USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 801 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 98 ASNHD21 : A 98 ASN ND2 : A 135 NAG C1 :(H bumps) USER MOD Set 1.1: A 82 GLN : amide:sc= -0.614 K(o=-0.61,f=-1.7) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 66 THR OG1 : rot -56:sc= 0.448! USER MOD Set 2.2: A 121 TYR OH : rot 30:sc= 1.29 USER MOD Single : A 35 MET CE :methyl 166:sc= -0.941 (180deg=-1.51) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 151:sc= -0.963 (180deg=-3.88!) USER MOD Single : A 60 ASN : amide:sc= -1.9! C(o=-1.9!,f=-2.2!) USER MOD Single : A 62 ASN : amide:sc= -2.12! C(o=-2.1!,f=-2.3!) USER MOD Single : A 63 TYR OH : rot -164:sc= -4.72! USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= -0.0841 (180deg=-0.742) USER MOD Single : A 77 GLN : amide:sc= -4.74! C(o=-4.7!,f=-6.4!) USER MOD Single : A 78 MET CE :methyl -158:sc= -4.56! (180deg=-5.89!) USER MOD Single : A 80 ASN : amide:sc= 0.187 X(o=0.19,f=-0.1) USER MOD Single : A 90 LYS NZ :NH3+ -169:sc= -2.6 (180deg=-2.86!) USER MOD Single : A 92 MET CE :methyl -107:sc= -1.91! (180deg=-2.36) USER MOD Single : A 93 SER OG : rot 86:sc= 0.408! USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 97 ASN : amide:sc= -8.45! C(o=-8.4!,f=-18!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN :FLIP amide:sc= -0.262 F(o=-1.6!,f=-0.26) USER MOD Single : A 108 SER OG : rot 180:sc= 0.143 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 130:sc= -0.228 USER MOD Single : A 120 LYS NZ :NH3+ -110:sc= -0.578 (180deg=-2.88) USER MOD Single : A 125 GLN :FLIP amide:sc= -2.16! C(o=-2.9!,f=-2.2!) 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+ 134:sc= -0.125 (180deg=-0.706) USER MOD Single : A 135 NAG O3 : rot 149:sc= -0.121 USER MOD Single : A 135 NAG O4 : rot -162:sc= 1.16 USER MOD Single : A 135 NAG O6 : rot 180:sc= 0.961 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -7.068 -3.366 2.117 1.00 0.00 N ATOM 2 CA GLY A 29 -8.269 -3.922 2.805 1.00 0.00 C ATOM 3 C GLY A 29 -8.276 -5.439 2.658 1.00 0.00 C ATOM 4 O GLY A 29 -8.254 -6.169 3.651 1.00 0.00 O ATOM 0 HA2 GLY A 29 -8.258 -3.647 3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.177 -3.499 2.375 1.00 0.00 H new ATOM 10 N LEU A 30 -8.297 -5.911 1.413 1.00 0.00 N ATOM 11 CA LEU A 30 -8.295 -7.343 1.155 1.00 0.00 C ATOM 12 C LEU A 30 -6.963 -7.950 1.595 1.00 0.00 C ATOM 13 O LEU A 30 -5.905 -7.523 1.131 1.00 0.00 O ATOM 14 CB LEU A 30 -8.499 -7.614 -0.338 1.00 0.00 C ATOM 15 CG LEU A 30 -8.425 -6.299 -1.111 1.00 0.00 C ATOM 16 CD1 LEU A 30 -8.287 -6.595 -2.606 1.00 0.00 C ATOM 17 CD2 LEU A 30 -9.705 -5.494 -0.863 1.00 0.00 C ATOM 0 H LEU A 30 -8.315 -5.327 0.577 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.110 -7.797 1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.737 -8.304 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.465 -8.091 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.562 -5.724 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.234 -5.657 -3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.378 -7.171 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.150 -7.168 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.656 -4.554 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.567 -6.068 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.803 -5.286 0.202 1.00 0.00 H new ATOM 29 N PRO A 31 -6.982 -8.930 2.461 1.00 0.00 N ATOM 30 CA PRO A 31 -5.729 -9.582 2.930 1.00 0.00 C ATOM 31 C PRO A 31 -4.865 -10.022 1.755 1.00 0.00 C ATOM 32 O PRO A 31 -5.358 -10.644 0.814 1.00 0.00 O ATOM 33 CB PRO A 31 -6.206 -10.796 3.731 1.00 0.00 C ATOM 34 CG PRO A 31 -7.636 -10.536 4.083 1.00 0.00 C ATOM 35 CD PRO A 31 -8.180 -9.516 3.083 1.00 0.00 C ATOM 0 HA PRO A 31 -5.113 -8.905 3.522 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.111 -11.710 3.144 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.603 -10.929 4.629 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.214 -11.459 4.042 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.717 -10.155 5.101 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.820 -9.992 2.340 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.781 -8.755 3.581 1.00 0.00 H new ATOM 43 N PHE A 32 -3.577 -9.700 1.808 1.00 0.00 N ATOM 44 CA PHE A 32 -2.667 -10.069 0.729 1.00 0.00 C ATOM 45 C PHE A 32 -2.273 -11.534 0.823 1.00 0.00 C ATOM 46 O PHE A 32 -1.647 -12.069 -0.090 1.00 0.00 O ATOM 47 CB PHE A 32 -1.403 -9.202 0.779 1.00 0.00 C ATOM 48 CG PHE A 32 -0.685 -9.399 2.094 1.00 0.00 C ATOM 49 CD1 PHE A 32 -1.113 -8.710 3.235 1.00 0.00 C ATOM 50 CD2 PHE A 32 0.418 -10.264 2.173 1.00 0.00 C ATOM 51 CE1 PHE A 32 -0.442 -8.883 4.453 1.00 0.00 C ATOM 52 CE2 PHE A 32 1.089 -10.434 3.392 1.00 0.00 C ATOM 53 CZ PHE A 32 0.659 -9.744 4.531 1.00 0.00 C ATOM 0 H PHE A 32 -3.143 -9.190 2.577 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.187 -9.904 -0.215 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.742 -9.463 -0.047 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.669 -8.152 0.655 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.961 -8.044 3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.749 -10.798 1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.775 -8.352 5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.939 -11.098 3.452 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.176 -9.876 5.470 1.00 0.00 H new ATOM 63 N GLY A 33 -2.632 -12.181 1.924 1.00 0.00 N ATOM 64 CA GLY A 33 -2.284 -13.584 2.100 1.00 0.00 C ATOM 65 C GLY A 33 -0.769 -13.740 2.074 1.00 0.00 C ATOM 66 O GLY A 33 -0.150 -14.065 3.086 1.00 0.00 O ATOM 0 H GLY A 33 -3.154 -11.766 2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.682 -13.952 3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.735 -14.183 1.309 1.00 0.00 H new ATOM 70 N LEU A 34 -0.178 -13.492 0.910 1.00 0.00 N ATOM 71 CA LEU A 34 1.268 -13.587 0.759 1.00 0.00 C ATOM 72 C LEU A 34 1.723 -12.802 -0.468 1.00 0.00 C ATOM 73 O LEU A 34 1.368 -13.143 -1.597 1.00 0.00 O ATOM 74 CB LEU A 34 1.675 -15.054 0.627 1.00 0.00 C ATOM 75 CG LEU A 34 3.196 -15.159 0.532 1.00 0.00 C ATOM 76 CD1 LEU A 34 3.802 -15.073 1.933 1.00 0.00 C ATOM 77 CD2 LEU A 34 3.570 -16.496 -0.105 1.00 0.00 C ATOM 0 H LEU A 34 -0.676 -13.225 0.061 1.00 0.00 H new ATOM 0 HA LEU A 34 1.747 -13.161 1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.315 -15.620 1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.214 -15.491 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 34 3.582 -14.343 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.887 -15.148 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.532 -14.120 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.420 -15.889 2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.655 -16.575 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.185 -17.311 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.137 -16.557 -1.103 1.00 0.00 H new ATOM 89 N MET A 35 2.501 -11.744 -0.244 1.00 0.00 N ATOM 90 CA MET A 35 2.976 -10.924 -1.352 1.00 0.00 C ATOM 91 C MET A 35 1.795 -10.396 -2.143 1.00 0.00 C ATOM 92 O MET A 35 0.709 -10.973 -2.118 1.00 0.00 O ATOM 93 CB MET A 35 3.870 -11.752 -2.282 1.00 0.00 C ATOM 94 CG MET A 35 5.324 -11.297 -2.156 1.00 0.00 C ATOM 95 SD MET A 35 6.416 -12.603 -2.774 1.00 0.00 S ATOM 96 CE MET A 35 5.860 -12.586 -4.497 1.00 0.00 C ATOM 0 H MET A 35 2.810 -11.440 0.679 1.00 0.00 H new ATOM 0 HA MET A 35 3.551 -10.092 -0.946 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.789 -12.809 -2.031 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.535 -11.643 -3.313 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.480 -10.379 -2.722 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.558 -11.074 -1.115 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.569 -13.139 -5.113 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.877 -13.052 -4.567 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.799 -11.556 -4.849 1.00 0.00 H new ATOM 106 N ARG A 36 2.020 -9.311 -2.860 1.00 0.00 N ATOM 107 CA ARG A 36 0.974 -8.733 -3.673 1.00 0.00 C ATOM 108 C ARG A 36 1.034 -9.335 -5.064 1.00 0.00 C ATOM 109 O ARG A 36 2.115 -9.648 -5.564 1.00 0.00 O ATOM 110 CB ARG A 36 1.153 -7.222 -3.739 1.00 0.00 C ATOM 111 CG ARG A 36 1.009 -6.647 -2.332 1.00 0.00 C ATOM 112 CD ARG A 36 1.270 -5.147 -2.374 1.00 0.00 C ATOM 113 NE ARG A 36 1.110 -4.574 -1.044 1.00 0.00 N ATOM 114 CZ ARG A 36 1.990 -4.823 -0.079 1.00 0.00 C ATOM 115 NH1 ARG A 36 3.054 -5.533 -0.340 1.00 0.00 N ATOM 116 NH2 ARG A 36 1.792 -4.348 1.120 1.00 0.00 N ATOM 0 H ARG A 36 2.912 -8.817 -2.894 1.00 0.00 H new ATOM 0 HA ARG A 36 0.000 -8.949 -3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.133 -6.976 -4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.410 -6.783 -4.404 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.008 -6.843 -1.947 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.712 -7.132 -1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.278 -4.955 -2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.580 -4.669 -3.070 1.00 0.00 H new ATOM 0 HE ARG A 36 0.310 -3.972 -0.850 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.208 -5.894 -1.281 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.732 -5.726 0.397 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.963 -3.787 1.316 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.466 -4.538 1.862 1.00 0.00 H new ATOM 130 N ARG A 37 -0.117 -9.496 -5.690 1.00 0.00 N ATOM 131 CA ARG A 37 -0.156 -10.067 -7.023 1.00 0.00 C ATOM 132 C ARG A 37 -1.227 -9.408 -7.871 1.00 0.00 C ATOM 133 O ARG A 37 -2.341 -9.152 -7.415 1.00 0.00 O ATOM 134 CB ARG A 37 -0.426 -11.570 -6.946 1.00 0.00 C ATOM 135 CG ARG A 37 -0.554 -12.149 -8.359 1.00 0.00 C ATOM 136 CD ARG A 37 -0.975 -13.615 -8.273 1.00 0.00 C ATOM 137 NE ARG A 37 -2.368 -13.711 -7.853 1.00 0.00 N ATOM 138 CZ ARG A 37 -2.978 -14.887 -7.770 1.00 0.00 C ATOM 139 NH1 ARG A 37 -2.325 -15.977 -8.060 1.00 0.00 N ATOM 140 NH2 ARG A 37 -4.227 -14.954 -7.399 1.00 0.00 N ATOM 0 H ARG A 37 -1.026 -9.243 -5.303 1.00 0.00 H new ATOM 0 HA ARG A 37 0.814 -9.891 -7.488 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.384 -12.067 -6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.341 -11.756 -6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.288 -11.582 -8.931 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.396 -12.063 -8.886 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.845 -14.096 -9.242 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.336 -14.144 -7.566 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.882 -12.861 -7.619 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.348 -15.925 -8.350 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.791 -16.882 -7.997 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.738 -14.101 -7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.693 -15.859 -7.336 1.00 0.00 H new ATOM 154 N GLU A 38 -0.874 -9.153 -9.114 1.00 0.00 N ATOM 155 CA GLU A 38 -1.797 -8.544 -10.050 1.00 0.00 C ATOM 156 C GLU A 38 -1.727 -9.260 -11.380 1.00 0.00 C ATOM 157 O GLU A 38 -0.653 -9.656 -11.835 1.00 0.00 O ATOM 158 CB GLU A 38 -1.473 -7.063 -10.247 1.00 0.00 C ATOM 159 CG GLU A 38 -1.909 -6.267 -9.016 1.00 0.00 C ATOM 160 CD GLU A 38 -0.927 -6.496 -7.873 1.00 0.00 C ATOM 161 OE1 GLU A 38 0.153 -6.998 -8.139 1.00 0.00 O ATOM 162 OE2 GLU A 38 -1.268 -6.163 -6.750 1.00 0.00 O ATOM 0 H GLU A 38 0.047 -9.358 -9.500 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.804 -8.628 -9.642 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.404 -6.935 -10.414 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.982 -6.685 -11.134 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.957 -5.205 -9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.911 -6.571 -8.712 1.00 0.00 H new ATOM 169 N LEU A 39 -2.875 -9.417 -12.000 1.00 0.00 N ATOM 170 CA LEU A 39 -2.945 -10.080 -13.283 1.00 0.00 C ATOM 171 C LEU A 39 -3.902 -9.317 -14.187 1.00 0.00 C ATOM 172 O LEU A 39 -4.969 -8.892 -13.743 1.00 0.00 O ATOM 173 CB LEU A 39 -3.429 -11.518 -13.094 1.00 0.00 C ATOM 174 CG LEU A 39 -3.091 -12.342 -14.336 1.00 0.00 C ATOM 175 CD1 LEU A 39 -3.276 -13.829 -14.030 1.00 0.00 C ATOM 176 CD2 LEU A 39 -4.014 -11.934 -15.486 1.00 0.00 C ATOM 0 H LEU A 39 -3.772 -9.095 -11.637 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.957 -10.101 -13.742 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.958 -11.958 -12.215 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.505 -11.530 -12.919 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.055 -12.160 -14.622 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.035 -14.416 -14.916 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.615 -14.117 -13.213 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.311 -14.015 -13.742 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.773 -12.522 -16.372 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.051 -12.114 -15.202 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.877 -10.875 -15.705 1.00 0.00 H new ATOM 188 N ALA A 40 -3.524 -9.136 -15.444 1.00 0.00 N ATOM 189 CA ALA A 40 -4.374 -8.409 -16.377 1.00 0.00 C ATOM 190 C ALA A 40 -4.399 -9.109 -17.731 1.00 0.00 C ATOM 191 O ALA A 40 -3.388 -9.634 -18.194 1.00 0.00 O ATOM 192 CB ALA A 40 -3.861 -6.974 -16.536 1.00 0.00 C ATOM 0 H ALA A 40 -2.647 -9.477 -15.838 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.389 -8.385 -15.981 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.500 -6.434 -17.235 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.877 -6.473 -15.568 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.840 -6.993 -16.918 1.00 0.00 H new ATOM 198 N CYS A 41 -5.576 -9.137 -18.345 1.00 0.00 N ATOM 199 CA CYS A 41 -5.747 -9.799 -19.632 1.00 0.00 C ATOM 200 C CYS A 41 -4.974 -9.075 -20.730 1.00 0.00 C ATOM 201 O CYS A 41 -4.971 -7.847 -20.796 1.00 0.00 O ATOM 202 CB CYS A 41 -7.235 -9.837 -19.976 1.00 0.00 C ATOM 203 SG CYS A 41 -8.129 -10.679 -18.648 1.00 0.00 S ATOM 0 H CYS A 41 -6.424 -8.710 -17.973 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.354 -10.813 -19.563 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.617 -8.824 -20.103 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.389 -10.357 -20.921 1.00 0.00 H new ATOM 208 N GLU A 42 -4.300 -9.852 -21.582 1.00 0.00 N ATOM 209 CA GLU A 42 -3.507 -9.280 -22.669 1.00 0.00 C ATOM 210 C GLU A 42 -4.279 -8.223 -23.442 1.00 0.00 C ATOM 211 O GLU A 42 -5.455 -8.396 -23.757 1.00 0.00 O ATOM 212 CB GLU A 42 -3.074 -10.370 -23.648 1.00 0.00 C ATOM 213 CG GLU A 42 -2.181 -9.743 -24.718 1.00 0.00 C ATOM 214 CD GLU A 42 -1.767 -10.787 -25.748 1.00 0.00 C ATOM 215 OE1 GLU A 42 -2.244 -11.904 -25.654 1.00 0.00 O ATOM 216 OE2 GLU A 42 -0.979 -10.451 -26.616 1.00 0.00 O ATOM 0 H GLU A 42 -4.288 -10.871 -21.540 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.636 -8.815 -22.208 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.536 -11.158 -23.122 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.947 -10.833 -24.108 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.711 -8.928 -25.211 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.295 -9.311 -24.253 1.00 0.00 H new ATOM 223 N GLY A 43 -3.593 -7.135 -23.764 1.00 0.00 N ATOM 224 CA GLY A 43 -4.196 -6.057 -24.526 1.00 0.00 C ATOM 225 C GLY A 43 -4.770 -4.958 -23.642 1.00 0.00 C ATOM 226 O GLY A 43 -4.996 -3.845 -24.116 1.00 0.00 O ATOM 0 H GLY A 43 -2.618 -6.978 -23.508 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.448 -5.627 -25.193 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.989 -6.462 -25.155 1.00 0.00 H new ATOM 230 N TYR A 44 -5.003 -5.245 -22.364 1.00 0.00 N ATOM 231 CA TYR A 44 -5.545 -4.235 -21.467 1.00 0.00 C ATOM 232 C TYR A 44 -4.455 -3.724 -20.526 1.00 0.00 C ATOM 233 O TYR A 44 -3.524 -4.457 -20.194 1.00 0.00 O ATOM 234 CB TYR A 44 -6.688 -4.843 -20.650 1.00 0.00 C ATOM 235 CG TYR A 44 -7.814 -5.269 -21.569 1.00 0.00 C ATOM 236 CD1 TYR A 44 -7.734 -6.479 -22.276 1.00 0.00 C ATOM 237 CD2 TYR A 44 -8.946 -4.456 -21.707 1.00 0.00 C ATOM 238 CE1 TYR A 44 -8.785 -6.870 -23.117 1.00 0.00 C ATOM 239 CE2 TYR A 44 -9.993 -4.848 -22.548 1.00 0.00 C ATOM 240 CZ TYR A 44 -9.914 -6.055 -23.253 1.00 0.00 C ATOM 241 OH TYR A 44 -10.951 -6.441 -24.080 1.00 0.00 O ATOM 0 H TYR A 44 -4.828 -6.153 -21.934 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.920 -3.398 -22.057 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.325 -5.701 -20.085 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.055 -4.116 -19.925 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.863 -7.109 -22.172 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.011 -3.525 -21.163 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.723 -7.801 -23.660 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.864 -4.218 -22.654 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.657 -5.762 -24.058 1.00 0.00 H new ATOM 251 N PRO A 45 -4.555 -2.494 -20.092 1.00 0.00 N ATOM 252 CA PRO A 45 -3.560 -1.887 -19.160 1.00 0.00 C ATOM 253 C PRO A 45 -3.680 -2.423 -17.739 1.00 0.00 C ATOM 254 O PRO A 45 -4.770 -2.779 -17.290 1.00 0.00 O ATOM 255 CB PRO A 45 -3.875 -0.394 -19.209 1.00 0.00 C ATOM 256 CG PRO A 45 -5.311 -0.303 -19.611 1.00 0.00 C ATOM 257 CD PRO A 45 -5.622 -1.549 -20.445 1.00 0.00 C ATOM 0 HA PRO A 45 -2.538 -2.123 -19.457 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.708 0.074 -18.239 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.233 0.119 -19.925 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.955 -0.256 -18.733 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.493 0.603 -20.189 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.606 -1.952 -20.207 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.619 -1.325 -21.512 1.00 0.00 H new ATOM 265 N ILE A 46 -2.554 -2.460 -17.029 1.00 0.00 N ATOM 266 CA ILE A 46 -2.547 -2.935 -15.652 1.00 0.00 C ATOM 267 C ILE A 46 -2.091 -1.817 -14.730 1.00 0.00 C ATOM 268 O ILE A 46 -1.293 -0.967 -15.121 1.00 0.00 O ATOM 269 CB ILE A 46 -1.607 -4.124 -15.488 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.845 -4.751 -14.114 1.00 0.00 C ATOM 271 CG2 ILE A 46 -0.160 -3.638 -15.580 1.00 0.00 C ATOM 272 CD1 ILE A 46 -1.047 -6.049 -13.998 1.00 0.00 C ATOM 0 H ILE A 46 -1.643 -2.169 -17.383 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.559 -3.248 -15.396 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.793 -4.860 -16.270 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.545 -4.057 -13.329 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.907 -4.951 -13.974 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.516 -4.485 -15.463 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.006 -3.172 -16.551 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.030 -2.910 -14.791 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.218 -6.495 -13.018 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.368 -6.744 -14.774 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.015 -5.835 -14.119 1.00 0.00 H new ATOM 284 N GLU A 47 -2.619 -1.808 -13.516 1.00 0.00 N ATOM 285 CA GLU A 47 -2.270 -0.761 -12.567 1.00 0.00 C ATOM 286 C GLU A 47 -1.844 -1.328 -11.218 1.00 0.00 C ATOM 287 O GLU A 47 -2.578 -2.095 -10.597 1.00 0.00 O ATOM 288 CB GLU A 47 -3.470 0.156 -12.373 1.00 0.00 C ATOM 289 CG GLU A 47 -3.071 1.328 -11.483 1.00 0.00 C ATOM 290 CD GLU A 47 -4.300 2.182 -11.187 1.00 0.00 C ATOM 291 OE1 GLU A 47 -5.349 1.881 -11.729 1.00 0.00 O ATOM 292 OE2 GLU A 47 -4.173 3.123 -10.421 1.00 0.00 O ATOM 0 H GLU A 47 -3.281 -2.502 -13.168 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.424 -0.208 -12.975 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.823 0.521 -13.338 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.294 -0.395 -11.920 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.637 0.961 -10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.307 1.929 -11.976 1.00 0.00 H new ATOM 299 N LEU A 48 -0.666 -0.917 -10.757 1.00 0.00 N ATOM 300 CA LEU A 48 -0.157 -1.361 -9.465 1.00 0.00 C ATOM 301 C LEU A 48 -0.080 -0.184 -8.502 1.00 0.00 C ATOM 302 O LEU A 48 0.162 0.948 -8.921 1.00 0.00 O ATOM 303 CB LEU A 48 1.231 -1.971 -9.628 1.00 0.00 C ATOM 304 CG LEU A 48 1.194 -2.996 -10.754 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.584 -3.599 -10.942 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.210 -4.106 -10.398 1.00 0.00 C ATOM 0 H LEU A 48 -0.048 -0.279 -11.258 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.836 -2.113 -9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.960 -1.192 -9.852 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.545 -2.445 -8.698 1.00 0.00 H new ATOM 0 HG LEU A 48 0.879 -2.508 -11.676 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.557 -4.332 -11.748 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.292 -2.809 -11.194 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.897 -4.086 -10.019 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.183 -4.840 -11.203 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.527 -4.591 -9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.784 -3.681 -10.261 1.00 0.00 H new ATOM 318 N ARG A 49 -0.279 -0.445 -7.219 1.00 0.00 N ATOM 319 CA ARG A 49 -0.211 0.624 -6.232 1.00 0.00 C ATOM 320 C ARG A 49 0.171 0.095 -4.855 1.00 0.00 C ATOM 321 O ARG A 49 -0.439 -0.847 -4.346 1.00 0.00 O ATOM 322 CB ARG A 49 -1.553 1.355 -6.147 1.00 0.00 C ATOM 323 CG ARG A 49 -1.805 2.101 -7.455 1.00 0.00 C ATOM 324 CD ARG A 49 -2.977 3.065 -7.275 1.00 0.00 C ATOM 325 NE ARG A 49 -3.151 3.887 -8.467 1.00 0.00 N ATOM 326 CZ ARG A 49 -4.098 4.819 -8.517 1.00 0.00 C ATOM 327 NH1 ARG A 49 -4.952 4.925 -7.537 1.00 0.00 N ATOM 328 NH2 ARG A 49 -4.186 5.612 -9.551 1.00 0.00 N ATOM 0 H ARG A 49 -0.485 -1.370 -6.841 1.00 0.00 H new ATOM 0 HA ARG A 49 0.564 1.319 -6.556 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.357 0.643 -5.960 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.547 2.055 -5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.911 2.650 -7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.023 1.392 -8.254 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.890 2.504 -7.077 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.801 3.703 -6.409 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.540 3.745 -9.271 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.891 4.295 -6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.680 5.638 -7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.527 5.518 -10.324 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.914 6.326 -9.586 1.00 0.00 H new ATOM 342 N CYS A 50 1.169 0.729 -4.249 1.00 0.00 N ATOM 343 CA CYS A 50 1.609 0.338 -2.916 1.00 0.00 C ATOM 344 C CYS A 50 0.945 1.223 -1.872 1.00 0.00 C ATOM 345 O CYS A 50 0.679 2.397 -2.122 1.00 0.00 O ATOM 346 CB CYS A 50 3.129 0.450 -2.788 1.00 0.00 C ATOM 347 SG CYS A 50 3.894 -1.096 -3.328 1.00 0.00 S ATOM 0 H CYS A 50 1.685 1.509 -4.656 1.00 0.00 H new ATOM 0 HA CYS A 50 1.322 -0.701 -2.753 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.495 1.280 -3.392 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.403 0.662 -1.755 1.00 0.00 H new ATOM 352 N PRO A 51 0.673 0.686 -0.718 1.00 0.00 N ATOM 353 CA PRO A 51 0.025 1.453 0.375 1.00 0.00 C ATOM 354 C PRO A 51 0.964 2.502 0.960 1.00 0.00 C ATOM 355 O PRO A 51 2.187 2.364 0.893 1.00 0.00 O ATOM 356 CB PRO A 51 -0.336 0.391 1.419 1.00 0.00 C ATOM 357 CG PRO A 51 0.547 -0.782 1.140 1.00 0.00 C ATOM 358 CD PRO A 51 0.957 -0.705 -0.331 1.00 0.00 C ATOM 0 HA PRO A 51 -0.845 2.009 0.025 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.176 0.768 2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.387 0.114 1.345 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.426 -0.763 1.785 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.022 -1.715 1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.012 -0.947 -0.463 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.390 -1.410 -0.939 1.00 0.00 H new ATOM 366 N GLY A 52 0.389 3.528 1.569 1.00 0.00 N ATOM 367 CA GLY A 52 1.177 4.575 2.207 1.00 0.00 C ATOM 368 C GLY A 52 2.277 5.132 1.304 1.00 0.00 C ATOM 369 O GLY A 52 2.089 5.343 0.106 1.00 0.00 O ATOM 0 H GLY A 52 -0.620 3.659 1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.515 5.388 2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.628 4.179 3.117 1.00 0.00 H new ATOM 373 N SER A 53 3.429 5.360 1.925 1.00 0.00 N ATOM 374 CA SER A 53 4.597 5.895 1.232 1.00 0.00 C ATOM 375 C SER A 53 5.534 4.773 0.805 1.00 0.00 C ATOM 376 O SER A 53 6.723 4.998 0.555 1.00 0.00 O ATOM 377 CB SER A 53 5.340 6.870 2.140 1.00 0.00 C ATOM 378 OG SER A 53 6.145 6.140 3.051 1.00 0.00 O ATOM 0 H SER A 53 3.580 5.181 2.918 1.00 0.00 H new ATOM 0 HA SER A 53 4.256 6.420 0.340 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.960 7.539 1.544 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.629 7.493 2.683 1.00 0.00 H new ATOM 0 HG SER A 53 6.625 6.763 3.635 1.00 0.00 H new ATOM 384 N ASP A 54 4.991 3.565 0.711 1.00 0.00 N ATOM 385 CA ASP A 54 5.779 2.421 0.295 1.00 0.00 C ATOM 386 C ASP A 54 5.951 2.438 -1.217 1.00 0.00 C ATOM 387 O ASP A 54 5.239 3.156 -1.920 1.00 0.00 O ATOM 388 CB ASP A 54 5.093 1.124 0.707 1.00 0.00 C ATOM 389 CG ASP A 54 5.060 1.005 2.226 1.00 0.00 C ATOM 390 OD1 ASP A 54 5.735 1.784 2.878 1.00 0.00 O ATOM 391 OD2 ASP A 54 4.358 0.135 2.715 1.00 0.00 O ATOM 0 H ASP A 54 4.014 3.357 0.917 1.00 0.00 H new ATOM 0 HA ASP A 54 6.754 2.477 0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.078 1.099 0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.623 0.272 0.280 1.00 0.00 H new ATOM 396 N VAL A 55 6.889 1.644 -1.717 1.00 0.00 N ATOM 397 CA VAL A 55 7.119 1.584 -3.155 1.00 0.00 C ATOM 398 C VAL A 55 7.150 0.136 -3.638 1.00 0.00 C ATOM 399 O VAL A 55 7.549 -0.771 -2.908 1.00 0.00 O ATOM 400 CB VAL A 55 8.429 2.286 -3.501 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.328 3.755 -3.100 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.581 1.635 -2.736 1.00 0.00 C ATOM 0 H VAL A 55 7.494 1.042 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 55 6.298 2.093 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 55 8.614 2.203 -4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.261 4.264 -3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.506 4.224 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.145 3.828 -2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.515 2.139 -2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.399 1.718 -1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.652 0.583 -3.011 1.00 0.00 H new ATOM 412 N ILE A 56 6.692 -0.063 -4.869 1.00 0.00 N ATOM 413 CA ILE A 56 6.625 -1.393 -5.465 1.00 0.00 C ATOM 414 C ILE A 56 8.003 -1.971 -5.782 1.00 0.00 C ATOM 415 O ILE A 56 8.865 -1.292 -6.339 1.00 0.00 O ATOM 416 CB ILE A 56 5.818 -1.331 -6.763 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.412 -0.793 -6.475 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.717 -2.733 -7.368 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.608 -0.714 -7.777 1.00 0.00 C ATOM 0 H ILE A 56 6.359 0.685 -5.477 1.00 0.00 H new ATOM 0 HA ILE A 56 6.149 -2.043 -4.731 1.00 0.00 H new ATOM 0 HB ILE A 56 6.318 -0.666 -7.467 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.904 -1.442 -5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.477 0.194 -6.017 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.142 -2.690 -8.293 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.717 -3.111 -7.580 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.220 -3.399 -6.663 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.610 -0.331 -7.565 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.112 -0.047 -8.476 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.529 -1.708 -8.217 1.00 0.00 H new ATOM 431 N MET A 57 8.171 -3.252 -5.476 1.00 0.00 N ATOM 432 CA MET A 57 9.409 -3.951 -5.787 1.00 0.00 C ATOM 433 C MET A 57 9.057 -5.256 -6.484 1.00 0.00 C ATOM 434 O MET A 57 8.664 -6.236 -5.842 1.00 0.00 O ATOM 435 CB MET A 57 10.241 -4.230 -4.531 1.00 0.00 C ATOM 436 CG MET A 57 9.326 -4.570 -3.359 1.00 0.00 C ATOM 437 SD MET A 57 10.259 -5.515 -2.123 1.00 0.00 S ATOM 438 CE MET A 57 11.750 -4.491 -2.096 1.00 0.00 C ATOM 0 H MET A 57 7.466 -3.826 -5.014 1.00 0.00 H new ATOM 0 HA MET A 57 10.017 -3.320 -6.435 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.928 -5.055 -4.717 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.848 -3.358 -4.287 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.932 -3.656 -2.914 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.471 -5.149 -3.707 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.215 -4.551 -1.112 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.451 -4.849 -2.850 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.484 -3.456 -2.310 1.00 0.00 H new ATOM 448 N VAL A 58 9.178 -5.238 -7.808 1.00 0.00 N ATOM 449 CA VAL A 58 8.855 -6.406 -8.614 1.00 0.00 C ATOM 450 C VAL A 58 9.790 -7.555 -8.278 1.00 0.00 C ATOM 451 O VAL A 58 11.011 -7.429 -8.366 1.00 0.00 O ATOM 452 CB VAL A 58 8.936 -6.065 -10.103 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.537 -7.291 -10.933 1.00 0.00 C ATOM 454 CG2 VAL A 58 7.969 -4.917 -10.401 1.00 0.00 C ATOM 0 H VAL A 58 9.496 -4.429 -8.342 1.00 0.00 H new ATOM 0 HA VAL A 58 7.835 -6.714 -8.387 1.00 0.00 H new ATOM 0 HB VAL A 58 9.954 -5.772 -10.359 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.595 -7.047 -11.994 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.215 -8.116 -10.713 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.517 -7.583 -10.683 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.018 -4.665 -11.460 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.954 -5.221 -10.147 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.245 -4.045 -9.808 1.00 0.00 H new ATOM 464 N GLU A 59 9.203 -8.676 -7.887 1.00 0.00 N ATOM 465 CA GLU A 59 9.979 -9.851 -7.528 1.00 0.00 C ATOM 466 C GLU A 59 9.953 -10.852 -8.667 1.00 0.00 C ATOM 467 O GLU A 59 10.998 -11.323 -9.116 1.00 0.00 O ATOM 468 CB GLU A 59 9.401 -10.469 -6.256 1.00 0.00 C ATOM 469 CG GLU A 59 9.655 -9.518 -5.086 1.00 0.00 C ATOM 470 CD GLU A 59 9.204 -10.158 -3.779 1.00 0.00 C ATOM 471 OE1 GLU A 59 8.762 -11.295 -3.820 1.00 0.00 O ATOM 472 OE2 GLU A 59 9.317 -9.504 -2.755 1.00 0.00 O ATOM 0 H GLU A 59 8.193 -8.796 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 59 11.015 -9.566 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.332 -10.645 -6.374 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.864 -11.437 -6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.715 -9.272 -5.032 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.118 -8.583 -5.245 1.00 0.00 H new ATOM 479 N ASN A 60 8.755 -11.174 -9.135 1.00 0.00 N ATOM 480 CA ASN A 60 8.621 -12.122 -10.229 1.00 0.00 C ATOM 481 C ASN A 60 7.382 -11.803 -11.053 1.00 0.00 C ATOM 482 O ASN A 60 6.377 -11.325 -10.531 1.00 0.00 O ATOM 483 CB ASN A 60 8.534 -13.546 -9.677 1.00 0.00 C ATOM 484 CG ASN A 60 9.561 -13.729 -8.565 1.00 0.00 C ATOM 485 OD1 ASN A 60 10.737 -13.973 -8.837 1.00 0.00 O ATOM 486 ND2 ASN A 60 9.187 -13.619 -7.320 1.00 0.00 N ATOM 0 H ASN A 60 7.875 -10.799 -8.780 1.00 0.00 H new ATOM 0 HA ASN A 60 9.497 -12.044 -10.872 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.531 -13.738 -9.295 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.714 -14.267 -10.474 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.869 -13.735 -6.570 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.213 -13.417 -7.096 1.00 0.00 H new ATOM 493 N ALA A 61 7.473 -12.053 -12.351 1.00 0.00 N ATOM 494 CA ALA A 61 6.362 -11.773 -13.250 1.00 0.00 C ATOM 495 C ALA A 61 6.584 -12.454 -14.595 1.00 0.00 C ATOM 496 O ALA A 61 7.717 -12.746 -14.973 1.00 0.00 O ATOM 497 CB ALA A 61 6.236 -10.264 -13.459 1.00 0.00 C ATOM 0 H ALA A 61 8.298 -12.446 -12.803 1.00 0.00 H new ATOM 0 HA ALA A 61 5.445 -12.159 -12.804 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.404 -10.058 -14.132 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.056 -9.778 -12.500 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.158 -9.879 -13.894 1.00 0.00 H new ATOM 503 N ASN A 62 5.495 -12.711 -15.307 1.00 0.00 N ATOM 504 CA ASN A 62 5.590 -13.369 -16.602 1.00 0.00 C ATOM 505 C ASN A 62 4.459 -12.929 -17.530 1.00 0.00 C ATOM 506 O ASN A 62 3.326 -12.719 -17.090 1.00 0.00 O ATOM 507 CB ASN A 62 5.531 -14.883 -16.405 1.00 0.00 C ATOM 508 CG ASN A 62 5.851 -15.593 -17.711 1.00 0.00 C ATOM 509 OD1 ASN A 62 7.019 -15.788 -18.046 1.00 0.00 O ATOM 510 ND2 ASN A 62 4.874 -15.988 -18.476 1.00 0.00 N ATOM 0 H ASN A 62 4.546 -12.477 -15.014 1.00 0.00 H new ATOM 0 HA ASN A 62 6.537 -13.088 -17.063 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.240 -15.185 -15.635 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.540 -15.174 -16.057 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.075 -16.461 -19.357 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.907 -15.824 -18.194 1.00 0.00 H new ATOM 517 N TYR A 63 4.764 -12.816 -18.821 1.00 0.00 N ATOM 518 CA TYR A 63 3.764 -12.433 -19.810 1.00 0.00 C ATOM 519 C TYR A 63 3.568 -13.579 -20.794 1.00 0.00 C ATOM 520 O TYR A 63 4.520 -14.029 -21.431 1.00 0.00 O ATOM 521 CB TYR A 63 4.213 -11.179 -20.563 1.00 0.00 C ATOM 522 CG TYR A 63 3.256 -10.915 -21.700 1.00 0.00 C ATOM 523 CD1 TYR A 63 1.991 -10.382 -21.440 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.635 -11.214 -23.013 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.099 -10.150 -22.494 1.00 0.00 C ATOM 526 CE2 TYR A 63 2.747 -10.980 -24.067 1.00 0.00 C ATOM 527 CZ TYR A 63 1.478 -10.449 -23.809 1.00 0.00 C ATOM 528 OH TYR A 63 0.601 -10.229 -24.847 1.00 0.00 O ATOM 0 H TYR A 63 5.694 -12.984 -19.204 1.00 0.00 H new ATOM 0 HA TYR A 63 2.824 -12.217 -19.302 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.239 -10.324 -19.887 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.224 -11.313 -20.947 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.701 -10.149 -20.426 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.613 -11.626 -23.212 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.120 -9.741 -22.293 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.040 -11.209 -25.081 1.00 0.00 H new ATOM 0 HH TYR A 63 0.903 -10.719 -25.640 1.00 0.00 H new ATOM 538 N GLY A 64 2.339 -14.066 -20.892 1.00 0.00 N ATOM 539 CA GLY A 64 2.052 -15.187 -21.784 1.00 0.00 C ATOM 540 C GLY A 64 0.758 -15.871 -21.367 1.00 0.00 C ATOM 541 O GLY A 64 -0.201 -15.214 -20.967 1.00 0.00 O ATOM 0 H GLY A 64 1.534 -13.711 -20.375 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.970 -14.832 -22.811 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.875 -15.902 -21.758 1.00 0.00 H new ATOM 545 N ARG A 65 0.744 -17.199 -21.454 1.00 0.00 N ATOM 546 CA ARG A 65 -0.436 -17.962 -21.068 1.00 0.00 C ATOM 547 C ARG A 65 -0.039 -19.308 -20.469 1.00 0.00 C ATOM 548 O ARG A 65 0.559 -20.153 -21.137 1.00 0.00 O ATOM 549 CB ARG A 65 -1.363 -18.184 -22.262 1.00 0.00 C ATOM 550 CG ARG A 65 -2.487 -19.133 -21.846 1.00 0.00 C ATOM 551 CD ARG A 65 -3.727 -18.870 -22.700 1.00 0.00 C ATOM 552 NE ARG A 65 -4.603 -17.920 -22.022 1.00 0.00 N ATOM 553 CZ ARG A 65 -5.657 -17.394 -22.635 1.00 0.00 C ATOM 554 NH1 ARG A 65 -5.918 -17.720 -23.869 1.00 0.00 N ATOM 555 NH2 ARG A 65 -6.429 -16.552 -22.004 1.00 0.00 N ATOM 0 H ARG A 65 1.528 -17.762 -21.785 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.969 -17.382 -20.315 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.777 -17.234 -22.599 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.805 -18.604 -23.099 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.165 -20.168 -21.965 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.723 -18.992 -20.791 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.433 -18.477 -23.673 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.259 -19.804 -22.881 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.402 -17.655 -21.058 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.314 -18.378 -24.362 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.727 -17.318 -24.343 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.223 -16.297 -21.038 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.238 -16.149 -22.477 1.00 0.00 H new ATOM 569 N THR A 66 -0.381 -19.493 -19.200 1.00 0.00 N ATOM 570 CA THR A 66 -0.069 -20.729 -18.499 1.00 0.00 C ATOM 571 C THR A 66 -1.338 -21.317 -17.913 1.00 0.00 C ATOM 572 O THR A 66 -1.316 -22.344 -17.234 1.00 0.00 O ATOM 573 CB THR A 66 0.923 -20.437 -17.382 1.00 0.00 C ATOM 574 OG1 THR A 66 0.261 -19.747 -16.332 1.00 0.00 O ATOM 575 CG2 THR A 66 2.045 -19.565 -17.937 1.00 0.00 C ATOM 0 H THR A 66 -0.875 -18.801 -18.636 1.00 0.00 H new ATOM 0 HA THR A 66 0.368 -21.443 -19.197 1.00 0.00 H new ATOM 0 HB THR A 66 1.335 -21.369 -16.996 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.156 -18.934 -16.687 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.763 -19.349 -17.146 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.547 -20.091 -18.749 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.628 -18.631 -18.314 1.00 0.00 H new ATOM 583 N ASP A 67 -2.441 -20.648 -18.188 1.00 0.00 N ATOM 584 CA ASP A 67 -3.729 -21.089 -17.700 1.00 0.00 C ATOM 585 C ASP A 67 -4.801 -20.788 -18.733 1.00 0.00 C ATOM 586 O ASP A 67 -4.710 -19.806 -19.473 1.00 0.00 O ATOM 587 CB ASP A 67 -4.057 -20.384 -16.383 1.00 0.00 C ATOM 588 CG ASP A 67 -5.359 -20.932 -15.812 1.00 0.00 C ATOM 589 OD1 ASP A 67 -5.883 -21.874 -16.384 1.00 0.00 O ATOM 590 OD2 ASP A 67 -5.812 -20.404 -14.811 1.00 0.00 O ATOM 0 H ASP A 67 -2.469 -19.796 -18.748 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.696 -22.164 -17.525 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.246 -20.532 -15.670 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.145 -19.310 -16.547 1.00 0.00 H new ATOM 595 N ASP A 68 -5.836 -21.611 -18.750 1.00 0.00 N ATOM 596 CA ASP A 68 -6.947 -21.403 -19.664 1.00 0.00 C ATOM 597 C ASP A 68 -8.167 -20.974 -18.864 1.00 0.00 C ATOM 598 O ASP A 68 -9.272 -20.860 -19.391 1.00 0.00 O ATOM 599 CB ASP A 68 -7.249 -22.683 -20.448 1.00 0.00 C ATOM 600 CG ASP A 68 -7.708 -23.785 -19.501 1.00 0.00 C ATOM 601 OD1 ASP A 68 -7.966 -23.481 -18.349 1.00 0.00 O ATOM 602 OD2 ASP A 68 -7.800 -24.919 -19.944 1.00 0.00 O ATOM 0 H ASP A 68 -5.930 -22.426 -18.144 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.685 -20.625 -20.381 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.021 -22.488 -21.192 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.359 -23.005 -20.989 1.00 0.00 H new ATOM 607 N LYS A 69 -7.949 -20.771 -17.568 1.00 0.00 N ATOM 608 CA LYS A 69 -9.026 -20.381 -16.671 1.00 0.00 C ATOM 609 C LYS A 69 -9.001 -18.880 -16.389 1.00 0.00 C ATOM 610 O LYS A 69 -9.842 -18.371 -15.651 1.00 0.00 O ATOM 611 CB LYS A 69 -8.906 -21.151 -15.354 1.00 0.00 C ATOM 612 CG LYS A 69 -9.023 -22.649 -15.632 1.00 0.00 C ATOM 613 CD LYS A 69 -9.043 -23.417 -14.310 1.00 0.00 C ATOM 614 CE LYS A 69 -8.957 -24.919 -14.588 1.00 0.00 C ATOM 615 NZ LYS A 69 -9.942 -25.290 -15.641 1.00 0.00 N ATOM 0 H LYS A 69 -7.039 -20.870 -17.119 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.972 -20.621 -17.157 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.951 -20.932 -14.877 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.687 -20.836 -14.663 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.932 -22.854 -16.197 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.185 -22.982 -16.245 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.208 -23.104 -13.683 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.956 -23.190 -13.760 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.949 -25.182 -14.910 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.157 -25.480 -13.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.118 -26.314 -15.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.834 -24.780 -15.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.564 -25.035 -16.576 1.00 0.00 H new ATOM 629 N ILE A 70 -8.035 -18.171 -16.969 1.00 0.00 N ATOM 630 CA ILE A 70 -7.927 -16.729 -16.753 1.00 0.00 C ATOM 631 C ILE A 70 -8.211 -15.970 -18.050 1.00 0.00 C ATOM 632 O ILE A 70 -7.739 -16.355 -19.121 1.00 0.00 O ATOM 633 CB ILE A 70 -6.518 -16.384 -16.255 1.00 0.00 C ATOM 634 CG1 ILE A 70 -6.155 -17.283 -15.064 1.00 0.00 C ATOM 635 CG2 ILE A 70 -6.469 -14.917 -15.822 1.00 0.00 C ATOM 636 CD1 ILE A 70 -6.879 -16.798 -13.803 1.00 0.00 C ATOM 0 H ILE A 70 -7.324 -18.565 -17.585 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.662 -16.433 -16.004 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.803 -16.547 -17.062 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.432 -18.315 -15.279 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.077 -17.270 -14.903 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.467 -14.675 -15.469 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.719 -14.279 -16.670 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.187 -14.751 -15.019 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.616 -17.441 -12.963 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.580 -15.773 -13.583 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.956 -16.835 -13.965 1.00 0.00 H new ATOM 648 N CYS A 71 -8.987 -14.893 -17.946 1.00 0.00 N ATOM 649 CA CYS A 71 -9.330 -14.095 -19.121 1.00 0.00 C ATOM 650 C CYS A 71 -10.052 -14.968 -20.140 1.00 0.00 C ATOM 651 O CYS A 71 -9.547 -15.219 -21.234 1.00 0.00 O ATOM 652 CB CYS A 71 -8.061 -13.503 -19.740 1.00 0.00 C ATOM 653 SG CYS A 71 -7.216 -12.475 -18.511 1.00 0.00 S ATOM 0 H CYS A 71 -9.386 -14.555 -17.070 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.987 -13.279 -18.821 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -7.401 -14.302 -20.078 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.315 -12.907 -20.617 1.00 0.00 H new ATOM 658 N ASP A 72 -11.228 -15.453 -19.750 1.00 0.00 N ATOM 659 CA ASP A 72 -12.017 -16.333 -20.601 1.00 0.00 C ATOM 660 C ASP A 72 -12.275 -15.721 -21.977 1.00 0.00 C ATOM 661 O ASP A 72 -13.227 -14.962 -22.174 1.00 0.00 O ATOM 662 CB ASP A 72 -13.344 -16.653 -19.911 1.00 0.00 C ATOM 663 CG ASP A 72 -13.995 -17.867 -20.563 1.00 0.00 C ATOM 664 OD1 ASP A 72 -13.286 -18.613 -21.220 1.00 0.00 O ATOM 665 OD2 ASP A 72 -15.190 -18.040 -20.389 1.00 0.00 O ATOM 0 H ASP A 72 -11.655 -15.249 -18.846 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.447 -17.249 -20.756 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.174 -16.847 -18.852 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.012 -15.794 -19.975 1.00 0.00 H new ATOM 670 N ALA A 73 -11.423 -16.095 -22.926 1.00 0.00 N ATOM 671 CA ALA A 73 -11.529 -15.632 -24.304 1.00 0.00 C ATOM 672 C ALA A 73 -11.929 -16.807 -25.187 1.00 0.00 C ATOM 673 O ALA A 73 -12.431 -17.814 -24.690 1.00 0.00 O ATOM 674 CB ALA A 73 -10.182 -15.082 -24.778 1.00 0.00 C ATOM 0 H ALA A 73 -10.640 -16.727 -22.761 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.277 -14.841 -24.365 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.272 -14.739 -25.809 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.885 -14.248 -24.142 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.428 -15.867 -24.721 1.00 0.00 H new ATOM 680 N ASP A 74 -11.704 -16.694 -26.492 1.00 0.00 N ATOM 681 CA ASP A 74 -12.051 -17.783 -27.390 1.00 0.00 C ATOM 682 C ASP A 74 -11.277 -19.050 -26.998 1.00 0.00 C ATOM 683 O ASP A 74 -10.078 -18.992 -26.712 1.00 0.00 O ATOM 684 CB ASP A 74 -11.721 -17.382 -28.827 1.00 0.00 C ATOM 685 CG ASP A 74 -10.484 -16.489 -28.844 1.00 0.00 C ATOM 686 OD1 ASP A 74 -9.919 -16.266 -27.786 1.00 0.00 O ATOM 687 OD2 ASP A 74 -10.125 -16.034 -29.916 1.00 0.00 O ATOM 0 H ASP A 74 -11.292 -15.877 -26.942 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.118 -17.991 -27.315 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.546 -18.272 -29.432 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.566 -16.856 -29.271 1.00 0.00 H new ATOM 692 N PRO A 75 -11.933 -20.184 -26.953 1.00 0.00 N ATOM 693 CA PRO A 75 -11.280 -21.462 -26.551 1.00 0.00 C ATOM 694 C PRO A 75 -10.027 -21.771 -27.371 1.00 0.00 C ATOM 695 O PRO A 75 -9.066 -22.345 -26.854 1.00 0.00 O ATOM 696 CB PRO A 75 -12.350 -22.541 -26.757 1.00 0.00 C ATOM 697 CG PRO A 75 -13.528 -21.879 -27.398 1.00 0.00 C ATOM 698 CD PRO A 75 -13.354 -20.366 -27.271 1.00 0.00 C ATOM 0 HA PRO A 75 -10.933 -21.409 -25.519 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.970 -23.344 -27.388 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.632 -22.990 -25.805 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.601 -22.166 -28.447 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.452 -22.197 -26.915 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.622 -19.857 -28.197 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -13.992 -19.958 -26.487 1.00 0.00 H new ATOM 706 N PHE A 76 -10.041 -21.393 -28.646 1.00 0.00 N ATOM 707 CA PHE A 76 -8.898 -21.645 -29.524 1.00 0.00 C ATOM 708 C PHE A 76 -7.657 -20.917 -29.021 1.00 0.00 C ATOM 709 O PHE A 76 -6.543 -21.432 -29.119 1.00 0.00 O ATOM 710 CB PHE A 76 -9.218 -21.158 -30.940 1.00 0.00 C ATOM 711 CG PHE A 76 -10.320 -22.000 -31.541 1.00 0.00 C ATOM 712 CD1 PHE A 76 -10.015 -23.227 -32.142 1.00 0.00 C ATOM 713 CD2 PHE A 76 -11.645 -21.547 -31.507 1.00 0.00 C ATOM 714 CE1 PHE A 76 -11.035 -24.001 -32.707 1.00 0.00 C ATOM 715 CE2 PHE A 76 -12.665 -22.322 -32.071 1.00 0.00 C ATOM 716 CZ PHE A 76 -12.359 -23.550 -32.671 1.00 0.00 C ATOM 0 H PHE A 76 -10.823 -20.915 -29.093 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.703 -22.717 -29.530 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.522 -20.112 -30.913 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.325 -21.214 -31.563 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -8.993 -23.576 -32.170 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.880 -20.599 -31.045 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.800 -24.947 -33.171 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.687 -21.973 -32.044 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.145 -24.149 -33.106 1.00 0.00 H new ATOM 726 N GLN A 77 -7.856 -19.720 -28.488 1.00 0.00 N ATOM 727 CA GLN A 77 -6.744 -18.934 -27.975 1.00 0.00 C ATOM 728 C GLN A 77 -6.453 -19.304 -26.527 1.00 0.00 C ATOM 729 O GLN A 77 -5.434 -18.900 -25.965 1.00 0.00 O ATOM 730 CB GLN A 77 -7.075 -17.447 -28.071 1.00 0.00 C ATOM 731 CG GLN A 77 -7.285 -17.067 -29.536 1.00 0.00 C ATOM 732 CD GLN A 77 -7.461 -15.561 -29.661 1.00 0.00 C ATOM 733 OE1 GLN A 77 -6.920 -14.803 -28.858 1.00 0.00 O ATOM 734 NE2 GLN A 77 -8.201 -15.082 -30.620 1.00 0.00 N ATOM 0 H GLN A 77 -8.770 -19.275 -28.400 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.859 -19.148 -28.575 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.973 -17.225 -27.494 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.266 -16.855 -27.643 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.432 -17.393 -30.131 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.163 -17.578 -29.931 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.648 -15.715 -31.284 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.334 -14.074 -30.707 1.00 0.00 H new ATOM 743 N MET A 78 -7.356 -20.072 -25.928 1.00 0.00 N ATOM 744 CA MET A 78 -7.185 -20.497 -24.539 1.00 0.00 C ATOM 745 C MET A 78 -6.699 -21.936 -24.456 1.00 0.00 C ATOM 746 O MET A 78 -6.461 -22.452 -23.364 1.00 0.00 O ATOM 747 CB MET A 78 -8.501 -20.378 -23.778 1.00 0.00 C ATOM 748 CG MET A 78 -8.885 -18.908 -23.655 1.00 0.00 C ATOM 749 SD MET A 78 -10.326 -18.744 -22.566 1.00 0.00 S ATOM 750 CE MET A 78 -9.445 -18.808 -20.985 1.00 0.00 C ATOM 0 H MET A 78 -8.207 -20.412 -26.375 1.00 0.00 H new ATOM 0 HA MET A 78 -6.437 -19.843 -24.090 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.285 -20.928 -24.298 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.403 -20.823 -22.788 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.048 -18.335 -23.256 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.112 -18.497 -24.639 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.134 -19.112 -20.197 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.629 -19.528 -21.052 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.041 -17.822 -20.753 1.00 0.00 H new ATOM 760 N GLU A 79 -6.580 -22.595 -25.599 1.00 0.00 N ATOM 761 CA GLU A 79 -6.149 -23.988 -25.598 1.00 0.00 C ATOM 762 C GLU A 79 -4.719 -24.147 -25.085 1.00 0.00 C ATOM 763 O GLU A 79 -4.450 -25.056 -24.302 1.00 0.00 O ATOM 764 CB GLU A 79 -6.252 -24.591 -27.008 1.00 0.00 C ATOM 765 CG GLU A 79 -7.708 -24.922 -27.345 1.00 0.00 C ATOM 766 CD GLU A 79 -7.755 -26.137 -28.263 1.00 0.00 C ATOM 767 OE1 GLU A 79 -6.898 -26.994 -28.119 1.00 0.00 O ATOM 768 OE2 GLU A 79 -8.648 -26.199 -29.092 1.00 0.00 O ATOM 0 H GLU A 79 -6.770 -22.201 -26.520 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.816 -24.522 -24.921 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.854 -23.889 -27.740 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.644 -25.494 -27.069 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.267 -25.122 -26.431 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.183 -24.069 -27.829 1.00 0.00 H new ATOM 775 N ASN A 80 -3.792 -23.302 -25.532 1.00 0.00 N ATOM 776 CA ASN A 80 -2.399 -23.434 -25.097 1.00 0.00 C ATOM 777 C ASN A 80 -2.141 -22.810 -23.730 1.00 0.00 C ATOM 778 O ASN A 80 -2.304 -21.608 -23.542 1.00 0.00 O ATOM 779 CB ASN A 80 -1.464 -22.782 -26.114 1.00 0.00 C ATOM 780 CG ASN A 80 -0.021 -23.158 -25.792 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.309 -24.342 -25.711 1.00 0.00 O ATOM 782 ND2 ASN A 80 0.867 -22.219 -25.599 1.00 0.00 N ATOM 0 H ASN A 80 -3.971 -22.535 -26.180 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.203 -24.504 -25.021 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.720 -23.109 -27.122 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.583 -21.699 -26.091 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.832 -22.467 -25.382 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.595 -21.238 -25.666 1.00 0.00 H new ATOM 789 N VAL A 81 -1.723 -23.654 -22.792 1.00 0.00 N ATOM 790 CA VAL A 81 -1.419 -23.210 -21.438 1.00 0.00 C ATOM 791 C VAL A 81 0.082 -23.295 -21.153 1.00 0.00 C ATOM 792 O VAL A 81 0.494 -23.478 -20.007 1.00 0.00 O ATOM 793 CB VAL A 81 -2.191 -24.054 -20.425 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.689 -23.950 -20.715 1.00 0.00 C ATOM 795 CG2 VAL A 81 -1.754 -25.515 -20.536 1.00 0.00 C ATOM 0 H VAL A 81 -1.587 -24.653 -22.947 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.724 -22.168 -21.347 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.986 -23.689 -19.418 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.242 -24.551 -19.993 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.003 -22.909 -20.637 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.891 -24.315 -21.722 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.306 -26.116 -19.813 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.958 -25.880 -21.542 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.686 -25.592 -20.332 1.00 0.00 H new ATOM 805 N GLN A 82 0.898 -23.136 -22.196 1.00 0.00 N ATOM 806 CA GLN A 82 2.353 -23.170 -22.035 1.00 0.00 C ATOM 807 C GLN A 82 3.003 -22.097 -22.901 1.00 0.00 C ATOM 808 O GLN A 82 3.491 -22.378 -23.995 1.00 0.00 O ATOM 809 CB GLN A 82 2.916 -24.536 -22.435 1.00 0.00 C ATOM 810 CG GLN A 82 2.552 -25.585 -21.380 1.00 0.00 C ATOM 811 CD GLN A 82 3.267 -25.286 -20.065 1.00 0.00 C ATOM 812 OE1 GLN A 82 4.462 -24.996 -20.057 1.00 0.00 O ATOM 813 NE2 GLN A 82 2.601 -25.356 -18.944 1.00 0.00 N ATOM 0 H GLN A 82 0.580 -22.984 -23.153 1.00 0.00 H new ATOM 0 HA GLN A 82 2.576 -22.985 -20.984 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.518 -24.832 -23.406 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.999 -24.475 -22.540 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.474 -25.592 -21.222 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.829 -26.578 -21.734 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.610 -25.597 -18.954 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.072 -25.170 -18.059 1.00 0.00 H new ATOM 822 N CYS A 83 3.016 -20.873 -22.396 1.00 0.00 N ATOM 823 CA CYS A 83 3.613 -19.752 -23.106 1.00 0.00 C ATOM 824 C CYS A 83 4.292 -18.855 -22.080 1.00 0.00 C ATOM 825 O CYS A 83 3.631 -18.343 -21.177 1.00 0.00 O ATOM 826 CB CYS A 83 2.514 -18.984 -23.848 1.00 0.00 C ATOM 827 SG CYS A 83 3.084 -17.325 -24.286 1.00 0.00 S ATOM 0 H CYS A 83 2.616 -20.630 -21.490 1.00 0.00 H new ATOM 0 HA CYS A 83 4.346 -20.096 -23.835 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.229 -19.526 -24.749 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.624 -18.916 -23.222 1.00 0.00 H new ATOM 832 N TYR A 84 5.604 -18.676 -22.189 1.00 0.00 N ATOM 833 CA TYR A 84 6.309 -17.854 -21.216 1.00 0.00 C ATOM 834 C TYR A 84 7.216 -16.826 -21.892 1.00 0.00 C ATOM 835 O TYR A 84 7.641 -17.006 -23.031 1.00 0.00 O ATOM 836 CB TYR A 84 7.137 -18.755 -20.292 1.00 0.00 C ATOM 837 CG TYR A 84 6.236 -19.769 -19.618 1.00 0.00 C ATOM 838 CD1 TYR A 84 5.925 -20.972 -20.268 1.00 0.00 C ATOM 839 CD2 TYR A 84 5.718 -19.511 -18.343 1.00 0.00 C ATOM 840 CE1 TYR A 84 5.095 -21.913 -19.643 1.00 0.00 C ATOM 841 CE2 TYR A 84 4.891 -20.455 -17.717 1.00 0.00 C ATOM 842 CZ TYR A 84 4.579 -21.655 -18.368 1.00 0.00 C ATOM 843 OH TYR A 84 3.763 -22.584 -17.753 1.00 0.00 O ATOM 0 H TYR A 84 6.188 -19.078 -22.922 1.00 0.00 H new ATOM 0 HA TYR A 84 5.567 -17.306 -20.635 1.00 0.00 H new ATOM 0 HB2 TYR A 84 7.910 -19.267 -20.866 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.645 -18.151 -19.540 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.325 -21.174 -21.251 1.00 0.00 H new ATOM 0 HD2 TYR A 84 5.955 -18.585 -17.841 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.854 -22.838 -20.146 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.495 -20.256 -16.732 1.00 0.00 H new ATOM 0 HH TYR A 84 3.492 -22.250 -16.873 1.00 0.00 H new ATOM 853 N LEU A 85 7.511 -15.747 -21.165 1.00 0.00 N ATOM 854 CA LEU A 85 8.376 -14.679 -21.669 1.00 0.00 C ATOM 855 C LEU A 85 9.200 -14.112 -20.515 1.00 0.00 C ATOM 856 O LEU A 85 8.777 -13.165 -19.855 1.00 0.00 O ATOM 857 CB LEU A 85 7.528 -13.556 -22.281 1.00 0.00 C ATOM 858 CG LEU A 85 8.438 -12.426 -22.777 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.090 -12.830 -24.100 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.606 -11.158 -22.992 1.00 0.00 C ATOM 0 H LEU A 85 7.161 -15.589 -20.220 1.00 0.00 H new ATOM 0 HA LEU A 85 9.036 -15.087 -22.435 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.934 -13.946 -23.108 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.828 -13.172 -21.539 1.00 0.00 H new ATOM 0 HG LEU A 85 9.212 -12.237 -22.034 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.736 -12.024 -24.449 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.683 -13.732 -23.953 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.316 -13.022 -24.843 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.252 -10.354 -23.345 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.831 -11.353 -23.734 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.142 -10.864 -22.051 1.00 0.00 H new ATOM 872 N PRO A 86 10.348 -14.673 -20.249 1.00 0.00 N ATOM 873 CA PRO A 86 11.221 -14.209 -19.131 1.00 0.00 C ATOM 874 C PRO A 86 11.381 -12.687 -19.095 1.00 0.00 C ATOM 875 O PRO A 86 11.324 -12.081 -18.025 1.00 0.00 O ATOM 876 CB PRO A 86 12.562 -14.889 -19.412 1.00 0.00 C ATOM 877 CG PRO A 86 12.241 -16.101 -20.227 1.00 0.00 C ATOM 878 CD PRO A 86 10.935 -15.812 -20.972 1.00 0.00 C ATOM 0 HA PRO A 86 10.798 -14.464 -18.160 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.234 -14.221 -19.952 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.063 -15.163 -18.484 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.046 -16.316 -20.930 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.134 -16.977 -19.588 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.120 -15.567 -22.018 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.271 -16.676 -20.960 1.00 0.00 H new ATOM 886 N ASP A 87 11.622 -12.076 -20.252 1.00 0.00 N ATOM 887 CA ASP A 87 11.834 -10.630 -20.324 1.00 0.00 C ATOM 888 C ASP A 87 10.655 -9.838 -19.757 1.00 0.00 C ATOM 889 O ASP A 87 10.785 -8.652 -19.461 1.00 0.00 O ATOM 890 CB ASP A 87 12.073 -10.228 -21.778 1.00 0.00 C ATOM 891 CG ASP A 87 13.426 -10.760 -22.232 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.162 -11.243 -21.386 1.00 0.00 O ATOM 893 OD2 ASP A 87 13.708 -10.681 -23.415 1.00 0.00 O ATOM 0 H ASP A 87 11.676 -12.556 -21.150 1.00 0.00 H new ATOM 0 HA ASP A 87 12.705 -10.392 -19.714 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.281 -10.627 -22.412 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.044 -9.143 -21.877 1.00 0.00 H new ATOM 898 N ALA A 88 9.514 -10.484 -19.607 1.00 0.00 N ATOM 899 CA ALA A 88 8.344 -9.805 -19.067 1.00 0.00 C ATOM 900 C ALA A 88 8.642 -9.224 -17.684 1.00 0.00 C ATOM 901 O ALA A 88 8.165 -8.139 -17.332 1.00 0.00 O ATOM 902 CB ALA A 88 7.191 -10.795 -18.946 1.00 0.00 C ATOM 0 H ALA A 88 9.369 -11.465 -19.847 1.00 0.00 H new ATOM 0 HA ALA A 88 8.077 -8.993 -19.743 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.316 -10.286 -18.542 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.954 -11.199 -19.930 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.478 -11.608 -18.279 1.00 0.00 H new ATOM 908 N PHE A 89 9.428 -9.962 -16.905 1.00 0.00 N ATOM 909 CA PHE A 89 9.791 -9.549 -15.557 1.00 0.00 C ATOM 910 C PHE A 89 10.643 -8.291 -15.527 1.00 0.00 C ATOM 911 O PHE A 89 10.409 -7.391 -14.724 1.00 0.00 O ATOM 912 CB PHE A 89 10.557 -10.676 -14.872 1.00 0.00 C ATOM 913 CG PHE A 89 11.216 -10.128 -13.636 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.474 -9.956 -12.466 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.569 -9.776 -13.668 1.00 0.00 C ATOM 916 CE1 PHE A 89 11.088 -9.431 -11.323 1.00 0.00 C ATOM 917 CE2 PHE A 89 13.184 -9.253 -12.527 1.00 0.00 C ATOM 918 CZ PHE A 89 12.442 -9.080 -11.352 1.00 0.00 C ATOM 0 H PHE A 89 9.828 -10.856 -17.190 1.00 0.00 H new ATOM 0 HA PHE A 89 8.861 -9.326 -15.034 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.880 -11.489 -14.610 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.306 -11.090 -15.548 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.429 -10.227 -12.443 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.139 -9.908 -14.575 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.516 -9.297 -10.417 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.229 -8.983 -12.551 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.915 -8.676 -10.469 1.00 0.00 H new ATOM 928 N LYS A 90 11.644 -8.243 -16.387 1.00 0.00 N ATOM 929 CA LYS A 90 12.533 -7.094 -16.417 1.00 0.00 C ATOM 930 C LYS A 90 11.774 -5.840 -16.842 1.00 0.00 C ATOM 931 O LYS A 90 12.024 -4.755 -16.320 1.00 0.00 O ATOM 932 CB LYS A 90 13.698 -7.355 -17.367 1.00 0.00 C ATOM 933 CG LYS A 90 13.336 -6.867 -18.768 1.00 0.00 C ATOM 934 CD LYS A 90 14.383 -7.367 -19.763 1.00 0.00 C ATOM 935 CE LYS A 90 14.160 -6.689 -21.114 1.00 0.00 C ATOM 936 NZ LYS A 90 12.733 -6.273 -21.227 1.00 0.00 N ATOM 0 H LYS A 90 11.861 -8.974 -17.065 1.00 0.00 H new ATOM 0 HA LYS A 90 12.927 -6.934 -15.413 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.592 -6.842 -17.012 1.00 0.00 H new ATOM 0 HB3 LYS A 90 13.930 -8.420 -17.390 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.348 -7.231 -19.048 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.291 -5.778 -18.786 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.385 -7.148 -19.394 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.312 -8.449 -19.870 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.812 -5.821 -21.210 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.417 -7.372 -21.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.532 -5.983 -22.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.117 -7.070 -20.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.552 -5.474 -20.586 1.00 0.00 H new ATOM 950 N ILE A 91 10.845 -5.993 -17.786 1.00 0.00 N ATOM 951 CA ILE A 91 10.058 -4.860 -18.262 1.00 0.00 C ATOM 952 C ILE A 91 9.286 -4.214 -17.119 1.00 0.00 C ATOM 953 O ILE A 91 9.363 -3.003 -16.911 1.00 0.00 O ATOM 954 CB ILE A 91 9.070 -5.336 -19.336 1.00 0.00 C ATOM 955 CG1 ILE A 91 9.845 -5.848 -20.552 1.00 0.00 C ATOM 956 CG2 ILE A 91 8.159 -4.182 -19.772 1.00 0.00 C ATOM 957 CD1 ILE A 91 8.869 -6.458 -21.560 1.00 0.00 C ATOM 0 H ILE A 91 10.622 -6.883 -18.232 1.00 0.00 H new ATOM 0 HA ILE A 91 10.740 -4.121 -18.683 1.00 0.00 H new ATOM 0 HB ILE A 91 8.459 -6.136 -18.919 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.398 -5.031 -21.014 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.577 -6.593 -20.242 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.464 -4.535 -20.534 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.599 -3.816 -18.912 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.766 -3.374 -20.181 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.421 -6.823 -22.426 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.336 -7.287 -21.094 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.154 -5.700 -21.879 1.00 0.00 H new ATOM 969 N MET A 92 8.533 -5.024 -16.386 1.00 0.00 N ATOM 970 CA MET A 92 7.744 -4.502 -15.281 1.00 0.00 C ATOM 971 C MET A 92 8.658 -4.007 -14.172 1.00 0.00 C ATOM 972 O MET A 92 8.348 -3.039 -13.480 1.00 0.00 O ATOM 973 CB MET A 92 6.826 -5.594 -14.744 1.00 0.00 C ATOM 974 CG MET A 92 5.910 -6.081 -15.869 1.00 0.00 C ATOM 975 SD MET A 92 4.890 -4.709 -16.469 1.00 0.00 S ATOM 976 CE MET A 92 3.937 -4.423 -14.953 1.00 0.00 C ATOM 0 H MET A 92 8.453 -6.030 -16.534 1.00 0.00 H new ATOM 0 HA MET A 92 7.141 -3.668 -15.640 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.417 -6.423 -14.355 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.231 -5.210 -13.915 1.00 0.00 H new ATOM 0 HG2 MET A 92 6.507 -6.487 -16.686 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.273 -6.889 -15.508 1.00 0.00 H new ATOM 0 HE1 MET A 92 2.917 -4.782 -15.091 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.401 -4.958 -14.125 1.00 0.00 H new ATOM 0 HE3 MET A 92 3.919 -3.356 -14.730 1.00 0.00 H new ATOM 986 N SER A 93 9.790 -4.677 -14.015 1.00 0.00 N ATOM 987 CA SER A 93 10.746 -4.301 -12.995 1.00 0.00 C ATOM 988 C SER A 93 11.235 -2.867 -13.210 1.00 0.00 C ATOM 989 O SER A 93 11.221 -2.055 -12.293 1.00 0.00 O ATOM 990 CB SER A 93 11.930 -5.266 -13.044 1.00 0.00 C ATOM 991 OG SER A 93 11.455 -6.599 -12.904 1.00 0.00 O ATOM 0 H SER A 93 10.065 -5.480 -14.581 1.00 0.00 H new ATOM 0 HA SER A 93 10.263 -4.352 -12.019 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.465 -5.156 -13.987 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.637 -5.034 -12.247 1.00 0.00 H new ATOM 0 HG SER A 93 11.200 -6.949 -13.783 1.00 0.00 H new ATOM 997 N GLN A 94 11.650 -2.560 -14.430 1.00 0.00 N ATOM 998 CA GLN A 94 12.133 -1.218 -14.747 1.00 0.00 C ATOM 999 C GLN A 94 11.019 -0.173 -14.669 1.00 0.00 C ATOM 1000 O GLN A 94 11.237 0.958 -14.233 1.00 0.00 O ATOM 1001 CB GLN A 94 12.720 -1.205 -16.154 1.00 0.00 C ATOM 1002 CG GLN A 94 13.980 -2.067 -16.199 1.00 0.00 C ATOM 1003 CD GLN A 94 14.526 -2.104 -17.619 1.00 0.00 C ATOM 1004 OE1 GLN A 94 14.044 -1.380 -18.491 1.00 0.00 O ATOM 1005 NE2 GLN A 94 15.503 -2.916 -17.912 1.00 0.00 N ATOM 0 H GLN A 94 11.664 -3.214 -15.213 1.00 0.00 H new ATOM 0 HA GLN A 94 12.893 -0.962 -14.009 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.986 -1.581 -16.867 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.957 -0.183 -16.449 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.732 -1.664 -15.520 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.753 -3.078 -15.860 1.00 0.00 H new ATOM 0 HE21 GLN A 94 15.902 -3.515 -17.190 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.868 -2.952 -18.864 1.00 0.00 H new ATOM 1014 N ARG A 95 9.840 -0.556 -15.128 1.00 0.00 N ATOM 1015 CA ARG A 95 8.700 0.358 -15.150 1.00 0.00 C ATOM 1016 C ARG A 95 8.039 0.563 -13.787 1.00 0.00 C ATOM 1017 O ARG A 95 7.473 1.626 -13.536 1.00 0.00 O ATOM 1018 CB ARG A 95 7.659 -0.134 -16.156 1.00 0.00 C ATOM 1019 CG ARG A 95 8.172 0.134 -17.574 1.00 0.00 C ATOM 1020 CD ARG A 95 7.149 -0.351 -18.601 1.00 0.00 C ATOM 1021 NE ARG A 95 7.621 -0.056 -19.950 1.00 0.00 N ATOM 1022 CZ ARG A 95 8.693 -0.658 -20.449 1.00 0.00 C ATOM 1023 NH1 ARG A 95 9.359 -1.512 -19.719 1.00 0.00 N ATOM 1024 NH2 ARG A 95 9.091 -0.384 -21.664 1.00 0.00 N ATOM 0 H ARG A 95 9.643 -1.489 -15.490 1.00 0.00 H new ATOM 0 HA ARG A 95 9.098 1.328 -15.447 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.475 -1.199 -16.017 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.710 0.377 -15.996 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.356 1.200 -17.707 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.123 -0.375 -17.728 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.989 -1.423 -18.489 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.189 0.135 -18.428 1.00 0.00 H new ATOM 0 HE ARG A 95 7.118 0.625 -20.519 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.055 -1.715 -18.767 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.183 -1.976 -20.101 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.577 0.293 -22.228 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.915 -0.847 -22.047 1.00 0.00 H new ATOM 1038 N CYS A 96 8.037 -0.455 -12.932 1.00 0.00 N ATOM 1039 CA CYS A 96 7.350 -0.321 -11.649 1.00 0.00 C ATOM 1040 C CYS A 96 8.268 -0.338 -10.420 1.00 0.00 C ATOM 1041 O CYS A 96 7.833 0.021 -9.325 1.00 0.00 O ATOM 1042 CB CYS A 96 6.314 -1.437 -11.526 1.00 0.00 C ATOM 1043 SG CYS A 96 5.478 -1.649 -13.120 1.00 0.00 S ATOM 0 H CYS A 96 8.488 -1.356 -13.094 1.00 0.00 H new ATOM 0 HA CYS A 96 6.888 0.666 -11.653 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.797 -2.368 -11.228 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.588 -1.192 -10.750 1.00 0.00 H new ATOM 1048 N ASN A 97 9.514 -0.776 -10.564 1.00 0.00 N ATOM 1049 CA ASN A 97 10.405 -0.834 -9.405 1.00 0.00 C ATOM 1050 C ASN A 97 10.638 0.550 -8.789 1.00 0.00 C ATOM 1051 O ASN A 97 10.921 1.516 -9.497 1.00 0.00 O ATOM 1052 CB ASN A 97 11.747 -1.456 -9.791 1.00 0.00 C ATOM 1053 CG ASN A 97 11.565 -2.943 -10.072 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.451 -3.458 -9.985 1.00 0.00 O ATOM 1055 ND2 ASN A 97 12.598 -3.670 -10.398 1.00 0.00 N ATOM 0 H ASN A 97 9.924 -1.089 -11.444 1.00 0.00 H new ATOM 0 HA ASN A 97 9.915 -1.457 -8.657 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.150 -0.957 -10.672 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.469 -1.314 -8.987 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.483 -4.667 -10.581 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.521 -3.242 -10.470 1.00 0.00 H new ATOM 1062 N ASN A 98 10.536 0.617 -7.455 1.00 0.00 N ATOM 1063 CA ASN A 98 10.752 1.858 -6.701 1.00 0.00 C ATOM 1064 C ASN A 98 9.639 2.892 -6.909 1.00 0.00 C ATOM 1065 O ASN A 98 9.803 4.059 -6.546 1.00 0.00 O ATOM 1066 CB ASN A 98 12.125 2.468 -7.023 1.00 0.00 C ATOM 1067 CG ASN A 98 13.232 1.601 -6.411 1.00 0.00 C ATOM 1068 OD1 ASN A 98 12.952 0.565 -5.812 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.489 2.034 -6.552 1.00 0.00 N ATOM 0 H ASN A 98 10.302 -0.185 -6.870 1.00 0.00 H new ATOM 0 HA ASN A 98 10.727 1.581 -5.647 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.259 2.537 -8.103 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.184 3.482 -6.629 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.676 2.900 -7.057 1.00 0.00 H new ATOM 1075 N ARG A 99 8.499 2.471 -7.466 1.00 0.00 N ATOM 1076 CA ARG A 99 7.382 3.399 -7.670 1.00 0.00 C ATOM 1077 C ARG A 99 6.211 3.056 -6.757 1.00 0.00 C ATOM 1078 O ARG A 99 5.928 1.885 -6.506 1.00 0.00 O ATOM 1079 CB ARG A 99 6.904 3.369 -9.125 1.00 0.00 C ATOM 1080 CG ARG A 99 7.918 4.086 -10.011 1.00 0.00 C ATOM 1081 CD ARG A 99 7.451 4.044 -11.470 1.00 0.00 C ATOM 1082 NE ARG A 99 6.290 4.914 -11.671 1.00 0.00 N ATOM 1083 CZ ARG A 99 6.084 5.522 -12.836 1.00 0.00 C ATOM 1084 NH1 ARG A 99 6.947 5.388 -13.806 1.00 0.00 N ATOM 1085 NH2 ARG A 99 5.017 6.259 -13.010 1.00 0.00 N ATOM 0 H ARG A 99 8.326 1.515 -7.778 1.00 0.00 H new ATOM 0 HA ARG A 99 7.745 4.398 -7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.781 2.338 -9.457 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.929 3.849 -9.208 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.033 5.120 -9.686 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.895 3.612 -9.918 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.263 4.357 -12.126 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.196 3.021 -11.745 1.00 0.00 H new ATOM 0 HE ARG A 99 5.630 5.056 -10.906 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.781 4.816 -13.671 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.787 5.855 -14.699 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.343 6.367 -12.252 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.859 6.725 -13.903 1.00 0.00 H new ATOM 1099 N THR A 100 5.521 4.087 -6.278 1.00 0.00 N ATOM 1100 CA THR A 100 4.368 3.884 -5.408 1.00 0.00 C ATOM 1101 C THR A 100 3.250 3.259 -6.227 1.00 0.00 C ATOM 1102 O THR A 100 2.416 2.515 -5.714 1.00 0.00 O ATOM 1103 CB THR A 100 3.913 5.224 -4.825 1.00 0.00 C ATOM 1104 OG1 THR A 100 5.023 5.870 -4.217 1.00 0.00 O ATOM 1105 CG2 THR A 100 2.821 4.992 -3.777 1.00 0.00 C ATOM 0 H THR A 100 5.738 5.064 -6.476 1.00 0.00 H new ATOM 0 HA THR A 100 4.633 3.223 -4.582 1.00 0.00 H new ATOM 0 HB THR A 100 3.514 5.849 -5.624 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.737 6.730 -3.844 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.502 5.950 -3.366 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.970 4.495 -4.242 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.213 4.366 -2.975 1.00 0.00 H new ATOM 1113 N GLN A 101 3.273 3.561 -7.517 1.00 0.00 N ATOM 1114 CA GLN A 101 2.294 3.023 -8.445 1.00 0.00 C ATOM 1115 C GLN A 101 2.928 2.817 -9.810 1.00 0.00 C ATOM 1116 O GLN A 101 3.958 3.412 -10.126 1.00 0.00 O ATOM 1117 CB GLN A 101 1.080 3.946 -8.556 1.00 0.00 C ATOM 1118 CG GLN A 101 1.494 5.306 -9.114 1.00 0.00 C ATOM 1119 CD GLN A 101 0.843 5.545 -10.476 1.00 0.00 C ATOM 1120 OE1 GLN A 101 -0.303 4.984 -10.758 1.00 0.00 O flip ATOM 1121 NE2 GLN A 101 1.393 6.274 -11.304 1.00 0.00 N flip ATOM 0 H GLN A 101 3.963 4.179 -7.944 1.00 0.00 H new ATOM 0 HA GLN A 101 1.953 2.061 -8.064 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.329 3.493 -9.204 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.621 4.073 -7.576 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.201 6.095 -8.421 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.579 5.352 -9.210 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.288 6.712 -11.084 1.00 0.00 H new ATOM 0 HE22 GLN A 101 0.954 6.439 -12.209 1.00 0.00 H new ATOM 1130 N CYS A 102 2.322 1.948 -10.604 1.00 0.00 N ATOM 1131 CA CYS A 102 2.858 1.650 -11.923 1.00 0.00 C ATOM 1132 C CYS A 102 1.765 1.207 -12.880 1.00 0.00 C ATOM 1133 O CYS A 102 0.871 0.441 -12.518 1.00 0.00 O ATOM 1134 CB CYS A 102 3.908 0.550 -11.797 1.00 0.00 C ATOM 1135 SG CYS A 102 4.557 0.123 -13.428 1.00 0.00 S ATOM 0 H CYS A 102 1.470 1.442 -10.363 1.00 0.00 H new ATOM 0 HA CYS A 102 3.307 2.557 -12.327 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.719 0.883 -11.150 1.00 0.00 H new ATOM 0 HB3 CYS A 102 3.469 -0.331 -11.330 1.00 0.00 H new ATOM 1140 N VAL A 103 1.857 1.692 -14.109 1.00 0.00 N ATOM 1141 CA VAL A 103 0.887 1.344 -15.133 1.00 0.00 C ATOM 1142 C VAL A 103 1.602 0.869 -16.388 1.00 0.00 C ATOM 1143 O VAL A 103 2.474 1.560 -16.915 1.00 0.00 O ATOM 1144 CB VAL A 103 0.030 2.561 -15.467 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.106 2.142 -16.402 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -0.550 3.141 -14.175 1.00 0.00 C ATOM 0 H VAL A 103 2.593 2.327 -14.420 1.00 0.00 H new ATOM 0 HA VAL A 103 0.250 0.543 -14.758 1.00 0.00 H new ATOM 0 HB VAL A 103 0.641 3.317 -15.960 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.719 3.011 -16.641 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.688 1.729 -17.320 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.721 1.388 -15.912 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.163 4.011 -14.410 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.163 2.387 -13.681 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.263 3.438 -13.512 1.00 0.00 H new ATOM 1156 N VAL A 104 1.232 -0.308 -16.866 1.00 0.00 N ATOM 1157 CA VAL A 104 1.859 -0.843 -18.063 1.00 0.00 C ATOM 1158 C VAL A 104 0.850 -1.597 -18.918 1.00 0.00 C ATOM 1159 O VAL A 104 -0.013 -2.303 -18.395 1.00 0.00 O ATOM 1160 CB VAL A 104 3.005 -1.774 -17.682 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.694 -2.260 -18.954 1.00 0.00 C ATOM 1162 CG2 VAL A 104 4.008 -1.009 -16.812 1.00 0.00 C ATOM 0 H VAL A 104 0.514 -0.902 -16.452 1.00 0.00 H new ATOM 0 HA VAL A 104 2.248 -0.006 -18.644 1.00 0.00 H new ATOM 0 HB VAL A 104 2.622 -2.629 -17.125 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.515 -2.927 -18.691 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.976 -2.796 -19.575 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.084 -1.405 -19.506 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.830 -1.670 -16.537 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.399 -0.158 -17.370 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.510 -0.654 -15.910 1.00 0.00 H new ATOM 1172 N VAL A 105 0.969 -1.454 -20.233 1.00 0.00 N ATOM 1173 CA VAL A 105 0.064 -2.145 -21.133 1.00 0.00 C ATOM 1174 C VAL A 105 0.454 -3.609 -21.237 1.00 0.00 C ATOM 1175 O VAL A 105 1.539 -3.939 -21.713 1.00 0.00 O ATOM 1176 CB VAL A 105 0.090 -1.494 -22.516 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -0.865 -2.238 -23.450 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.355 -0.035 -22.395 1.00 0.00 C ATOM 0 H VAL A 105 1.673 -0.875 -20.691 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.948 -2.075 -20.735 1.00 0.00 H new ATOM 0 HB VAL A 105 1.101 -1.539 -22.920 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.846 -1.773 -24.436 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.554 -3.279 -23.534 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.877 -2.193 -23.047 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.338 0.433 -23.379 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.367 0.005 -21.992 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.322 0.498 -21.728 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.435 -4.483 -20.775 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.170 -5.915 -20.809 1.00 0.00 C ATOM 1190 C ALA A 106 -0.210 -6.445 -22.233 1.00 0.00 C ATOM 1191 O ALA A 106 -0.654 -7.570 -22.469 1.00 0.00 O ATOM 1192 CB ALA A 106 -1.202 -6.664 -19.962 1.00 0.00 C ATOM 0 H ALA A 106 -1.338 -4.226 -20.376 1.00 0.00 H new ATOM 0 HA ALA A 106 0.828 -6.079 -20.402 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.993 -7.733 -19.996 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.148 -6.316 -18.931 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.201 -6.477 -20.356 1.00 0.00 H new ATOM 1198 N GLY A 107 0.249 -5.643 -23.186 1.00 0.00 N ATOM 1199 CA GLY A 107 0.247 -6.075 -24.572 1.00 0.00 C ATOM 1200 C GLY A 107 0.873 -5.027 -25.485 1.00 0.00 C ATOM 1201 O GLY A 107 1.990 -4.569 -25.248 1.00 0.00 O ATOM 0 H GLY A 107 0.621 -4.707 -23.026 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.796 -7.012 -24.663 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.776 -6.272 -24.891 1.00 0.00 H new ATOM 1205 N SER A 108 0.145 -4.660 -26.533 1.00 0.00 N ATOM 1206 CA SER A 108 0.638 -3.679 -27.491 1.00 0.00 C ATOM 1207 C SER A 108 2.156 -3.766 -27.632 1.00 0.00 C ATOM 1208 O SER A 108 2.765 -4.786 -27.312 1.00 0.00 O ATOM 1209 CB SER A 108 0.243 -2.268 -27.058 1.00 0.00 C ATOM 1210 OG SER A 108 0.135 -1.439 -28.207 1.00 0.00 O ATOM 0 H SER A 108 -0.785 -5.025 -26.740 1.00 0.00 H new ATOM 0 HA SER A 108 0.185 -3.899 -28.458 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.706 -2.292 -26.522 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.987 -1.864 -26.372 1.00 0.00 H new ATOM 0 HG SER A 108 -0.120 -0.533 -27.934 1.00 0.00 H new ATOM 1216 N ASP A 109 2.755 -2.692 -28.134 1.00 0.00 N ATOM 1217 CA ASP A 109 4.199 -2.651 -28.339 1.00 0.00 C ATOM 1218 C ASP A 109 4.947 -2.690 -27.011 1.00 0.00 C ATOM 1219 O ASP A 109 6.175 -2.616 -26.987 1.00 0.00 O ATOM 1220 CB ASP A 109 4.580 -1.380 -29.097 1.00 0.00 C ATOM 1221 CG ASP A 109 4.074 -1.458 -30.532 1.00 0.00 C ATOM 1222 OD1 ASP A 109 3.649 -2.529 -30.933 1.00 0.00 O ATOM 1223 OD2 ASP A 109 4.123 -0.446 -31.211 1.00 0.00 O ATOM 0 H ASP A 109 2.265 -1.840 -28.406 1.00 0.00 H new ATOM 0 HA ASP A 109 4.481 -3.529 -28.921 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.154 -0.509 -28.599 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.663 -1.254 -29.091 1.00 0.00 H new ATOM 1228 N ALA A 110 4.209 -2.793 -25.911 1.00 0.00 N ATOM 1229 CA ALA A 110 4.834 -2.823 -24.595 1.00 0.00 C ATOM 1230 C ALA A 110 5.298 -4.237 -24.250 1.00 0.00 C ATOM 1231 O ALA A 110 6.066 -4.432 -23.307 1.00 0.00 O ATOM 1232 CB ALA A 110 3.843 -2.330 -23.538 1.00 0.00 C ATOM 0 H ALA A 110 3.191 -2.856 -25.904 1.00 0.00 H new ATOM 0 HA ALA A 110 5.704 -2.167 -24.610 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.316 -2.355 -22.556 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.542 -1.308 -23.770 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.965 -2.975 -23.534 1.00 0.00 H new ATOM 1238 N PHE A 111 4.840 -5.218 -25.027 1.00 0.00 N ATOM 1239 CA PHE A 111 5.233 -6.608 -24.801 1.00 0.00 C ATOM 1240 C PHE A 111 5.369 -7.359 -26.122 1.00 0.00 C ATOM 1241 O PHE A 111 4.479 -7.294 -26.968 1.00 0.00 O ATOM 1242 CB PHE A 111 4.182 -7.332 -23.969 1.00 0.00 C ATOM 1243 CG PHE A 111 4.338 -6.952 -22.525 1.00 0.00 C ATOM 1244 CD1 PHE A 111 5.394 -7.476 -21.775 1.00 0.00 C ATOM 1245 CD2 PHE A 111 3.423 -6.079 -21.939 1.00 0.00 C ATOM 1246 CE1 PHE A 111 5.537 -7.123 -20.431 1.00 0.00 C ATOM 1247 CE2 PHE A 111 3.561 -5.724 -20.593 1.00 0.00 C ATOM 1248 CZ PHE A 111 4.620 -6.247 -19.839 1.00 0.00 C ATOM 0 H PHE A 111 4.203 -5.078 -25.811 1.00 0.00 H new ATOM 0 HA PHE A 111 6.190 -6.590 -24.279 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.183 -7.071 -24.319 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.290 -8.410 -24.086 1.00 0.00 H new ATOM 0 HD1 PHE A 111 6.099 -8.153 -22.234 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.609 -5.677 -22.523 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.354 -7.525 -19.850 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.853 -5.048 -20.136 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.729 -5.974 -18.800 1.00 0.00 H new ATOM 1258 N PRO A 112 6.433 -8.095 -26.313 1.00 0.00 N ATOM 1259 CA PRO A 112 6.618 -8.890 -27.557 1.00 0.00 C ATOM 1260 C PRO A 112 5.445 -9.843 -27.792 1.00 0.00 C ATOM 1261 O PRO A 112 4.299 -9.527 -27.472 1.00 0.00 O ATOM 1262 CB PRO A 112 7.911 -9.681 -27.334 1.00 0.00 C ATOM 1263 CG PRO A 112 8.597 -9.063 -26.159 1.00 0.00 C ATOM 1264 CD PRO A 112 7.566 -8.245 -25.383 1.00 0.00 C ATOM 0 HA PRO A 112 6.668 -8.248 -28.436 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.694 -10.732 -27.146 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.547 -9.640 -28.218 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.029 -9.834 -25.521 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.418 -8.426 -26.489 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.263 -8.754 -24.468 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.969 -7.276 -25.089 1.00 0.00 H new ATOM 1272 N ASP A 113 5.749 -11.008 -28.352 1.00 0.00 N ATOM 1273 CA ASP A 113 4.730 -12.017 -28.638 1.00 0.00 C ATOM 1274 C ASP A 113 5.314 -13.420 -28.440 1.00 0.00 C ATOM 1275 O ASP A 113 5.888 -13.998 -29.363 1.00 0.00 O ATOM 1276 CB ASP A 113 4.257 -11.852 -30.084 1.00 0.00 C ATOM 1277 CG ASP A 113 2.987 -12.659 -30.325 1.00 0.00 C ATOM 1278 OD1 ASP A 113 2.833 -13.691 -29.692 1.00 0.00 O ATOM 1279 OD2 ASP A 113 2.185 -12.233 -31.141 1.00 0.00 O ATOM 0 H ASP A 113 6.695 -11.280 -28.619 1.00 0.00 H new ATOM 0 HA ASP A 113 3.888 -11.888 -27.958 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.071 -10.799 -30.294 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.039 -12.180 -30.769 1.00 0.00 H new ATOM 1284 N PRO A 114 5.200 -13.955 -27.247 1.00 0.00 N ATOM 1285 CA PRO A 114 5.748 -15.303 -26.895 1.00 0.00 C ATOM 1286 C PRO A 114 4.859 -16.475 -27.323 1.00 0.00 C ATOM 1287 O PRO A 114 5.233 -17.636 -27.158 1.00 0.00 O ATOM 1288 CB PRO A 114 5.851 -15.230 -25.375 1.00 0.00 C ATOM 1289 CG PRO A 114 4.714 -14.355 -24.963 1.00 0.00 C ATOM 1290 CD PRO A 114 4.530 -13.334 -26.092 1.00 0.00 C ATOM 0 HA PRO A 114 6.688 -15.499 -27.411 1.00 0.00 H new ATOM 0 HB2 PRO A 114 5.773 -16.219 -24.924 1.00 0.00 H new ATOM 0 HB3 PRO A 114 6.807 -14.811 -25.062 1.00 0.00 H new ATOM 0 HG2 PRO A 114 3.806 -14.940 -24.815 1.00 0.00 H new ATOM 0 HG3 PRO A 114 4.929 -13.856 -24.018 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.475 -13.149 -26.295 1.00 0.00 H new ATOM 0 HD3 PRO A 114 4.979 -12.374 -25.839 1.00 0.00 H new ATOM 1298 N CYS A 115 3.691 -16.172 -27.868 1.00 0.00 N ATOM 1299 CA CYS A 115 2.775 -17.224 -28.311 1.00 0.00 C ATOM 1300 C CYS A 115 1.658 -16.637 -29.165 1.00 0.00 C ATOM 1301 O CYS A 115 0.482 -16.638 -28.786 1.00 0.00 O ATOM 1302 CB CYS A 115 2.190 -17.959 -27.102 1.00 0.00 C ATOM 1303 SG CYS A 115 1.840 -16.772 -25.781 1.00 0.00 S ATOM 0 H CYS A 115 3.353 -15.221 -28.015 1.00 0.00 H new ATOM 0 HA CYS A 115 3.334 -17.936 -28.918 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.276 -18.480 -27.388 1.00 0.00 H new ATOM 0 HB3 CYS A 115 2.891 -18.715 -26.749 1.00 0.00 H new ATOM 1308 N PRO A 116 2.017 -16.136 -30.312 1.00 0.00 N ATOM 1309 CA PRO A 116 1.049 -15.529 -31.261 1.00 0.00 C ATOM 1310 C PRO A 116 -0.109 -16.472 -31.560 1.00 0.00 C ATOM 1311 O PRO A 116 0.060 -17.691 -31.579 1.00 0.00 O ATOM 1312 CB PRO A 116 1.866 -15.254 -32.527 1.00 0.00 C ATOM 1313 CG PRO A 116 3.309 -15.351 -32.144 1.00 0.00 C ATOM 1314 CD PRO A 116 3.396 -16.106 -30.818 1.00 0.00 C ATOM 0 HA PRO A 116 0.597 -14.626 -30.852 1.00 0.00 H new ATOM 0 HB2 PRO A 116 1.624 -15.976 -33.307 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.638 -14.266 -32.926 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.874 -15.872 -32.917 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.745 -14.357 -32.046 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.787 -17.113 -30.961 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.063 -15.602 -30.119 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.283 -15.905 -31.800 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.454 -16.710 -32.106 1.00 0.00 C ATOM 1324 C GLY A 117 -3.129 -17.200 -30.832 1.00 0.00 C ATOM 1325 O GLY A 117 -4.215 -17.779 -30.883 1.00 0.00 O ATOM 0 H GLY A 117 -1.448 -14.899 -31.789 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -3.160 -16.122 -32.693 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -2.163 -17.563 -32.719 1.00 0.00 H new ATOM 1329 N THR A 118 -2.498 -16.954 -29.686 1.00 0.00 N ATOM 1330 CA THR A 118 -3.064 -17.361 -28.410 1.00 0.00 C ATOM 1331 C THR A 118 -3.302 -16.122 -27.554 1.00 0.00 C ATOM 1332 O THR A 118 -2.556 -15.148 -27.654 1.00 0.00 O ATOM 1333 CB THR A 118 -2.099 -18.310 -27.695 1.00 0.00 C ATOM 1334 OG1 THR A 118 -1.849 -19.439 -28.521 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.707 -18.767 -26.371 1.00 0.00 C ATOM 0 H THR A 118 -1.599 -16.477 -29.619 1.00 0.00 H new ATOM 0 HA THR A 118 -4.009 -17.878 -28.575 1.00 0.00 H new ATOM 0 HB THR A 118 -1.162 -17.789 -27.496 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.230 -20.047 -28.065 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.016 -19.442 -25.867 1.00 0.00 H new ATOM 0 HG22 THR A 118 -2.894 -17.900 -25.738 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.646 -19.286 -26.562 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.327 -16.148 -26.715 1.00 0.00 N ATOM 1344 CA TYR A 119 -4.608 -15.000 -25.865 1.00 0.00 C ATOM 1345 C TYR A 119 -3.778 -15.093 -24.596 1.00 0.00 C ATOM 1346 O TYR A 119 -3.828 -16.090 -23.874 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.088 -14.944 -25.520 1.00 0.00 C ATOM 1348 CG TYR A 119 -6.394 -13.622 -24.865 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.302 -13.493 -23.476 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -6.777 -12.529 -25.647 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -6.596 -12.269 -22.868 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -7.075 -11.306 -25.042 1.00 0.00 C ATOM 1353 CZ TYR A 119 -6.986 -11.175 -23.652 1.00 0.00 C ATOM 1354 OH TYR A 119 -7.287 -9.969 -23.054 1.00 0.00 O ATOM 0 H TYR A 119 -4.967 -16.935 -26.605 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.346 -14.088 -26.401 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.689 -15.064 -26.422 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.349 -15.764 -24.851 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.004 -14.338 -22.873 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -6.843 -12.630 -26.720 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -6.523 -12.167 -21.795 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.374 -10.462 -25.647 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.793 -9.250 -23.501 1.00 0.00 H new ATOM 1364 N LYS A 120 -2.955 -14.084 -24.378 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.045 -14.090 -23.246 1.00 0.00 C ATOM 1366 C LYS A 120 -2.551 -13.328 -22.023 1.00 0.00 C ATOM 1367 O LYS A 120 -3.742 -13.053 -21.854 1.00 0.00 O ATOM 1368 CB LYS A 120 -0.720 -13.499 -23.704 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.284 -14.225 -24.968 1.00 0.00 C ATOM 1370 CD LYS A 120 0.961 -13.551 -25.534 1.00 0.00 C ATOM 1371 CE LYS A 120 0.672 -13.061 -26.952 1.00 0.00 C ATOM 1372 NZ LYS A 120 0.758 -14.210 -27.895 1.00 0.00 N ATOM 0 H LYS A 120 -2.897 -13.253 -24.967 1.00 0.00 H new ATOM 0 HA LYS A 120 -1.944 -15.126 -22.921 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -0.827 -12.432 -23.897 1.00 0.00 H new ATOM 0 HB3 LYS A 120 0.034 -13.608 -22.924 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.076 -15.272 -24.746 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.087 -14.209 -25.705 1.00 0.00 H new ATOM 0 HD2 LYS A 120 1.255 -12.714 -24.901 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.796 -14.252 -25.543 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -0.319 -12.610 -26.999 1.00 0.00 H new ATOM 0 HE3 LYS A 120 1.387 -12.289 -27.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 1.601 -14.105 -28.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 0.825 -15.097 -27.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -0.092 -14.232 -28.494 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.577 -12.946 -21.222 1.00 0.00 N ATOM 1387 CA TYR A 121 -1.825 -12.163 -20.030 1.00 0.00 C ATOM 1388 C TYR A 121 -0.533 -11.747 -19.361 1.00 0.00 C ATOM 1389 O TYR A 121 0.557 -12.111 -19.799 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.752 -12.908 -19.063 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.107 -14.161 -18.506 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -1.040 -14.073 -17.603 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.617 -15.415 -18.866 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.479 -15.242 -17.068 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -2.063 -16.582 -18.325 1.00 0.00 C ATOM 1396 CZ TYR A 121 -0.992 -16.496 -17.427 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.447 -17.647 -16.892 1.00 0.00 O ATOM 0 H TYR A 121 -0.594 -13.169 -21.379 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.336 -11.249 -20.333 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.026 -12.246 -18.242 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.675 -13.174 -19.579 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.650 -13.107 -17.319 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.440 -15.482 -19.563 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.350 -15.176 -16.378 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.461 -17.547 -18.600 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.095 -17.457 -15.998 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.663 -10.980 -18.294 1.00 0.00 N ATOM 1408 CA LEU A 122 0.499 -10.514 -17.568 1.00 0.00 C ATOM 1409 C LEU A 122 0.296 -10.729 -16.079 1.00 0.00 C ATOM 1410 O LEU A 122 -0.655 -10.215 -15.492 1.00 0.00 O ATOM 1411 CB LEU A 122 0.702 -9.027 -17.866 1.00 0.00 C ATOM 1412 CG LEU A 122 1.956 -8.497 -17.169 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.202 -8.978 -17.915 1.00 0.00 C ATOM 1414 CD2 LEU A 122 1.924 -6.966 -17.183 1.00 0.00 C ATOM 0 H LEU A 122 -1.557 -10.669 -17.914 1.00 0.00 H new ATOM 0 HA LEU A 122 1.382 -11.072 -17.880 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.788 -8.876 -18.942 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.170 -8.463 -17.534 1.00 0.00 H new ATOM 0 HG LEU A 122 1.984 -8.862 -16.142 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.094 -8.599 -17.416 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.225 -10.068 -17.920 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.176 -8.611 -18.941 1.00 0.00 H new ATOM 0 HD21 LEU A 122 2.815 -6.579 -16.688 1.00 0.00 H new ATOM 0 HD22 LEU A 122 1.899 -6.612 -18.214 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.036 -6.616 -16.657 1.00 0.00 H new ATOM 1426 N GLU A 123 1.207 -11.476 -15.472 1.00 0.00 N ATOM 1427 CA GLU A 123 1.131 -11.745 -14.044 1.00 0.00 C ATOM 1428 C GLU A 123 2.341 -11.140 -13.356 1.00 0.00 C ATOM 1429 O GLU A 123 3.474 -11.366 -13.773 1.00 0.00 O ATOM 1430 CB GLU A 123 1.091 -13.253 -13.796 1.00 0.00 C ATOM 1431 CG GLU A 123 0.911 -13.514 -12.301 1.00 0.00 C ATOM 1432 CD GLU A 123 0.966 -15.010 -12.015 1.00 0.00 C ATOM 1433 OE1 GLU A 123 0.832 -15.780 -12.953 1.00 0.00 O ATOM 1434 OE2 GLU A 123 1.147 -15.364 -10.862 1.00 0.00 O ATOM 0 H GLU A 123 2.004 -11.905 -15.943 1.00 0.00 H new ATOM 0 HA GLU A 123 0.222 -11.300 -13.640 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.272 -13.704 -14.357 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.012 -13.716 -14.149 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.691 -13.000 -11.739 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.043 -13.108 -11.966 1.00 0.00 H new ATOM 1441 N VAL A 124 2.102 -10.347 -12.318 1.00 0.00 N ATOM 1442 CA VAL A 124 3.207 -9.700 -11.624 1.00 0.00 C ATOM 1443 C VAL A 124 3.043 -9.759 -10.107 1.00 0.00 C ATOM 1444 O VAL A 124 2.012 -9.357 -9.565 1.00 0.00 O ATOM 1445 CB VAL A 124 3.291 -8.236 -12.074 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.381 -7.508 -11.287 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.625 -8.169 -13.569 1.00 0.00 C ATOM 0 H VAL A 124 1.175 -10.140 -11.945 1.00 0.00 H new ATOM 0 HA VAL A 124 4.124 -10.233 -11.877 1.00 0.00 H new ATOM 0 HB VAL A 124 2.328 -7.759 -11.891 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.433 -6.469 -11.613 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.146 -7.543 -10.223 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.342 -7.992 -11.463 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.683 -7.127 -13.882 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.583 -8.656 -13.750 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.846 -8.676 -14.139 1.00 0.00 H new ATOM 1457 N GLN A 125 4.083 -10.250 -9.426 1.00 0.00 N ATOM 1458 CA GLN A 125 4.068 -10.344 -7.967 1.00 0.00 C ATOM 1459 C GLN A 125 5.129 -9.408 -7.394 1.00 0.00 C ATOM 1460 O GLN A 125 6.269 -9.392 -7.871 1.00 0.00 O ATOM 1461 CB GLN A 125 4.367 -11.783 -7.534 1.00 0.00 C ATOM 1462 CG GLN A 125 3.320 -12.725 -8.127 1.00 0.00 C ATOM 1463 CD GLN A 125 3.972 -13.681 -9.118 1.00 0.00 C ATOM 1464 OE1 GLN A 125 3.300 -14.065 -10.169 1.00 0.00 O flip ATOM 1465 NE2 GLN A 125 5.117 -14.090 -8.931 1.00 0.00 N flip ATOM 0 H GLN A 125 4.942 -10.587 -9.862 1.00 0.00 H new ATOM 0 HA GLN A 125 3.084 -10.058 -7.596 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.363 -12.074 -7.867 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.361 -11.855 -6.446 1.00 0.00 H new ATOM 0 HG2 GLN A 125 2.836 -13.290 -7.330 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.542 -12.147 -8.626 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.639 -13.787 -8.108 1.00 0.00 H new ATOM 0 HE22 GLN A 125 5.545 -14.732 -9.599 1.00 0.00 H new ATOM 1474 N TYR A 126 4.750 -8.614 -6.390 1.00 0.00 N ATOM 1475 CA TYR A 126 5.693 -7.665 -5.801 1.00 0.00 C ATOM 1476 C TYR A 126 5.335 -7.306 -4.359 1.00 0.00 C ATOM 1477 O TYR A 126 4.255 -7.641 -3.866 1.00 0.00 O ATOM 1478 CB TYR A 126 5.727 -6.400 -6.657 1.00 0.00 C ATOM 1479 CG TYR A 126 4.452 -5.613 -6.470 1.00 0.00 C ATOM 1480 CD1 TYR A 126 4.339 -4.704 -5.415 1.00 0.00 C ATOM 1481 CD2 TYR A 126 3.386 -5.792 -7.361 1.00 0.00 C ATOM 1482 CE1 TYR A 126 3.158 -3.970 -5.248 1.00 0.00 C ATOM 1483 CE2 TYR A 126 2.207 -5.056 -7.196 1.00 0.00 C ATOM 1484 CZ TYR A 126 2.092 -4.146 -6.139 1.00 0.00 C ATOM 1485 OH TYR A 126 0.930 -3.420 -5.975 1.00 0.00 O ATOM 0 H TYR A 126 3.818 -8.609 -5.976 1.00 0.00 H new ATOM 0 HA TYR A 126 6.674 -8.139 -5.778 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.585 -5.788 -6.381 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.849 -6.665 -7.707 1.00 0.00 H new ATOM 0 HD1 TYR A 126 5.162 -4.567 -4.729 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.474 -6.497 -8.174 1.00 0.00 H new ATOM 0 HE1 TYR A 126 3.069 -3.268 -4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.386 -5.190 -7.885 1.00 0.00 H new ATOM 0 HH TYR A 126 0.292 -3.661 -6.678 1.00 0.00 H new ATOM 1495 N ASP A 127 6.261 -6.612 -3.693 1.00 0.00 N ATOM 1496 CA ASP A 127 6.055 -6.196 -2.304 1.00 0.00 C ATOM 1497 C ASP A 127 6.132 -4.680 -2.165 1.00 0.00 C ATOM 1498 O ASP A 127 6.689 -3.994 -3.024 1.00 0.00 O ATOM 1499 CB ASP A 127 7.112 -6.828 -1.400 1.00 0.00 C ATOM 1500 CG ASP A 127 6.862 -8.323 -1.254 1.00 0.00 C ATOM 1501 OD1 ASP A 127 5.709 -8.718 -1.304 1.00 0.00 O ATOM 1502 OD2 ASP A 127 7.826 -9.049 -1.087 1.00 0.00 O ATOM 0 H ASP A 127 7.156 -6.328 -4.091 1.00 0.00 H new ATOM 0 HA ASP A 127 5.061 -6.530 -2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 127 8.105 -6.658 -1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 127 7.092 -6.352 -0.419 1.00 0.00 H new ATOM 1507 N CYS A 128 5.574 -4.168 -1.069 1.00 0.00 N ATOM 1508 CA CYS A 128 5.585 -2.734 -0.808 1.00 0.00 C ATOM 1509 C CYS A 128 6.472 -2.411 0.390 1.00 0.00 C ATOM 1510 O CYS A 128 6.217 -2.861 1.509 1.00 0.00 O ATOM 1511 CB CYS A 128 4.161 -2.241 -0.547 1.00 0.00 C ATOM 1512 SG CYS A 128 3.169 -2.474 -2.041 1.00 0.00 S ATOM 0 H CYS A 128 5.111 -4.725 -0.351 1.00 0.00 H new ATOM 0 HA CYS A 128 5.988 -2.227 -1.685 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.720 -2.789 0.286 1.00 0.00 H new ATOM 0 HB3 CYS A 128 4.174 -1.188 -0.265 1.00 0.00 H new ATOM 1517 N VAL A 129 7.513 -1.628 0.142 1.00 0.00 N ATOM 1518 CA VAL A 129 8.446 -1.238 1.194 1.00 0.00 C ATOM 1519 C VAL A 129 8.569 0.289 1.238 1.00 0.00 C ATOM 1520 O VAL A 129 8.254 0.956 0.256 1.00 0.00 O ATOM 1521 CB VAL A 129 9.812 -1.863 0.905 1.00 0.00 C ATOM 1522 CG1 VAL A 129 9.760 -3.368 1.183 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.161 -1.632 -0.566 1.00 0.00 C ATOM 0 H VAL A 129 7.734 -1.249 -0.779 1.00 0.00 H new ATOM 0 HA VAL A 129 8.080 -1.589 2.159 1.00 0.00 H new ATOM 0 HB VAL A 129 10.567 -1.406 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 129 10.735 -3.810 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 129 9.500 -3.536 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 129 9.009 -3.830 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.134 -2.074 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 129 9.403 -2.096 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.196 -0.561 -0.768 1.00 0.00 H new ATOM 1533 N PRO A 130 9.014 0.857 2.336 1.00 0.00 N ATOM 1534 CA PRO A 130 9.161 2.342 2.461 1.00 0.00 C ATOM 1535 C PRO A 130 10.034 2.936 1.351 1.00 0.00 C ATOM 1536 O PRO A 130 10.989 2.306 0.895 1.00 0.00 O ATOM 1537 CB PRO A 130 9.816 2.541 3.828 1.00 0.00 C ATOM 1538 CG PRO A 130 9.548 1.288 4.594 1.00 0.00 C ATOM 1539 CD PRO A 130 9.419 0.163 3.568 1.00 0.00 C ATOM 0 HA PRO A 130 8.200 2.848 2.369 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.887 2.716 3.727 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.398 3.409 4.339 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.358 1.082 5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.635 1.382 5.182 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.361 -0.369 3.436 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.677 -0.575 3.874 1.00 0.00 H new ATOM 1547 N TYR A 131 9.683 4.147 0.914 1.00 0.00 N ATOM 1548 CA TYR A 131 10.433 4.812 -0.158 1.00 0.00 C ATOM 1549 C TYR A 131 11.757 5.378 0.365 1.00 0.00 C ATOM 1550 O TYR A 131 12.308 4.889 1.352 1.00 0.00 O ATOM 1551 CB TYR A 131 9.604 5.952 -0.754 1.00 0.00 C ATOM 1552 CG TYR A 131 10.070 6.286 -2.164 1.00 0.00 C ATOM 1553 CD1 TYR A 131 11.285 5.788 -2.682 1.00 0.00 C ATOM 1554 CD2 TYR A 131 9.255 7.091 -2.971 1.00 0.00 C ATOM 1555 CE1 TYR A 131 11.666 6.100 -3.991 1.00 0.00 C ATOM 1556 CE2 TYR A 131 9.645 7.402 -4.279 1.00 0.00 C ATOM 1557 CZ TYR A 131 10.848 6.907 -4.789 1.00 0.00 C ATOM 1558 OH TYR A 131 11.227 7.211 -6.082 1.00 0.00 O ATOM 0 H TYR A 131 8.895 4.683 1.279 1.00 0.00 H new ATOM 0 HA TYR A 131 10.645 4.068 -0.926 1.00 0.00 H new ATOM 0 HB2 TYR A 131 8.551 5.670 -0.772 1.00 0.00 H new ATOM 0 HB3 TYR A 131 9.686 6.836 -0.121 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.920 5.167 -2.068 1.00 0.00 H new ATOM 0 HD2 TYR A 131 8.323 7.473 -2.582 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.595 5.717 -4.387 1.00 0.00 H new ATOM 0 HE2 TYR A 131 9.015 8.026 -4.895 1.00 0.00 H new ATOM 0 HH TYR A 131 10.546 7.780 -6.497 1.00 0.00 H new ATOM 1568 N LYS A 132 12.257 6.419 -0.306 1.00 0.00 N ATOM 1569 CA LYS A 132 13.510 7.052 0.093 1.00 0.00 C ATOM 1570 C LYS A 132 13.250 8.297 0.926 1.00 0.00 C ATOM 1571 O LYS A 132 12.157 8.864 0.899 1.00 0.00 O ATOM 1572 CB LYS A 132 14.329 7.438 -1.138 1.00 0.00 C ATOM 1573 CG LYS A 132 13.582 8.511 -1.932 1.00 0.00 C ATOM 1574 CD LYS A 132 14.355 8.825 -3.214 1.00 0.00 C ATOM 1575 CE LYS A 132 13.763 10.070 -3.878 1.00 0.00 C ATOM 1576 NZ LYS A 132 14.004 11.259 -3.011 1.00 0.00 N ATOM 0 H LYS A 132 11.814 6.837 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 132 14.067 6.332 0.692 1.00 0.00 H new ATOM 0 HB2 LYS A 132 15.308 7.810 -0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 132 14.501 6.562 -1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 132 12.577 8.165 -2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 132 13.472 9.413 -1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.408 8.989 -2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 132 14.305 7.977 -3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 132 14.216 10.223 -4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 132 12.693 9.935 -4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 14.354 12.047 -3.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 13.115 11.538 -2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 14.711 11.022 -2.286 1.00 0.00 H new ATOM 1590 N VAL A 133 14.267 8.708 1.666 1.00 0.00 N ATOM 1591 CA VAL A 133 14.160 9.882 2.518 1.00 0.00 C ATOM 1592 C VAL A 133 14.631 11.141 1.792 1.00 0.00 C ATOM 1593 O VAL A 133 15.742 11.190 1.264 1.00 0.00 O ATOM 1594 CB VAL A 133 15.003 9.649 3.770 1.00 0.00 C ATOM 1595 CG1 VAL A 133 14.890 10.852 4.698 1.00 0.00 C ATOM 1596 CG2 VAL A 133 14.489 8.400 4.491 1.00 0.00 C ATOM 0 H VAL A 133 15.176 8.246 1.694 1.00 0.00 H new ATOM 0 HA VAL A 133 13.115 10.034 2.788 1.00 0.00 H new ATOM 0 HB VAL A 133 16.047 9.512 3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 133 15.493 10.681 5.590 1.00 0.00 H new ATOM 0 HG12 VAL A 133 15.248 11.744 4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 133 13.848 10.993 4.986 1.00 0.00 H new ATOM 0 HG21 VAL A 133 15.085 8.226 5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 133 13.446 8.545 4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 133 14.569 7.538 3.828 1.00 0.00 H new ATOM 1606 N GLU A 134 13.776 12.160 1.781 1.00 0.00 N ATOM 1607 CA GLU A 134 14.103 13.424 1.127 1.00 0.00 C ATOM 1608 C GLU A 134 14.335 13.213 -0.367 1.00 0.00 C ATOM 1609 O GLU A 134 13.390 13.368 -1.122 1.00 0.00 O ATOM 1610 CB GLU A 134 15.356 14.030 1.765 1.00 0.00 C ATOM 1611 CG GLU A 134 15.138 14.180 3.273 1.00 0.00 C ATOM 1612 CD GLU A 134 14.021 15.180 3.549 1.00 0.00 C ATOM 1613 OE1 GLU A 134 13.902 16.126 2.790 1.00 0.00 O ATOM 1614 OE2 GLU A 134 13.296 14.981 4.512 1.00 0.00 O ATOM 1615 OXT GLU A 134 15.457 12.903 -0.736 1.00 0.00 O ATOM 0 H GLU A 134 12.854 12.136 2.216 1.00 0.00 H new ATOM 0 HA GLU A 134 13.264 14.108 1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 134 16.219 13.393 1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 134 15.571 15.001 1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 134 14.886 13.213 3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 134 16.060 14.514 3.749 1.00 0.00 H new TER 1622 GLU A 134 HETATM 1623 C1 NAG A 135 15.595 1.265 -5.990 1.00 0.00 C HETATM 1624 C2 NAG A 135 16.521 0.825 -7.093 1.00 0.00 C HETATM 1625 C3 NAG A 135 17.662 0.024 -6.513 1.00 0.00 C HETATM 1626 C4 NAG A 135 18.395 0.862 -5.499 1.00 0.00 C HETATM 1627 C5 NAG A 135 17.423 1.341 -4.436 1.00 0.00 C HETATM 1628 C6 NAG A 135 18.090 2.293 -3.440 1.00 0.00 C HETATM 1629 C7 NAG A 135 16.173 -0.021 -9.340 1.00 0.00 C HETATM 1630 C8 NAG A 135 15.364 -0.872 -10.287 1.00 0.00 C HETATM 1631 N2 NAG A 135 15.780 0.015 -8.072 1.00 0.00 N HETATM 1632 O3 NAG A 135 18.557 -0.379 -7.564 1.00 0.00 O HETATM 1633 O4 NAG A 135 19.440 0.087 -4.891 1.00 0.00 O HETATM 1634 O5 NAG A 135 16.307 2.042 -5.047 1.00 0.00 O HETATM 1635 O6 NAG A 135 19.200 1.661 -2.777 1.00 0.00 O HETATM 1636 O7 NAG A 135 17.148 0.605 -9.756 1.00 0.00 O HETATM 0 HO6 NAG A 135 19.608 2.292 -2.148 1.00 0.00 H new HETATM 0 HO4 NAG A 135 19.716 0.511 -4.052 1.00 0.00 H new HETATM 0 HO3 NAG A 135 19.469 -0.440 -7.211 1.00 0.00 H new HETATM 0 HN2 NAG A 135 14.963 -0.520 -7.777 1.00 0.00 H new HETATM 0 H83 NAG A 135 15.378 -1.908 -9.948 1.00 0.00 H new HETATM 0 H82 NAG A 135 14.335 -0.512 -10.311 1.00 0.00 H new HETATM 0 H81 NAG A 135 15.793 -0.812 -11.287 1.00 0.00 H new HETATM 0 H62 NAG A 135 18.435 3.185 -3.962 1.00 0.00 H new HETATM 0 H61 NAG A 135 17.359 2.619 -2.700 1.00 0.00 H new HETATM 0 H5 NAG A 135 17.077 0.453 -3.907 1.00 0.00 H new HETATM 0 H4 NAG A 135 18.837 1.725 -5.997 1.00 0.00 H new HETATM 0 H3 NAG A 135 17.271 -0.868 -6.024 1.00 0.00 H new HETATM 0 H2 NAG A 135 16.925 1.704 -7.595 1.00 0.00 H new