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 66 THR OG1 : rot -66:sc= 0.938 USER MOD Set 1.2: A 121 TYR OH : rot 30:sc= 1.06 USER MOD Set 2.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 119 TYR OH : rot 75:sc= 0.189 USER MOD Single : A 35 MET CE :methyl 162:sc= -1.1 (180deg=-1.91) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -155:sc= -0.189 (180deg=-1.84!) USER MOD Single : A 60 ASN : amide:sc= -3.98! C(o=-4!,f=-5.4!) USER MOD Single : A 62 ASN : amide:sc= -1.57! C(o=-1.6!,f=-3.5!) USER MOD Single : A 63 TYR OH : rot -179:sc= -5.47! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -5.06! C(o=-7.3!,f=-5.1!) USER MOD Single : A 78 MET CE :methyl -175:sc= -3.56! (180deg=-3.76!) USER MOD Single : A 80 ASN : amide:sc= 0.175 X(o=0.18,f=-0.13) USER MOD Single : A 82 GLN : amide:sc= 0.00184 X(o=0.0018,f=-0.24) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl -109:sc= -3.48! (180deg=-4.94!) USER MOD Single : A 93 SER OG : rot 103:sc= 0.984 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 97 ASN : amide:sc= -4.24! C(o=-4.2!,f=-15!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN :FLIP amide:sc= -2.11 F(o=-2.7,f=-2.1) USER MOD Single : A 108 SER OG : rot 21:sc= 0.494 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 151:sc= -0.284 (180deg=-1.37!) USER MOD Single : A 125 GLN :FLIP amide:sc= -3.27! C(o=-4.2!,f=-3.3!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 NAG O3 : rot 148:sc= -0.0244 USER MOD Single : A 135 NAG O4 : rot 160:sc= 0.0011 USER MOD Single : A 135 NAG O6 : rot 180:sc= -0.0108 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -0.115 -4.722 13.122 1.00 0.00 N ATOM 2 CA GLY A 29 0.748 -5.448 12.150 1.00 0.00 C ATOM 3 C GLY A 29 -0.049 -5.752 10.887 1.00 0.00 C ATOM 4 O GLY A 29 -1.262 -5.962 10.937 1.00 0.00 O ATOM 0 HA2 GLY A 29 1.623 -4.846 11.904 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.113 -6.374 12.594 1.00 0.00 H new ATOM 10 N LEU A 30 0.642 -5.761 9.752 1.00 0.00 N ATOM 11 CA LEU A 30 -0.007 -6.029 8.474 1.00 0.00 C ATOM 12 C LEU A 30 0.852 -6.954 7.610 1.00 0.00 C ATOM 13 O LEU A 30 1.499 -6.513 6.661 1.00 0.00 O ATOM 14 CB LEU A 30 -0.245 -4.704 7.749 1.00 0.00 C ATOM 15 CG LEU A 30 -1.491 -4.802 6.870 1.00 0.00 C ATOM 16 CD1 LEU A 30 -1.586 -3.550 5.998 1.00 0.00 C ATOM 17 CD2 LEU A 30 -1.393 -6.041 5.976 1.00 0.00 C ATOM 0 H LEU A 30 1.645 -5.587 9.691 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.959 -6.528 8.656 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.365 -3.900 8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.622 -4.454 7.137 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.378 -4.882 7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.473 -3.612 5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.654 -2.668 6.634 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.699 -3.476 5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.283 -6.109 5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.509 -5.964 5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.318 -6.933 6.598 1.00 0.00 H new ATOM 29 N PRO A 31 0.865 -8.220 7.933 1.00 0.00 N ATOM 30 CA PRO A 31 1.658 -9.252 7.191 1.00 0.00 C ATOM 31 C PRO A 31 1.345 -9.258 5.693 1.00 0.00 C ATOM 32 O PRO A 31 0.266 -8.841 5.277 1.00 0.00 O ATOM 33 CB PRO A 31 1.233 -10.573 7.843 1.00 0.00 C ATOM 34 CG PRO A 31 0.744 -10.192 9.201 1.00 0.00 C ATOM 35 CD PRO A 31 0.121 -8.809 9.053 1.00 0.00 C ATOM 0 HA PRO A 31 2.730 -9.065 7.253 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.451 -11.065 7.265 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.069 -11.270 7.905 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.012 -10.912 9.568 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.563 -10.176 9.920 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.946 -8.870 8.839 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.231 -8.219 9.963 1.00 0.00 H new ATOM 43 N PHE A 32 2.295 -9.729 4.888 1.00 0.00 N ATOM 44 CA PHE A 32 2.099 -9.773 3.438 1.00 0.00 C ATOM 45 C PHE A 32 1.245 -10.972 3.039 1.00 0.00 C ATOM 46 O PHE A 32 0.965 -11.173 1.858 1.00 0.00 O ATOM 47 CB PHE A 32 3.447 -9.839 2.717 1.00 0.00 C ATOM 48 CG PHE A 32 4.221 -8.576 3.001 1.00 0.00 C ATOM 49 CD1 PHE A 32 3.973 -7.416 2.252 1.00 0.00 C ATOM 50 CD2 PHE A 32 5.183 -8.560 4.017 1.00 0.00 C ATOM 51 CE1 PHE A 32 4.689 -6.244 2.522 1.00 0.00 C ATOM 52 CE2 PHE A 32 5.897 -7.386 4.288 1.00 0.00 C ATOM 53 CZ PHE A 32 5.650 -6.228 3.541 1.00 0.00 C ATOM 0 H PHE A 32 3.197 -10.082 5.208 1.00 0.00 H new ATOM 0 HA PHE A 32 1.580 -8.861 3.144 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.011 -10.709 3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.294 -9.953 1.644 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.230 -7.427 1.468 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.375 -9.453 4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.500 -5.351 1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.638 -7.374 5.073 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.200 -5.323 3.750 1.00 0.00 H new ATOM 63 N GLY A 33 0.836 -11.759 4.030 1.00 0.00 N ATOM 64 CA GLY A 33 0.001 -12.934 3.776 1.00 0.00 C ATOM 65 C GLY A 33 0.631 -13.856 2.733 1.00 0.00 C ATOM 66 O GLY A 33 1.035 -14.977 3.049 1.00 0.00 O ATOM 0 H GLY A 33 1.066 -11.608 5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.148 -13.483 4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.983 -12.615 3.433 1.00 0.00 H new ATOM 70 N LEU A 34 0.710 -13.384 1.493 1.00 0.00 N ATOM 71 CA LEU A 34 1.292 -14.180 0.422 1.00 0.00 C ATOM 72 C LEU A 34 1.753 -13.278 -0.715 1.00 0.00 C ATOM 73 O LEU A 34 1.454 -13.524 -1.885 1.00 0.00 O ATOM 74 CB LEU A 34 0.267 -15.188 -0.104 1.00 0.00 C ATOM 75 CG LEU A 34 -1.094 -14.506 -0.276 1.00 0.00 C ATOM 76 CD1 LEU A 34 -1.735 -14.969 -1.585 1.00 0.00 C ATOM 77 CD2 LEU A 34 -2.011 -14.871 0.897 1.00 0.00 C ATOM 0 H LEU A 34 0.381 -12.462 1.208 1.00 0.00 H new ATOM 0 HA LEU A 34 2.152 -14.719 0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.602 -15.596 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.179 -16.025 0.588 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.953 -13.425 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.703 -14.484 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.088 -14.704 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.871 -16.050 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.977 -14.383 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.151 -15.952 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.557 -14.538 1.831 1.00 0.00 H new ATOM 89 N MET A 35 2.474 -12.220 -0.357 1.00 0.00 N ATOM 90 CA MET A 35 2.963 -11.274 -1.347 1.00 0.00 C ATOM 91 C MET A 35 1.791 -10.666 -2.098 1.00 0.00 C ATOM 92 O MET A 35 0.695 -11.229 -2.125 1.00 0.00 O ATOM 93 CB MET A 35 3.916 -11.971 -2.329 1.00 0.00 C ATOM 94 CG MET A 35 5.358 -11.548 -2.031 1.00 0.00 C ATOM 95 SD MET A 35 6.507 -12.757 -2.734 1.00 0.00 S ATOM 96 CE MET A 35 5.962 -12.622 -4.454 1.00 0.00 C ATOM 0 H MET A 35 2.730 -11.999 0.605 1.00 0.00 H new ATOM 0 HA MET A 35 3.511 -10.482 -0.837 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.818 -13.053 -2.241 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.654 -11.709 -3.354 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.552 -10.561 -2.451 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.509 -11.471 -0.954 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.728 -13.032 -5.112 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.034 -13.179 -4.587 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.794 -11.574 -4.701 1.00 0.00 H new ATOM 106 N ARG A 36 2.031 -9.529 -2.724 1.00 0.00 N ATOM 107 CA ARG A 36 0.995 -8.862 -3.495 1.00 0.00 C ATOM 108 C ARG A 36 1.101 -9.313 -4.942 1.00 0.00 C ATOM 109 O ARG A 36 2.198 -9.597 -5.421 1.00 0.00 O ATOM 110 CB ARG A 36 1.184 -7.351 -3.364 1.00 0.00 C ATOM 111 CG ARG A 36 1.127 -6.989 -1.876 1.00 0.00 C ATOM 112 CD ARG A 36 1.562 -5.541 -1.673 1.00 0.00 C ATOM 113 NE ARG A 36 1.807 -5.288 -0.256 1.00 0.00 N ATOM 114 CZ ARG A 36 1.574 -4.097 0.280 1.00 0.00 C ATOM 115 NH1 ARG A 36 1.130 -3.122 -0.462 1.00 0.00 N ATOM 116 NH2 ARG A 36 1.796 -3.898 1.550 1.00 0.00 N ATOM 0 H ARG A 36 2.931 -9.048 -2.715 1.00 0.00 H new ATOM 0 HA ARG A 36 0.002 -9.117 -3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.140 -7.049 -3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.406 -6.821 -3.914 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.114 -7.129 -1.498 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.775 -7.655 -1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.466 -5.340 -2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.791 -4.865 -2.044 1.00 0.00 H new ATOM 0 HE ARG A 36 2.164 -6.041 0.333 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.961 -3.274 -1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.951 -2.207 -0.048 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.149 -4.658 2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.617 -2.982 1.962 1.00 0.00 H new ATOM 130 N ARG A 37 -0.018 -9.399 -5.646 1.00 0.00 N ATOM 131 CA ARG A 37 0.038 -9.845 -7.030 1.00 0.00 C ATOM 132 C ARG A 37 -1.117 -9.303 -7.855 1.00 0.00 C ATOM 133 O ARG A 37 -2.275 -9.363 -7.443 1.00 0.00 O ATOM 134 CB ARG A 37 0.007 -11.368 -7.075 1.00 0.00 C ATOM 135 CG ARG A 37 0.020 -11.839 -8.525 1.00 0.00 C ATOM 136 CD ARG A 37 0.122 -13.361 -8.559 1.00 0.00 C ATOM 137 NE ARG A 37 -1.101 -13.958 -8.043 1.00 0.00 N ATOM 138 CZ ARG A 37 -1.267 -15.275 -8.036 1.00 0.00 C ATOM 139 NH1 ARG A 37 -0.314 -16.052 -8.477 1.00 0.00 N ATOM 140 NH2 ARG A 37 -2.374 -15.788 -7.583 1.00 0.00 N ATOM 0 H ARG A 37 -0.949 -9.174 -5.296 1.00 0.00 H new ATOM 0 HA ARG A 37 0.965 -9.464 -7.459 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.867 -11.775 -6.543 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.885 -11.738 -6.570 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.887 -11.512 -9.034 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.861 -11.395 -9.056 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.297 -13.698 -9.581 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.975 -13.689 -7.964 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.841 -13.356 -7.682 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.555 -15.646 -8.825 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.438 -17.064 -8.473 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.113 -15.178 -7.234 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.502 -16.800 -7.577 1.00 0.00 H new ATOM 154 N GLU A 38 -0.793 -8.821 -9.044 1.00 0.00 N ATOM 155 CA GLU A 38 -1.809 -8.316 -9.956 1.00 0.00 C ATOM 156 C GLU A 38 -1.722 -9.057 -11.273 1.00 0.00 C ATOM 157 O GLU A 38 -0.645 -9.468 -11.705 1.00 0.00 O ATOM 158 CB GLU A 38 -1.638 -6.816 -10.226 1.00 0.00 C ATOM 159 CG GLU A 38 -1.939 -6.002 -8.967 1.00 0.00 C ATOM 160 CD GLU A 38 -3.266 -6.441 -8.359 1.00 0.00 C ATOM 161 OE1 GLU A 38 -4.228 -6.546 -9.103 1.00 0.00 O ATOM 162 OE2 GLU A 38 -3.299 -6.665 -7.163 1.00 0.00 O ATOM 0 H GLU A 38 0.161 -8.768 -9.400 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.780 -8.475 -9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.620 -6.615 -10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.304 -6.508 -11.032 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.137 -6.133 -8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.977 -4.941 -9.212 1.00 0.00 H new ATOM 169 N LEU A 39 -2.864 -9.207 -11.916 1.00 0.00 N ATOM 170 CA LEU A 39 -2.923 -9.878 -13.198 1.00 0.00 C ATOM 171 C LEU A 39 -3.894 -9.133 -14.099 1.00 0.00 C ATOM 172 O LEU A 39 -4.933 -8.661 -13.644 1.00 0.00 O ATOM 173 CB LEU A 39 -3.369 -11.332 -13.019 1.00 0.00 C ATOM 174 CG LEU A 39 -3.090 -12.119 -14.308 1.00 0.00 C ATOM 175 CD1 LEU A 39 -3.067 -13.622 -14.008 1.00 0.00 C ATOM 176 CD2 LEU A 39 -4.181 -11.831 -15.344 1.00 0.00 C ATOM 0 H LEU A 39 -3.764 -8.873 -11.570 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.933 -9.883 -13.654 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.838 -11.785 -12.182 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.432 -11.370 -12.780 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.122 -11.811 -14.703 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.869 -14.173 -14.927 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.284 -13.836 -13.280 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.032 -13.927 -13.603 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.975 -12.393 -16.255 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.150 -12.130 -14.944 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.195 -10.765 -15.571 1.00 0.00 H new ATOM 188 N ALA A 40 -3.553 -9.020 -15.372 1.00 0.00 N ATOM 189 CA ALA A 40 -4.417 -8.317 -16.308 1.00 0.00 C ATOM 190 C ALA A 40 -4.430 -9.026 -17.656 1.00 0.00 C ATOM 191 O ALA A 40 -3.415 -9.567 -18.098 1.00 0.00 O ATOM 192 CB ALA A 40 -3.942 -6.871 -16.472 1.00 0.00 C ATOM 0 H ALA A 40 -2.697 -9.399 -15.778 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.433 -8.312 -15.912 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.594 -6.351 -17.174 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.973 -6.366 -15.506 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.921 -6.864 -16.852 1.00 0.00 H new ATOM 198 N CYS A 41 -5.599 -9.044 -18.286 1.00 0.00 N ATOM 199 CA CYS A 41 -5.764 -9.716 -19.563 1.00 0.00 C ATOM 200 C CYS A 41 -5.006 -9.007 -20.674 1.00 0.00 C ATOM 201 O CYS A 41 -5.009 -7.778 -20.765 1.00 0.00 O ATOM 202 CB CYS A 41 -7.247 -9.767 -19.913 1.00 0.00 C ATOM 203 SG CYS A 41 -8.120 -10.700 -18.637 1.00 0.00 S ATOM 0 H CYS A 41 -6.445 -8.600 -17.930 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.358 -10.724 -19.472 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.652 -8.758 -19.985 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.388 -10.237 -20.886 1.00 0.00 H new ATOM 208 N GLU A 42 -4.348 -9.795 -21.514 1.00 0.00 N ATOM 209 CA GLU A 42 -3.587 -9.238 -22.614 1.00 0.00 C ATOM 210 C GLU A 42 -4.413 -8.225 -23.386 1.00 0.00 C ATOM 211 O GLU A 42 -5.577 -8.461 -23.701 1.00 0.00 O ATOM 212 CB GLU A 42 -3.134 -10.334 -23.573 1.00 0.00 C ATOM 213 CG GLU A 42 -2.268 -9.705 -24.660 1.00 0.00 C ATOM 214 CD GLU A 42 -1.847 -10.756 -25.683 1.00 0.00 C ATOM 215 OE1 GLU A 42 -2.333 -11.870 -25.595 1.00 0.00 O ATOM 216 OE2 GLU A 42 -1.039 -10.430 -26.537 1.00 0.00 O ATOM 0 H GLU A 42 -4.328 -10.813 -21.452 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.714 -8.745 -22.186 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.571 -11.097 -23.036 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.998 -10.829 -24.017 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.820 -8.907 -25.156 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.384 -9.251 -24.212 1.00 0.00 H new ATOM 223 N GLY A 43 -3.784 -7.110 -23.713 1.00 0.00 N ATOM 224 CA GLY A 43 -4.444 -6.067 -24.479 1.00 0.00 C ATOM 225 C GLY A 43 -5.003 -4.955 -23.608 1.00 0.00 C ATOM 226 O GLY A 43 -5.184 -3.835 -24.086 1.00 0.00 O ATOM 0 H GLY A 43 -2.818 -6.903 -23.460 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.735 -5.643 -25.190 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.254 -6.508 -25.060 1.00 0.00 H new ATOM 230 N TYR A 44 -5.265 -5.229 -22.331 1.00 0.00 N ATOM 231 CA TYR A 44 -5.783 -4.196 -21.445 1.00 0.00 C ATOM 232 C TYR A 44 -4.687 -3.783 -20.462 1.00 0.00 C ATOM 233 O TYR A 44 -3.800 -4.577 -20.137 1.00 0.00 O ATOM 234 CB TYR A 44 -7.003 -4.728 -20.681 1.00 0.00 C ATOM 235 CG TYR A 44 -7.919 -5.502 -21.613 1.00 0.00 C ATOM 236 CD1 TYR A 44 -7.963 -5.211 -22.986 1.00 0.00 C ATOM 237 CD2 TYR A 44 -8.733 -6.517 -21.091 1.00 0.00 C ATOM 238 CE1 TYR A 44 -8.817 -5.929 -23.827 1.00 0.00 C ATOM 239 CE2 TYR A 44 -9.585 -7.237 -21.934 1.00 0.00 C ATOM 240 CZ TYR A 44 -9.628 -6.944 -23.303 1.00 0.00 C ATOM 241 OH TYR A 44 -10.470 -7.653 -24.134 1.00 0.00 O ATOM 0 H TYR A 44 -5.129 -6.141 -21.895 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.089 -3.330 -22.032 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.676 -5.373 -19.865 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.549 -3.898 -20.232 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.336 -4.431 -23.392 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.702 -6.743 -20.035 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.852 -5.701 -24.882 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.210 -8.019 -21.529 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.961 -8.320 -23.610 1.00 0.00 H new ATOM 251 N PRO A 45 -4.717 -2.565 -19.998 1.00 0.00 N ATOM 252 CA PRO A 45 -3.693 -2.044 -19.043 1.00 0.00 C ATOM 253 C PRO A 45 -3.769 -2.688 -17.658 1.00 0.00 C ATOM 254 O PRO A 45 -4.823 -3.161 -17.231 1.00 0.00 O ATOM 255 CB PRO A 45 -3.990 -0.545 -18.965 1.00 0.00 C ATOM 256 CG PRO A 45 -5.419 -0.400 -19.365 1.00 0.00 C ATOM 257 CD PRO A 45 -5.724 -1.544 -20.332 1.00 0.00 C ATOM 0 HA PRO A 45 -2.684 -2.272 -19.388 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.824 -0.164 -17.957 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.337 0.019 -19.631 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.071 -0.446 -18.493 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.591 0.565 -19.841 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.737 -1.922 -20.197 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.639 -1.223 -21.370 1.00 0.00 H new ATOM 265 N ILE A 46 -2.634 -2.676 -16.960 1.00 0.00 N ATOM 266 CA ILE A 46 -2.548 -3.232 -15.611 1.00 0.00 C ATOM 267 C ILE A 46 -2.164 -2.123 -14.639 1.00 0.00 C ATOM 268 O ILE A 46 -1.430 -1.201 -15.004 1.00 0.00 O ATOM 269 CB ILE A 46 -1.487 -4.324 -15.552 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.546 -5.030 -14.195 1.00 0.00 C ATOM 271 CG2 ILE A 46 -0.113 -3.682 -15.718 1.00 0.00 C ATOM 272 CD1 ILE A 46 -0.628 -6.253 -14.227 1.00 0.00 C ATOM 0 H ILE A 46 -1.758 -2.286 -17.308 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.515 -3.658 -15.343 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.665 -5.050 -16.345 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.237 -4.348 -13.403 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.569 -5.333 -13.973 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.656 -4.453 -15.678 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.064 -3.171 -16.679 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.052 -2.963 -14.916 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.665 -6.761 -13.263 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.958 -6.936 -15.010 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.395 -5.935 -14.431 1.00 0.00 H new ATOM 284 N GLU A 47 -2.674 -2.199 -13.416 1.00 0.00 N ATOM 285 CA GLU A 47 -2.385 -1.165 -12.434 1.00 0.00 C ATOM 286 C GLU A 47 -1.732 -1.721 -11.178 1.00 0.00 C ATOM 287 O GLU A 47 -2.219 -2.670 -10.565 1.00 0.00 O ATOM 288 CB GLU A 47 -3.678 -0.438 -12.059 1.00 0.00 C ATOM 289 CG GLU A 47 -3.386 0.605 -10.978 1.00 0.00 C ATOM 290 CD GLU A 47 -4.232 0.315 -9.743 1.00 0.00 C ATOM 291 OE1 GLU A 47 -5.375 0.740 -9.718 1.00 0.00 O ATOM 292 OE2 GLU A 47 -3.723 -0.327 -8.840 1.00 0.00 O ATOM 0 H GLU A 47 -3.278 -2.951 -13.086 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.677 -0.473 -12.890 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.104 0.045 -12.939 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.418 -1.153 -11.698 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.328 0.587 -10.718 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.605 1.604 -11.354 1.00 0.00 H new ATOM 299 N LEU A 48 -0.640 -1.077 -10.786 1.00 0.00 N ATOM 300 CA LEU A 48 0.086 -1.439 -9.581 1.00 0.00 C ATOM 301 C LEU A 48 0.142 -0.227 -8.664 1.00 0.00 C ATOM 302 O LEU A 48 0.488 0.865 -9.103 1.00 0.00 O ATOM 303 CB LEU A 48 1.503 -1.886 -9.933 1.00 0.00 C ATOM 304 CG LEU A 48 1.441 -3.041 -10.927 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.860 -3.424 -11.355 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.765 -4.244 -10.269 1.00 0.00 C ATOM 0 H LEU A 48 -0.235 -0.291 -11.295 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.423 -2.263 -9.081 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.062 -1.054 -10.361 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.032 -2.196 -9.032 1.00 0.00 H new ATOM 0 HG LEU A 48 0.868 -2.736 -11.802 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.815 -4.250 -12.065 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.342 -2.567 -11.825 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.434 -3.729 -10.480 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.720 -5.070 -10.979 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.338 -4.549 -9.393 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.246 -3.972 -9.965 1.00 0.00 H new ATOM 318 N ARG A 49 -0.201 -0.411 -7.401 1.00 0.00 N ATOM 319 CA ARG A 49 -0.179 0.709 -6.462 1.00 0.00 C ATOM 320 C ARG A 49 0.191 0.245 -5.059 1.00 0.00 C ATOM 321 O ARG A 49 -0.394 -0.703 -4.535 1.00 0.00 O ATOM 322 CB ARG A 49 -1.554 1.380 -6.429 1.00 0.00 C ATOM 323 CG ARG A 49 -1.853 2.008 -7.792 1.00 0.00 C ATOM 324 CD ARG A 49 -3.182 2.760 -7.727 1.00 0.00 C ATOM 325 NE ARG A 49 -3.041 4.083 -8.320 1.00 0.00 N ATOM 326 CZ ARG A 49 -2.653 4.234 -9.580 1.00 0.00 C ATOM 327 NH1 ARG A 49 -2.385 3.185 -10.311 1.00 0.00 N ATOM 328 NH2 ARG A 49 -2.535 5.429 -10.086 1.00 0.00 N ATOM 0 H ARG A 49 -0.493 -1.304 -7.003 1.00 0.00 H new ATOM 0 HA ARG A 49 0.575 1.420 -6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.321 0.647 -6.179 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.578 2.144 -5.652 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.051 2.690 -8.074 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.898 1.234 -8.559 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.953 2.197 -8.254 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.506 2.851 -6.690 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.244 4.908 -7.756 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.474 2.250 -9.913 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.087 3.301 -11.280 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.741 6.248 -9.514 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.237 5.546 -11.054 1.00 0.00 H new ATOM 342 N CYS A 50 1.150 0.931 -4.442 1.00 0.00 N ATOM 343 CA CYS A 50 1.568 0.590 -3.089 1.00 0.00 C ATOM 344 C CYS A 50 0.861 1.507 -2.087 1.00 0.00 C ATOM 345 O CYS A 50 0.640 2.688 -2.368 1.00 0.00 O ATOM 346 CB CYS A 50 3.085 0.746 -2.945 1.00 0.00 C ATOM 347 SG CYS A 50 3.913 -0.763 -3.511 1.00 0.00 S ATOM 0 H CYS A 50 1.648 1.720 -4.855 1.00 0.00 H new ATOM 0 HA CYS A 50 1.300 -0.447 -2.889 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.429 1.601 -3.527 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.342 0.945 -1.905 1.00 0.00 H new ATOM 352 N PRO A 51 0.498 0.994 -0.940 1.00 0.00 N ATOM 353 CA PRO A 51 -0.206 1.787 0.111 1.00 0.00 C ATOM 354 C PRO A 51 0.699 2.821 0.774 1.00 0.00 C ATOM 355 O PRO A 51 1.925 2.738 0.681 1.00 0.00 O ATOM 356 CB PRO A 51 -0.673 0.746 1.130 1.00 0.00 C ATOM 357 CG PRO A 51 0.133 -0.491 0.882 1.00 0.00 C ATOM 358 CD PRO A 51 0.726 -0.398 -0.524 1.00 0.00 C ATOM 0 HA PRO A 51 -1.026 2.363 -0.317 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.525 1.107 2.148 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.738 0.543 1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.926 -0.584 1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.494 -1.378 0.973 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.789 -0.640 -0.521 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.241 -1.098 -1.204 1.00 0.00 H new ATOM 366 N GLY A 52 0.090 3.781 1.463 1.00 0.00 N ATOM 367 CA GLY A 52 0.852 4.808 2.162 1.00 0.00 C ATOM 368 C GLY A 52 1.898 5.430 1.248 1.00 0.00 C ATOM 369 O GLY A 52 1.585 5.895 0.151 1.00 0.00 O ATOM 0 H GLY A 52 -0.922 3.869 1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.176 5.582 2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.339 4.373 3.035 1.00 0.00 H new ATOM 373 N SER A 53 3.136 5.428 1.715 1.00 0.00 N ATOM 374 CA SER A 53 4.242 5.991 0.944 1.00 0.00 C ATOM 375 C SER A 53 5.257 4.907 0.564 1.00 0.00 C ATOM 376 O SER A 53 6.426 5.200 0.322 1.00 0.00 O ATOM 377 CB SER A 53 4.929 7.086 1.757 1.00 0.00 C ATOM 378 OG SER A 53 5.693 6.491 2.799 1.00 0.00 O ATOM 0 H SER A 53 3.404 5.045 2.621 1.00 0.00 H new ATOM 0 HA SER A 53 3.840 6.416 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.575 7.682 1.112 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.185 7.763 2.177 1.00 0.00 H new ATOM 0 HG SER A 53 6.136 7.192 3.321 1.00 0.00 H new ATOM 384 N ASP A 54 4.799 3.653 0.502 1.00 0.00 N ATOM 385 CA ASP A 54 5.673 2.537 0.138 1.00 0.00 C ATOM 386 C ASP A 54 5.903 2.495 -1.368 1.00 0.00 C ATOM 387 O ASP A 54 5.220 3.182 -2.126 1.00 0.00 O ATOM 388 CB ASP A 54 5.061 1.208 0.582 1.00 0.00 C ATOM 389 CG ASP A 54 5.039 1.111 2.101 1.00 0.00 C ATOM 390 OD1 ASP A 54 5.790 1.833 2.730 1.00 0.00 O ATOM 391 OD2 ASP A 54 4.262 0.318 2.612 1.00 0.00 O ATOM 0 H ASP A 54 3.834 3.388 0.698 1.00 0.00 H new ATOM 0 HA ASP A 54 6.627 2.688 0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.047 1.120 0.192 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.636 0.380 0.167 1.00 0.00 H new ATOM 396 N VAL A 55 6.855 1.666 -1.800 1.00 0.00 N ATOM 397 CA VAL A 55 7.131 1.541 -3.224 1.00 0.00 C ATOM 398 C VAL A 55 7.079 0.083 -3.651 1.00 0.00 C ATOM 399 O VAL A 55 7.441 -0.823 -2.893 1.00 0.00 O ATOM 400 CB VAL A 55 8.500 2.123 -3.564 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.684 3.439 -2.813 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.594 1.132 -3.161 1.00 0.00 C ATOM 0 H VAL A 55 7.435 1.084 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 55 6.366 2.100 -3.763 1.00 0.00 H new ATOM 0 HB VAL A 55 8.568 2.306 -4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.661 3.861 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.904 4.140 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.619 3.258 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.571 1.550 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.537 0.943 -2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.454 0.196 -3.702 1.00 0.00 H new ATOM 412 N ILE A 56 6.616 -0.123 -4.877 1.00 0.00 N ATOM 413 CA ILE A 56 6.496 -1.454 -5.441 1.00 0.00 C ATOM 414 C ILE A 56 7.860 -2.067 -5.703 1.00 0.00 C ATOM 415 O ILE A 56 8.767 -1.404 -6.210 1.00 0.00 O ATOM 416 CB ILE A 56 5.729 -1.386 -6.757 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.310 -0.889 -6.500 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.678 -2.775 -7.393 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.643 -0.559 -7.834 1.00 0.00 C ATOM 0 H ILE A 56 6.316 0.625 -5.502 1.00 0.00 H new ATOM 0 HA ILE A 56 5.964 -2.076 -4.721 1.00 0.00 H new ATOM 0 HB ILE A 56 6.235 -0.697 -7.433 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.736 -1.650 -5.971 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.331 -0.005 -5.862 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.129 -2.725 -8.334 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.692 -3.126 -7.583 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.176 -3.467 -6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.628 -0.203 -7.655 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.215 0.216 -8.345 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.610 -1.454 -8.455 1.00 0.00 H new ATOM 431 N MET A 57 7.992 -3.341 -5.381 1.00 0.00 N ATOM 432 CA MET A 57 9.237 -4.040 -5.620 1.00 0.00 C ATOM 433 C MET A 57 8.933 -5.351 -6.324 1.00 0.00 C ATOM 434 O MET A 57 8.504 -6.332 -5.714 1.00 0.00 O ATOM 435 CB MET A 57 9.987 -4.267 -4.306 1.00 0.00 C ATOM 436 CG MET A 57 9.524 -5.556 -3.626 1.00 0.00 C ATOM 437 SD MET A 57 10.075 -5.534 -1.904 1.00 0.00 S ATOM 438 CE MET A 57 11.812 -5.165 -2.248 1.00 0.00 C ATOM 0 H MET A 57 7.257 -3.907 -4.957 1.00 0.00 H new ATOM 0 HA MET A 57 9.885 -3.439 -6.257 1.00 0.00 H new ATOM 0 HB2 MET A 57 11.059 -4.318 -4.499 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.823 -3.421 -3.639 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.438 -5.640 -3.674 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.934 -6.424 -4.143 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.430 -5.526 -1.426 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.113 -5.658 -3.172 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.941 -4.088 -2.353 1.00 0.00 H new ATOM 448 N VAL A 58 9.129 -5.335 -7.630 1.00 0.00 N ATOM 449 CA VAL A 58 8.856 -6.501 -8.447 1.00 0.00 C ATOM 450 C VAL A 58 9.790 -7.648 -8.091 1.00 0.00 C ATOM 451 O VAL A 58 11.014 -7.523 -8.178 1.00 0.00 O ATOM 452 CB VAL A 58 9.002 -6.134 -9.923 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.890 -7.389 -10.786 1.00 0.00 C ATOM 454 CG2 VAL A 58 7.885 -5.155 -10.302 1.00 0.00 C ATOM 0 H VAL A 58 9.476 -4.527 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 58 7.835 -6.831 -8.255 1.00 0.00 H new ATOM 0 HB VAL A 58 9.976 -5.675 -10.090 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.995 -7.119 -11.837 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.677 -8.091 -10.511 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.917 -7.854 -10.627 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.979 -4.886 -11.354 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.916 -5.625 -10.133 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.965 -4.257 -9.689 1.00 0.00 H new ATOM 464 N GLU A 59 9.202 -8.778 -7.712 1.00 0.00 N ATOM 465 CA GLU A 59 9.990 -9.950 -7.371 1.00 0.00 C ATOM 466 C GLU A 59 9.985 -10.890 -8.568 1.00 0.00 C ATOM 467 O GLU A 59 11.031 -11.392 -8.980 1.00 0.00 O ATOM 468 CB GLU A 59 9.414 -10.644 -6.131 1.00 0.00 C ATOM 469 CG GLU A 59 9.310 -9.630 -4.984 1.00 0.00 C ATOM 470 CD GLU A 59 8.959 -10.335 -3.676 1.00 0.00 C ATOM 471 OE1 GLU A 59 9.047 -11.550 -3.638 1.00 0.00 O ATOM 472 OE2 GLU A 59 8.618 -9.646 -2.729 1.00 0.00 O ATOM 0 H GLU A 59 8.193 -8.904 -7.635 1.00 0.00 H new ATOM 0 HA GLU A 59 11.013 -9.657 -7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.431 -11.058 -6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.052 -11.478 -5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.255 -9.098 -4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.550 -8.885 -5.218 1.00 0.00 H new ATOM 479 N ASN A 60 8.798 -11.118 -9.130 1.00 0.00 N ATOM 480 CA ASN A 60 8.676 -11.993 -10.293 1.00 0.00 C ATOM 481 C ASN A 60 7.485 -11.575 -11.157 1.00 0.00 C ATOM 482 O ASN A 60 6.503 -11.025 -10.658 1.00 0.00 O ATOM 483 CB ASN A 60 8.491 -13.439 -9.836 1.00 0.00 C ATOM 484 CG ASN A 60 9.571 -13.813 -8.829 1.00 0.00 C ATOM 485 OD1 ASN A 60 10.757 -13.605 -9.080 1.00 0.00 O ATOM 486 ND2 ASN A 60 9.225 -14.351 -7.692 1.00 0.00 N ATOM 0 H ASN A 60 7.920 -10.715 -8.804 1.00 0.00 H new ATOM 0 HA ASN A 60 9.587 -11.910 -10.885 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.506 -13.563 -9.387 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.536 -14.109 -10.695 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.939 -14.601 -7.008 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.240 -14.522 -7.487 1.00 0.00 H new ATOM 493 N ALA A 61 7.583 -11.831 -12.459 1.00 0.00 N ATOM 494 CA ALA A 61 6.516 -11.465 -13.391 1.00 0.00 C ATOM 495 C ALA A 61 6.693 -12.184 -14.727 1.00 0.00 C ATOM 496 O ALA A 61 7.805 -12.563 -15.093 1.00 0.00 O ATOM 497 CB ALA A 61 6.534 -9.955 -13.633 1.00 0.00 C ATOM 0 H ALA A 61 8.385 -12.288 -12.893 1.00 0.00 H new ATOM 0 HA ALA A 61 5.564 -11.761 -12.951 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.737 -9.688 -14.328 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.381 -9.433 -12.688 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.496 -9.666 -14.056 1.00 0.00 H new ATOM 503 N ASN A 62 5.592 -12.374 -15.450 1.00 0.00 N ATOM 504 CA ASN A 62 5.654 -13.055 -16.740 1.00 0.00 C ATOM 505 C ASN A 62 4.541 -12.605 -17.681 1.00 0.00 C ATOM 506 O ASN A 62 3.438 -12.272 -17.247 1.00 0.00 O ATOM 507 CB ASN A 62 5.526 -14.561 -16.548 1.00 0.00 C ATOM 508 CG ASN A 62 5.892 -15.260 -17.847 1.00 0.00 C ATOM 509 OD1 ASN A 62 7.073 -15.447 -18.142 1.00 0.00 O ATOM 510 ND2 ASN A 62 4.944 -15.643 -18.657 1.00 0.00 N ATOM 0 H ASN A 62 4.659 -12.071 -15.170 1.00 0.00 H new ATOM 0 HA ASN A 62 6.617 -12.800 -17.182 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.182 -14.895 -15.744 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.508 -14.818 -16.257 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.180 -16.099 -19.538 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.967 -15.486 -18.409 1.00 0.00 H new ATOM 517 N TYR A 63 4.826 -12.644 -18.982 1.00 0.00 N ATOM 518 CA TYR A 63 3.831 -12.285 -19.987 1.00 0.00 C ATOM 519 C TYR A 63 3.618 -13.457 -20.932 1.00 0.00 C ATOM 520 O TYR A 63 4.549 -13.907 -21.603 1.00 0.00 O ATOM 521 CB TYR A 63 4.278 -11.062 -20.783 1.00 0.00 C ATOM 522 CG TYR A 63 3.277 -10.792 -21.882 1.00 0.00 C ATOM 523 CD1 TYR A 63 2.089 -10.118 -21.592 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.539 -11.217 -23.193 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.161 -9.866 -22.610 1.00 0.00 C ATOM 526 CE2 TYR A 63 2.609 -10.965 -24.208 1.00 0.00 C ATOM 527 CZ TYR A 63 1.423 -10.289 -23.918 1.00 0.00 C ATOM 528 OH TYR A 63 0.513 -10.038 -24.923 1.00 0.00 O ATOM 0 H TYR A 63 5.732 -12.919 -19.361 1.00 0.00 H new ATOM 0 HA TYR A 63 2.897 -12.044 -19.479 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.358 -10.195 -20.127 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.267 -11.232 -21.209 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.886 -9.791 -20.583 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.458 -11.738 -23.419 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.242 -9.345 -22.385 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.809 -11.294 -25.217 1.00 0.00 H new ATOM 0 HH TYR A 63 0.844 -10.413 -25.766 1.00 0.00 H new ATOM 538 N GLY A 64 2.392 -13.958 -20.971 1.00 0.00 N ATOM 539 CA GLY A 64 2.090 -15.101 -21.830 1.00 0.00 C ATOM 540 C GLY A 64 0.797 -15.782 -21.399 1.00 0.00 C ATOM 541 O GLY A 64 -0.196 -15.118 -21.098 1.00 0.00 O ATOM 0 H GLY A 64 1.603 -13.603 -20.431 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.003 -14.770 -22.865 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.912 -15.816 -21.792 1.00 0.00 H new ATOM 545 N ARG A 65 0.823 -17.114 -21.378 1.00 0.00 N ATOM 546 CA ARG A 65 -0.347 -17.891 -20.991 1.00 0.00 C ATOM 547 C ARG A 65 0.063 -19.261 -20.466 1.00 0.00 C ATOM 548 O ARG A 65 0.654 -20.069 -21.186 1.00 0.00 O ATOM 549 CB ARG A 65 -1.293 -18.058 -22.184 1.00 0.00 C ATOM 550 CG ARG A 65 -2.256 -19.215 -21.909 1.00 0.00 C ATOM 551 CD ARG A 65 -3.591 -18.944 -22.601 1.00 0.00 C ATOM 552 NE ARG A 65 -4.223 -17.751 -22.041 1.00 0.00 N ATOM 553 CZ ARG A 65 -5.436 -17.795 -21.499 1.00 0.00 C ATOM 554 NH1 ARG A 65 -6.107 -18.910 -21.482 1.00 0.00 N ATOM 555 NH2 ARG A 65 -5.965 -16.716 -20.988 1.00 0.00 N ATOM 0 H ARG A 65 1.640 -17.673 -21.624 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.863 -17.352 -20.197 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.852 -17.137 -22.351 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.721 -18.254 -23.091 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.830 -20.150 -22.272 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.407 -19.329 -20.836 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.433 -18.811 -23.671 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.251 -19.803 -22.481 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.721 -16.863 -22.067 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.702 -19.755 -21.886 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.037 -18.939 -21.065 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.447 -15.837 -21.004 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.896 -16.752 -20.573 1.00 0.00 H new ATOM 569 N THR A 66 -0.251 -19.513 -19.198 1.00 0.00 N ATOM 570 CA THR A 66 0.090 -20.786 -18.575 1.00 0.00 C ATOM 571 C THR A 66 -1.154 -21.462 -18.017 1.00 0.00 C ATOM 572 O THR A 66 -1.064 -22.452 -17.293 1.00 0.00 O ATOM 573 CB THR A 66 1.098 -20.549 -17.449 1.00 0.00 C ATOM 574 OG1 THR A 66 0.415 -20.089 -16.291 1.00 0.00 O ATOM 575 CG2 THR A 66 2.114 -19.494 -17.891 1.00 0.00 C ATOM 0 H THR A 66 -0.737 -18.857 -18.587 1.00 0.00 H new ATOM 0 HA THR A 66 0.529 -21.439 -19.330 1.00 0.00 H new ATOM 0 HB THR A 66 1.614 -21.481 -17.221 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.039 -19.201 -16.464 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.833 -19.324 -17.090 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.638 -19.844 -18.781 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.596 -18.562 -18.118 1.00 0.00 H new ATOM 583 N ASP A 67 -2.313 -20.928 -18.368 1.00 0.00 N ATOM 584 CA ASP A 67 -3.573 -21.488 -17.912 1.00 0.00 C ATOM 585 C ASP A 67 -4.631 -21.301 -18.992 1.00 0.00 C ATOM 586 O ASP A 67 -4.317 -20.934 -20.127 1.00 0.00 O ATOM 587 CB ASP A 67 -4.016 -20.812 -16.612 1.00 0.00 C ATOM 588 CG ASP A 67 -5.025 -21.695 -15.881 1.00 0.00 C ATOM 589 OD1 ASP A 67 -5.127 -22.860 -16.232 1.00 0.00 O ATOM 590 OD2 ASP A 67 -5.674 -21.195 -14.977 1.00 0.00 O ATOM 0 H ASP A 67 -2.406 -20.108 -18.967 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.443 -22.553 -17.717 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.151 -20.630 -15.974 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.461 -19.841 -16.831 1.00 0.00 H new ATOM 595 N ASP A 68 -5.881 -21.555 -18.642 1.00 0.00 N ATOM 596 CA ASP A 68 -6.961 -21.409 -19.603 1.00 0.00 C ATOM 597 C ASP A 68 -8.227 -20.913 -18.921 1.00 0.00 C ATOM 598 O ASP A 68 -9.259 -20.725 -19.567 1.00 0.00 O ATOM 599 CB ASP A 68 -7.213 -22.742 -20.316 1.00 0.00 C ATOM 600 CG ASP A 68 -7.445 -23.850 -19.297 1.00 0.00 C ATOM 601 OD1 ASP A 68 -7.677 -23.530 -18.150 1.00 0.00 O ATOM 602 OD2 ASP A 68 -7.384 -25.007 -19.683 1.00 0.00 O ATOM 0 H ASP A 68 -6.171 -21.859 -17.713 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.669 -20.667 -20.346 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.080 -22.654 -20.971 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.360 -22.992 -20.947 1.00 0.00 H new ATOM 607 N LYS A 69 -8.145 -20.706 -17.613 1.00 0.00 N ATOM 608 CA LYS A 69 -9.299 -20.233 -16.861 1.00 0.00 C ATOM 609 C LYS A 69 -9.188 -18.749 -16.542 1.00 0.00 C ATOM 610 O LYS A 69 -10.022 -18.204 -15.821 1.00 0.00 O ATOM 611 CB LYS A 69 -9.437 -21.022 -15.563 1.00 0.00 C ATOM 612 CG LYS A 69 -9.539 -22.506 -15.894 1.00 0.00 C ATOM 613 CD LYS A 69 -9.746 -23.309 -14.610 1.00 0.00 C ATOM 614 CE LYS A 69 -11.058 -22.886 -13.951 1.00 0.00 C ATOM 615 NZ LYS A 69 -11.644 -24.045 -13.223 1.00 0.00 N ATOM 0 H LYS A 69 -7.303 -20.856 -17.057 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.182 -20.385 -17.481 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.578 -20.838 -14.917 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.322 -20.696 -15.016 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.368 -22.679 -16.580 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.632 -22.838 -16.400 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.767 -24.375 -14.835 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.913 -23.143 -13.926 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.881 -22.061 -13.261 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.757 -22.526 -14.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.537 -23.758 -12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.827 -24.819 -13.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.978 -24.369 -12.493 1.00 0.00 H new ATOM 629 N ILE A 70 -8.168 -18.086 -17.080 1.00 0.00 N ATOM 630 CA ILE A 70 -7.994 -16.661 -16.835 1.00 0.00 C ATOM 631 C ILE A 70 -8.269 -15.882 -18.114 1.00 0.00 C ATOM 632 O ILE A 70 -7.813 -16.257 -19.191 1.00 0.00 O ATOM 633 CB ILE A 70 -6.565 -16.368 -16.374 1.00 0.00 C ATOM 634 CG1 ILE A 70 -6.222 -17.240 -15.162 1.00 0.00 C ATOM 635 CG2 ILE A 70 -6.430 -14.889 -16.005 1.00 0.00 C ATOM 636 CD1 ILE A 70 -7.362 -17.210 -14.144 1.00 0.00 C ATOM 0 H ILE A 70 -7.459 -18.507 -17.680 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.693 -16.357 -16.056 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.874 -16.596 -17.186 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.040 -18.265 -15.484 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.302 -16.884 -14.698 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.410 -14.687 -15.678 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.660 -14.274 -16.875 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.124 -14.650 -15.199 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.103 -17.834 -13.289 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.524 -16.185 -13.809 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.273 -17.589 -14.607 1.00 0.00 H new ATOM 648 N CYS A 71 -9.023 -14.803 -17.986 1.00 0.00 N ATOM 649 CA CYS A 71 -9.363 -13.983 -19.145 1.00 0.00 C ATOM 650 C CYS A 71 -10.167 -14.802 -20.142 1.00 0.00 C ATOM 651 O CYS A 71 -9.831 -14.870 -21.326 1.00 0.00 O ATOM 652 CB CYS A 71 -8.090 -13.469 -19.811 1.00 0.00 C ATOM 653 SG CYS A 71 -7.165 -12.477 -18.619 1.00 0.00 S ATOM 0 H CYS A 71 -9.410 -14.474 -17.102 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.961 -13.134 -18.813 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -7.482 -14.305 -20.158 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.338 -12.870 -20.687 1.00 0.00 H new ATOM 658 N ASP A 72 -11.223 -15.435 -19.648 1.00 0.00 N ATOM 659 CA ASP A 72 -12.066 -16.270 -20.487 1.00 0.00 C ATOM 660 C ASP A 72 -12.299 -15.642 -21.855 1.00 0.00 C ATOM 661 O ASP A 72 -13.200 -14.822 -22.037 1.00 0.00 O ATOM 662 CB ASP A 72 -13.408 -16.508 -19.799 1.00 0.00 C ATOM 663 CG ASP A 72 -13.940 -17.889 -20.167 1.00 0.00 C ATOM 664 OD1 ASP A 72 -13.739 -18.294 -21.298 1.00 0.00 O ATOM 665 OD2 ASP A 72 -14.527 -18.527 -19.308 1.00 0.00 O ATOM 0 H ASP A 72 -11.514 -15.385 -18.672 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.550 -17.219 -20.635 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.292 -16.429 -18.718 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.122 -15.741 -20.100 1.00 0.00 H new ATOM 670 N ALA A 73 -11.486 -16.059 -22.814 1.00 0.00 N ATOM 671 CA ALA A 73 -11.599 -15.578 -24.183 1.00 0.00 C ATOM 672 C ALA A 73 -11.951 -16.757 -25.085 1.00 0.00 C ATOM 673 O ALA A 73 -12.395 -17.795 -24.595 1.00 0.00 O ATOM 674 CB ALA A 73 -10.274 -14.949 -24.626 1.00 0.00 C ATOM 0 H ALA A 73 -10.736 -16.734 -22.668 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.379 -14.819 -24.249 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.366 -14.591 -25.652 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.031 -14.113 -23.970 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.481 -15.695 -24.572 1.00 0.00 H new ATOM 680 N ASP A 74 -11.754 -16.617 -26.390 1.00 0.00 N ATOM 681 CA ASP A 74 -12.064 -17.716 -27.294 1.00 0.00 C ATOM 682 C ASP A 74 -11.217 -18.945 -26.925 1.00 0.00 C ATOM 683 O ASP A 74 -10.016 -18.826 -26.685 1.00 0.00 O ATOM 684 CB ASP A 74 -11.824 -17.284 -28.746 1.00 0.00 C ATOM 685 CG ASP A 74 -10.660 -16.299 -28.832 1.00 0.00 C ATOM 686 OD1 ASP A 74 -10.173 -15.895 -27.790 1.00 0.00 O ATOM 687 OD2 ASP A 74 -10.280 -15.955 -29.937 1.00 0.00 O ATOM 0 H ASP A 74 -11.390 -15.776 -26.837 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.115 -17.987 -27.196 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.612 -18.159 -29.360 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.727 -16.823 -29.147 1.00 0.00 H new ATOM 692 N PRO A 75 -11.830 -20.106 -26.830 1.00 0.00 N ATOM 693 CA PRO A 75 -11.130 -21.366 -26.419 1.00 0.00 C ATOM 694 C PRO A 75 -9.902 -21.704 -27.259 1.00 0.00 C ATOM 695 O PRO A 75 -8.924 -22.232 -26.733 1.00 0.00 O ATOM 696 CB PRO A 75 -12.184 -22.470 -26.548 1.00 0.00 C ATOM 697 CG PRO A 75 -13.398 -21.857 -27.160 1.00 0.00 C ATOM 698 CD PRO A 75 -13.253 -20.339 -27.107 1.00 0.00 C ATOM 0 HA PRO A 75 -10.740 -21.253 -25.407 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.812 -23.286 -27.168 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.418 -22.893 -25.571 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.512 -22.191 -28.191 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.293 -22.171 -26.623 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.553 -19.880 -28.049 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -13.883 -19.909 -26.328 1.00 0.00 H new ATOM 706 N PHE A 76 -9.947 -21.394 -28.545 1.00 0.00 N ATOM 707 CA PHE A 76 -8.821 -21.677 -29.425 1.00 0.00 C ATOM 708 C PHE A 76 -7.605 -20.899 -28.968 1.00 0.00 C ATOM 709 O PHE A 76 -6.467 -21.352 -29.096 1.00 0.00 O ATOM 710 CB PHE A 76 -9.178 -21.273 -30.852 1.00 0.00 C ATOM 711 CG PHE A 76 -10.280 -22.169 -31.355 1.00 0.00 C ATOM 712 CD1 PHE A 76 -9.971 -23.442 -31.842 1.00 0.00 C ATOM 713 CD2 PHE A 76 -11.609 -21.730 -31.328 1.00 0.00 C ATOM 714 CE1 PHE A 76 -10.991 -24.280 -32.304 1.00 0.00 C ATOM 715 CE2 PHE A 76 -12.632 -22.569 -31.791 1.00 0.00 C ATOM 716 CZ PHE A 76 -12.321 -23.843 -32.278 1.00 0.00 C ATOM 0 H PHE A 76 -10.744 -20.950 -29.001 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.598 -22.743 -29.393 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.498 -20.231 -30.879 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.303 -21.355 -31.496 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -8.945 -23.779 -31.862 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.846 -20.746 -30.951 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.753 -25.264 -32.681 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.658 -22.233 -31.772 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.108 -24.491 -32.635 1.00 0.00 H new ATOM 726 N GLN A 77 -7.865 -19.719 -28.438 1.00 0.00 N ATOM 727 CA GLN A 77 -6.802 -18.859 -27.960 1.00 0.00 C ATOM 728 C GLN A 77 -6.457 -19.182 -26.512 1.00 0.00 C ATOM 729 O GLN A 77 -5.573 -18.563 -25.924 1.00 0.00 O ATOM 730 CB GLN A 77 -7.234 -17.400 -28.074 1.00 0.00 C ATOM 731 CG GLN A 77 -7.521 -17.073 -29.539 1.00 0.00 C ATOM 732 CD GLN A 77 -7.828 -15.587 -29.688 1.00 0.00 C ATOM 733 OE1 GLN A 77 -7.961 -14.852 -28.621 1.00 0.00 O flip ATOM 734 NE2 GLN A 77 -7.950 -15.085 -30.805 1.00 0.00 N flip ATOM 0 H GLN A 77 -8.804 -19.335 -28.328 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.916 -19.028 -28.572 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.123 -17.223 -27.469 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.452 -16.746 -27.690 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.662 -17.339 -30.155 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.364 -17.665 -29.894 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.845 -15.664 -31.638 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.156 -14.090 -30.897 1.00 0.00 H new ATOM 743 N MET A 78 -7.158 -20.159 -25.944 1.00 0.00 N ATOM 744 CA MET A 78 -6.907 -20.554 -24.565 1.00 0.00 C ATOM 745 C MET A 78 -6.486 -22.021 -24.498 1.00 0.00 C ATOM 746 O MET A 78 -6.243 -22.555 -23.415 1.00 0.00 O ATOM 747 CB MET A 78 -8.152 -20.323 -23.703 1.00 0.00 C ATOM 748 CG MET A 78 -8.406 -18.816 -23.579 1.00 0.00 C ATOM 749 SD MET A 78 -8.810 -18.398 -21.860 1.00 0.00 S ATOM 750 CE MET A 78 -10.220 -19.516 -21.644 1.00 0.00 C ATOM 0 H MET A 78 -7.896 -20.685 -26.412 1.00 0.00 H new ATOM 0 HA MET A 78 -6.096 -19.939 -24.176 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.016 -20.814 -24.151 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.012 -20.763 -22.716 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.524 -18.262 -23.900 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.224 -18.521 -24.236 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.673 -19.346 -20.667 1.00 0.00 H new ATOM 0 HE2 MET A 78 -10.957 -19.326 -22.424 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.879 -20.549 -21.711 1.00 0.00 H new ATOM 760 N GLU A 79 -6.413 -22.672 -25.659 1.00 0.00 N ATOM 761 CA GLU A 79 -6.032 -24.082 -25.707 1.00 0.00 C ATOM 762 C GLU A 79 -4.618 -24.288 -25.187 1.00 0.00 C ATOM 763 O GLU A 79 -4.384 -25.162 -24.350 1.00 0.00 O ATOM 764 CB GLU A 79 -6.093 -24.604 -27.147 1.00 0.00 C ATOM 765 CG GLU A 79 -7.535 -24.920 -27.545 1.00 0.00 C ATOM 766 CD GLU A 79 -7.551 -25.576 -28.922 1.00 0.00 C ATOM 767 OE1 GLU A 79 -6.548 -25.486 -29.613 1.00 0.00 O ATOM 768 OE2 GLU A 79 -8.561 -26.164 -29.263 1.00 0.00 O ATOM 0 H GLU A 79 -6.610 -22.252 -26.567 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.734 -24.628 -25.077 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.677 -23.860 -27.827 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.480 -25.500 -27.241 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.989 -25.583 -26.809 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.128 -24.006 -27.559 1.00 0.00 H new ATOM 775 N ASN A 80 -3.667 -23.509 -25.689 1.00 0.00 N ATOM 776 CA ASN A 80 -2.284 -23.654 -25.267 1.00 0.00 C ATOM 777 C ASN A 80 -2.035 -22.966 -23.931 1.00 0.00 C ATOM 778 O ASN A 80 -2.068 -21.741 -23.829 1.00 0.00 O ATOM 779 CB ASN A 80 -1.362 -23.050 -26.327 1.00 0.00 C ATOM 780 CG ASN A 80 0.089 -23.412 -26.029 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.418 -24.584 -25.866 1.00 0.00 O ATOM 782 ND2 ASN A 80 0.984 -22.463 -25.954 1.00 0.00 N ATOM 0 H ASN A 80 -3.828 -22.778 -26.382 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.076 -24.717 -25.147 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.641 -23.418 -27.315 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.478 -21.966 -26.346 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.958 -22.695 -25.760 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.709 -21.490 -26.090 1.00 0.00 H new ATOM 789 N VAL A 81 -1.783 -23.772 -22.913 1.00 0.00 N ATOM 790 CA VAL A 81 -1.522 -23.248 -21.579 1.00 0.00 C ATOM 791 C VAL A 81 -0.031 -23.289 -21.280 1.00 0.00 C ATOM 792 O VAL A 81 0.379 -23.533 -20.146 1.00 0.00 O ATOM 793 CB VAL A 81 -2.276 -24.066 -20.537 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.771 -24.043 -20.861 1.00 0.00 C ATOM 795 CG2 VAL A 81 -1.774 -25.513 -20.561 1.00 0.00 C ATOM 0 H VAL A 81 -1.753 -24.789 -22.982 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.865 -22.214 -21.539 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.108 -23.639 -19.548 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.313 -24.627 -20.118 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.131 -23.014 -20.847 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.936 -24.471 -21.850 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.313 -26.098 -19.816 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.943 -25.940 -21.549 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.708 -25.532 -20.335 1.00 0.00 H new ATOM 805 N GLN A 82 0.776 -23.050 -22.307 1.00 0.00 N ATOM 806 CA GLN A 82 2.220 -23.059 -22.145 1.00 0.00 C ATOM 807 C GLN A 82 2.868 -21.960 -22.975 1.00 0.00 C ATOM 808 O GLN A 82 3.277 -22.181 -24.117 1.00 0.00 O ATOM 809 CB GLN A 82 2.794 -24.412 -22.566 1.00 0.00 C ATOM 810 CG GLN A 82 2.411 -25.471 -21.531 1.00 0.00 C ATOM 811 CD GLN A 82 3.181 -25.236 -20.237 1.00 0.00 C ATOM 812 OE1 GLN A 82 4.410 -25.288 -20.229 1.00 0.00 O ATOM 813 NE2 GLN A 82 2.532 -24.975 -19.137 1.00 0.00 N ATOM 0 H GLN A 82 0.455 -22.849 -23.254 1.00 0.00 H new ATOM 0 HA GLN A 82 2.438 -22.882 -21.092 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.412 -24.692 -23.548 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.879 -24.348 -22.653 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.339 -25.432 -21.338 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.629 -26.466 -21.918 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.513 -24.932 -19.144 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.043 -24.814 -18.269 1.00 0.00 H new ATOM 822 N CYS A 83 2.974 -20.775 -22.383 1.00 0.00 N ATOM 823 CA CYS A 83 3.588 -19.643 -23.050 1.00 0.00 C ATOM 824 C CYS A 83 4.331 -18.809 -22.012 1.00 0.00 C ATOM 825 O CYS A 83 3.732 -18.357 -21.038 1.00 0.00 O ATOM 826 CB CYS A 83 2.516 -18.796 -23.738 1.00 0.00 C ATOM 827 SG CYS A 83 3.193 -17.169 -24.150 1.00 0.00 S ATOM 0 H CYS A 83 2.640 -20.578 -21.440 1.00 0.00 H new ATOM 0 HA CYS A 83 4.287 -19.995 -23.809 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.169 -19.296 -24.643 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.651 -18.685 -23.084 1.00 0.00 H new ATOM 832 N TYR A 84 5.636 -18.614 -22.208 1.00 0.00 N ATOM 833 CA TYR A 84 6.427 -17.840 -21.250 1.00 0.00 C ATOM 834 C TYR A 84 7.308 -16.805 -21.936 1.00 0.00 C ATOM 835 O TYR A 84 7.711 -16.972 -23.089 1.00 0.00 O ATOM 836 CB TYR A 84 7.333 -18.773 -20.444 1.00 0.00 C ATOM 837 CG TYR A 84 6.499 -19.705 -19.607 1.00 0.00 C ATOM 838 CD1 TYR A 84 6.075 -20.929 -20.136 1.00 0.00 C ATOM 839 CD2 TYR A 84 6.151 -19.345 -18.300 1.00 0.00 C ATOM 840 CE1 TYR A 84 5.302 -21.795 -19.361 1.00 0.00 C ATOM 841 CE2 TYR A 84 5.377 -20.214 -17.522 1.00 0.00 C ATOM 842 CZ TYR A 84 4.951 -21.439 -18.053 1.00 0.00 C ATOM 843 OH TYR A 84 4.190 -22.294 -17.286 1.00 0.00 O ATOM 0 H TYR A 84 6.160 -18.974 -23.006 1.00 0.00 H new ATOM 0 HA TYR A 84 5.719 -17.325 -20.601 1.00 0.00 H new ATOM 0 HB2 TYR A 84 7.969 -19.347 -21.118 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.993 -18.188 -19.803 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.346 -21.204 -21.145 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.479 -18.400 -17.893 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.975 -22.739 -19.770 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.108 -19.940 -16.512 1.00 0.00 H new ATOM 0 HH TYR A 84 4.038 -21.895 -16.404 1.00 0.00 H new ATOM 853 N LEU A 85 7.620 -15.749 -21.197 1.00 0.00 N ATOM 854 CA LEU A 85 8.487 -14.688 -21.691 1.00 0.00 C ATOM 855 C LEU A 85 9.269 -14.091 -20.524 1.00 0.00 C ATOM 856 O LEU A 85 8.820 -13.139 -19.884 1.00 0.00 O ATOM 857 CB LEU A 85 7.665 -13.606 -22.379 1.00 0.00 C ATOM 858 CG LEU A 85 8.601 -12.513 -22.901 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.266 -12.991 -24.192 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.797 -11.243 -23.185 1.00 0.00 C ATOM 0 H LEU A 85 7.282 -15.604 -20.246 1.00 0.00 H new ATOM 0 HA LEU A 85 9.183 -15.105 -22.419 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.094 -14.035 -23.202 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.945 -13.181 -21.680 1.00 0.00 H new ATOM 0 HG LEU A 85 9.364 -12.300 -22.152 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.933 -12.215 -24.567 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.839 -13.897 -23.993 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.501 -13.203 -24.939 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.464 -10.465 -23.557 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.034 -11.455 -23.934 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.319 -10.902 -22.267 1.00 0.00 H new ATOM 872 N PRO A 86 10.402 -14.651 -20.222 1.00 0.00 N ATOM 873 CA PRO A 86 11.252 -14.196 -19.083 1.00 0.00 C ATOM 874 C PRO A 86 11.507 -12.681 -19.064 1.00 0.00 C ATOM 875 O PRO A 86 11.387 -12.048 -18.016 1.00 0.00 O ATOM 876 CB PRO A 86 12.561 -14.969 -19.269 1.00 0.00 C ATOM 877 CG PRO A 86 12.221 -16.161 -20.101 1.00 0.00 C ATOM 878 CD PRO A 86 11.000 -15.790 -20.938 1.00 0.00 C ATOM 0 HA PRO A 86 10.759 -14.389 -18.130 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.312 -14.351 -19.761 1.00 0.00 H new ATOM 0 HB3 PRO A 86 12.976 -15.270 -18.307 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.059 -16.435 -20.742 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.008 -17.023 -19.470 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.283 -15.517 -21.955 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.302 -16.623 -21.014 1.00 0.00 H new ATOM 886 N ASP A 87 11.889 -12.107 -20.203 1.00 0.00 N ATOM 887 CA ASP A 87 12.191 -10.674 -20.265 1.00 0.00 C ATOM 888 C ASP A 87 11.036 -9.813 -19.750 1.00 0.00 C ATOM 889 O ASP A 87 11.249 -8.686 -19.311 1.00 0.00 O ATOM 890 CB ASP A 87 12.519 -10.275 -21.703 1.00 0.00 C ATOM 891 CG ASP A 87 13.877 -10.844 -22.101 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.487 -11.500 -21.273 1.00 0.00 O ATOM 893 OD2 ASP A 87 14.289 -10.611 -23.226 1.00 0.00 O ATOM 0 H ASP A 87 11.997 -12.603 -21.088 1.00 0.00 H new ATOM 0 HA ASP A 87 13.050 -10.497 -19.618 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.747 -10.646 -22.378 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.528 -9.189 -21.795 1.00 0.00 H new ATOM 898 N ALA A 88 9.822 -10.331 -19.808 1.00 0.00 N ATOM 899 CA ALA A 88 8.668 -9.570 -19.336 1.00 0.00 C ATOM 900 C ALA A 88 8.895 -9.076 -17.903 1.00 0.00 C ATOM 901 O ALA A 88 8.395 -8.021 -17.511 1.00 0.00 O ATOM 902 CB ALA A 88 7.422 -10.455 -19.377 1.00 0.00 C ATOM 0 H ALA A 88 9.606 -11.260 -20.170 1.00 0.00 H new ATOM 0 HA ALA A 88 8.531 -8.706 -19.986 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.561 -9.887 -19.025 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.244 -10.786 -20.400 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.571 -11.323 -18.735 1.00 0.00 H new ATOM 908 N PHE A 89 9.653 -9.853 -17.134 1.00 0.00 N ATOM 909 CA PHE A 89 9.962 -9.520 -15.748 1.00 0.00 C ATOM 910 C PHE A 89 10.822 -8.262 -15.606 1.00 0.00 C ATOM 911 O PHE A 89 10.555 -7.406 -14.763 1.00 0.00 O ATOM 912 CB PHE A 89 10.704 -10.699 -15.116 1.00 0.00 C ATOM 913 CG PHE A 89 11.289 -10.269 -13.798 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.465 -10.123 -12.678 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.661 -10.008 -13.699 1.00 0.00 C ATOM 916 CE1 PHE A 89 11.012 -9.715 -11.458 1.00 0.00 C ATOM 917 CE2 PHE A 89 13.208 -9.603 -12.479 1.00 0.00 C ATOM 918 CZ PHE A 89 12.386 -9.455 -11.358 1.00 0.00 C ATOM 0 H PHE A 89 10.069 -10.728 -17.453 1.00 0.00 H new ATOM 0 HA PHE A 89 9.016 -9.319 -15.245 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.022 -11.536 -14.968 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.494 -11.046 -15.782 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.407 -10.325 -12.755 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.296 -10.120 -14.565 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.376 -9.600 -10.593 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.267 -9.404 -12.402 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.809 -9.141 -10.415 1.00 0.00 H new ATOM 928 N LYS A 90 11.861 -8.171 -16.424 1.00 0.00 N ATOM 929 CA LYS A 90 12.769 -7.026 -16.359 1.00 0.00 C ATOM 930 C LYS A 90 12.046 -5.743 -16.750 1.00 0.00 C ATOM 931 O LYS A 90 12.228 -4.701 -16.121 1.00 0.00 O ATOM 932 CB LYS A 90 13.975 -7.237 -17.285 1.00 0.00 C ATOM 933 CG LYS A 90 13.667 -6.695 -18.683 1.00 0.00 C ATOM 934 CD LYS A 90 14.871 -6.915 -19.599 1.00 0.00 C ATOM 935 CE LYS A 90 14.620 -6.212 -20.937 1.00 0.00 C ATOM 936 NZ LYS A 90 15.776 -5.330 -21.259 1.00 0.00 N ATOM 0 H LYS A 90 12.098 -8.865 -17.133 1.00 0.00 H new ATOM 0 HA LYS A 90 13.121 -6.937 -15.331 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.850 -6.732 -16.876 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.217 -8.298 -17.343 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.790 -7.196 -19.093 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.430 -5.633 -18.627 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.775 -6.523 -19.132 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.032 -7.981 -19.759 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.481 -6.950 -21.727 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.704 -5.624 -20.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.606 -4.853 -22.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.889 -4.618 -20.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.642 -5.903 -21.326 1.00 0.00 H new ATOM 950 N ILE A 91 11.244 -5.823 -17.800 1.00 0.00 N ATOM 951 CA ILE A 91 10.512 -4.662 -18.282 1.00 0.00 C ATOM 952 C ILE A 91 9.602 -4.101 -17.189 1.00 0.00 C ATOM 953 O ILE A 91 9.579 -2.890 -16.957 1.00 0.00 O ATOM 954 CB ILE A 91 9.709 -5.052 -19.530 1.00 0.00 C ATOM 955 CG1 ILE A 91 10.675 -5.539 -20.611 1.00 0.00 C ATOM 956 CG2 ILE A 91 8.939 -3.846 -20.066 1.00 0.00 C ATOM 957 CD1 ILE A 91 9.896 -5.915 -21.871 1.00 0.00 C ATOM 0 H ILE A 91 11.083 -6.677 -18.334 1.00 0.00 H new ATOM 0 HA ILE A 91 11.218 -3.876 -18.549 1.00 0.00 H new ATOM 0 HB ILE A 91 9.003 -5.839 -19.265 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.401 -4.759 -20.841 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.236 -6.400 -20.249 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.374 -4.139 -20.951 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.252 -3.484 -19.301 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.640 -3.054 -20.329 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.589 -6.261 -22.638 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.187 -6.709 -21.637 1.00 0.00 H new ATOM 0 HD13 ILE A 91 9.355 -5.043 -22.238 1.00 0.00 H new ATOM 969 N MET A 92 8.871 -4.978 -16.500 1.00 0.00 N ATOM 970 CA MET A 92 7.989 -4.531 -15.428 1.00 0.00 C ATOM 971 C MET A 92 8.810 -4.043 -14.240 1.00 0.00 C ATOM 972 O MET A 92 8.437 -3.086 -13.563 1.00 0.00 O ATOM 973 CB MET A 92 7.085 -5.683 -14.998 1.00 0.00 C ATOM 974 CG MET A 92 6.123 -6.012 -16.137 1.00 0.00 C ATOM 975 SD MET A 92 4.975 -4.632 -16.379 1.00 0.00 S ATOM 976 CE MET A 92 4.167 -4.722 -14.765 1.00 0.00 C ATOM 0 H MET A 92 8.873 -5.985 -16.663 1.00 0.00 H new ATOM 0 HA MET A 92 7.376 -3.706 -15.791 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.684 -6.558 -14.747 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.528 -5.410 -14.102 1.00 0.00 H new ATOM 0 HG2 MET A 92 6.680 -6.200 -17.055 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.570 -6.923 -15.908 1.00 0.00 H new ATOM 0 HE1 MET A 92 3.150 -5.094 -14.888 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.725 -5.397 -14.116 1.00 0.00 H new ATOM 0 HE3 MET A 92 4.139 -3.729 -14.316 1.00 0.00 H new ATOM 986 N SER A 93 9.939 -4.701 -14.001 1.00 0.00 N ATOM 987 CA SER A 93 10.821 -4.327 -12.902 1.00 0.00 C ATOM 988 C SER A 93 11.323 -2.896 -13.090 1.00 0.00 C ATOM 989 O SER A 93 11.272 -2.089 -12.168 1.00 0.00 O ATOM 990 CB SER A 93 12.000 -5.299 -12.867 1.00 0.00 C ATOM 991 OG SER A 93 11.510 -6.625 -12.702 1.00 0.00 O ATOM 0 H SER A 93 10.265 -5.495 -14.553 1.00 0.00 H new ATOM 0 HA SER A 93 10.275 -4.376 -11.960 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.576 -5.224 -13.789 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.673 -5.043 -12.049 1.00 0.00 H new ATOM 0 HG SER A 93 11.539 -7.094 -13.562 1.00 0.00 H new ATOM 997 N GLN A 94 11.782 -2.590 -14.301 1.00 0.00 N ATOM 998 CA GLN A 94 12.273 -1.254 -14.624 1.00 0.00 C ATOM 999 C GLN A 94 11.148 -0.215 -14.527 1.00 0.00 C ATOM 1000 O GLN A 94 11.366 0.924 -14.110 1.00 0.00 O ATOM 1001 CB GLN A 94 12.834 -1.250 -16.053 1.00 0.00 C ATOM 1002 CG GLN A 94 14.089 -2.129 -16.136 1.00 0.00 C ATOM 1003 CD GLN A 94 14.630 -2.129 -17.566 1.00 0.00 C ATOM 1004 OE1 GLN A 94 14.249 -1.282 -18.375 1.00 0.00 O ATOM 1005 NE2 GLN A 94 15.494 -3.040 -17.933 1.00 0.00 N ATOM 0 H GLN A 94 11.824 -3.251 -15.076 1.00 0.00 H new ATOM 0 HA GLN A 94 13.053 -0.993 -13.908 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.079 -1.616 -16.748 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.076 -0.230 -16.353 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.850 -1.757 -15.450 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.852 -3.147 -15.828 1.00 0.00 H new ATOM 0 HE21 GLN A 94 15.810 -3.742 -17.264 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.851 -3.048 -18.888 1.00 0.00 H new ATOM 1014 N ARG A 95 9.958 -0.625 -14.953 1.00 0.00 N ATOM 1015 CA ARG A 95 8.785 0.249 -14.964 1.00 0.00 C ATOM 1016 C ARG A 95 8.125 0.451 -13.591 1.00 0.00 C ATOM 1017 O ARG A 95 7.549 1.509 -13.341 1.00 0.00 O ATOM 1018 CB ARG A 95 7.751 -0.320 -15.935 1.00 0.00 C ATOM 1019 CG ARG A 95 8.228 -0.123 -17.375 1.00 0.00 C ATOM 1020 CD ARG A 95 7.199 -0.720 -18.330 1.00 0.00 C ATOM 1021 NE ARG A 95 6.956 -2.110 -17.980 1.00 0.00 N ATOM 1022 CZ ARG A 95 6.506 -2.976 -18.877 1.00 0.00 C ATOM 1023 NH1 ARG A 95 6.276 -2.591 -20.100 1.00 0.00 N ATOM 1024 NH2 ARG A 95 6.327 -4.222 -18.541 1.00 0.00 N ATOM 0 H ARG A 95 9.777 -1.567 -15.299 1.00 0.00 H new ATOM 0 HA ARG A 95 9.141 1.231 -15.275 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.596 -1.380 -15.735 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.791 0.175 -15.789 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.363 0.938 -17.584 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.196 -0.602 -17.519 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.269 -0.154 -18.279 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.558 -0.651 -19.357 1.00 0.00 H new ATOM 0 HE ARG A 95 7.135 -2.425 -17.026 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.442 -1.621 -20.369 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.930 -3.259 -20.788 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.533 -4.528 -17.590 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.981 -4.891 -19.229 1.00 0.00 H new ATOM 1038 N CYS A 96 8.137 -0.566 -12.731 1.00 0.00 N ATOM 1039 CA CYS A 96 7.452 -0.444 -11.439 1.00 0.00 C ATOM 1040 C CYS A 96 8.377 -0.427 -10.221 1.00 0.00 C ATOM 1041 O CYS A 96 7.956 -0.007 -9.141 1.00 0.00 O ATOM 1042 CB CYS A 96 6.463 -1.602 -11.280 1.00 0.00 C ATOM 1043 SG CYS A 96 5.422 -1.721 -12.755 1.00 0.00 S ATOM 0 H CYS A 96 8.598 -1.461 -12.895 1.00 0.00 H new ATOM 0 HA CYS A 96 6.954 0.525 -11.462 1.00 0.00 H new ATOM 0 HB2 CYS A 96 7.003 -2.536 -11.128 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.843 -1.445 -10.397 1.00 0.00 H new ATOM 1048 N ASN A 97 9.606 -0.907 -10.353 1.00 0.00 N ATOM 1049 CA ASN A 97 10.494 -0.940 -9.195 1.00 0.00 C ATOM 1050 C ASN A 97 10.767 0.449 -8.635 1.00 0.00 C ATOM 1051 O ASN A 97 11.043 1.395 -9.373 1.00 0.00 O ATOM 1052 CB ASN A 97 11.814 -1.622 -9.538 1.00 0.00 C ATOM 1053 CG ASN A 97 11.585 -3.119 -9.698 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.509 -3.618 -9.363 1.00 0.00 O ATOM 1055 ND2 ASN A 97 12.533 -3.869 -10.177 1.00 0.00 N ATOM 0 H ASN A 97 10.003 -1.269 -11.220 1.00 0.00 H new ATOM 0 HA ASN A 97 9.978 -1.516 -8.427 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.223 -1.205 -10.459 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.546 -1.437 -8.752 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.387 -4.874 -10.277 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.422 -3.453 -10.453 1.00 0.00 H new ATOM 1062 N ASN A 98 10.702 0.538 -7.309 1.00 0.00 N ATOM 1063 CA ASN A 98 10.953 1.784 -6.598 1.00 0.00 C ATOM 1064 C ASN A 98 9.879 2.833 -6.871 1.00 0.00 C ATOM 1065 O ASN A 98 10.050 4.005 -6.531 1.00 0.00 O ATOM 1066 CB ASN A 98 12.342 2.322 -6.954 1.00 0.00 C ATOM 1067 CG ASN A 98 13.411 1.395 -6.381 1.00 0.00 C ATOM 1068 OD1 ASN A 98 13.093 0.397 -5.734 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.674 1.735 -6.607 1.00 0.00 N ATOM 0 H ASN A 98 10.475 -0.249 -6.701 1.00 0.00 H new ATOM 0 HA ASN A 98 10.916 1.567 -5.531 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.450 2.393 -8.036 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.467 3.329 -6.555 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.888 2.572 -7.149 1.00 0.00 H new ATOM 1075 N ARG A 99 8.760 2.410 -7.453 1.00 0.00 N ATOM 1076 CA ARG A 99 7.664 3.331 -7.723 1.00 0.00 C ATOM 1077 C ARG A 99 6.459 2.983 -6.866 1.00 0.00 C ATOM 1078 O ARG A 99 6.188 1.813 -6.603 1.00 0.00 O ATOM 1079 CB ARG A 99 7.230 3.263 -9.188 1.00 0.00 C ATOM 1080 CG ARG A 99 8.274 3.920 -10.089 1.00 0.00 C ATOM 1081 CD ARG A 99 7.675 4.072 -11.489 1.00 0.00 C ATOM 1082 NE ARG A 99 8.711 4.334 -12.479 1.00 0.00 N ATOM 1083 CZ ARG A 99 8.399 4.498 -13.760 1.00 0.00 C ATOM 1084 NH1 ARG A 99 7.150 4.442 -14.135 1.00 0.00 N ATOM 1085 NH2 ARG A 99 9.335 4.716 -14.645 1.00 0.00 N ATOM 0 H ARG A 99 8.591 1.447 -7.743 1.00 0.00 H new ATOM 0 HA ARG A 99 8.023 4.334 -7.492 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.089 2.223 -9.483 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.269 3.762 -9.312 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.560 4.894 -9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.178 3.313 -10.127 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.134 3.164 -11.756 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.951 4.887 -11.491 1.00 0.00 H new ATOM 0 HE ARG A 99 9.686 4.392 -12.186 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.418 4.273 -13.446 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.906 4.567 -15.118 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.312 4.761 -14.354 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.089 4.841 -15.627 1.00 0.00 H new ATOM 1099 N THR A 100 5.729 4.004 -6.451 1.00 0.00 N ATOM 1100 CA THR A 100 4.541 3.798 -5.641 1.00 0.00 C ATOM 1101 C THR A 100 3.446 3.182 -6.503 1.00 0.00 C ATOM 1102 O THR A 100 2.620 2.405 -6.026 1.00 0.00 O ATOM 1103 CB THR A 100 4.078 5.136 -5.070 1.00 0.00 C ATOM 1104 OG1 THR A 100 5.131 5.704 -4.304 1.00 0.00 O ATOM 1105 CG2 THR A 100 2.851 4.929 -4.183 1.00 0.00 C ATOM 0 H THR A 100 5.937 4.980 -6.661 1.00 0.00 H new ATOM 0 HA THR A 100 4.766 3.122 -4.816 1.00 0.00 H new ATOM 0 HB THR A 100 3.813 5.807 -5.887 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.840 6.564 -3.936 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.527 5.889 -3.780 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.045 4.493 -4.773 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.104 4.258 -3.363 1.00 0.00 H new ATOM 1113 N GLN A 101 3.458 3.535 -7.783 1.00 0.00 N ATOM 1114 CA GLN A 101 2.477 3.010 -8.728 1.00 0.00 C ATOM 1115 C GLN A 101 3.058 2.942 -10.134 1.00 0.00 C ATOM 1116 O GLN A 101 3.975 3.690 -10.474 1.00 0.00 O ATOM 1117 CB GLN A 101 1.220 3.884 -8.739 1.00 0.00 C ATOM 1118 CG GLN A 101 1.567 5.294 -9.231 1.00 0.00 C ATOM 1119 CD GLN A 101 0.396 5.872 -10.023 1.00 0.00 C ATOM 1120 OE1 GLN A 101 0.059 5.329 -11.163 1.00 0.00 O flip ATOM 1121 NE2 GLN A 101 -0.226 6.843 -9.593 1.00 0.00 N flip ATOM 0 H GLN A 101 4.134 4.181 -8.191 1.00 0.00 H new ATOM 0 HA GLN A 101 2.213 2.003 -8.406 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.464 3.440 -9.386 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.793 3.934 -7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.796 5.938 -8.382 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.459 5.261 -9.856 1.00 0.00 H new ATOM 0 HE21 GLN A 101 0.039 7.265 -8.703 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -1.006 7.226 -10.127 1.00 0.00 H new ATOM 1130 N CYS A 102 2.511 2.052 -10.951 1.00 0.00 N ATOM 1131 CA CYS A 102 2.975 1.905 -12.322 1.00 0.00 C ATOM 1132 C CYS A 102 1.881 1.296 -13.192 1.00 0.00 C ATOM 1133 O CYS A 102 1.266 0.298 -12.822 1.00 0.00 O ATOM 1134 CB CYS A 102 4.222 1.024 -12.359 1.00 0.00 C ATOM 1135 SG CYS A 102 3.741 -0.718 -12.260 1.00 0.00 S ATOM 0 H CYS A 102 1.750 1.425 -10.690 1.00 0.00 H new ATOM 0 HA CYS A 102 3.223 2.892 -12.714 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.780 1.206 -13.277 1.00 0.00 H new ATOM 0 HB3 CYS A 102 4.882 1.277 -11.529 1.00 0.00 H new ATOM 1140 N VAL A 103 1.653 1.892 -14.356 1.00 0.00 N ATOM 1141 CA VAL A 103 0.643 1.381 -15.278 1.00 0.00 C ATOM 1142 C VAL A 103 1.315 0.899 -16.552 1.00 0.00 C ATOM 1143 O VAL A 103 2.120 1.616 -17.147 1.00 0.00 O ATOM 1144 CB VAL A 103 -0.373 2.470 -15.615 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.419 1.913 -16.584 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -1.064 2.931 -14.328 1.00 0.00 C ATOM 0 H VAL A 103 2.148 2.722 -14.683 1.00 0.00 H new ATOM 0 HA VAL A 103 0.121 0.551 -14.802 1.00 0.00 H new ATOM 0 HB VAL A 103 0.137 3.314 -16.080 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.144 2.691 -16.824 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.927 1.581 -17.498 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.932 1.070 -16.121 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.790 3.709 -14.564 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.574 2.086 -13.866 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.320 3.327 -13.637 1.00 0.00 H new ATOM 1156 N VAL A 104 0.999 -0.319 -16.963 1.00 0.00 N ATOM 1157 CA VAL A 104 1.610 -0.873 -18.166 1.00 0.00 C ATOM 1158 C VAL A 104 0.587 -1.590 -19.041 1.00 0.00 C ATOM 1159 O VAL A 104 -0.268 -2.318 -18.540 1.00 0.00 O ATOM 1160 CB VAL A 104 2.717 -1.857 -17.772 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.420 -2.359 -19.033 1.00 0.00 C ATOM 1162 CG2 VAL A 104 3.735 -1.156 -16.865 1.00 0.00 C ATOM 0 H VAL A 104 0.336 -0.935 -16.493 1.00 0.00 H new ATOM 0 HA VAL A 104 2.025 -0.045 -18.741 1.00 0.00 H new ATOM 0 HB VAL A 104 2.278 -2.699 -17.236 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.208 -3.059 -18.756 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.698 -2.861 -19.677 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.856 -1.515 -19.567 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.520 -1.859 -16.587 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.175 -0.312 -17.396 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.235 -0.797 -15.966 1.00 0.00 H new ATOM 1172 N VAL A 105 0.694 -1.400 -20.355 1.00 0.00 N ATOM 1173 CA VAL A 105 -0.211 -2.072 -21.272 1.00 0.00 C ATOM 1174 C VAL A 105 0.173 -3.541 -21.327 1.00 0.00 C ATOM 1175 O VAL A 105 1.283 -3.878 -21.731 1.00 0.00 O ATOM 1176 CB VAL A 105 -0.127 -1.449 -22.669 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -1.099 -2.157 -23.619 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.500 0.029 -22.583 1.00 0.00 C ATOM 0 H VAL A 105 1.387 -0.797 -20.798 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.238 -1.964 -20.922 1.00 0.00 H new ATOM 0 HB VAL A 105 0.889 -1.557 -23.048 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.032 -1.707 -24.610 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.841 -3.214 -23.682 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.116 -2.054 -23.242 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.442 0.477 -23.575 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.516 0.126 -22.200 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.191 0.540 -21.913 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.726 -4.411 -20.885 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.429 -5.836 -20.866 1.00 0.00 C ATOM 1190 C ALA A 106 -0.409 -6.425 -22.268 1.00 0.00 C ATOM 1191 O ALA A 106 -0.914 -7.524 -22.488 1.00 0.00 O ATOM 1192 CB ALA A 106 -1.456 -6.585 -20.016 1.00 0.00 C ATOM 0 H ALA A 106 -1.653 -4.160 -20.540 1.00 0.00 H new ATOM 0 HA ALA A 106 0.563 -5.953 -20.430 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.219 -7.649 -20.013 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.430 -6.204 -18.995 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.452 -6.436 -20.434 1.00 0.00 H new ATOM 1198 N GLY A 107 0.163 -5.700 -23.218 1.00 0.00 N ATOM 1199 CA GLY A 107 0.222 -6.192 -24.585 1.00 0.00 C ATOM 1200 C GLY A 107 0.855 -5.165 -25.509 1.00 0.00 C ATOM 1201 O GLY A 107 1.985 -4.728 -25.287 1.00 0.00 O ATOM 0 H GLY A 107 0.586 -4.784 -23.071 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.797 -7.118 -24.617 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.783 -6.429 -24.933 1.00 0.00 H new ATOM 1205 N SER A 108 0.111 -4.783 -26.539 1.00 0.00 N ATOM 1206 CA SER A 108 0.592 -3.800 -27.499 1.00 0.00 C ATOM 1207 C SER A 108 2.117 -3.861 -27.616 1.00 0.00 C ATOM 1208 O SER A 108 2.734 -4.890 -27.335 1.00 0.00 O ATOM 1209 CB SER A 108 0.159 -2.402 -27.054 1.00 0.00 C ATOM 1210 OG SER A 108 0.380 -1.480 -28.108 1.00 0.00 O ATOM 0 H SER A 108 -0.826 -5.138 -26.730 1.00 0.00 H new ATOM 0 HA SER A 108 0.164 -4.022 -28.476 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.895 -2.407 -26.777 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.720 -2.100 -26.169 1.00 0.00 H new ATOM 0 HG SER A 108 0.434 -1.963 -28.959 1.00 0.00 H new ATOM 1216 N ASP A 109 2.715 -2.763 -28.063 1.00 0.00 N ATOM 1217 CA ASP A 109 4.164 -2.704 -28.243 1.00 0.00 C ATOM 1218 C ASP A 109 4.893 -2.770 -26.904 1.00 0.00 C ATOM 1219 O ASP A 109 6.122 -2.716 -26.858 1.00 0.00 O ATOM 1220 CB ASP A 109 4.552 -1.402 -28.944 1.00 0.00 C ATOM 1221 CG ASP A 109 3.783 -1.252 -30.251 1.00 0.00 C ATOM 1222 OD1 ASP A 109 3.489 -2.265 -30.866 1.00 0.00 O ATOM 1223 OD2 ASP A 109 3.499 -0.126 -30.615 1.00 0.00 O ATOM 0 H ASP A 109 2.223 -1.904 -28.307 1.00 0.00 H new ATOM 0 HA ASP A 109 4.455 -3.562 -28.849 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.342 -0.554 -28.292 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.624 -1.394 -29.142 1.00 0.00 H new ATOM 1228 N ALA A 110 4.140 -2.875 -25.814 1.00 0.00 N ATOM 1229 CA ALA A 110 4.753 -2.931 -24.494 1.00 0.00 C ATOM 1230 C ALA A 110 5.159 -4.352 -24.155 1.00 0.00 C ATOM 1231 O ALA A 110 5.906 -4.579 -23.202 1.00 0.00 O ATOM 1232 CB ALA A 110 3.780 -2.417 -23.434 1.00 0.00 C ATOM 0 H ALA A 110 3.121 -2.922 -25.818 1.00 0.00 H new ATOM 0 HA ALA A 110 5.641 -2.299 -24.506 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.252 -2.465 -22.453 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.511 -1.385 -23.657 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.882 -3.034 -23.435 1.00 0.00 H new ATOM 1238 N PHE A 111 4.665 -5.313 -24.924 1.00 0.00 N ATOM 1239 CA PHE A 111 5.000 -6.703 -24.669 1.00 0.00 C ATOM 1240 C PHE A 111 5.126 -7.491 -25.976 1.00 0.00 C ATOM 1241 O PHE A 111 4.208 -7.492 -26.792 1.00 0.00 O ATOM 1242 CB PHE A 111 3.917 -7.342 -23.812 1.00 0.00 C ATOM 1243 CG PHE A 111 4.086 -6.901 -22.382 1.00 0.00 C ATOM 1244 CD1 PHE A 111 5.130 -7.415 -21.611 1.00 0.00 C ATOM 1245 CD2 PHE A 111 3.193 -5.982 -21.828 1.00 0.00 C ATOM 1246 CE1 PHE A 111 5.282 -7.006 -20.279 1.00 0.00 C ATOM 1247 CE2 PHE A 111 3.341 -5.571 -20.495 1.00 0.00 C ATOM 1248 CZ PHE A 111 4.387 -6.086 -19.721 1.00 0.00 C ATOM 0 H PHE A 111 4.041 -5.158 -25.716 1.00 0.00 H new ATOM 0 HA PHE A 111 5.958 -6.728 -24.150 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.931 -7.055 -24.179 1.00 0.00 H new ATOM 0 HB3 PHE A 111 3.978 -8.428 -23.879 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.820 -8.127 -22.040 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.386 -5.586 -22.427 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.091 -7.401 -19.682 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.650 -4.860 -20.067 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.504 -5.774 -18.694 1.00 0.00 H new ATOM 1258 N PRO A 112 6.231 -8.167 -26.176 1.00 0.00 N ATOM 1259 CA PRO A 112 6.464 -8.990 -27.399 1.00 0.00 C ATOM 1260 C PRO A 112 5.285 -9.914 -27.707 1.00 0.00 C ATOM 1261 O PRO A 112 4.137 -9.612 -27.381 1.00 0.00 O ATOM 1262 CB PRO A 112 7.700 -9.822 -27.054 1.00 0.00 C ATOM 1263 CG PRO A 112 8.398 -9.110 -25.942 1.00 0.00 C ATOM 1264 CD PRO A 112 7.378 -8.206 -25.258 1.00 0.00 C ATOM 0 HA PRO A 112 6.589 -8.365 -28.283 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.416 -10.830 -26.751 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.354 -9.922 -27.920 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.813 -9.825 -25.231 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.232 -8.523 -26.327 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.091 -8.601 -24.284 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.784 -7.208 -25.090 1.00 0.00 H new ATOM 1272 N ASP A 113 5.592 -11.054 -28.318 1.00 0.00 N ATOM 1273 CA ASP A 113 4.573 -12.044 -28.651 1.00 0.00 C ATOM 1274 C ASP A 113 5.161 -13.449 -28.509 1.00 0.00 C ATOM 1275 O ASP A 113 5.574 -14.065 -29.492 1.00 0.00 O ATOM 1276 CB ASP A 113 4.056 -11.844 -30.078 1.00 0.00 C ATOM 1277 CG ASP A 113 2.697 -12.518 -30.228 1.00 0.00 C ATOM 1278 OD1 ASP A 113 2.377 -13.347 -29.395 1.00 0.00 O ATOM 1279 OD2 ASP A 113 1.998 -12.196 -31.176 1.00 0.00 O ATOM 0 H ASP A 113 6.539 -11.315 -28.593 1.00 0.00 H new ATOM 0 HA ASP A 113 3.736 -11.921 -27.964 1.00 0.00 H new ATOM 0 HB2 ASP A 113 3.972 -10.780 -30.300 1.00 0.00 H new ATOM 0 HB3 ASP A 113 4.763 -12.264 -30.794 1.00 0.00 H new ATOM 1284 N PRO A 114 5.231 -13.940 -27.297 1.00 0.00 N ATOM 1285 CA PRO A 114 5.809 -15.285 -26.989 1.00 0.00 C ATOM 1286 C PRO A 114 4.881 -16.427 -27.369 1.00 0.00 C ATOM 1287 O PRO A 114 5.233 -17.599 -27.225 1.00 0.00 O ATOM 1288 CB PRO A 114 5.996 -15.248 -25.475 1.00 0.00 C ATOM 1289 CG PRO A 114 4.946 -14.305 -24.985 1.00 0.00 C ATOM 1290 CD PRO A 114 4.757 -13.263 -26.078 1.00 0.00 C ATOM 0 HA PRO A 114 6.725 -15.465 -27.551 1.00 0.00 H new ATOM 0 HB2 PRO A 114 5.874 -16.239 -25.037 1.00 0.00 H new ATOM 0 HB3 PRO A 114 6.995 -14.902 -25.208 1.00 0.00 H new ATOM 0 HG2 PRO A 114 4.013 -14.832 -24.786 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.252 -13.835 -24.050 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.713 -12.963 -26.168 1.00 0.00 H new ATOM 0 HD3 PRO A 114 5.332 -12.360 -25.873 1.00 0.00 H new ATOM 1298 N CYS A 115 3.691 -16.086 -27.838 1.00 0.00 N ATOM 1299 CA CYS A 115 2.724 -17.105 -28.207 1.00 0.00 C ATOM 1300 C CYS A 115 1.602 -16.534 -29.070 1.00 0.00 C ATOM 1301 O CYS A 115 0.427 -16.553 -28.689 1.00 0.00 O ATOM 1302 CB CYS A 115 2.163 -17.754 -26.936 1.00 0.00 C ATOM 1303 SG CYS A 115 1.992 -16.506 -25.633 1.00 0.00 S ATOM 0 H CYS A 115 3.375 -15.125 -27.971 1.00 0.00 H new ATOM 0 HA CYS A 115 3.229 -17.862 -28.807 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.195 -18.209 -27.146 1.00 0.00 H new ATOM 0 HB3 CYS A 115 2.825 -18.553 -26.602 1.00 0.00 H new ATOM 1308 N PRO A 116 1.940 -16.053 -30.240 1.00 0.00 N ATOM 1309 CA PRO A 116 0.939 -15.502 -31.184 1.00 0.00 C ATOM 1310 C PRO A 116 -0.161 -16.521 -31.441 1.00 0.00 C ATOM 1311 O PRO A 116 0.098 -17.722 -31.504 1.00 0.00 O ATOM 1312 CB PRO A 116 1.715 -15.203 -32.474 1.00 0.00 C ATOM 1313 CG PRO A 116 3.123 -15.667 -32.261 1.00 0.00 C ATOM 1314 CD PRO A 116 3.302 -15.984 -30.773 1.00 0.00 C ATOM 0 HA PRO A 116 0.455 -14.608 -30.791 1.00 0.00 H new ATOM 0 HB2 PRO A 116 1.264 -15.718 -33.322 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.691 -14.137 -32.699 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.328 -16.551 -32.865 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.828 -14.897 -32.573 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.831 -16.926 -30.630 1.00 0.00 H new ATOM 0 HD3 PRO A 116 3.885 -15.212 -30.271 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.383 -16.045 -31.598 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.498 -16.938 -31.857 1.00 0.00 C ATOM 1324 C GLY A 117 -3.167 -17.391 -30.561 1.00 0.00 C ATOM 1325 O GLY A 117 -4.188 -18.080 -30.603 1.00 0.00 O ATOM 0 H GLY A 117 -1.627 -15.056 -31.551 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -3.230 -16.434 -32.488 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -2.147 -17.809 -32.410 1.00 0.00 H new ATOM 1329 N THR A 118 -2.613 -17.003 -29.408 1.00 0.00 N ATOM 1330 CA THR A 118 -3.204 -17.393 -28.128 1.00 0.00 C ATOM 1331 C THR A 118 -3.466 -16.146 -27.273 1.00 0.00 C ATOM 1332 O THR A 118 -2.715 -15.174 -27.355 1.00 0.00 O ATOM 1333 CB THR A 118 -2.262 -18.363 -27.404 1.00 0.00 C ATOM 1334 OG1 THR A 118 -2.013 -19.487 -28.237 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.903 -18.831 -26.100 1.00 0.00 C ATOM 0 H THR A 118 -1.772 -16.430 -29.336 1.00 0.00 H new ATOM 0 HA THR A 118 -4.156 -17.895 -28.301 1.00 0.00 H new ATOM 0 HB THR A 118 -1.324 -17.855 -27.181 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.410 -20.108 -27.777 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.229 -19.520 -25.590 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.095 -17.970 -25.459 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.843 -19.338 -26.318 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.520 -16.172 -26.445 1.00 0.00 N ATOM 1344 CA TYR A 119 -4.828 -15.019 -25.592 1.00 0.00 C ATOM 1345 C TYR A 119 -3.922 -15.059 -24.366 1.00 0.00 C ATOM 1346 O TYR A 119 -3.990 -15.987 -23.558 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.303 -15.044 -25.168 1.00 0.00 C ATOM 1348 CG TYR A 119 -6.716 -13.696 -24.614 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.153 -13.222 -23.423 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -7.665 -12.918 -25.295 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -6.539 -11.975 -22.913 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -8.048 -11.671 -24.782 1.00 0.00 C ATOM 1353 CZ TYR A 119 -7.485 -11.200 -23.591 1.00 0.00 C ATOM 1354 OH TYR A 119 -7.864 -9.971 -23.088 1.00 0.00 O ATOM 0 H TYR A 119 -5.160 -16.960 -26.349 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.653 -14.097 -26.147 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.929 -15.301 -26.022 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.459 -15.817 -24.415 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -5.421 -13.817 -22.897 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -8.100 -13.280 -26.215 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -6.104 -11.612 -21.994 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -8.779 -11.073 -25.307 1.00 0.00 H new ATOM 0 HH TYR A 119 -7.151 -9.318 -23.247 1.00 0.00 H new ATOM 1364 N LYS A 120 -3.036 -14.077 -24.273 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.061 -14.030 -23.189 1.00 0.00 C ATOM 1366 C LYS A 120 -2.544 -13.229 -21.973 1.00 0.00 C ATOM 1367 O LYS A 120 -3.728 -12.935 -21.800 1.00 0.00 O ATOM 1368 CB LYS A 120 -0.765 -13.410 -23.730 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.335 -14.173 -24.985 1.00 0.00 C ATOM 1370 CD LYS A 120 0.930 -13.543 -25.577 1.00 0.00 C ATOM 1371 CE LYS A 120 1.131 -14.073 -26.998 1.00 0.00 C ATOM 1372 NZ LYS A 120 0.519 -13.130 -27.973 1.00 0.00 N ATOM 0 H LYS A 120 -2.971 -13.302 -24.934 1.00 0.00 H new ATOM 0 HA LYS A 120 -1.902 -15.051 -22.843 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -0.920 -12.357 -23.964 1.00 0.00 H new ATOM 0 HB3 LYS A 120 0.019 -13.456 -22.974 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.149 -15.218 -24.739 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.138 -14.157 -25.722 1.00 0.00 H new ATOM 0 HD2 LYS A 120 0.839 -12.457 -25.589 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.795 -13.784 -24.959 1.00 0.00 H new ATOM 0 HE2 LYS A 120 2.195 -14.189 -27.207 1.00 0.00 H new ATOM 0 HE3 LYS A 120 0.678 -15.059 -27.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 1.033 -13.182 -28.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -0.477 -13.387 -28.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 0.573 -12.161 -27.600 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.568 -12.830 -21.181 1.00 0.00 N ATOM 1387 CA TYR A 121 -1.808 -11.995 -20.007 1.00 0.00 C ATOM 1388 C TYR A 121 -0.503 -11.594 -19.345 1.00 0.00 C ATOM 1389 O TYR A 121 0.576 -12.015 -19.761 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.751 -12.668 -18.998 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.165 -13.952 -18.463 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -1.072 -13.922 -17.587 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.736 -15.174 -18.827 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.552 -15.116 -17.080 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -2.220 -16.371 -18.317 1.00 0.00 C ATOM 1396 CZ TYR A 121 -1.127 -16.343 -17.444 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.619 -17.522 -16.943 1.00 0.00 O ATOM 0 H TYR A 121 -0.588 -13.071 -21.327 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.306 -11.091 -20.358 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -2.948 -11.985 -18.172 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.708 -12.875 -19.476 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.632 -12.977 -17.304 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.578 -15.195 -19.504 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.293 -15.094 -16.408 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.665 -17.315 -18.597 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.235 -17.362 -16.056 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.613 -10.786 -18.305 1.00 0.00 N ATOM 1408 CA LEU A 122 0.557 -10.334 -17.578 1.00 0.00 C ATOM 1409 C LEU A 122 0.344 -10.551 -16.089 1.00 0.00 C ATOM 1410 O LEU A 122 -0.605 -10.030 -15.504 1.00 0.00 O ATOM 1411 CB LEU A 122 0.791 -8.851 -17.869 1.00 0.00 C ATOM 1412 CG LEU A 122 1.991 -8.328 -17.072 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.297 -8.827 -17.701 1.00 0.00 C ATOM 1414 CD2 LEU A 122 1.978 -6.797 -17.098 1.00 0.00 C ATOM 0 H LEU A 122 -1.499 -10.431 -17.947 1.00 0.00 H new ATOM 0 HA LEU A 122 1.432 -10.901 -17.895 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.965 -8.707 -18.935 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.101 -8.279 -17.612 1.00 0.00 H new ATOM 0 HG LEU A 122 1.926 -8.689 -16.046 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.144 -8.450 -17.128 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.311 -9.917 -17.695 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.366 -8.469 -18.728 1.00 0.00 H new ATOM 0 HD21 LEU A 122 2.829 -6.416 -16.533 1.00 0.00 H new ATOM 0 HD22 LEU A 122 2.043 -6.450 -18.129 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.053 -6.433 -16.650 1.00 0.00 H new ATOM 1426 N GLU A 123 1.232 -11.325 -15.482 1.00 0.00 N ATOM 1427 CA GLU A 123 1.127 -11.602 -14.061 1.00 0.00 C ATOM 1428 C GLU A 123 2.383 -11.133 -13.352 1.00 0.00 C ATOM 1429 O GLU A 123 3.499 -11.460 -13.761 1.00 0.00 O ATOM 1430 CB GLU A 123 0.927 -13.097 -13.828 1.00 0.00 C ATOM 1431 CG GLU A 123 0.745 -13.353 -12.335 1.00 0.00 C ATOM 1432 CD GLU A 123 0.726 -14.851 -12.057 1.00 0.00 C ATOM 1433 OE1 GLU A 123 1.393 -15.576 -12.778 1.00 0.00 O ATOM 1434 OE2 GLU A 123 0.053 -15.250 -11.123 1.00 0.00 O ATOM 0 H GLU A 123 2.025 -11.767 -15.947 1.00 0.00 H new ATOM 0 HA GLU A 123 0.267 -11.066 -13.660 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.055 -13.449 -14.378 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.786 -13.654 -14.202 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.554 -12.882 -11.777 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.185 -12.900 -11.992 1.00 0.00 H new ATOM 1441 N VAL A 124 2.200 -10.331 -12.311 1.00 0.00 N ATOM 1442 CA VAL A 124 3.344 -9.790 -11.591 1.00 0.00 C ATOM 1443 C VAL A 124 3.175 -9.873 -10.076 1.00 0.00 C ATOM 1444 O VAL A 124 2.166 -9.434 -9.525 1.00 0.00 O ATOM 1445 CB VAL A 124 3.532 -8.326 -11.995 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.738 -7.738 -11.265 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.755 -8.238 -13.508 1.00 0.00 C ATOM 0 H VAL A 124 1.289 -10.045 -11.952 1.00 0.00 H new ATOM 0 HA VAL A 124 4.216 -10.388 -11.855 1.00 0.00 H new ATOM 0 HB VAL A 124 2.640 -7.761 -11.725 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.867 -6.696 -11.556 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.576 -7.796 -10.189 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.633 -8.302 -11.528 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.889 -7.195 -13.796 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.645 -8.806 -13.778 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.890 -8.650 -14.028 1.00 0.00 H new ATOM 1457 N GLN A 125 4.186 -10.425 -9.408 1.00 0.00 N ATOM 1458 CA GLN A 125 4.168 -10.545 -7.958 1.00 0.00 C ATOM 1459 C GLN A 125 5.161 -9.550 -7.376 1.00 0.00 C ATOM 1460 O GLN A 125 6.308 -9.475 -7.820 1.00 0.00 O ATOM 1461 CB GLN A 125 4.557 -11.969 -7.549 1.00 0.00 C ATOM 1462 CG GLN A 125 3.597 -12.954 -8.209 1.00 0.00 C ATOM 1463 CD GLN A 125 4.190 -13.474 -9.513 1.00 0.00 C ATOM 1464 OE1 GLN A 125 3.493 -13.381 -10.609 1.00 0.00 O flip ATOM 1465 NE2 GLN A 125 5.311 -13.979 -9.533 1.00 0.00 N flip ATOM 0 H GLN A 125 5.027 -10.795 -9.851 1.00 0.00 H new ATOM 0 HA GLN A 125 3.167 -10.335 -7.580 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.582 -12.181 -7.853 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.517 -12.074 -6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.398 -13.787 -7.534 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.642 -12.467 -8.404 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.854 -14.050 -8.672 1.00 0.00 H new ATOM 0 HE22 GLN A 125 5.698 -14.327 -10.410 1.00 0.00 H new ATOM 1474 N TYR A 126 4.719 -8.773 -6.400 1.00 0.00 N ATOM 1475 CA TYR A 126 5.587 -7.773 -5.804 1.00 0.00 C ATOM 1476 C TYR A 126 5.174 -7.446 -4.377 1.00 0.00 C ATOM 1477 O TYR A 126 4.140 -7.898 -3.891 1.00 0.00 O ATOM 1478 CB TYR A 126 5.529 -6.501 -6.649 1.00 0.00 C ATOM 1479 CG TYR A 126 4.115 -5.973 -6.641 1.00 0.00 C ATOM 1480 CD1 TYR A 126 3.175 -6.510 -7.526 1.00 0.00 C ATOM 1481 CD2 TYR A 126 3.744 -4.960 -5.752 1.00 0.00 C ATOM 1482 CE1 TYR A 126 1.861 -6.038 -7.523 1.00 0.00 C ATOM 1483 CE2 TYR A 126 2.426 -4.484 -5.749 1.00 0.00 C ATOM 1484 CZ TYR A 126 1.484 -5.025 -6.634 1.00 0.00 C ATOM 1485 OH TYR A 126 0.184 -4.562 -6.627 1.00 0.00 O ATOM 0 H TYR A 126 3.778 -8.814 -6.009 1.00 0.00 H new ATOM 0 HA TYR A 126 6.600 -8.174 -5.776 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.213 -5.752 -6.250 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.847 -6.712 -7.670 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.466 -7.291 -8.213 1.00 0.00 H new ATOM 0 HD2 TYR A 126 4.471 -4.545 -5.069 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.136 -6.454 -8.206 1.00 0.00 H new ATOM 0 HE2 TYR A 126 2.136 -3.700 -5.065 1.00 0.00 H new ATOM 0 HH TYR A 126 0.090 -3.860 -5.950 1.00 0.00 H new ATOM 1495 N ASP A 127 5.993 -6.638 -3.718 1.00 0.00 N ATOM 1496 CA ASP A 127 5.704 -6.222 -2.357 1.00 0.00 C ATOM 1497 C ASP A 127 5.904 -4.722 -2.223 1.00 0.00 C ATOM 1498 O ASP A 127 6.581 -4.102 -3.045 1.00 0.00 O ATOM 1499 CB ASP A 127 6.605 -6.961 -1.364 1.00 0.00 C ATOM 1500 CG ASP A 127 6.209 -8.429 -1.311 1.00 0.00 C ATOM 1501 OD1 ASP A 127 5.033 -8.706 -1.483 1.00 0.00 O ATOM 1502 OD2 ASP A 127 7.081 -9.253 -1.086 1.00 0.00 O ATOM 0 H ASP A 127 6.858 -6.260 -4.103 1.00 0.00 H new ATOM 0 HA ASP A 127 4.667 -6.468 -2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 127 7.649 -6.866 -1.664 1.00 0.00 H new ATOM 0 HB3 ASP A 127 6.516 -6.514 -0.374 1.00 0.00 H new ATOM 1507 N CYS A 128 5.323 -4.145 -1.184 1.00 0.00 N ATOM 1508 CA CYS A 128 5.456 -2.720 -0.951 1.00 0.00 C ATOM 1509 C CYS A 128 6.290 -2.488 0.295 1.00 0.00 C ATOM 1510 O CYS A 128 5.872 -2.807 1.405 1.00 0.00 O ATOM 1511 CB CYS A 128 4.071 -2.091 -0.788 1.00 0.00 C ATOM 1512 SG CYS A 128 3.153 -2.227 -2.344 1.00 0.00 S ATOM 0 H CYS A 128 4.758 -4.639 -0.493 1.00 0.00 H new ATOM 0 HA CYS A 128 5.953 -2.255 -1.803 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.526 -2.591 0.012 1.00 0.00 H new ATOM 0 HB3 CYS A 128 4.168 -1.044 -0.502 1.00 0.00 H new ATOM 1517 N VAL A 129 7.488 -1.962 0.100 1.00 0.00 N ATOM 1518 CA VAL A 129 8.389 -1.730 1.220 1.00 0.00 C ATOM 1519 C VAL A 129 8.612 -0.239 1.454 1.00 0.00 C ATOM 1520 O VAL A 129 8.415 0.569 0.548 1.00 0.00 O ATOM 1521 CB VAL A 129 9.724 -2.411 0.930 1.00 0.00 C ATOM 1522 CG1 VAL A 129 9.509 -3.924 0.866 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.259 -1.911 -0.411 1.00 0.00 C ATOM 0 H VAL A 129 7.857 -1.690 -0.811 1.00 0.00 H new ATOM 0 HA VAL A 129 7.939 -2.146 2.122 1.00 0.00 H new ATOM 0 HB VAL A 129 10.441 -2.178 1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 129 10.458 -4.418 0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 129 9.117 -4.276 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 129 8.798 -4.157 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.213 -2.393 -0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 129 9.546 -2.151 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.400 -0.831 -0.366 1.00 0.00 H new ATOM 1533 N PRO A 130 9.026 0.144 2.640 1.00 0.00 N ATOM 1534 CA PRO A 130 9.285 1.573 2.957 1.00 0.00 C ATOM 1535 C PRO A 130 10.322 2.176 2.025 1.00 0.00 C ATOM 1536 O PRO A 130 11.304 1.530 1.658 1.00 0.00 O ATOM 1537 CB PRO A 130 9.800 1.569 4.397 1.00 0.00 C ATOM 1538 CG PRO A 130 9.404 0.249 4.971 1.00 0.00 C ATOM 1539 CD PRO A 130 9.291 -0.727 3.799 1.00 0.00 C ATOM 0 HA PRO A 130 8.386 2.176 2.835 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.882 1.698 4.425 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.366 2.389 4.969 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.145 -0.097 5.692 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.455 0.327 5.502 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.208 -1.301 3.667 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.485 -1.445 3.952 1.00 0.00 H new ATOM 1547 N TYR A 131 10.100 3.423 1.658 1.00 0.00 N ATOM 1548 CA TYR A 131 11.029 4.117 0.780 1.00 0.00 C ATOM 1549 C TYR A 131 12.270 4.525 1.562 1.00 0.00 C ATOM 1550 O TYR A 131 12.169 4.990 2.695 1.00 0.00 O ATOM 1551 CB TYR A 131 10.363 5.348 0.166 1.00 0.00 C ATOM 1552 CG TYR A 131 11.318 5.978 -0.815 1.00 0.00 C ATOM 1553 CD1 TYR A 131 11.628 5.313 -2.005 1.00 0.00 C ATOM 1554 CD2 TYR A 131 11.900 7.219 -0.532 1.00 0.00 C ATOM 1555 CE1 TYR A 131 12.521 5.884 -2.916 1.00 0.00 C ATOM 1556 CE2 TYR A 131 12.794 7.795 -1.445 1.00 0.00 C ATOM 1557 CZ TYR A 131 13.105 7.127 -2.637 1.00 0.00 C ATOM 1558 OH TYR A 131 13.985 7.689 -3.535 1.00 0.00 O ATOM 0 H TYR A 131 9.293 3.974 1.949 1.00 0.00 H new ATOM 0 HA TYR A 131 11.321 3.445 -0.027 1.00 0.00 H new ATOM 0 HB2 TYR A 131 9.438 5.066 -0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 131 10.097 6.062 0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.176 4.356 -2.221 1.00 0.00 H new ATOM 0 HD2 TYR A 131 11.661 7.732 0.388 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.761 5.368 -3.834 1.00 0.00 H new ATOM 0 HE2 TYR A 131 13.243 8.753 -1.230 1.00 0.00 H new ATOM 0 HH TYR A 131 14.298 8.551 -3.190 1.00 0.00 H new ATOM 1568 N LYS A 132 13.441 4.339 0.965 1.00 0.00 N ATOM 1569 CA LYS A 132 14.685 4.684 1.646 1.00 0.00 C ATOM 1570 C LYS A 132 15.623 5.443 0.723 1.00 0.00 C ATOM 1571 O LYS A 132 15.830 5.063 -0.427 1.00 0.00 O ATOM 1572 CB LYS A 132 15.378 3.420 2.154 1.00 0.00 C ATOM 1573 CG LYS A 132 16.570 3.806 3.036 1.00 0.00 C ATOM 1574 CD LYS A 132 17.199 2.532 3.602 1.00 0.00 C ATOM 1575 CE LYS A 132 18.433 2.876 4.433 1.00 0.00 C ATOM 1576 NZ LYS A 132 19.553 1.980 4.029 1.00 0.00 N ATOM 0 H LYS A 132 13.557 3.958 0.026 1.00 0.00 H new ATOM 0 HA LYS A 132 14.436 5.326 2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 132 14.675 2.811 2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 132 15.716 2.815 1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 132 17.305 4.363 2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 132 16.244 4.458 3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 132 16.473 2.002 4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 132 17.475 1.862 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 132 18.711 3.919 4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 132 18.218 2.755 5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 20.399 2.207 4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 19.283 0.990 4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 19.760 2.117 3.019 1.00 0.00 H new ATOM 1590 N VAL A 133 16.191 6.517 1.246 1.00 0.00 N ATOM 1591 CA VAL A 133 17.120 7.336 0.484 1.00 0.00 C ATOM 1592 C VAL A 133 18.552 6.857 0.724 1.00 0.00 C ATOM 1593 O VAL A 133 18.969 6.680 1.865 1.00 0.00 O ATOM 1594 CB VAL A 133 16.964 8.801 0.904 1.00 0.00 C ATOM 1595 CG1 VAL A 133 17.316 8.955 2.385 1.00 0.00 C ATOM 1596 CG2 VAL A 133 17.892 9.679 0.065 1.00 0.00 C ATOM 0 H VAL A 133 16.025 6.843 2.198 1.00 0.00 H new ATOM 0 HA VAL A 133 16.902 7.247 -0.580 1.00 0.00 H new ATOM 0 HB VAL A 133 15.931 9.110 0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 133 17.204 9.999 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 133 16.649 8.335 2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 133 18.347 8.641 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 133 17.778 10.720 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 133 18.925 9.367 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 133 17.635 9.576 -0.989 1.00 0.00 H new ATOM 1606 N GLU A 134 19.289 6.635 -0.361 1.00 0.00 N ATOM 1607 CA GLU A 134 20.668 6.158 -0.267 1.00 0.00 C ATOM 1608 C GLU A 134 20.719 4.765 0.353 1.00 0.00 C ATOM 1609 O GLU A 134 20.433 3.812 -0.358 1.00 0.00 O ATOM 1610 CB GLU A 134 21.513 7.126 0.567 1.00 0.00 C ATOM 1611 CG GLU A 134 21.734 8.416 -0.223 1.00 0.00 C ATOM 1612 CD GLU A 134 22.443 8.103 -1.537 1.00 0.00 C ATOM 1613 OE1 GLU A 134 23.178 7.131 -1.572 1.00 0.00 O ATOM 1614 OE2 GLU A 134 22.242 8.842 -2.489 1.00 0.00 O ATOM 1615 OXT GLU A 134 21.048 4.668 1.522 1.00 0.00 O ATOM 0 H GLU A 134 18.956 6.777 -1.315 1.00 0.00 H new ATOM 0 HA GLU A 134 21.076 6.107 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 134 21.011 7.345 1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 134 22.471 6.669 0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 134 20.778 8.900 -0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 134 22.329 9.115 0.364 1.00 0.00 H new TER 1622 GLU A 134 HETATM 1623 C1 NAG A 135 15.756 0.913 -6.094 1.00 0.00 C HETATM 1624 C2 NAG A 135 16.594 0.398 -7.239 1.00 0.00 C HETATM 1625 C3 NAG A 135 17.716 -0.454 -6.699 1.00 0.00 C HETATM 1626 C4 NAG A 135 18.551 0.371 -5.755 1.00 0.00 C HETATM 1627 C5 NAG A 135 17.671 0.926 -4.650 1.00 0.00 C HETATM 1628 C6 NAG A 135 18.440 1.871 -3.726 1.00 0.00 C HETATM 1629 C7 NAG A 135 16.043 -0.362 -9.464 1.00 0.00 C HETATM 1630 C8 NAG A 135 15.173 -1.188 -10.380 1.00 0.00 C HETATM 1631 N2 NAG A 135 15.771 -0.390 -8.166 1.00 0.00 N HETATM 1632 O3 NAG A 135 18.524 -0.936 -7.784 1.00 0.00 O HETATM 1633 O4 NAG A 135 19.592 -0.440 -5.188 1.00 0.00 O HETATM 1634 O5 NAG A 135 16.561 1.669 -5.214 1.00 0.00 O HETATM 1635 O6 NAG A 135 19.171 2.857 -4.474 1.00 0.00 O HETATM 1636 O7 NAG A 135 16.966 0.304 -9.938 1.00 0.00 O HETATM 0 HO6 NAG A 135 19.651 3.447 -3.856 1.00 0.00 H new HETATM 0 HO4 NAG A 135 20.306 0.137 -4.844 1.00 0.00 H new HETATM 0 HO3 NAG A 135 19.454 -1.020 -7.487 1.00 0.00 H new HETATM 0 HN2 NAG A 135 14.997 -0.954 -7.815 1.00 0.00 H new HETATM 0 H83 NAG A 135 15.240 -2.238 -10.096 1.00 0.00 H new HETATM 0 H82 NAG A 135 14.138 -0.855 -10.297 1.00 0.00 H new HETATM 0 H81 NAG A 135 15.511 -1.068 -11.409 1.00 0.00 H new HETATM 0 H62 NAG A 135 17.744 2.368 -3.050 1.00 0.00 H new HETATM 0 H61 NAG A 135 19.130 1.296 -3.108 1.00 0.00 H new HETATM 0 H5 NAG A 135 17.316 0.070 -4.076 1.00 0.00 H new HETATM 0 H4 NAG A 135 19.004 1.197 -6.304 1.00 0.00 H new HETATM 0 H3 NAG A 135 17.305 -1.309 -6.163 1.00 0.00 H new HETATM 0 H2 NAG A 135 17.009 1.247 -7.781 1.00 0.00 H new