -23.662 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.714 -7.203 -23.281 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.190 -6.184 -24.612 1.00 0.00 H new ATOM 251 N PRO A 45 -4.518 -2.385 -20.067 1.00 0.00 N ATOM 252 CA PRO A 45 -3.525 -1.806 -19.116 1.00 0.00 C ATOM 253 C PRO A 45 -3.633 -2.380 -17.711 1.00 0.00 C ATOM 254 O PRO A 45 -4.712 -2.772 -17.266 1.00 0.00 O ATOM 255 CB PRO A 45 -3.838 -0.309 -19.121 1.00 0.00 C ATOM 256 CG PRO A 45 -5.263 -0.201 -19.551 1.00 0.00 C ATOM 257 CD PRO A 45 -5.550 -1.409 -20.444 1.00 0.00 C ATOM 0 HA PRO A 45 -2.505 -2.037 -19.422 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.692 0.126 -18.132 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.180 0.227 -19.805 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.928 -0.193 -18.687 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.433 0.729 -20.093 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.552 -1.802 -20.273 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.486 -1.148 -21.500 1.00 0.00 H new ATOM 265 N ILE A 46 -2.505 -2.400 -17.004 1.00 0.00 N ATOM 266 CA ILE A 46 -2.478 -2.896 -15.635 1.00 0.00 C ATOM 267 C ILE A 46 -1.913 -1.814 -14.724 1.00 0.00 C ATOM 268 O ILE A 46 -1.003 -1.079 -15.108 1.00 0.00 O ATOM 269 CB ILE A 46 -1.629 -4.168 -15.521 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.819 -4.772 -14.125 1.00 0.00 C ATOM 271 CG2 ILE A 46 -0.152 -3.828 -15.728 1.00 0.00 C ATOM 272 CD1 ILE A 46 -1.101 -6.120 -14.039 1.00 0.00 C ATOM 0 H ILE A 46 -1.603 -2.080 -17.357 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.496 -3.145 -15.334 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.942 -4.882 -16.282 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.427 -4.092 -13.369 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.881 -4.902 -13.917 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.445 -4.736 -15.646 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.014 -3.391 -16.717 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.167 -3.114 -14.969 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.240 -6.544 -13.044 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.514 -6.800 -14.784 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.037 -5.978 -14.227 1.00 0.00 H new ATOM 284 N GLU A 47 -2.472 -1.704 -13.528 1.00 0.00 N ATOM 285 CA GLU A 47 -2.025 -0.682 -12.592 1.00 0.00 C ATOM 286 C GLU A 47 -1.687 -1.269 -11.236 1.00 0.00 C ATOM 287 O GLU A 47 -2.471 -2.008 -10.642 1.00 0.00 O ATOM 288 CB GLU A 47 -3.098 0.396 -12.436 1.00 0.00 C ATOM 289 CG GLU A 47 -2.649 1.431 -11.401 1.00 0.00 C ATOM 290 CD GLU A 47 -3.757 2.453 -11.183 1.00 0.00 C ATOM 291 OE1 GLU A 47 -4.901 2.120 -11.446 1.00 0.00 O ATOM 292 OE2 GLU A 47 -3.449 3.552 -10.752 1.00 0.00 O ATOM 0 H GLU A 47 -3.225 -2.300 -13.186 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.117 -0.238 -13.001 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.280 0.882 -13.394 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.039 -0.057 -12.125 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.406 0.937 -10.460 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.742 1.931 -11.742 1.00 0.00 H new ATOM 299 N LEU A 48 -0.511 -0.904 -10.752 1.00 0.00 N ATOM 300 CA LEU A 48 -0.043 -1.354 -9.458 1.00 0.00 C ATOM 301 C LEU A 48 -0.011 -0.172 -8.502 1.00 0.00 C ATOM 302 O LEU A 48 0.259 0.953 -8.916 1.00 0.00 O ATOM 303 CB LEU A 48 1.348 -1.957 -9.617 1.00 0.00 C ATOM 304 CG LEU A 48 1.285 -3.035 -10.697 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.670 -3.641 -10.904 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.311 -4.133 -10.272 1.00 0.00 C ATOM 0 H LEU A 48 0.140 -0.292 -11.244 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.712 -2.113 -9.053 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.067 -1.185 -9.893 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.686 -2.385 -8.673 1.00 0.00 H new ATOM 0 HG LEU A 48 0.943 -2.585 -11.629 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.619 -4.409 -11.675 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.366 -2.861 -11.214 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.016 -4.086 -9.971 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.268 -4.901 -11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.650 -4.578 -9.337 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.681 -3.705 -10.131 1.00 0.00 H new ATOM 318 N ARG A 49 -0.293 -0.418 -7.229 1.00 0.00 N ATOM 319 CA ARG A 49 -0.285 0.659 -6.246 1.00 0.00 C ATOM 320 C ARG A 49 0.112 0.135 -4.874 1.00 0.00 C ATOM 321 O ARG A 49 -0.476 -0.824 -4.369 1.00 0.00 O ATOM 322 CB ARG A 49 -1.672 1.297 -6.133 1.00 0.00 C ATOM 323 CG ARG A 49 -2.039 2.037 -7.415 1.00 0.00 C ATOM 324 CD ARG A 49 -3.445 2.613 -7.249 1.00 0.00 C ATOM 325 NE ARG A 49 -3.923 3.186 -8.498 1.00 0.00 N ATOM 326 CZ ARG A 49 -5.034 3.914 -8.525 1.00 0.00 C ATOM 327 NH1 ARG A 49 -5.716 4.097 -7.430 1.00 0.00 N ATOM 328 NH2 ARG A 49 -5.450 4.441 -9.642 1.00 0.00 N ATOM 0 H ARG A 49 -0.527 -1.338 -6.856 1.00 0.00 H new ATOM 0 HA ARG A 49 0.439 1.401 -6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.415 0.526 -5.928 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.690 1.989 -5.291 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.322 2.834 -7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.004 1.359 -8.268 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.127 1.829 -6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.440 3.378 -6.472 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.401 3.028 -9.360 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.397 3.682 -6.555 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.569 4.656 -7.448 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.922 4.296 -10.502 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.304 4.999 -9.656 1.00 0.00 H new ATOM 342 N CYS A 50 1.093 0.784 -4.266 1.00 0.00 N ATOM 343 CA CYS A 50 1.544 0.393 -2.941 1.00 0.00 C ATOM 344 C CYS A 50 0.952 1.332 -1.894 1.00 0.00 C ATOM 345 O CYS A 50 0.784 2.525 -2.145 1.00 0.00 O ATOM 346 CB CYS A 50 3.070 0.425 -2.870 1.00 0.00 C ATOM 347 SG CYS A 50 3.728 -1.159 -3.443 1.00 0.00 S ATOM 0 H CYS A 50 1.589 1.580 -4.667 1.00 0.00 H new ATOM 0 HA CYS A 50 1.207 -0.624 -2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.457 1.237 -3.486 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.394 0.618 -1.847 1.00 0.00 H new ATOM 352 N PRO A 51 0.627 0.820 -0.740 1.00 0.00 N ATOM 353 CA PRO A 51 0.027 1.634 0.355 1.00 0.00 C ATOM 354 C PRO A 51 1.043 2.566 1.017 1.00 0.00 C ATOM 355 O PRO A 51 2.249 2.323 0.970 1.00 0.00 O ATOM 356 CB PRO A 51 -0.487 0.585 1.344 1.00 0.00 C ATOM 357 CG PRO A 51 0.351 -0.633 1.113 1.00 0.00 C ATOM 358 CD PRO A 51 0.799 -0.590 -0.349 1.00 0.00 C ATOM 0 HA PRO A 51 -0.754 2.299 -0.013 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.393 0.936 2.372 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.543 0.372 1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.212 -0.642 1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.220 -1.539 1.316 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.836 -0.909 -0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.195 -1.252 -0.970 1.00 0.00 H new ATOM 366 N GLY A 52 0.543 3.617 1.659 1.00 0.00 N ATOM 367 CA GLY A 52 1.404 4.564 2.357 1.00 0.00 C ATOM 368 C GLY A 52 2.506 5.122 1.458 1.00 0.00 C ATOM 369 O GLY A 52 2.282 5.427 0.287 1.00 0.00 O ATOM 0 H GLY A 52 -0.452 3.834 1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.800 5.387 2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.856 4.073 3.219 1.00 0.00 H new ATOM 373 N SER A 53 3.699 5.241 2.035 1.00 0.00 N ATOM 374 CA SER A 53 4.862 5.751 1.312 1.00 0.00 C ATOM 375 C SER A 53 5.740 4.603 0.844 1.00 0.00 C ATOM 376 O SER A 53 6.935 4.780 0.606 1.00 0.00 O ATOM 377 CB SER A 53 5.678 6.681 2.206 1.00 0.00 C ATOM 378 OG SER A 53 5.997 6.012 3.419 1.00 0.00 O ATOM 0 H SER A 53 3.887 4.990 3.006 1.00 0.00 H new ATOM 0 HA SER A 53 4.506 6.307 0.445 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.591 6.985 1.695 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.113 7.589 2.417 1.00 0.00 H new ATOM 0 HG SER A 53 6.522 6.608 3.993 1.00 0.00 H new ATOM 384 N ASP A 54 5.141 3.430 0.701 1.00 0.00 N ATOM 385 CA ASP A 54 5.872 2.262 0.252 1.00 0.00 C ATOM 386 C ASP A 54 6.009 2.277 -1.264 1.00 0.00 C ATOM 387 O ASP A 54 5.309 3.022 -1.951 1.00 0.00 O ATOM 388 CB ASP A 54 5.141 1.000 0.705 1.00 0.00 C ATOM 389 CG ASP A 54 5.098 0.949 2.228 1.00 0.00 C ATOM 390 OD1 ASP A 54 5.725 1.794 2.846 1.00 0.00 O ATOM 391 OD2 ASP A 54 4.433 0.072 2.756 1.00 0.00 O ATOM 0 H ASP A 54 4.152 3.265 0.890 1.00 0.00 H new ATOM 0 HA ASP A 54 6.871 2.274 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.128 0.991 0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.647 0.116 0.316 1.00 0.00 H new ATOM 396 N VAL A 55 6.903 1.446 -1.787 1.00 0.00 N ATOM 397 CA VAL A 55 7.093 1.379 -3.229 1.00 0.00 C ATOM 398 C VAL A 55 7.045 -0.063 -3.708 1.00 0.00 C ATOM 399 O VAL A 55 7.465 -0.984 -3.009 1.00 0.00 O ATOM 400 CB VAL A 55 8.430 1.998 -3.635 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.437 3.484 -3.282 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.569 1.290 -2.897 1.00 0.00 C ATOM 0 H VAL A 55 7.498 0.820 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 55 6.284 1.943 -3.694 1.00 0.00 H new ATOM 0 HB VAL A 55 8.569 1.882 -4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.392 3.923 -3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.629 3.988 -3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.295 3.603 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.522 1.733 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.430 1.401 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.567 0.231 -3.155 1.00 0.00 H new ATOM 412 N ILE A 56 6.527 -0.232 -4.909 1.00 0.00 N ATOM 413 CA ILE A 56 6.407 -1.546 -5.517 1.00 0.00 C ATOM 414 C ILE A 56 7.782 -2.114 -5.852 1.00 0.00 C ATOM 415 O ILE A 56 8.630 -1.417 -6.410 1.00 0.00 O ATOM 416 CB ILE A 56 5.583 -1.422 -6.800 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.198 -0.863 -6.460 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.439 -2.792 -7.465 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.477 -0.476 -7.751 1.00 0.00 C ATOM 0 H ILE A 56 6.179 0.531 -5.489 1.00 0.00 H new ATOM 0 HA ILE A 56 5.917 -2.220 -4.814 1.00 0.00 H new ATOM 0 HB ILE A 56 6.090 -0.747 -7.490 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.617 -1.607 -5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.294 0.006 -5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.851 -2.694 -8.377 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.426 -3.183 -7.710 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.937 -3.477 -6.782 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.491 -0.078 -7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.056 0.282 -8.278 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.369 -1.356 -8.385 1.00 0.00 H new ATOM 431 N MET A 57 7.979 -3.391 -5.557 1.00 0.00 N ATOM 432 CA MET A 57 9.234 -4.049 -5.887 1.00 0.00 C ATOM 433 C MET A 57 8.920 -5.352 -6.593 1.00 0.00 C ATOM 434 O MET A 57 8.579 -6.356 -5.961 1.00 0.00 O ATOM 435 CB MET A 57 10.097 -4.313 -4.650 1.00 0.00 C ATOM 436 CG MET A 57 9.222 -4.673 -3.456 1.00 0.00 C ATOM 437 SD MET A 57 10.213 -5.600 -2.254 1.00 0.00 S ATOM 438 CE MET A 57 11.636 -4.480 -2.192 1.00 0.00 C ATOM 0 H MET A 57 7.293 -3.987 -5.094 1.00 0.00 H new ATOM 0 HA MET A 57 9.810 -3.388 -6.534 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.796 -5.124 -4.854 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.692 -3.429 -4.419 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.822 -3.769 -2.997 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.369 -5.270 -3.781 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.169 -4.620 -1.251 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.306 -4.697 -3.024 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.291 -3.449 -2.263 1.00 0.00 H new ATOM 448 N VAL A 58 9.016 -5.307 -7.914 1.00 0.00 N ATOM 449 CA VAL A 58 8.725 -6.467 -8.733 1.00 0.00 C ATOM 450 C VAL A 58 9.699 -7.594 -8.426 1.00 0.00 C ATOM 451 O VAL A 58 10.913 -7.431 -8.536 1.00 0.00 O ATOM 452 CB VAL A 58 8.798 -6.093 -10.215 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.436 -7.309 -11.070 1.00 0.00 C ATOM 454 CG2 VAL A 58 7.805 -4.961 -10.501 1.00 0.00 C ATOM 0 H VAL A 58 9.294 -4.477 -8.439 1.00 0.00 H new ATOM 0 HA VAL A 58 7.716 -6.812 -8.504 1.00 0.00 H new ATOM 0 HB VAL A 58 9.809 -5.767 -10.457 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.489 -7.041 -12.125 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.137 -8.119 -10.866 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.424 -7.635 -10.829 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.854 -4.692 -11.556 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.796 -5.292 -10.258 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.058 -4.093 -9.893 1.00 0.00 H new ATOM 464 N GLU A 59 9.151 -8.741 -8.045 1.00 0.00 N ATOM 465 CA GLU A 59 9.967 -9.902 -7.729 1.00 0.00 C ATOM 466 C GLU A 59 9.905 -10.886 -8.886 1.00 0.00 C ATOM 467 O GLU A 59 10.931 -11.400 -9.334 1.00 0.00 O ATOM 468 CB GLU A 59 9.462 -10.559 -6.442 1.00 0.00 C ATOM 469 CG GLU A 59 9.713 -9.618 -5.260 1.00 0.00 C ATOM 470 CD GLU A 59 11.209 -9.354 -5.110 1.00 0.00 C ATOM 471 OE1 GLU A 59 11.973 -10.293 -5.255 1.00 0.00 O ATOM 472 OE2 GLU A 59 11.567 -8.217 -4.852 1.00 0.00 O ATOM 0 H GLU A 59 8.147 -8.890 -7.948 1.00 0.00 H new ATOM 0 HA GLU A 59 11.001 -9.594 -7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.398 -10.780 -6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.973 -11.508 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.183 -8.678 -5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.320 -10.059 -4.344 1.00 0.00 H new ATOM 479 N ASN A 60 8.691 -11.144 -9.368 1.00 0.00 N ATOM 480 CA ASN A 60 8.500 -12.070 -10.473 1.00 0.00 C ATOM 481 C ASN A 60 7.321 -11.628 -11.331 1.00 0.00 C ATOM 482 O ASN A 60 6.324 -11.113 -10.824 1.00 0.00 O ATOM 483 CB ASN A 60 8.214 -13.474 -9.943 1.00 0.00 C ATOM 484 CG ASN A 60 9.185 -13.839 -8.827 1.00 0.00 C ATOM 485 OD1 ASN A 60 10.385 -13.589 -8.937 1.00 0.00 O ATOM 486 ND2 ASN A 60 8.725 -14.412 -7.745 1.00 0.00 N ATOM 0 H ASN A 60 7.832 -10.726 -9.011 1.00 0.00 H new ATOM 0 HA ASN A 60 9.412 -12.079 -11.070 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.190 -13.526 -9.572 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.296 -14.198 -10.754 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.362 -14.654 -6.986 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.729 -14.616 -7.660 1.00 0.00 H new ATOM 493 N ALA A 61 7.439 -11.842 -12.635 1.00 0.00 N ATOM 494 CA ALA A 61 6.382 -11.470 -13.563 1.00 0.00 C ATOM 495 C ALA A 61 6.596 -12.175 -14.896 1.00 0.00 C ATOM 496 O ALA A 61 7.729 -12.460 -15.279 1.00 0.00 O ATOM 497 CB ALA A 61 6.378 -9.952 -13.771 1.00 0.00 C ATOM 0 H ALA A 61 8.255 -12.270 -13.072 1.00 0.00 H new ATOM 0 HA ALA A 61 5.421 -11.773 -13.148 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.584 -9.682 -14.467 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.208 -9.454 -12.816 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.339 -9.638 -14.178 1.00 0.00 H new ATOM 503 N ASN A 62 5.508 -12.457 -15.599 1.00 0.00 N ATOM 504 CA ASN A 62 5.606 -13.134 -16.882 1.00 0.00 C ATOM 505 C ASN A 62 4.498 -12.691 -17.822 1.00 0.00 C ATOM 506 O ASN A 62 3.379 -12.407 -17.392 1.00 0.00 O ATOM 507 CB ASN A 62 5.496 -14.647 -16.693 1.00 0.00 C ATOM 508 CG ASN A 62 5.651 -15.342 -18.039 1.00 0.00 C ATOM 509 OD1 ASN A 62 6.755 -15.410 -18.582 1.00 0.00 O ATOM 510 ND2 ASN A 62 4.603 -15.853 -18.626 1.00 0.00 N ATOM 0 H ASN A 62 4.558 -12.230 -15.306 1.00 0.00 H new ATOM 0 HA ASN A 62 6.573 -12.875 -17.313 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.264 -14.994 -16.002 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.532 -14.899 -16.251 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.698 -16.308 -19.534 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.689 -15.797 -18.177 1.00 0.00 H new ATOM 517 N TYR A 63 4.805 -12.665 -19.113 1.00 0.00 N ATOM 518 CA TYR A 63 3.822 -12.299 -20.116 1.00 0.00 C ATOM 519 C TYR A 63 3.620 -13.481 -21.057 1.00 0.00 C ATOM 520 O TYR A 63 4.569 -13.947 -21.688 1.00 0.00 O ATOM 521 CB TYR A 63 4.299 -11.078 -20.904 1.00 0.00 C ATOM 522 CG TYR A 63 3.319 -10.780 -22.012 1.00 0.00 C ATOM 523 CD1 TYR A 63 2.034 -10.324 -21.704 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.699 -10.955 -23.349 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.127 -10.041 -22.731 1.00 0.00 C ATOM 526 CE2 TYR A 63 2.792 -10.673 -24.376 1.00 0.00 C ATOM 527 CZ TYR A 63 1.506 -10.215 -24.067 1.00 0.00 C ATOM 528 OH TYR A 63 0.610 -9.935 -25.079 1.00 0.00 O ATOM 0 H TYR A 63 5.726 -12.893 -19.486 1.00 0.00 H new ATOM 0 HA TYR A 63 2.879 -12.047 -19.630 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.389 -10.217 -20.242 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.289 -11.264 -21.320 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.741 -10.190 -20.673 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.692 -11.307 -23.587 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.134 -9.688 -22.493 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.084 -10.809 -25.407 1.00 0.00 H new ATOM 0 HH TYR A 63 1.003 -10.184 -25.942 1.00 0.00 H new ATOM 538 N GLY A 64 2.393 -13.980 -21.125 1.00 0.00 N ATOM 539 CA GLY A 64 2.111 -15.132 -21.976 1.00 0.00 C ATOM 540 C GLY A 64 0.819 -15.820 -21.553 1.00 0.00 C ATOM 541 O GLY A 64 -0.169 -15.164 -21.223 1.00 0.00 O ATOM 0 H GLY A 64 1.590 -13.615 -20.613 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.033 -14.811 -23.015 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.938 -15.840 -21.922 1.00 0.00 H new ATOM 545 N ARG A 65 0.847 -17.150 -21.558 1.00 0.00 N ATOM 546 CA ARG A 65 -0.314 -17.937 -21.165 1.00 0.00 C ATOM 547 C ARG A 65 0.113 -19.312 -20.663 1.00 0.00 C ATOM 548 O ARG A 65 0.666 -20.118 -21.412 1.00 0.00 O ATOM 549 CB ARG A 65 -1.291 -18.108 -22.329 1.00 0.00 C ATOM 550 CG ARG A 65 -2.296 -19.204 -21.952 1.00 0.00 C ATOM 551 CD ARG A 65 -3.662 -18.955 -22.603 1.00 0.00 C ATOM 552 NE ARG A 65 -4.688 -18.897 -21.571 1.00 0.00 N ATOM 553 CZ ARG A 65 -5.100 -17.740 -21.063 1.00 0.00 C ATOM 554 NH1 ARG A 65 -4.547 -16.623 -21.442 1.00 0.00 N ATOM 555 NH2 ARG A 65 -6.048 -17.723 -20.166 1.00 0.00 N ATOM 0 H ARG A 65 1.660 -17.703 -21.830 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.815 -17.396 -20.363 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.809 -17.171 -22.532 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.755 -18.380 -23.239 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.913 -20.175 -22.266 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.408 -19.240 -20.868 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.644 -18.022 -23.166 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.889 -19.751 -23.312 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.100 -19.765 -21.230 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.795 -16.634 -22.131 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.866 -15.737 -21.050 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.472 -18.597 -19.855 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.365 -16.836 -19.776 1.00 0.00 H new ATOM 569 N THR A 66 -0.159 -19.569 -19.387 1.00 0.00 N ATOM 570 CA THR A 66 0.186 -20.850 -18.775 1.00 0.00 C ATOM 571 C THR A 66 -1.062 -21.507 -18.211 1.00 0.00 C ATOM 572 O THR A 66 -0.986 -22.508 -17.501 1.00 0.00 O ATOM 573 CB THR A 66 1.209 -20.644 -17.651 1.00 0.00 C ATOM 574 OG1 THR A 66 0.554 -20.108 -16.509 1.00 0.00 O ATOM 575 CG2 THR A 66 2.301 -19.678 -18.113 1.00 0.00 C ATOM 0 H THR A 66 -0.616 -18.910 -18.757 1.00 0.00 H new ATOM 0 HA THR A 66 0.621 -21.495 -19.539 1.00 0.00 H new ATOM 0 HB THR A 66 1.662 -21.602 -17.397 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.110 -19.446 -16.793 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.024 -19.536 -17.310 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.805 -20.090 -18.987 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.853 -18.719 -18.371 1.00 0.00 H new ATOM 583 N ASP A 67 -2.212 -20.934 -18.539 1.00 0.00 N ATOM 584 CA ASP A 67 -3.481 -21.461 -18.070 1.00 0.00 C ATOM 585 C ASP A 67 -4.567 -21.220 -19.107 1.00 0.00 C ATOM 586 O ASP A 67 -4.298 -20.739 -20.207 1.00 0.00 O ATOM 587 CB ASP A 67 -3.878 -20.801 -16.749 1.00 0.00 C ATOM 588 CG ASP A 67 -5.009 -21.590 -16.097 1.00 0.00 C ATOM 589 OD1 ASP A 67 -5.230 -22.717 -16.508 1.00 0.00 O ATOM 590 OD2 ASP A 67 -5.638 -21.058 -15.198 1.00 0.00 O ATOM 0 H ASP A 67 -2.290 -20.105 -19.128 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.369 -22.534 -17.911 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.019 -20.759 -16.080 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.194 -19.773 -16.926 1.00 0.00 H new ATOM 595 N ASP A 68 -5.795 -21.538 -18.735 1.00 0.00 N ATOM 596 CA ASP A 68 -6.929 -21.336 -19.625 1.00 0.00 C ATOM 597 C ASP A 68 -8.161 -20.956 -18.821 1.00 0.00 C ATOM 598 O ASP A 68 -9.246 -20.768 -19.369 1.00 0.00 O ATOM 599 CB ASP A 68 -7.200 -22.598 -20.449 1.00 0.00 C ATOM 600 CG ASP A 68 -7.613 -23.745 -19.536 1.00 0.00 C ATOM 601 OD1 ASP A 68 -7.914 -23.481 -18.386 1.00 0.00 O ATOM 602 OD2 ASP A 68 -7.619 -24.873 -20.002 1.00 0.00 O ATOM 0 H ASP A 68 -6.033 -21.936 -17.827 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.691 -20.524 -20.312 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.986 -22.403 -21.178 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.307 -22.874 -21.010 1.00 0.00 H new ATOM 607 N LYS A 69 -7.978 -20.840 -17.513 1.00 0.00 N ATOM 608 CA LYS A 69 -9.069 -20.465 -16.627 1.00 0.00 C ATOM 609 C LYS A 69 -8.958 -18.995 -16.244 1.00 0.00 C ATOM 610 O LYS A 69 -9.719 -18.508 -15.410 1.00 0.00 O ATOM 611 CB LYS A 69 -9.034 -21.304 -15.351 1.00 0.00 C ATOM 612 CG LYS A 69 -9.272 -22.775 -15.680 1.00 0.00 C ATOM 613 CD LYS A 69 -9.335 -23.575 -14.373 1.00 0.00 C ATOM 614 CE LYS A 69 -9.510 -25.063 -14.680 1.00 0.00 C ATOM 615 NZ LYS A 69 -8.180 -25.674 -14.962 1.00 0.00 N ATOM 0 H LYS A 69 -7.087 -21.000 -17.044 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.006 -20.640 -17.156 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.070 -21.186 -14.856 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.795 -20.952 -14.655 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.202 -22.891 -16.237 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.471 -23.153 -16.315 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.423 -23.419 -13.797 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.164 -23.222 -13.760 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.981 -25.566 -13.836 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.170 -25.193 -15.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.300 -26.686 -15.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.747 -25.201 -15.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.564 -25.562 -14.132 1.00 0.00 H new ATOM 629 N ILE A 70 -7.992 -18.295 -16.836 1.00 0.00 N ATOM 630 CA ILE A 70 -7.781 -16.884 -16.523 1.00 0.00 C ATOM 631 C ILE A 70 -8.054 -16.020 -17.745 1.00 0.00 C ATOM 632 O ILE A 70 -7.664 -16.366 -18.860 1.00 0.00 O ATOM 633 CB ILE A 70 -6.335 -16.655 -16.080 1.00 0.00 C ATOM 634 CG1 ILE A 70 -5.949 -17.694 -15.030 1.00 0.00 C ATOM 635 CG2 ILE A 70 -6.202 -15.254 -15.484 1.00 0.00 C ATOM 636 CD1 ILE A 70 -6.910 -17.615 -13.848 1.00 0.00 C ATOM 0 H ILE A 70 -7.349 -18.678 -17.529 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.466 -16.610 -15.721 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.673 -16.749 -16.941 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.976 -18.693 -15.466 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.927 -17.521 -14.692 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.172 -15.089 -15.168 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.474 -14.512 -16.235 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.865 -15.160 -14.624 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.630 -18.358 -13.101 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.861 -16.620 -13.405 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.926 -17.810 -14.191 1.00 0.00 H new ATOM 648 N CYS A 71 -8.728 -14.901 -17.532 1.00 0.00 N ATOM 649 CA CYS A 71 -9.050 -14.006 -18.637 1.00 0.00 C ATOM 650 C CYS A 71 -9.746 -14.797 -19.736 1.00 0.00 C ATOM 651 O CYS A 71 -9.140 -15.145 -20.748 1.00 0.00 O ATOM 652 CB CYS A 71 -7.773 -13.370 -19.190 1.00 0.00 C ATOM 653 SG CYS A 71 -7.248 -12.016 -18.111 1.00 0.00 S ATOM 0 H CYS A 71 -9.060 -14.592 -16.618 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.709 -13.215 -18.279 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -6.984 -14.118 -19.260 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -7.949 -12.996 -20.199 1.00 0.00 H new ATOM 658 N ASP A 72 -11.015 -15.109 -19.507 1.00 0.00 N ATOM 659 CA ASP A 72 -11.787 -15.898 -20.459 1.00 0.00 C ATOM 660 C ASP A 72 -11.814 -15.270 -21.853 1.00 0.00 C ATOM 661 O ASP A 72 -12.262 -14.138 -22.037 1.00 0.00 O ATOM 662 CB ASP A 72 -13.213 -16.073 -19.942 1.00 0.00 C ATOM 663 CG ASP A 72 -13.952 -17.092 -20.802 1.00 0.00 C ATOM 664 OD1 ASP A 72 -13.307 -17.710 -21.634 1.00 0.00 O ATOM 665 OD2 ASP A 72 -15.147 -17.244 -20.614 1.00 0.00 O ATOM 0 H ASP A 72 -11.531 -14.829 -18.673 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.298 -16.868 -20.552 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.195 -16.404 -18.904 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.737 -15.117 -19.963 1.00 0.00 H new ATOM 670 N ALA A 73 -11.347 -16.042 -22.831 1.00 0.00 N ATOM 671 CA ALA A 73 -11.325 -15.611 -24.226 1.00 0.00 C ATOM 672 C ALA A 73 -11.817 -16.763 -25.098 1.00 0.00 C ATOM 673 O ALA A 73 -12.336 -17.750 -24.581 1.00 0.00 O ATOM 674 CB ALA A 73 -9.897 -15.228 -24.634 1.00 0.00 C ATOM 0 H ALA A 73 -10.975 -16.980 -22.680 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.970 -14.742 -24.354 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.890 -14.908 -25.676 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.544 -14.413 -24.002 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.241 -16.090 -24.515 1.00 0.00 H new ATOM 680 N ASP A 74 -11.634 -16.662 -26.409 1.00 0.00 N ATOM 681 CA ASP A 74 -12.063 -17.751 -27.277 1.00 0.00 C ATOM 682 C ASP A 74 -11.283 -19.011 -26.891 1.00 0.00 C ATOM 683 O ASP A 74 -10.072 -18.953 -26.665 1.00 0.00 O ATOM 684 CB ASP A 74 -11.832 -17.402 -28.752 1.00 0.00 C ATOM 685 CG ASP A 74 -10.572 -16.564 -28.911 1.00 0.00 C ATOM 686 OD1 ASP A 74 -9.996 -16.194 -27.901 1.00 0.00 O ATOM 687 OD2 ASP A 74 -10.200 -16.301 -30.044 1.00 0.00 O ATOM 0 H ASP A 74 -11.206 -15.866 -26.882 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.132 -17.921 -27.149 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.744 -18.316 -29.339 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.691 -16.855 -29.141 1.00 0.00 H new ATOM 692 N PRO A 75 -11.945 -20.135 -26.763 1.00 0.00 N ATOM 693 CA PRO A 75 -11.276 -21.395 -26.339 1.00 0.00 C ATOM 694 C PRO A 75 -10.055 -21.751 -27.185 1.00 0.00 C ATOM 695 O PRO A 75 -9.086 -22.309 -26.669 1.00 0.00 O ATOM 696 CB PRO A 75 -12.356 -22.474 -26.450 1.00 0.00 C ATOM 697 CG PRO A 75 -13.522 -21.848 -27.142 1.00 0.00 C ATOM 698 CD PRO A 75 -13.378 -20.333 -27.007 1.00 0.00 C ATOM 0 HA PRO A 75 -10.881 -21.294 -25.328 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.988 -23.333 -27.012 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.642 -22.838 -25.463 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.546 -22.139 -28.192 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.458 -22.185 -26.697 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.704 -19.819 -27.911 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -13.980 -19.946 -26.185 1.00 0.00 H new ATOM 706 N PHE A 76 -10.090 -21.423 -28.474 1.00 0.00 N ATOM 707 CA PHE A 76 -8.962 -21.731 -29.349 1.00 0.00 C ATOM 708 C PHE A 76 -7.730 -20.967 -28.898 1.00 0.00 C ATOM 709 O PHE A 76 -6.609 -21.468 -28.981 1.00 0.00 O ATOM 710 CB PHE A 76 -9.294 -21.360 -30.792 1.00 0.00 C ATOM 711 CG PHE A 76 -10.470 -22.180 -31.254 1.00 0.00 C ATOM 712 CD1 PHE A 76 -11.768 -21.708 -31.040 1.00 0.00 C ATOM 713 CD2 PHE A 76 -10.267 -23.407 -31.896 1.00 0.00 C ATOM 714 CE1 PHE A 76 -12.867 -22.460 -31.467 1.00 0.00 C ATOM 715 CE2 PHE A 76 -11.366 -24.161 -32.323 1.00 0.00 C ATOM 716 CZ PHE A 76 -12.666 -23.687 -32.109 1.00 0.00 C ATOM 0 H PHE A 76 -10.872 -20.952 -28.930 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.763 -22.801 -29.294 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.526 -20.297 -30.863 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.433 -21.542 -31.435 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.922 -20.761 -30.544 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.264 -23.771 -32.062 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.870 -22.094 -31.301 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -11.211 -25.109 -32.818 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.514 -24.269 -32.440 1.00 0.00 H new ATOM 726 N GLN A 77 -7.947 -19.759 -28.404 1.00 0.00 N ATOM 727 CA GLN A 77 -6.846 -18.943 -27.924 1.00 0.00 C ATOM 728 C GLN A 77 -6.505 -19.338 -26.491 1.00 0.00 C ATOM 729 O GLN A 77 -5.439 -18.996 -25.983 1.00 0.00 O ATOM 730 CB GLN A 77 -7.225 -17.461 -27.996 1.00 0.00 C ATOM 731 CG GLN A 77 -7.425 -17.063 -29.460 1.00 0.00 C ATOM 732 CD GLN A 77 -7.582 -15.551 -29.580 1.00 0.00 C ATOM 733 OE1 GLN A 77 -6.975 -14.800 -28.816 1.00 0.00 O ATOM 734 NE2 GLN A 77 -8.366 -15.056 -30.501 1.00 0.00 N ATOM 0 H GLN A 77 -8.867 -19.326 -28.325 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.971 -19.107 -28.553 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.138 -17.279 -27.429 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.443 -16.851 -27.545 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.574 -17.395 -30.054 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.308 -17.560 -29.862 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.868 -15.680 -31.133 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.476 -14.046 -30.588 1.00 0.00 H new ATOM 743 N MET A 78 -7.408 -20.077 -25.850 1.00 0.00 N ATOM 744 CA MET A 78 -7.173 -20.530 -24.481 1.00 0.00 C ATOM 745 C MET A 78 -6.686 -21.981 -24.468 1.00 0.00 C ATOM 746 O MET A 78 -6.453 -22.554 -23.404 1.00 0.00 O ATOM 747 CB MET A 78 -8.451 -20.427 -23.641 1.00 0.00 C ATOM 748 CG MET A 78 -8.905 -18.968 -23.558 1.00 0.00 C ATOM 749 SD MET A 78 -10.208 -18.806 -22.304 1.00 0.00 S ATOM 750 CE MET A 78 -9.133 -18.505 -20.876 1.00 0.00 C ATOM 0 H MET A 78 -8.299 -20.372 -26.250 1.00 0.00 H new ATOM 0 HA MET A 78 -6.408 -19.884 -24.050 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.238 -21.037 -24.085 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.271 -20.818 -22.640 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.060 -18.328 -23.304 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.276 -18.636 -24.528 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.712 -18.604 -19.958 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.320 -19.231 -20.873 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.720 -17.498 -20.937 1.00 0.00 H new ATOM 760 N GLU A 79 -6.568 -22.588 -25.651 1.00 0.00 N ATOM 761 CA GLU A 79 -6.144 -23.991 -25.733 1.00 0.00 C ATOM 762 C GLU A 79 -4.744 -24.222 -25.178 1.00 0.00 C ATOM 763 O GLU A 79 -4.544 -25.118 -24.358 1.00 0.00 O ATOM 764 CB GLU A 79 -6.162 -24.488 -27.187 1.00 0.00 C ATOM 765 CG GLU A 79 -7.577 -24.890 -27.600 1.00 0.00 C ATOM 766 CD GLU A 79 -7.553 -25.494 -29.002 1.00 0.00 C ATOM 767 OE1 GLU A 79 -6.629 -25.191 -29.739 1.00 0.00 O ATOM 768 OE2 GLU A 79 -8.454 -26.256 -29.315 1.00 0.00 O ATOM 0 H GLU A 79 -6.755 -22.143 -26.549 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.858 -24.546 -25.125 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.793 -23.705 -27.849 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.490 -25.340 -27.294 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.982 -25.611 -26.890 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.233 -24.020 -27.580 1.00 0.00 H new ATOM 775 N ASN A 80 -3.767 -23.454 -25.641 1.00 0.00 N ATOM 776 CA ASN A 80 -2.394 -23.646 -25.189 1.00 0.00 C ATOM 777 C ASN A 80 -2.119 -22.973 -23.847 1.00 0.00 C ATOM 778 O ASN A 80 -2.172 -21.751 -23.728 1.00 0.00 O ATOM 779 CB ASN A 80 -1.434 -23.088 -26.238 1.00 0.00 C ATOM 780 CG ASN A 80 0.001 -23.453 -25.883 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.372 -24.627 -25.913 1.00 0.00 O ATOM 782 ND2 ASN A 80 0.836 -22.507 -25.547 1.00 0.00 N ATOM 0 H ASN A 80 -3.895 -22.703 -26.319 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.242 -24.717 -25.055 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.686 -23.486 -27.221 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.538 -22.005 -26.297 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.800 -22.739 -25.308 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.524 -21.536 -25.524 1.00 0.00 H new ATOM 789 N VAL A 81 -1.814 -23.795 -22.846 1.00 0.00 N ATOM 790 CA VAL A 81 -1.511 -23.294 -21.507 1.00 0.00 C ATOM 791 C VAL A 81 -0.012 -23.370 -21.233 1.00 0.00 C ATOM 792 O VAL A 81 0.413 -23.629 -20.107 1.00 0.00 O ATOM 793 CB VAL A 81 -2.265 -24.105 -20.454 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.770 -23.959 -20.680 1.00 0.00 C ATOM 795 CG2 VAL A 81 -1.875 -25.579 -20.574 1.00 0.00 C ATOM 0 H VAL A 81 -1.770 -24.810 -22.936 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.829 -22.253 -21.453 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.009 -23.738 -19.460 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.308 -24.537 -19.929 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.050 -22.909 -20.599 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.026 -24.327 -21.674 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.412 -26.160 -19.824 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.133 -25.944 -21.568 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.802 -25.685 -20.416 1.00 0.00 H new ATOM 805 N GLN A 82 0.788 -23.143 -22.275 1.00 0.00 N ATOM 806 CA GLN A 82 2.240 -23.186 -22.146 1.00 0.00 C ATOM 807 C GLN A 82 2.883 -22.061 -22.950 1.00 0.00 C ATOM 808 O GLN A 82 3.287 -22.257 -24.095 1.00 0.00 O ATOM 809 CB GLN A 82 2.777 -24.525 -22.648 1.00 0.00 C ATOM 810 CG GLN A 82 2.175 -25.655 -21.818 1.00 0.00 C ATOM 811 CD GLN A 82 2.786 -25.658 -20.423 1.00 0.00 C ATOM 812 OE1 GLN A 82 3.684 -24.762 -20.111 1.00 0.00 O flip ATOM 813 NE2 GLN A 82 2.434 -26.496 -19.593 1.00 0.00 N flip ATOM 0 H GLN A 82 0.454 -22.928 -23.214 1.00 0.00 H new ATOM 0 HA GLN A 82 2.488 -23.064 -21.092 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.526 -24.658 -23.700 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.864 -24.544 -22.574 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.094 -25.532 -21.750 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.357 -26.613 -22.306 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.733 -27.194 -19.839 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.844 -26.492 -18.659 1.00 0.00 H new ATOM 822 N CYS A 83 2.990 -20.886 -22.340 1.00 0.00 N ATOM 823 CA CYS A 83 3.600 -19.739 -23.002 1.00 0.00 C ATOM 824 C CYS A 83 4.284 -18.863 -21.950 1.00 0.00 C ATOM 825 O CYS A 83 3.628 -18.359 -21.040 1.00 0.00 O ATOM 826 CB CYS A 83 2.518 -18.945 -23.744 1.00 0.00 C ATOM 827 SG CYS A 83 3.127 -17.294 -24.161 1.00 0.00 S ATOM 0 H CYS A 83 2.663 -20.703 -21.391 1.00 0.00 H new ATOM 0 HA CYS A 83 4.344 -20.073 -23.725 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.228 -19.473 -24.652 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.626 -18.865 -23.123 1.00 0.00 H new ATOM 832 N TYR A 84 5.603 -18.693 -22.059 1.00 0.00 N ATOM 833 CA TYR A 84 6.332 -17.887 -21.079 1.00 0.00 C ATOM 834 C TYR A 84 7.228 -16.851 -21.751 1.00 0.00 C ATOM 835 O TYR A 84 7.678 -17.040 -22.880 1.00 0.00 O ATOM 836 CB TYR A 84 7.214 -18.784 -20.208 1.00 0.00 C ATOM 837 CG TYR A 84 6.386 -19.856 -19.545 1.00 0.00 C ATOM 838 CD1 TYR A 84 6.168 -21.074 -20.199 1.00 0.00 C ATOM 839 CD2 TYR A 84 5.858 -19.643 -18.265 1.00 0.00 C ATOM 840 CE1 TYR A 84 5.415 -22.076 -19.578 1.00 0.00 C ATOM 841 CE2 TYR A 84 5.108 -20.648 -17.643 1.00 0.00 C ATOM 842 CZ TYR A 84 4.889 -21.864 -18.299 1.00 0.00 C ATOM 843 OH TYR A 84 4.152 -22.853 -17.684 1.00 0.00 O ATOM 0 H TYR A 84 6.178 -19.094 -22.800 1.00 0.00 H new ATOM 0 HA TYR A 84 5.586 -17.374 -20.473 1.00 0.00 H new ATOM 0 HB2 TYR A 84 7.992 -19.243 -20.819 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.717 -18.184 -19.450 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.581 -21.240 -21.183 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.029 -18.705 -17.759 1.00 0.00 H new ATOM 0 HE1 TYR A 84 5.240 -23.013 -20.086 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.699 -20.485 -16.657 1.00 0.00 H new ATOM 0 HH TYR A 84 3.922 -23.545 -18.339 1.00 0.00 H new ATOM 853 N LEU A 85 7.501 -15.768 -21.027 1.00 0.00 N ATOM 854 CA LEU A 85 8.368 -14.708 -21.525 1.00 0.00 C ATOM 855 C LEU A 85 9.150 -14.104 -20.361 1.00 0.00 C ATOM 856 O LEU A 85 8.725 -13.114 -19.767 1.00 0.00 O ATOM 857 CB LEU A 85 7.535 -13.620 -22.201 1.00 0.00 C ATOM 858 CG LEU A 85 8.461 -12.507 -22.689 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.295 -13.006 -23.872 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.625 -11.313 -23.132 1.00 0.00 C ATOM 0 H LEU A 85 7.132 -15.603 -20.091 1.00 0.00 H new ATOM 0 HA LEU A 85 9.061 -15.127 -22.255 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.978 -14.040 -23.039 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.802 -13.219 -21.501 1.00 0.00 H new ATOM 0 HG LEU A 85 9.126 -12.212 -21.878 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.953 -12.208 -24.215 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.894 -13.861 -23.560 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.632 -13.304 -24.684 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.283 -10.517 -23.481 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.960 -11.615 -23.941 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.033 -10.952 -22.291 1.00 0.00 H new ATOM 872 N PRO A 86 10.263 -14.692 -20.017 1.00 0.00 N ATOM 873 CA PRO A 86 11.113 -14.221 -18.880 1.00 0.00 C ATOM 874 C PRO A 86 11.363 -12.712 -18.886 1.00 0.00 C ATOM 875 O PRO A 86 11.263 -12.058 -17.847 1.00 0.00 O ATOM 876 CB PRO A 86 12.426 -14.977 -19.080 1.00 0.00 C ATOM 877 CG PRO A 86 12.063 -16.218 -19.825 1.00 0.00 C ATOM 878 CD PRO A 86 10.839 -15.877 -20.676 1.00 0.00 C ATOM 0 HA PRO A 86 10.627 -14.410 -17.923 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.142 -14.377 -19.642 1.00 0.00 H new ATOM 0 HB3 PRO A 86 12.891 -15.216 -18.123 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.891 -16.549 -20.452 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.840 -17.032 -19.135 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.118 -15.663 -21.708 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.129 -16.703 -20.702 1.00 0.00 H new ATOM 886 N ASP A 87 11.741 -12.174 -20.037 1.00 0.00 N ATOM 887 CA ASP A 87 12.064 -10.752 -20.145 1.00 0.00 C ATOM 888 C ASP A 87 10.917 -9.844 -19.698 1.00 0.00 C ATOM 889 O ASP A 87 11.146 -8.687 -19.345 1.00 0.00 O ATOM 890 CB ASP A 87 12.433 -10.427 -21.589 1.00 0.00 C ATOM 891 CG ASP A 87 13.717 -11.153 -21.970 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.526 -11.386 -21.088 1.00 0.00 O ATOM 893 OD2 ASP A 87 13.872 -11.465 -23.138 1.00 0.00 O ATOM 0 H ASP A 87 11.832 -12.696 -20.909 1.00 0.00 H new ATOM 0 HA ASP A 87 12.903 -10.561 -19.476 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.624 -10.725 -22.256 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.564 -9.351 -21.707 1.00 0.00 H new ATOM 898 N ALA A 88 9.694 -10.351 -19.724 1.00 0.00 N ATOM 899 CA ALA A 88 8.553 -9.542 -19.318 1.00 0.00 C ATOM 900 C ALA A 88 8.771 -9.004 -17.900 1.00 0.00 C ATOM 901 O ALA A 88 8.320 -7.904 -17.561 1.00 0.00 O ATOM 902 CB ALA A 88 7.274 -10.380 -19.364 1.00 0.00 C ATOM 0 H ALA A 88 9.467 -11.301 -20.016 1.00 0.00 H new ATOM 0 HA ALA A 88 8.453 -8.703 -20.006 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.426 -9.767 -19.059 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.113 -10.743 -20.379 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.370 -11.229 -18.687 1.00 0.00 H new ATOM 908 N PHE A 89 9.484 -9.784 -17.089 1.00 0.00 N ATOM 909 CA PHE A 89 9.787 -9.402 -15.712 1.00 0.00 C ATOM 910 C PHE A 89 10.665 -8.154 -15.644 1.00 0.00 C ATOM 911 O PHE A 89 10.448 -7.280 -14.807 1.00 0.00 O ATOM 912 CB PHE A 89 10.514 -10.558 -15.020 1.00 0.00 C ATOM 913 CG PHE A 89 11.267 -10.034 -13.823 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.576 -9.459 -12.751 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.665 -10.115 -13.791 1.00 0.00 C ATOM 916 CE1 PHE A 89 11.282 -8.967 -11.645 1.00 0.00 C ATOM 917 CE2 PHE A 89 13.371 -9.622 -12.687 1.00 0.00 C ATOM 918 CZ PHE A 89 12.679 -9.047 -11.614 1.00 0.00 C ATOM 0 H PHE A 89 9.864 -10.689 -17.365 1.00 0.00 H new ATOM 0 HA PHE A 89 8.844 -9.179 -15.213 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.797 -11.318 -14.708 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.203 -11.037 -15.716 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.498 -9.394 -12.776 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.199 -10.558 -14.619 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.748 -8.526 -10.816 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.449 -9.685 -12.663 1.00 0.00 H new ATOM 0 HZ PHE A 89 13.223 -8.665 -10.763 1.00 0.00 H new ATOM 928 N LYS A 90 11.670 -8.090 -16.509 1.00 0.00 N ATOM 929 CA LYS A 90 12.587 -6.953 -16.498 1.00 0.00 C ATOM 930 C LYS A 90 11.870 -5.671 -16.899 1.00 0.00 C ATOM 931 O LYS A 90 12.090 -4.615 -16.305 1.00 0.00 O ATOM 932 CB LYS A 90 13.778 -7.198 -17.441 1.00 0.00 C ATOM 933 CG LYS A 90 13.508 -6.606 -18.833 1.00 0.00 C ATOM 934 CD LYS A 90 14.749 -6.787 -19.709 1.00 0.00 C ATOM 935 CE LYS A 90 15.027 -8.275 -19.897 1.00 0.00 C ATOM 936 NZ LYS A 90 15.855 -8.475 -21.119 1.00 0.00 N ATOM 0 H LYS A 90 11.870 -8.798 -17.216 1.00 0.00 H new ATOM 0 HA LYS A 90 12.961 -6.843 -15.480 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.678 -6.750 -17.020 1.00 0.00 H new ATOM 0 HB3 LYS A 90 13.964 -8.268 -17.527 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.651 -7.100 -19.291 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.259 -5.548 -18.749 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.597 -6.310 -20.677 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.608 -6.301 -19.246 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.546 -8.672 -19.024 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.089 -8.823 -19.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.740 -9.450 -21.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.549 -7.811 -21.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.855 -8.304 -20.892 1.00 0.00 H new ATOM 950 N ILE A 91 11.019 -5.762 -17.918 1.00 0.00 N ATOM 951 CA ILE A 91 10.288 -4.597 -18.403 1.00 0.00 C ATOM 952 C ILE A 91 9.439 -3.970 -17.301 1.00 0.00 C ATOM 953 O ILE A 91 9.489 -2.758 -17.080 1.00 0.00 O ATOM 954 CB ILE A 91 9.389 -5.006 -19.570 1.00 0.00 C ATOM 955 CG1 ILE A 91 10.252 -5.566 -20.701 1.00 0.00 C ATOM 956 CG2 ILE A 91 8.618 -3.787 -20.078 1.00 0.00 C ATOM 957 CD1 ILE A 91 9.348 -6.094 -21.814 1.00 0.00 C ATOM 0 H ILE A 91 10.820 -6.627 -18.421 1.00 0.00 H new ATOM 0 HA ILE A 91 11.016 -3.855 -18.733 1.00 0.00 H new ATOM 0 HB ILE A 91 8.684 -5.766 -19.234 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.911 -4.789 -21.090 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.890 -6.366 -20.325 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.978 -4.082 -20.910 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.004 -3.384 -19.273 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.322 -3.025 -20.414 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.961 -6.494 -22.622 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.708 -6.883 -21.419 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.729 -5.282 -22.196 1.00 0.00 H new ATOM 969 N MET A 92 8.657 -4.792 -16.609 1.00 0.00 N ATOM 970 CA MET A 92 7.808 -4.279 -15.543 1.00 0.00 C ATOM 971 C MET A 92 8.644 -3.861 -14.342 1.00 0.00 C ATOM 972 O MET A 92 8.301 -2.912 -13.638 1.00 0.00 O ATOM 973 CB MET A 92 6.785 -5.328 -15.129 1.00 0.00 C ATOM 974 CG MET A 92 5.800 -5.542 -16.276 1.00 0.00 C ATOM 975 SD MET A 92 4.234 -6.146 -15.613 1.00 0.00 S ATOM 976 CE MET A 92 3.565 -4.544 -15.099 1.00 0.00 C ATOM 0 H MET A 92 8.594 -5.798 -16.764 1.00 0.00 H new ATOM 0 HA MET A 92 7.281 -3.402 -15.919 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.285 -6.265 -14.882 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.255 -5.004 -14.233 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.644 -4.608 -16.815 1.00 0.00 H new ATOM 0 HG3 MET A 92 6.206 -6.258 -16.990 1.00 0.00 H new ATOM 0 HE1 MET A 92 3.122 -4.636 -14.107 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.367 -3.807 -15.071 1.00 0.00 H new ATOM 0 HE3 MET A 92 2.803 -4.223 -15.809 1.00 0.00 H new ATOM 986 N SER A 93 9.741 -4.570 -14.112 1.00 0.00 N ATOM 987 CA SER A 93 10.609 -4.251 -12.996 1.00 0.00 C ATOM 988 C SER A 93 11.120 -2.822 -13.123 1.00 0.00 C ATOM 989 O SER A 93 11.087 -2.054 -12.168 1.00 0.00 O ATOM 990 CB SER A 93 11.792 -5.214 -12.984 1.00 0.00 C ATOM 991 OG SER A 93 11.311 -6.546 -12.871 1.00 0.00 O ATOM 0 H SER A 93 10.045 -5.361 -14.679 1.00 0.00 H new ATOM 0 HA SER A 93 10.046 -4.346 -12.067 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.376 -5.102 -13.897 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.456 -4.983 -12.151 1.00 0.00 H new ATOM 0 HG SER A 93 11.134 -6.907 -13.765 1.00 0.00 H new ATOM 997 N GLN A 94 11.554 -2.472 -14.321 1.00 0.00 N ATOM 998 CA GLN A 94 12.042 -1.124 -14.591 1.00 0.00 C ATOM 999 C GLN A 94 10.916 -0.094 -14.460 1.00 0.00 C ATOM 1000 O GLN A 94 11.136 1.035 -14.018 1.00 0.00 O ATOM 1001 CB GLN A 94 12.607 -1.064 -16.011 1.00 0.00 C ATOM 1002 CG GLN A 94 13.887 -1.897 -16.108 1.00 0.00 C ATOM 1003 CD GLN A 94 14.285 -2.046 -17.574 1.00 0.00 C ATOM 1004 OE1 GLN A 94 13.465 -1.812 -18.460 1.00 0.00 O ATOM 1005 NE2 GLN A 94 15.494 -2.432 -17.888 1.00 0.00 N ATOM 0 H GLN A 94 11.580 -3.100 -15.125 1.00 0.00 H new ATOM 0 HA GLN A 94 12.818 -0.889 -13.862 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.868 -1.437 -16.720 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.817 -0.030 -16.283 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.690 -1.417 -15.549 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.730 -2.879 -15.661 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.174 -2.626 -17.153 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.757 -2.539 -18.868 1.00 0.00 H new ATOM 1014 N ARG A 95 9.725 -0.493 -14.898 1.00 0.00 N ATOM 1015 CA ARG A 95 8.547 0.386 -14.894 1.00 0.00 C ATOM 1016 C ARG A 95 7.891 0.579 -13.519 1.00 0.00 C ATOM 1017 O ARG A 95 7.352 1.651 -13.245 1.00 0.00 O ATOM 1018 CB ARG A 95 7.505 -0.178 -15.861 1.00 0.00 C ATOM 1019 CG ARG A 95 8.045 -0.095 -17.287 1.00 0.00 C ATOM 1020 CD ARG A 95 7.082 -0.794 -18.247 1.00 0.00 C ATOM 1021 NE ARG A 95 7.646 -0.798 -19.593 1.00 0.00 N ATOM 1022 CZ ARG A 95 7.596 0.288 -20.356 1.00 0.00 C ATOM 1023 NH1 ARG A 95 6.957 1.347 -19.939 1.00 0.00 N ATOM 1024 NH2 ARG A 95 8.166 0.288 -21.531 1.00 0.00 N ATOM 0 H ARG A 95 9.544 -1.428 -15.265 1.00 0.00 H new ATOM 0 HA ARG A 95 8.906 1.369 -15.198 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.277 -1.213 -15.606 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.574 0.383 -15.779 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.170 0.948 -17.578 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.029 -0.561 -17.341 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.901 -1.816 -17.915 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.119 -0.283 -18.247 1.00 0.00 H new ATOM 0 HE ARG A 95 8.084 -1.646 -19.953 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.497 1.340 -19.029 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.918 2.182 -20.524 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.650 -0.546 -21.863 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.127 1.122 -22.117 1.00 0.00 H new ATOM 1038 N CYS A 96 7.878 -0.453 -12.675 1.00 0.00 N ATOM 1039 CA CYS A 96 7.208 -0.331 -11.374 1.00 0.00 C ATOM 1040 C CYS A 96 8.168 -0.287 -10.181 1.00 0.00 C ATOM 1041 O CYS A 96 7.790 0.170 -9.103 1.00 0.00 O ATOM 1042 CB CYS A 96 6.235 -1.497 -11.178 1.00 0.00 C ATOM 1043 SG CYS A 96 5.075 -1.565 -12.566 1.00 0.00 S ATOM 0 H CYS A 96 8.309 -1.359 -12.857 1.00 0.00 H new ATOM 0 HA CYS A 96 6.684 0.624 -11.398 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.786 -2.435 -11.106 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.690 -1.375 -10.242 1.00 0.00 H new ATOM 1048 N ASN A 97 9.387 -0.782 -10.345 1.00 0.00 N ATOM 1049 CA ASN A 97 10.326 -0.798 -9.228 1.00 0.00 C ATOM 1050 C ASN A 97 10.564 0.597 -8.654 1.00 0.00 C ATOM 1051 O ASN A 97 10.795 1.561 -9.385 1.00 0.00 O ATOM 1052 CB ASN A 97 11.664 -1.400 -9.659 1.00 0.00 C ATOM 1053 CG ASN A 97 11.515 -2.902 -9.874 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.451 -3.463 -9.618 1.00 0.00 O ATOM 1055 ND2 ASN A 97 12.528 -3.596 -10.318 1.00 0.00 N ATOM 0 H ASN A 97 9.745 -1.170 -11.218 1.00 0.00 H new ATOM 0 HA ASN A 97 9.877 -1.414 -8.449 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.007 -0.925 -10.578 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.421 -1.206 -8.899 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.437 -4.603 -10.452 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.411 -3.131 -10.530 1.00 0.00 H new ATOM 1062 N ASN A 98 10.523 0.671 -7.325 1.00 0.00 N ATOM 1063 CA ASN A 98 10.753 1.916 -6.592 1.00 0.00 C ATOM 1064 C ASN A 98 9.646 2.940 -6.806 1.00 0.00 C ATOM 1065 O ASN A 98 9.792 4.100 -6.420 1.00 0.00 O ATOM 1066 CB ASN A 98 12.103 2.528 -6.965 1.00 0.00 C ATOM 1067 CG ASN A 98 13.216 1.681 -6.366 1.00 0.00 C ATOM 1068 OD1 ASN A 98 12.954 0.631 -5.781 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.455 2.139 -6.493 1.00 0.00 N ATOM 0 H ASN A 98 10.329 -0.131 -6.725 1.00 0.00 H new ATOM 0 HA ASN A 98 10.754 1.651 -5.535 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.208 2.575 -8.049 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.168 3.551 -6.594 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.627 3.015 -6.986 1.00 0.00 H new ATOM 1075 N ARG A 99 8.532 2.521 -7.383 1.00 0.00 N ATOM 1076 CA ARG A 99 7.426 3.443 -7.581 1.00 0.00 C ATOM 1077 C ARG A 99 6.244 3.034 -6.726 1.00 0.00 C ATOM 1078 O ARG A 99 6.002 1.847 -6.501 1.00 0.00 O ATOM 1079 CB ARG A 99 7.005 3.504 -9.046 1.00 0.00 C ATOM 1080 CG ARG A 99 8.089 4.222 -9.846 1.00 0.00 C ATOM 1081 CD ARG A 99 7.627 4.397 -11.293 1.00 0.00 C ATOM 1082 NE ARG A 99 8.724 4.896 -12.119 1.00 0.00 N ATOM 1083 CZ ARG A 99 8.556 5.919 -12.955 1.00 0.00 C ATOM 1084 NH1 ARG A 99 7.398 6.518 -13.043 1.00 0.00 N ATOM 1085 NH2 ARG A 99 9.555 6.326 -13.693 1.00 0.00 N ATOM 0 H ARG A 99 8.370 1.571 -7.716 1.00 0.00 H new ATOM 0 HA ARG A 99 7.765 4.435 -7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.854 2.498 -9.436 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.055 4.030 -9.143 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.300 5.194 -9.401 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.016 3.650 -9.816 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.271 3.445 -11.686 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.788 5.092 -11.332 1.00 0.00 H new ATOM 0 HE ARG A 99 9.639 4.451 -12.054 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.616 6.203 -12.469 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.276 7.301 -13.685 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.460 5.860 -13.628 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.429 7.109 -14.334 1.00 0.00 H new ATOM 1099 N THR A 100 5.506 4.024 -6.264 1.00 0.00 N ATOM 1100 CA THR A 100 4.340 3.767 -5.444 1.00 0.00 C ATOM 1101 C THR A 100 3.216 3.218 -6.317 1.00 0.00 C ATOM 1102 O THR A 100 2.381 2.442 -5.856 1.00 0.00 O ATOM 1103 CB THR A 100 3.913 5.060 -4.754 1.00 0.00 C ATOM 1104 OG1 THR A 100 5.048 5.659 -4.144 1.00 0.00 O ATOM 1105 CG2 THR A 100 2.866 4.750 -3.683 1.00 0.00 C ATOM 0 H THR A 100 5.693 5.011 -6.442 1.00 0.00 H new ATOM 0 HA THR A 100 4.576 3.027 -4.679 1.00 0.00 H new ATOM 0 HB THR A 100 3.485 5.742 -5.489 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.780 6.491 -3.701 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.563 5.675 -3.192 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.997 4.284 -4.148 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.291 4.070 -2.945 1.00 0.00 H new ATOM 1113 N GLN A 101 3.226 3.610 -7.589 1.00 0.00 N ATOM 1114 CA GLN A 101 2.224 3.133 -8.534 1.00 0.00 C ATOM 1115 C GLN A 101 2.789 3.123 -9.953 1.00 0.00 C ATOM 1116 O GLN A 101 3.691 3.893 -10.278 1.00 0.00 O ATOM 1117 CB GLN A 101 0.972 4.010 -8.482 1.00 0.00 C ATOM 1118 CG GLN A 101 1.250 5.357 -9.145 1.00 0.00 C ATOM 1119 CD GLN A 101 0.630 5.386 -10.537 1.00 0.00 C ATOM 1120 OE1 GLN A 101 -0.583 4.942 -10.703 1.00 0.00 O flip ATOM 1121 NE2 GLN A 101 1.269 5.819 -11.496 1.00 0.00 N flip ATOM 0 H GLN A 101 3.912 4.252 -7.985 1.00 0.00 H new ATOM 0 HA GLN A 101 1.952 2.115 -8.253 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.146 3.510 -8.988 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.667 4.161 -7.447 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.839 6.163 -8.537 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.325 5.524 -9.212 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.219 6.166 -11.361 1.00 0.00 H new ATOM 0 HE22 GLN A 101 0.849 5.831 -12.425 1.00 0.00 H new ATOM 1130 N CYS A 102 2.260 2.235 -10.790 1.00 0.00 N ATOM 1131 CA CYS A 102 2.736 2.133 -12.166 1.00 0.00 C ATOM 1132 C CYS A 102 1.656 1.585 -13.099 1.00 0.00 C ATOM 1133 O CYS A 102 0.886 0.700 -12.725 1.00 0.00 O ATOM 1134 CB CYS A 102 3.970 1.227 -12.206 1.00 0.00 C ATOM 1135 SG CYS A 102 3.476 -0.496 -11.943 1.00 0.00 S ATOM 0 H CYS A 102 1.513 1.585 -10.545 1.00 0.00 H new ATOM 0 HA CYS A 102 2.994 3.133 -12.514 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.475 1.327 -13.167 1.00 0.00 H new ATOM 0 HB3 CYS A 102 4.681 1.532 -11.439 1.00 0.00 H new ATOM 1140 N VAL A 103 1.614 2.113 -14.324 1.00 0.00 N ATOM 1141 CA VAL A 103 0.635 1.667 -15.313 1.00 0.00 C ATOM 1142 C VAL A 103 1.351 1.194 -16.578 1.00 0.00 C ATOM 1143 O VAL A 103 2.163 1.924 -17.149 1.00 0.00 O ATOM 1144 CB VAL A 103 -0.316 2.816 -15.651 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.497 2.289 -16.470 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -0.832 3.433 -14.349 1.00 0.00 C ATOM 0 H VAL A 103 2.243 2.846 -14.652 1.00 0.00 H new ATOM 0 HA VAL A 103 0.061 0.837 -14.900 1.00 0.00 H new ATOM 0 HB VAL A 103 0.213 3.569 -16.235 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.171 3.112 -16.708 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.129 1.843 -17.394 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.033 1.536 -15.892 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.511 4.254 -14.579 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.361 2.675 -13.772 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.009 3.810 -13.767 1.00 0.00 H new ATOM 1156 N VAL A 104 1.055 -0.032 -17.006 1.00 0.00 N ATOM 1157 CA VAL A 104 1.689 -0.590 -18.198 1.00 0.00 C ATOM 1158 C VAL A 104 0.687 -1.359 -19.052 1.00 0.00 C ATOM 1159 O VAL A 104 -0.233 -1.991 -18.531 1.00 0.00 O ATOM 1160 CB VAL A 104 2.818 -1.538 -17.796 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.542 -2.019 -19.056 1.00 0.00 C ATOM 1162 CG2 VAL A 104 3.805 -0.807 -16.885 1.00 0.00 C ATOM 0 H VAL A 104 0.386 -0.653 -16.550 1.00 0.00 H new ATOM 0 HA VAL A 104 2.084 0.243 -18.780 1.00 0.00 H new ATOM 0 HB VAL A 104 2.404 -2.393 -17.261 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.349 -2.696 -18.776 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.838 -2.542 -19.703 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.955 -1.162 -19.588 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.609 -1.486 -16.600 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.224 0.049 -17.414 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.287 -0.462 -15.990 1.00 0.00 H new ATOM 1172 N VAL A 105 0.883 -1.319 -20.367 1.00 0.00 N ATOM 1173 CA VAL A 105 0.004 -2.042 -21.272 1.00 0.00 C ATOM 1174 C VAL A 105 0.383 -3.519 -21.282 1.00 0.00 C ATOM 1175 O VAL A 105 1.475 -3.882 -21.719 1.00 0.00 O ATOM 1176 CB VAL A 105 0.104 -1.470 -22.686 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -0.696 -2.350 -23.646 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.469 -0.051 -22.701 1.00 0.00 C ATOM 0 H VAL A 105 1.634 -0.800 -20.822 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.024 -1.933 -20.926 1.00 0.00 H new ATOM 0 HB VAL A 105 1.148 -1.445 -22.997 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.626 -1.944 -24.655 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.293 -3.363 -23.633 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.740 -2.372 -23.335 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.399 0.359 -23.708 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.514 -0.077 -22.392 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.097 0.577 -22.013 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.512 -4.365 -20.780 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.244 -5.799 -20.718 1.00 0.00 C ATOM 1190 C ALA A 106 -0.264 -6.435 -22.107 1.00 0.00 C ATOM 1191 O ALA A 106 -0.811 -7.521 -22.296 1.00 0.00 O ATOM 1192 CB ALA A 106 -1.279 -6.485 -19.820 1.00 0.00 C ATOM 0 H ALA A 106 -1.422 -4.086 -20.413 1.00 0.00 H new ATOM 0 HA ALA A 106 0.753 -5.934 -20.300 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.073 -7.555 -19.779 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.224 -6.066 -18.815 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.277 -6.324 -20.226 1.00 0.00 H new ATOM 1198 N GLY A 107 0.333 -5.754 -23.080 1.00 0.00 N ATOM 1199 CA GLY A 107 0.373 -6.269 -24.444 1.00 0.00 C ATOM 1200 C GLY A 107 1.046 -5.279 -25.391 1.00 0.00 C ATOM 1201 O GLY A 107 2.198 -4.896 -25.193 1.00 0.00 O ATOM 0 H GLY A 107 0.792 -4.852 -22.951 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.912 -7.216 -24.462 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.641 -6.473 -24.788 1.00 0.00 H new ATOM 1205 N SER A 108 0.304 -4.871 -26.416 1.00 0.00 N ATOM 1206 CA SER A 108 0.805 -3.922 -27.409 1.00 0.00 C ATOM 1207 C SER A 108 2.321 -4.002 -27.558 1.00 0.00 C ATOM 1208 O SER A 108 2.938 -5.025 -27.259 1.00 0.00 O ATOM 1209 CB SER A 108 0.417 -2.499 -27.008 1.00 0.00 C ATOM 1210 OG SER A 108 0.471 -1.657 -28.153 1.00 0.00 O ATOM 0 H SER A 108 -0.652 -5.184 -26.583 1.00 0.00 H new ATOM 0 HA SER A 108 0.354 -4.182 -28.367 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.586 -2.490 -26.582 1.00 0.00 H new ATOM 0 HB3 SER A 108 1.093 -2.129 -26.238 1.00 0.00 H new ATOM 0 HG SER A 108 0.221 -0.744 -27.900 1.00 0.00 H new ATOM 1216 N ASP A 109 2.905 -2.916 -28.052 1.00 0.00 N ATOM 1217 CA ASP A 109 4.344 -2.853 -28.274 1.00 0.00 C ATOM 1218 C ASP A 109 5.107 -2.877 -26.953 1.00 0.00 C ATOM 1219 O ASP A 109 6.336 -2.802 -26.937 1.00 0.00 O ATOM 1220 CB ASP A 109 4.691 -1.580 -29.050 1.00 0.00 C ATOM 1221 CG ASP A 109 4.082 -1.641 -30.448 1.00 0.00 C ATOM 1222 OD1 ASP A 109 3.220 -2.476 -30.661 1.00 0.00 O ATOM 1223 OD2 ASP A 109 4.497 -0.860 -31.289 1.00 0.00 O ATOM 0 H ASP A 109 2.402 -2.066 -28.307 1.00 0.00 H new ATOM 0 HA ASP A 109 4.639 -3.728 -28.853 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.315 -0.706 -28.518 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.773 -1.470 -29.120 1.00 0.00 H new ATOM 1228 N ALA A 110 4.378 -2.974 -25.846 1.00 0.00 N ATOM 1229 CA ALA A 110 5.013 -3.004 -24.535 1.00 0.00 C ATOM 1230 C ALA A 110 5.440 -4.424 -24.183 1.00 0.00 C ATOM 1231 O ALA A 110 6.203 -4.636 -23.241 1.00 0.00 O ATOM 1232 CB ALA A 110 4.042 -2.487 -23.473 1.00 0.00 C ATOM 0 H ALA A 110 3.360 -3.032 -25.830 1.00 0.00 H new ATOM 0 HA ALA A 110 5.895 -2.365 -24.564 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.524 -2.513 -22.496 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.756 -1.462 -23.710 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.153 -3.117 -23.455 1.00 0.00 H new ATOM 1238 N PHE A 111 4.956 -5.393 -24.954 1.00 0.00 N ATOM 1239 CA PHE A 111 5.313 -6.786 -24.712 1.00 0.00 C ATOM 1240 C PHE A 111 5.435 -7.558 -26.030 1.00 0.00 C ATOM 1241 O PHE A 111 4.514 -7.551 -26.844 1.00 0.00 O ATOM 1242 CB PHE A 111 4.259 -7.471 -23.848 1.00 0.00 C ATOM 1243 CG PHE A 111 4.362 -6.979 -22.425 1.00 0.00 C ATOM 1244 CD1 PHE A 111 5.406 -7.429 -21.606 1.00 0.00 C ATOM 1245 CD2 PHE A 111 3.412 -6.085 -21.921 1.00 0.00 C ATOM 1246 CE1 PHE A 111 5.498 -6.983 -20.282 1.00 0.00 C ATOM 1247 CE2 PHE A 111 3.503 -5.639 -20.596 1.00 0.00 C ATOM 1248 CZ PHE A 111 4.547 -6.088 -19.778 1.00 0.00 C ATOM 0 H PHE A 111 4.324 -5.243 -25.741 1.00 0.00 H new ATOM 0 HA PHE A 111 6.273 -6.789 -24.196 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.264 -7.265 -24.242 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.397 -8.552 -23.879 1.00 0.00 H new ATOM 0 HD1 PHE A 111 6.139 -8.119 -21.996 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.608 -5.738 -22.553 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.302 -7.329 -19.650 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.769 -4.950 -20.206 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.619 -5.743 -18.757 1.00 0.00 H new ATOM 1258 N PRO A 112 6.533 -8.242 -26.240 1.00 0.00 N ATOM 1259 CA PRO A 112 6.748 -9.056 -27.472 1.00 0.00 C ATOM 1260 C PRO A 112 5.580 -9.991 -27.761 1.00 0.00 C ATOM 1261 O PRO A 112 4.424 -9.672 -27.487 1.00 0.00 O ATOM 1262 CB PRO A 112 7.995 -9.882 -27.160 1.00 0.00 C ATOM 1263 CG PRO A 112 8.723 -9.140 -26.095 1.00 0.00 C ATOM 1264 CD PRO A 112 7.693 -8.302 -25.338 1.00 0.00 C ATOM 0 HA PRO A 112 6.847 -8.419 -28.351 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.726 -10.883 -26.823 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.617 -10.000 -28.048 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.226 -9.832 -25.420 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.493 -8.502 -26.529 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.431 -8.761 -24.385 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.076 -7.306 -25.118 1.00 0.00 H new ATOM 1272 N ASP A 113 5.901 -11.148 -28.330 1.00 0.00 N ATOM 1273 CA ASP A 113 4.893 -12.139 -28.679 1.00 0.00 C ATOM 1274 C ASP A 113 5.437 -13.544 -28.427 1.00 0.00 C ATOM 1275 O ASP A 113 5.968 -14.184 -29.335 1.00 0.00 O ATOM 1276 CB ASP A 113 4.532 -11.993 -30.159 1.00 0.00 C ATOM 1277 CG ASP A 113 3.258 -12.768 -30.477 1.00 0.00 C ATOM 1278 OD1 ASP A 113 3.063 -13.819 -29.888 1.00 0.00 O ATOM 1279 OD2 ASP A 113 2.497 -12.300 -31.307 1.00 0.00 O ATOM 0 H ASP A 113 6.856 -11.422 -28.560 1.00 0.00 H new ATOM 0 HA ASP A 113 4.006 -11.982 -28.065 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.395 -10.940 -30.404 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.352 -12.360 -30.777 1.00 0.00 H new ATOM 1284 N PRO A 114 5.337 -14.022 -27.211 1.00 0.00 N ATOM 1285 CA PRO A 114 5.852 -15.373 -26.826 1.00 0.00 C ATOM 1286 C PRO A 114 4.928 -16.514 -27.238 1.00 0.00 C ATOM 1287 O PRO A 114 5.273 -17.683 -27.076 1.00 0.00 O ATOM 1288 CB PRO A 114 5.938 -15.280 -25.309 1.00 0.00 C ATOM 1289 CG PRO A 114 4.833 -14.354 -24.928 1.00 0.00 C ATOM 1290 CD PRO A 114 4.725 -13.331 -26.060 1.00 0.00 C ATOM 0 HA PRO A 114 6.796 -15.601 -27.321 1.00 0.00 H new ATOM 0 HB2 PRO A 114 5.814 -16.258 -24.844 1.00 0.00 H new ATOM 0 HB3 PRO A 114 6.906 -14.895 -24.989 1.00 0.00 H new ATOM 0 HG2 PRO A 114 3.896 -14.897 -24.803 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.046 -13.863 -23.978 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.688 -13.061 -26.259 1.00 0.00 H new ATOM 0 HD3 PRO A 114 5.253 -12.409 -25.819 1.00 0.00 H new ATOM 1298 N CYS A 115 3.762 -16.178 -27.767 1.00 0.00 N ATOM 1299 CA CYS A 115 2.818 -17.206 -28.191 1.00 0.00 C ATOM 1300 C CYS A 115 1.733 -16.629 -29.096 1.00 0.00 C ATOM 1301 O CYS A 115 0.564 -16.515 -28.712 1.00 0.00 O ATOM 1302 CB CYS A 115 2.190 -17.893 -26.971 1.00 0.00 C ATOM 1303 SG CYS A 115 1.898 -16.690 -25.651 1.00 0.00 S ATOM 0 H CYS A 115 3.448 -15.219 -27.912 1.00 0.00 H new ATOM 0 HA CYS A 115 3.371 -17.948 -28.767 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.250 -18.366 -27.256 1.00 0.00 H new ATOM 0 HB3 CYS A 115 2.849 -18.684 -26.612 1.00 0.00 H new ATOM 1308 N PRO A 116 2.102 -16.285 -30.303 1.00 0.00 N ATOM 1309 CA PRO A 116 1.150 -15.730 -31.298 1.00 0.00 C ATOM 1310 C PRO A 116 -0.004 -16.699 -31.535 1.00 0.00 C ATOM 1311 O PRO A 116 0.205 -17.910 -31.604 1.00 0.00 O ATOM 1312 CB PRO A 116 1.982 -15.549 -32.575 1.00 0.00 C ATOM 1313 CG PRO A 116 3.417 -15.628 -32.158 1.00 0.00 C ATOM 1314 CD PRO A 116 3.466 -16.396 -30.838 1.00 0.00 C ATOM 0 HA PRO A 116 0.702 -14.794 -30.965 1.00 0.00 H new ATOM 0 HB2 PRO A 116 1.746 -16.323 -33.305 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.767 -14.590 -33.046 1.00 0.00 H new ATOM 0 HG2 PRO A 116 4.011 -16.134 -32.919 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.837 -14.630 -32.037 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.749 -17.437 -30.994 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.198 -15.966 -30.154 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.213 -16.172 -31.673 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.368 -17.024 -31.915 1.00 0.00 C ATOM 1324 C GLY A 117 -3.078 -17.405 -30.618 1.00 0.00 C ATOM 1325 O GLY A 117 -4.102 -18.085 -30.652 1.00 0.00 O ATOM 0 H GLY A 117 -1.418 -15.174 -31.623 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -3.067 -16.509 -32.573 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -2.049 -17.928 -32.433 1.00 0.00 H new ATOM 1329 N THR A 118 -2.543 -16.979 -29.475 1.00 0.00 N ATOM 1330 CA THR A 118 -3.157 -17.303 -28.192 1.00 0.00 C ATOM 1331 C THR A 118 -3.448 -16.023 -27.403 1.00 0.00 C ATOM 1332 O THR A 118 -2.682 -15.062 -27.473 1.00 0.00 O ATOM 1333 CB THR A 118 -2.203 -18.218 -27.407 1.00 0.00 C ATOM 1334 OG1 THR A 118 -2.155 -19.489 -28.039 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.671 -18.382 -25.962 1.00 0.00 C ATOM 0 H THR A 118 -1.695 -16.415 -29.412 1.00 0.00 H new ATOM 0 HA THR A 118 -4.104 -17.818 -28.355 1.00 0.00 H new ATOM 0 HB THR A 118 -1.211 -17.766 -27.396 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.547 -20.077 -27.545 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.980 -19.034 -25.427 1.00 0.00 H new ATOM 0 HG22 THR A 118 -2.700 -17.407 -25.476 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.668 -18.823 -25.950 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.537 -16.016 -26.625 1.00 0.00 N ATOM 1344 CA TYR A 119 -4.859 -14.843 -25.824 1.00 0.00 C ATOM 1345 C TYR A 119 -4.012 -14.920 -24.569 1.00 0.00 C ATOM 1346 O TYR A 119 -4.092 -15.882 -23.805 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.354 -14.801 -25.479 1.00 0.00 C ATOM 1348 CG TYR A 119 -6.716 -13.435 -24.936 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.524 -12.291 -25.721 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -7.243 -13.314 -23.644 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -6.859 -11.027 -25.215 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -7.579 -12.052 -23.139 1.00 0.00 C ATOM 1353 CZ TYR A 119 -7.384 -10.907 -23.922 1.00 0.00 C ATOM 1354 OH TYR A 119 -7.710 -9.661 -23.424 1.00 0.00 O ATOM 0 H TYR A 119 -5.193 -16.793 -26.537 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.645 -13.929 -26.378 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.948 -15.019 -26.367 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.588 -15.569 -24.742 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.117 -12.383 -26.717 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -7.390 -14.195 -23.037 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -6.712 -10.146 -25.822 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.989 -11.961 -22.144 1.00 0.00 H new ATOM 0 HH TYR A 119 -7.072 -8.997 -23.760 1.00 0.00 H new ATOM 1364 N LYS A 120 -3.131 -13.952 -24.418 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.189 -13.966 -23.318 1.00 0.00 C ATOM 1366 C LYS A 120 -2.697 -13.269 -22.053 1.00 0.00 C ATOM 1367 O LYS A 120 -3.872 -12.922 -21.907 1.00 0.00 O ATOM 1368 CB LYS A 120 -0.891 -13.307 -23.792 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.402 -14.018 -25.055 1.00 0.00 C ATOM 1370 CD LYS A 120 0.860 -13.329 -25.579 1.00 0.00 C ATOM 1371 CE LYS A 120 1.197 -13.879 -26.966 1.00 0.00 C ATOM 1372 NZ LYS A 120 1.533 -12.758 -27.890 1.00 0.00 N ATOM 0 H LYS A 120 -3.048 -13.148 -25.041 1.00 0.00 H new ATOM 0 HA LYS A 120 -2.033 -15.007 -23.036 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.059 -12.250 -23.997 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.133 -13.364 -23.011 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.192 -15.065 -24.836 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.180 -14.001 -25.818 1.00 0.00 H new ATOM 0 HD2 LYS A 120 0.705 -12.251 -25.630 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.692 -13.499 -24.896 1.00 0.00 H new ATOM 0 HE2 LYS A 120 2.037 -14.570 -26.898 1.00 0.00 H new ATOM 0 HE3 LYS A 120 0.351 -14.444 -27.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 2.364 -13.015 -28.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 0.726 -12.573 -28.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 1.744 -11.903 -27.336 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.736 -13.034 -21.181 1.00 0.00 N ATOM 1387 CA TYR A 121 -1.977 -12.334 -19.926 1.00 0.00 C ATOM 1388 C TYR A 121 -0.672 -11.936 -19.261 1.00 0.00 C ATOM 1389 O TYR A 121 0.406 -12.371 -19.666 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.869 -13.159 -18.976 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.203 -14.443 -18.524 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -1.083 -14.409 -17.683 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.740 -15.673 -18.922 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.499 -15.608 -17.249 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -2.159 -16.869 -18.484 1.00 0.00 C ATOM 1396 CZ TYR A 121 -1.038 -16.836 -17.648 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.466 -18.015 -17.215 1.00 0.00 O ATOM 0 H TYR A 121 -0.767 -13.321 -21.318 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.520 -11.419 -20.160 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.119 -12.556 -18.103 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.807 -13.397 -19.478 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.670 -13.461 -17.370 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.605 -15.699 -19.569 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.368 -15.583 -16.606 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.576 -17.817 -18.791 1.00 0.00 H new ATOM 0 HH TYR A 121 0.468 -17.854 -16.967 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.778 -11.111 -18.232 1.00 0.00 N ATOM 1408 CA LEU A 122 0.394 -10.657 -17.509 1.00 0.00 C ATOM 1409 C LEU A 122 0.182 -10.850 -16.019 1.00 0.00 C ATOM 1410 O LEU A 122 -0.772 -10.324 -15.446 1.00 0.00 O ATOM 1411 CB LEU A 122 0.643 -9.179 -17.809 1.00 0.00 C ATOM 1412 CG LEU A 122 1.815 -8.663 -16.969 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.095 -9.414 -17.344 1.00 0.00 C ATOM 1414 CD2 LEU A 122 2.008 -7.170 -17.244 1.00 0.00 C ATOM 0 H LEU A 122 -1.662 -10.744 -17.881 1.00 0.00 H new ATOM 0 HA LEU A 122 1.260 -11.238 -17.826 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.859 -9.046 -18.869 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.254 -8.599 -17.591 1.00 0.00 H new ATOM 0 HG LEU A 122 1.601 -8.824 -15.912 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.925 -9.042 -16.743 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.960 -10.479 -17.156 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.313 -9.256 -18.400 1.00 0.00 H new ATOM 0 HD21 LEU A 122 2.841 -6.795 -16.649 1.00 0.00 H new ATOM 0 HD22 LEU A 122 2.221 -7.020 -18.302 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.100 -6.630 -16.977 1.00 0.00 H new ATOM 1426 N GLU A 123 1.078 -11.598 -15.397 1.00 0.00 N ATOM 1427 CA GLU A 123 0.976 -11.849 -13.969 1.00 0.00 C ATOM 1428 C GLU A 123 2.202 -11.276 -13.275 1.00 0.00 C ATOM 1429 O GLU A 123 3.329 -11.527 -13.696 1.00 0.00 O ATOM 1430 CB GLU A 123 0.880 -13.352 -13.718 1.00 0.00 C ATOM 1431 CG GLU A 123 0.574 -13.603 -12.243 1.00 0.00 C ATOM 1432 CD GLU A 123 0.618 -15.097 -11.953 1.00 0.00 C ATOM 1433 OE1 GLU A 123 1.151 -15.825 -12.774 1.00 0.00 O ATOM 1434 OE2 GLU A 123 0.112 -15.493 -10.916 1.00 0.00 O ATOM 0 H GLU A 123 1.877 -12.038 -15.853 1.00 0.00 H new ATOM 0 HA GLU A 123 0.081 -11.371 -13.571 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.099 -13.787 -14.342 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.816 -13.838 -13.994 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.298 -13.081 -11.618 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.409 -13.204 -11.993 1.00 0.00 H new ATOM 1441 N VAL A 124 1.984 -10.463 -12.242 1.00 0.00 N ATOM 1442 CA VAL A 124 3.114 -9.831 -11.563 1.00 0.00 C ATOM 1443 C VAL A 124 3.037 -9.915 -10.038 1.00 0.00 C ATOM 1444 O VAL A 124 2.058 -9.485 -9.429 1.00 0.00 O ATOM 1445 CB VAL A 124 3.163 -8.350 -11.951 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.393 -7.691 -11.320 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.238 -8.208 -13.474 1.00 0.00 C ATOM 0 H VAL A 124 1.065 -10.231 -11.866 1.00 0.00 H new ATOM 0 HA VAL A 124 4.006 -10.372 -11.878 1.00 0.00 H new ATOM 0 HB VAL A 124 2.259 -7.861 -11.588 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.424 -6.638 -11.598 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.336 -7.778 -10.235 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.295 -8.188 -11.677 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.272 -7.151 -13.740 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.136 -8.704 -13.842 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.359 -8.667 -13.926 1.00 0.00 H new ATOM 1457 N GLN A 125 4.095 -10.455 -9.425 1.00 0.00 N ATOM 1458 CA GLN A 125 4.162 -10.563 -7.973 1.00 0.00 C ATOM 1459 C GLN A 125 5.194 -9.574 -7.433 1.00 0.00 C ATOM 1460 O GLN A 125 6.326 -9.525 -7.915 1.00 0.00 O ATOM 1461 CB GLN A 125 4.570 -11.983 -7.575 1.00 0.00 C ATOM 1462 CG GLN A 125 3.469 -12.963 -7.973 1.00 0.00 C ATOM 1463 CD GLN A 125 3.920 -13.790 -9.173 1.00 0.00 C ATOM 1464 OE1 GLN A 125 3.391 -13.565 -10.347 1.00 0.00 O flip ATOM 1465 NE2 GLN A 125 4.783 -14.657 -9.041 1.00 0.00 N flip ATOM 0 H GLN A 125 4.912 -10.822 -9.914 1.00 0.00 H new ATOM 0 HA GLN A 125 3.181 -10.337 -7.554 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.506 -12.254 -8.064 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.745 -12.034 -6.500 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.234 -13.620 -7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.557 -12.419 -8.217 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.195 -14.831 -8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 125 5.087 -15.201 -9.848 1.00 0.00 H new ATOM 1474 N TYR A 126 4.794 -8.773 -6.453 1.00 0.00 N ATOM 1475 CA TYR A 126 5.702 -7.777 -5.887 1.00 0.00 C ATOM 1476 C TYR A 126 5.327 -7.422 -4.447 1.00 0.00 C ATOM 1477 O TYR A 126 4.261 -7.791 -3.956 1.00 0.00 O ATOM 1478 CB TYR A 126 5.666 -6.516 -6.749 1.00 0.00 C ATOM 1479 CG TYR A 126 4.387 -5.769 -6.481 1.00 0.00 C ATOM 1480 CD1 TYR A 126 3.238 -6.062 -7.227 1.00 0.00 C ATOM 1481 CD2 TYR A 126 4.340 -4.794 -5.481 1.00 0.00 C ATOM 1482 CE1 TYR A 126 2.046 -5.379 -6.972 1.00 0.00 C ATOM 1483 CE2 TYR A 126 3.148 -4.109 -5.230 1.00 0.00 C ATOM 1484 CZ TYR A 126 2.001 -4.402 -5.972 1.00 0.00 C ATOM 1485 OH TYR A 126 0.824 -3.729 -5.717 1.00 0.00 O ATOM 0 H TYR A 126 3.863 -8.790 -6.037 1.00 0.00 H new ATOM 0 HA TYR A 126 6.706 -8.201 -5.876 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.525 -5.883 -6.525 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.732 -6.781 -7.804 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.274 -6.816 -7.999 1.00 0.00 H new ATOM 0 HD2 TYR A 126 5.224 -4.570 -4.903 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.160 -5.605 -7.547 1.00 0.00 H new ATOM 0 HE2 TYR A 126 3.113 -3.352 -4.461 1.00 0.00 H new ATOM 0 HH TYR A 126 0.063 -4.311 -5.923 1.00 0.00 H new ATOM 1495 N ASP A 127 6.216 -6.688 -3.776 1.00 0.00 N ATOM 1496 CA ASP A 127 5.960 -6.282 -2.391 1.00 0.00 C ATOM 1497 C ASP A 127 6.019 -4.761 -2.247 1.00 0.00 C ATOM 1498 O ASP A 127 6.625 -4.076 -3.070 1.00 0.00 O ATOM 1499 CB ASP A 127 6.995 -6.904 -1.451 1.00 0.00 C ATOM 1500 CG ASP A 127 6.906 -8.425 -1.485 1.00 0.00 C ATOM 1501 OD1 ASP A 127 5.898 -8.932 -1.948 1.00 0.00 O ATOM 1502 OD2 ASP A 127 7.850 -9.061 -1.045 1.00 0.00 O ATOM 0 H ASP A 127 7.105 -6.367 -4.159 1.00 0.00 H new ATOM 0 HA ASP A 127 4.962 -6.631 -2.126 1.00 0.00 H new ATOM 0 HB2 ASP A 127 7.996 -6.586 -1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 127 6.831 -6.548 -0.434 1.00 0.00 H new ATOM 1507 N CYS A 128 5.402 -4.242 -1.182 1.00 0.00 N ATOM 1508 CA CYS A 128 5.416 -2.804 -0.929 1.00 0.00 C ATOM 1509 C CYS A 128 6.300 -2.499 0.275 1.00 0.00 C ATOM 1510 O CYS A 128 5.970 -2.858 1.405 1.00 0.00 O ATOM 1511 CB CYS A 128 3.998 -2.297 -0.652 1.00 0.00 C ATOM 1512 SG CYS A 128 2.979 -2.504 -2.132 1.00 0.00 S ATOM 0 H CYS A 128 4.893 -4.791 -0.490 1.00 0.00 H new ATOM 0 HA CYS A 128 5.810 -2.301 -1.812 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.561 -2.846 0.182 1.00 0.00 H new ATOM 0 HB3 CYS A 128 4.027 -1.247 -0.362 1.00 0.00 H new ATOM 1517 N VAL A 129 7.420 -1.837 0.028 1.00 0.00 N ATOM 1518 CA VAL A 129 8.339 -1.493 1.105 1.00 0.00 C ATOM 1519 C VAL A 129 8.519 0.023 1.161 1.00 0.00 C ATOM 1520 O VAL A 129 8.263 0.707 0.175 1.00 0.00 O ATOM 1521 CB VAL A 129 9.682 -2.179 0.864 1.00 0.00 C ATOM 1522 CG1 VAL A 129 9.443 -3.653 0.526 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.395 -1.497 -0.305 1.00 0.00 C ATOM 0 H VAL A 129 7.714 -1.529 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 129 7.933 -1.833 2.058 1.00 0.00 H new ATOM 0 HB VAL A 129 10.299 -2.106 1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 129 10.399 -4.146 0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 129 8.929 -4.138 1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 129 8.830 -3.726 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.354 -1.984 -0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 129 9.780 -1.574 -1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.560 -0.446 -0.068 1.00 0.00 H new ATOM 1533 N PRO A 130 8.944 0.563 2.278 1.00 0.00 N ATOM 1534 CA PRO A 130 9.141 2.036 2.417 1.00 0.00 C ATOM 1535 C PRO A 130 10.056 2.597 1.338 1.00 0.00 C ATOM 1536 O PRO A 130 10.994 1.933 0.896 1.00 0.00 O ATOM 1537 CB PRO A 130 9.779 2.208 3.797 1.00 0.00 C ATOM 1538 CG PRO A 130 9.464 0.961 4.553 1.00 0.00 C ATOM 1539 CD PRO A 130 9.280 -0.152 3.521 1.00 0.00 C ATOM 0 HA PRO A 130 8.199 2.574 2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.856 2.352 3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.378 3.085 4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.269 0.716 5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.560 1.089 5.148 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.188 -0.744 3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.486 -0.839 3.813 1.00 0.00 H new ATOM 1547 N TYR A 131 9.777 3.824 0.924 1.00 0.00 N ATOM 1548 CA TYR A 131 10.586 4.467 -0.099 1.00 0.00 C ATOM 1549 C TYR A 131 11.949 4.852 0.466 1.00 0.00 C ATOM 1550 O TYR A 131 12.942 4.891 -0.258 1.00 0.00 O ATOM 1551 CB TYR A 131 9.885 5.716 -0.643 1.00 0.00 C ATOM 1552 CG TYR A 131 10.777 6.375 -1.668 1.00 0.00 C ATOM 1553 CD1 TYR A 131 11.224 5.648 -2.779 1.00 0.00 C ATOM 1554 CD2 TYR A 131 11.165 7.708 -1.502 1.00 0.00 C ATOM 1555 CE1 TYR A 131 12.059 6.256 -3.723 1.00 0.00 C ATOM 1556 CE2 TYR A 131 11.999 8.317 -2.448 1.00 0.00 C ATOM 1557 CZ TYR A 131 12.446 7.591 -3.558 1.00 0.00 C ATOM 1558 OH TYR A 131 13.270 8.190 -4.489 1.00 0.00 O ATOM 0 H TYR A 131 9.005 4.389 1.277 1.00 0.00 H new ATOM 0 HA TYR A 131 10.722 3.757 -0.915 1.00 0.00 H new ATOM 0 HB2 TYR A 131 8.930 5.445 -1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 131 9.669 6.410 0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 131 10.924 4.618 -2.907 1.00 0.00 H new ATOM 0 HD2 TYR A 131 10.822 8.268 -0.645 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.405 5.695 -4.579 1.00 0.00 H new ATOM 0 HE2 TYR A 131 12.297 9.347 -2.321 1.00 0.00 H new ATOM 0 HH TYR A 131 13.441 9.118 -4.225 1.00 0.00 H new ATOM 1568 N LYS A 132 11.983 5.147 1.761 1.00 0.00 N ATOM 1569 CA LYS A 132 13.227 5.542 2.410 1.00 0.00 C ATOM 1570 C LYS A 132 13.886 4.359 3.116 1.00 0.00 C ATOM 1571 O LYS A 132 13.211 3.521 3.716 1.00 0.00 O ATOM 1572 CB LYS A 132 12.944 6.667 3.401 1.00 0.00 C ATOM 1573 CG LYS A 132 12.455 7.886 2.617 1.00 0.00 C ATOM 1574 CD LYS A 132 12.290 9.086 3.547 1.00 0.00 C ATOM 1575 CE LYS A 132 11.677 10.245 2.759 1.00 0.00 C ATOM 1576 NZ LYS A 132 11.887 11.519 3.499 1.00 0.00 N ATOM 0 H LYS A 132 11.171 5.121 2.377 1.00 0.00 H new ATOM 0 HA LYS A 132 13.922 5.895 1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 132 12.192 6.355 4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 132 13.845 6.913 3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 132 13.165 8.126 1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 132 11.505 7.659 2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 132 11.651 8.824 4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 132 13.256 9.379 3.958 1.00 0.00 H new ATOM 0 HE2 LYS A 132 12.133 10.307 1.771 1.00 0.00 H new ATOM 0 HE3 LYS A 132 10.611 10.072 2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 11.470 12.305 2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 11.432 11.457 4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 12.906 11.686 3.621 1.00 0.00 H new ATOM 1590 N VAL A 133 15.214 4.298 3.029 1.00 0.00 N ATOM 1591 CA VAL A 133 15.970 3.215 3.647 1.00 0.00 C ATOM 1592 C VAL A 133 16.338 3.559 5.090 1.00 0.00 C ATOM 1593 O VAL A 133 16.827 4.651 5.374 1.00 0.00 O ATOM 1594 CB VAL A 133 17.238 2.953 2.836 1.00 0.00 C ATOM 1595 CG1 VAL A 133 18.172 4.161 2.936 1.00 0.00 C ATOM 1596 CG2 VAL A 133 17.949 1.715 3.386 1.00 0.00 C ATOM 0 H VAL A 133 15.786 4.985 2.537 1.00 0.00 H new ATOM 0 HA VAL A 133 15.349 2.319 3.659 1.00 0.00 H new ATOM 0 HB VAL A 133 16.970 2.787 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 133 19.076 3.971 2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 133 17.668 5.044 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 133 18.439 4.329 3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 133 18.854 1.528 2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 133 18.214 1.881 4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 133 17.287 0.852 3.313 1.00 0.00 H new ATOM 1606 N GLU A 134 16.099 2.611 5.994 1.00 0.00 N ATOM 1607 CA GLU A 134 16.403 2.811 7.410 1.00 0.00 C ATOM 1608 C GLU A 134 15.633 4.004 7.967 1.00 0.00 C ATOM 1609 O GLU A 134 16.215 4.752 8.736 1.00 0.00 O ATOM 1610 CB GLU A 134 17.905 3.031 7.609 1.00 0.00 C ATOM 1611 CG GLU A 134 18.650 1.711 7.393 1.00 0.00 C ATOM 1612 CD GLU A 134 20.138 1.894 7.674 1.00 0.00 C ATOM 1613 OE1 GLU A 134 20.606 3.016 7.572 1.00 0.00 O ATOM 1614 OE2 GLU A 134 20.784 0.911 7.997 1.00 0.00 O ATOM 1615 OXT GLU A 134 14.472 4.148 7.622 1.00 0.00 O ATOM 0 H GLU A 134 15.697 1.700 5.773 1.00 0.00 H new ATOM 0 HA GLU A 134 16.098 1.914 7.948 1.00 0.00 H new ATOM 0 HB2 GLU A 134 18.268 3.784 6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 134 18.098 3.409 8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 134 18.241 0.942 8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 134 18.505 1.367 6.369 1.00 0.00 H new TER 1622 GLU A 134 HETATM 1623 C1 NAG A 135 15.546 1.370 -5.934 1.00 0.00 C HETATM 1624 C2 NAG A 135 16.514 0.982 -7.016 1.00 0.00 C HETATM 1625 C3 NAG A 135 17.629 0.163 -6.419 1.00 0.00 C HETATM 1626 C4 NAG A 135 18.323 0.952 -5.343 1.00 0.00 C HETATM 1627 C5 NAG A 135 17.310 1.419 -4.314 1.00 0.00 C HETATM 1628 C6 NAG A 135 17.928 2.365 -3.290 1.00 0.00 C HETATM 1629 C7 NAG A 135 15.716 0.728 -9.279 1.00 0.00 C HETATM 1630 C8 NAG A 135 15.013 -0.096 -10.328 1.00 0.00 C HETATM 1631 N2 NAG A 135 15.829 0.207 -8.061 1.00 0.00 N HETATM 1632 O3 NAG A 135 18.567 -0.200 -7.444 1.00 0.00 O HETATM 1633 O4 NAG A 135 19.315 0.132 -4.705 1.00 0.00 O HETATM 1634 O5 NAG A 135 16.216 2.123 -4.948 1.00 0.00 O HETATM 1635 O6 NAG A 135 18.338 3.600 -3.903 1.00 0.00 O HETATM 1636 O7 NAG A 135 16.159 1.839 -9.571 1.00 0.00 O HETATM 0 HO6 NAG A 135 17.695 3.849 -4.600 1.00 0.00 H new HETATM 0 HO4 NAG A 135 19.968 0.703 -4.249 1.00 0.00 H new HETATM 0 HO3 NAG A 135 19.291 -0.731 -7.052 1.00 0.00 H new HETATM 0 HN2 NAG A 135 15.447 -0.716 -7.855 1.00 0.00 H new HETATM 0 H83 NAG A 135 15.544 -1.038 -10.467 1.00 0.00 H new HETATM 0 H82 NAG A 135 13.991 -0.299 -10.007 1.00 0.00 H new HETATM 0 H81 NAG A 135 14.995 0.453 -11.270 1.00 0.00 H new HETATM 0 H62 NAG A 135 17.207 2.571 -2.499 1.00 0.00 H new HETATM 0 H61 NAG A 135 18.787 1.886 -2.821 1.00 0.00 H new HETATM 0 H5 NAG A 135 16.953 0.519 -3.813 1.00 0.00 H new HETATM 0 H4 NAG A 135 18.806 1.820 -5.791 1.00 0.00 H new HETATM 0 H3 NAG A 135 17.212 -0.744 -5.980 1.00 0.00 H new HETATM 0 H2 NAG A 135 16.925 1.885 -7.467 1.00 0.00 H new