USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 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 Set 1.1: A 75 MET CE :methyl 177:sc= -3.75 (180deg=-2.87) USER MOD Set 1.2: A 110 ASN : amide:sc= -3.02 K(o=-6.8,f=-8.8!) USER MOD Set 2.1: A 63 GLN : amide:sc= -0.372 K(o=-0.35,f=-2) USER MOD Set 2.2: A 66 LYS NZ :NH3+ 168:sc= 0.02 (180deg=0) USER MOD Set 3.1: A 36 GLN : amide:sc= 0.00169 K(o=-0.11,f=-1.1) USER MOD Set 3.2: A 38 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.4!) USER MOD Set 4.1: A 16 HIS : no HE2:sc= -2.98! C(o=-1.9!,f=-19!) USER MOD Set 4.2: A 60 SER OG : rot -77:sc= 1.1 USER MOD Set 4.3: A 90 THR OG1 : rot 111:sc= -1.96! USER MOD Set 4.4: A 92 SER OG : rot 156:sc= 0.61 USER MOD Set 4.5: A 105 THR OG1 : rot 155:sc= 1.34 USER MOD Set 5.1: A 3 MET CE :methyl -175:sc= -1.53 (180deg=-1.63) USER MOD Set 5.2: A 5 ASN :FLIP amide:sc= -3.01! C(o=-6.7!,f=-4.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.108 K(o=-0.11,f=-2.5!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -134:sc= -3.04! USER MOD Single : A 17 ASN : amide:sc= -4.37 K(o=-4.4,f=-17!) USER MOD Single : A 23 THR OG1 : rot -116:sc= 1.26 USER MOD Single : A 27 HIS :FLIP no HE2:sc= 0.0771 F(o=-0.86,f=0.077) USER MOD Single : A 29 CYS SG : rot 71:sc= -2.63 USER MOD Single : A 32 THR OG1 : rot 73:sc= 1.06 USER MOD Single : A 35 TYR OH : rot 111:sc= 0.0768 USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 0.0348 (180deg=0.0167) USER MOD Single : A 44 ASN : amide:sc= -4.06! C(o=-4.1!,f=-7.1!) USER MOD Single : A 49 CYS SG : rot -54:sc= -2.43 USER MOD Single : A 50 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-6!) USER MOD Single : A 54 GLN : amide:sc= -2.85! C(o=-2.9!,f=-4.2!) USER MOD Single : A 55 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.14) USER MOD Single : A 62 GLN : amide:sc= -0.0518 K(o=-0.052,f=-0.73) USER MOD Single : A 68 LYS NZ :NH3+ -136:sc= -0.381 (180deg=-2.61!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.284 F(o=-1.2,f=-0.28) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 54:sc= -4.17! USER MOD Single : A 81 LYS NZ :NH3+ -166:sc= -0.0166 (180deg=-0.181) USER MOD Single : A 82 ASN : amide:sc= -1.91 K(o=-1.9,f=-6.9!) USER MOD Single : A 83 GLN : amide:sc= -1.84 X(o=-1.8,f=-1.4) USER MOD Single : A 88 MET CE :methyl 143:sc= -8.42! (180deg=-11.8!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0538 F(o=-1.8!,f=-0.054) USER MOD Single : A 94 THR OG1 : rot 5:sc= 0.662 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.0396 F(o=-1.5!,f=-0.04) USER MOD Single : A 97 ASN : amide:sc= -2.85! X(o=-2.8!,f=-2.4) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 38:sc= 1.15 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 6:sc= 0.63 USER MOD Single : A 112 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 162:sc= -0.061 (180deg=-0.36) USER MOD Single : A 115 ASN :FLIP amide:sc= -0.0207 F(o=-1.2,f=-0.021) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -27:sc= 0.163 USER MOD Single : A 118 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.154 -11.445 -12.443 1.00 0.00 N ATOM 2 CA GLY A 1 -16.587 -12.857 -12.256 1.00 0.00 C ATOM 3 C GLY A 1 -17.058 -13.138 -10.843 1.00 0.00 C ATOM 4 O GLY A 1 -18.260 -13.224 -10.588 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.842 -11.305 -13.425 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.950 -10.808 -12.239 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.367 -11.235 -11.796 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.392 -13.082 -12.955 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.759 -13.523 -12.498 1.00 0.00 H new ATOM 10 N ALA A 2 -16.109 -13.283 -9.922 1.00 0.00 N ATOM 11 CA ALA A 2 -16.432 -13.554 -8.526 1.00 0.00 C ATOM 12 C ALA A 2 -15.604 -12.679 -7.591 1.00 0.00 C ATOM 13 O ALA A 2 -14.413 -12.466 -7.816 1.00 0.00 O ATOM 14 CB ALA A 2 -16.211 -15.025 -8.210 1.00 0.00 C ATOM 0 H ALA A 2 -15.110 -13.217 -10.118 1.00 0.00 H new ATOM 0 HA ALA A 2 -17.483 -13.314 -8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -16.456 -15.213 -7.165 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.851 -15.634 -8.848 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.167 -15.283 -8.390 1.00 0.00 H new ATOM 20 N MET A 3 -16.244 -12.173 -6.541 1.00 0.00 N ATOM 21 CA MET A 3 -15.568 -11.320 -5.570 1.00 0.00 C ATOM 22 C MET A 3 -16.090 -11.578 -4.160 1.00 0.00 C ATOM 23 O MET A 3 -17.248 -11.292 -3.854 1.00 0.00 O ATOM 24 CB MET A 3 -15.750 -9.846 -5.943 1.00 0.00 C ATOM 25 CG MET A 3 -15.340 -8.879 -4.843 1.00 0.00 C ATOM 26 SD MET A 3 -13.765 -9.312 -4.082 1.00 0.00 S ATOM 27 CE MET A 3 -12.665 -9.237 -5.494 1.00 0.00 C ATOM 0 H MET A 3 -17.230 -12.339 -6.341 1.00 0.00 H new ATOM 0 HA MET A 3 -14.505 -11.560 -5.587 1.00 0.00 H new ATOM 0 HB2 MET A 3 -15.165 -9.633 -6.838 1.00 0.00 H new ATOM 0 HB3 MET A 3 -16.796 -9.671 -6.196 1.00 0.00 H new ATOM 0 HG2 MET A 3 -15.274 -7.873 -5.257 1.00 0.00 H new ATOM 0 HG3 MET A 3 -16.115 -8.858 -4.077 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.670 -9.568 -5.198 1.00 0.00 H new ATOM 0 HE2 MET A 3 -13.043 -9.886 -6.284 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.613 -8.212 -5.860 1.00 0.00 H new ATOM 37 N ASP A 4 -15.225 -12.118 -3.306 1.00 0.00 N ATOM 38 CA ASP A 4 -15.593 -12.415 -1.925 1.00 0.00 C ATOM 39 C ASP A 4 -14.366 -12.792 -1.100 1.00 0.00 C ATOM 40 O ASP A 4 -14.322 -13.857 -0.483 1.00 0.00 O ATOM 41 CB ASP A 4 -16.624 -13.547 -1.883 1.00 0.00 C ATOM 42 CG ASP A 4 -16.140 -14.800 -2.587 1.00 0.00 C ATOM 43 OD1 ASP A 4 -16.189 -14.837 -3.835 1.00 0.00 O ATOM 44 OD2 ASP A 4 -15.714 -15.745 -1.891 1.00 0.00 O ATOM 0 H ASP A 4 -14.263 -12.359 -3.546 1.00 0.00 H new ATOM 0 HA ASP A 4 -16.033 -11.517 -1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.856 -13.784 -0.845 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -17.550 -13.208 -2.347 1.00 0.00 H new ATOM 49 N ASN A 5 -13.367 -11.911 -1.091 1.00 0.00 N ATOM 50 CA ASN A 5 -12.140 -12.154 -0.339 1.00 0.00 C ATOM 51 C ASN A 5 -12.418 -12.196 1.162 1.00 0.00 C ATOM 52 O ASN A 5 -12.404 -13.266 1.773 1.00 0.00 O ATOM 53 CB ASN A 5 -11.097 -11.077 -0.649 1.00 0.00 C ATOM 54 CG ASN A 5 -10.529 -11.200 -2.051 1.00 0.00 C ATOM 55 OD1 ASN A 5 -11.130 -10.492 -3.000 1.00 0.00 O flip ATOM 56 ND2 ASN A 5 -9.557 -11.919 -2.277 1.00 0.00 N flip ATOM 0 H ASN A 5 -13.384 -11.025 -1.595 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.747 -13.124 -0.644 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.550 -10.093 -0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.285 -11.144 0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.125 -12.446 -1.518 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.183 -11.988 -3.223 1.00 0.00 H new ATOM 63 N VAL A 6 -12.672 -11.030 1.750 1.00 0.00 N ATOM 64 CA VAL A 6 -12.953 -10.940 3.180 1.00 0.00 C ATOM 65 C VAL A 6 -14.157 -10.047 3.459 1.00 0.00 C ATOM 66 O VAL A 6 -14.812 -9.563 2.536 1.00 0.00 O ATOM 67 CB VAL A 6 -11.741 -10.398 3.961 1.00 0.00 C ATOM 68 CG1 VAL A 6 -10.660 -11.460 4.076 1.00 0.00 C ATOM 69 CG2 VAL A 6 -11.195 -9.142 3.297 1.00 0.00 C ATOM 0 H VAL A 6 -12.689 -10.136 1.259 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.173 -11.954 3.515 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.069 -10.137 4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.812 -11.058 4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.058 -12.329 4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.333 -11.756 3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.339 -8.774 3.863 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.884 -9.375 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.971 -8.377 3.273 1.00 0.00 H new ATOM 79 N CYS A 7 -14.443 -9.832 4.741 1.00 0.00 N ATOM 80 CA CYS A 7 -15.566 -8.996 5.146 1.00 0.00 C ATOM 81 C CYS A 7 -15.202 -7.519 5.046 1.00 0.00 C ATOM 82 O CYS A 7 -15.702 -6.804 4.177 1.00 0.00 O ATOM 83 CB CYS A 7 -15.995 -9.336 6.574 1.00 0.00 C ATOM 84 SG CYS A 7 -16.447 -11.069 6.815 1.00 0.00 S ATOM 0 H CYS A 7 -13.911 -10.226 5.517 1.00 0.00 H new ATOM 0 HA CYS A 7 -16.399 -9.194 4.471 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -15.182 -9.085 7.256 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -16.844 -8.709 6.846 1.00 0.00 H new ATOM 0 HG CYS A 7 -16.793 -11.259 8.054 1.00 0.00 H new ATOM 90 N GLN A 8 -14.326 -7.067 5.942 1.00 0.00 N ATOM 91 CA GLN A 8 -13.891 -5.676 5.949 1.00 0.00 C ATOM 92 C GLN A 8 -12.374 -5.576 6.089 1.00 0.00 C ATOM 93 O GLN A 8 -11.729 -6.479 6.620 1.00 0.00 O ATOM 94 CB GLN A 8 -14.571 -4.902 7.073 1.00 0.00 C ATOM 95 CG GLN A 8 -16.075 -4.779 6.901 1.00 0.00 C ATOM 96 CD GLN A 8 -16.457 -3.957 5.687 1.00 0.00 C ATOM 97 OE1 GLN A 8 -15.725 -3.055 5.279 1.00 0.00 O ATOM 98 NE2 GLN A 8 -17.608 -4.264 5.102 1.00 0.00 N ATOM 0 H GLN A 8 -13.906 -7.644 6.670 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.179 -5.235 4.995 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.361 -5.396 8.022 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.137 -3.904 7.130 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.510 -5.775 6.812 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.503 -4.323 7.794 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.184 -5.020 5.474 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.917 -3.744 4.280 1.00 0.00 H new ATOM 107 N PRO A 9 -11.789 -4.466 5.608 1.00 0.00 N ATOM 108 CA PRO A 9 -10.349 -4.233 5.657 1.00 0.00 C ATOM 109 C PRO A 9 -9.878 -3.549 6.936 1.00 0.00 C ATOM 110 O PRO A 9 -10.572 -3.533 7.952 1.00 0.00 O ATOM 111 CB PRO A 9 -10.149 -3.293 4.484 1.00 0.00 C ATOM 112 CG PRO A 9 -11.362 -2.442 4.516 1.00 0.00 C ATOM 113 CD PRO A 9 -12.486 -3.345 4.953 1.00 0.00 C ATOM 0 HA PRO A 9 -9.788 -5.167 5.625 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.240 -2.701 4.593 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.064 -3.837 3.543 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.237 -1.610 5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.564 -2.013 3.535 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.165 -2.838 5.639 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.083 -3.683 4.106 1.00 0.00 H new ATOM 121 N THR A 10 -8.682 -2.978 6.841 1.00 0.00 N ATOM 122 CA THR A 10 -8.033 -2.268 7.938 1.00 0.00 C ATOM 123 C THR A 10 -6.610 -1.928 7.520 1.00 0.00 C ATOM 124 O THR A 10 -6.129 -0.812 7.715 1.00 0.00 O ATOM 125 CB THR A 10 -7.998 -3.109 9.230 1.00 0.00 C ATOM 126 OG1 THR A 10 -7.155 -2.483 10.204 1.00 0.00 O ATOM 127 CG2 THR A 10 -7.501 -4.514 8.949 1.00 0.00 C ATOM 0 H THR A 10 -8.127 -2.996 5.985 1.00 0.00 H new ATOM 0 HA THR A 10 -8.606 -1.365 8.149 1.00 0.00 H new ATOM 0 HB THR A 10 -9.014 -3.173 9.620 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.141 -3.024 11.021 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.486 -5.087 9.876 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.166 -4.999 8.234 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.494 -4.468 8.535 1.00 0.00 H new ATOM 135 N GLU A 11 -5.957 -2.924 6.940 1.00 0.00 N ATOM 136 CA GLU A 11 -4.598 -2.804 6.436 1.00 0.00 C ATOM 137 C GLU A 11 -4.273 -4.026 5.605 1.00 0.00 C ATOM 138 O GLU A 11 -4.575 -5.152 6.001 1.00 0.00 O ATOM 139 CB GLU A 11 -3.590 -2.661 7.568 1.00 0.00 C ATOM 140 CG GLU A 11 -3.616 -3.814 8.549 1.00 0.00 C ATOM 141 CD GLU A 11 -2.570 -3.683 9.637 1.00 0.00 C ATOM 142 OE1 GLU A 11 -2.775 -2.871 10.563 1.00 0.00 O ATOM 143 OE2 GLU A 11 -1.545 -4.394 9.565 1.00 0.00 O ATOM 0 H GLU A 11 -6.362 -3.850 6.805 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.533 -1.904 5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.589 -2.577 7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.788 -1.733 8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.604 -3.874 9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.457 -4.748 8.009 1.00 0.00 H new ATOM 150 N PHE A 12 -3.665 -3.812 4.457 1.00 0.00 N ATOM 151 CA PHE A 12 -3.314 -4.925 3.593 1.00 0.00 C ATOM 152 C PHE A 12 -1.821 -4.933 3.332 1.00 0.00 C ATOM 153 O PHE A 12 -1.234 -3.923 2.945 1.00 0.00 O ATOM 154 CB PHE A 12 -4.126 -4.910 2.289 1.00 0.00 C ATOM 155 CG PHE A 12 -3.687 -3.907 1.258 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.703 -4.229 0.337 1.00 0.00 C ATOM 157 CD2 PHE A 12 -4.285 -2.659 1.186 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.323 -3.325 -0.635 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.903 -1.747 0.219 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.922 -2.084 -0.694 1.00 0.00 C ATOM 0 H PHE A 12 -3.405 -2.892 4.102 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.572 -5.852 4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.082 -5.904 1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.170 -4.717 2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.228 -5.198 0.380 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.058 -2.396 1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.557 -3.590 -1.349 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.370 -0.774 0.178 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.624 -1.376 -1.453 1.00 0.00 H new ATOM 170 N ILE A 13 -1.215 -6.083 3.565 1.00 0.00 N ATOM 171 CA ILE A 13 0.213 -6.236 3.392 1.00 0.00 C ATOM 172 C ILE A 13 0.589 -6.467 1.941 1.00 0.00 C ATOM 173 O ILE A 13 0.376 -7.547 1.400 1.00 0.00 O ATOM 174 CB ILE A 13 0.750 -7.409 4.225 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.291 -7.287 5.679 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.265 -7.450 4.135 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.074 -8.623 6.352 1.00 0.00 C ATOM 0 H ILE A 13 -1.695 -6.927 3.876 1.00 0.00 H new ATOM 0 HA ILE A 13 0.662 -5.302 3.731 1.00 0.00 H new ATOM 0 HB ILE A 13 0.352 -8.342 3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.034 -6.721 6.241 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.637 -6.716 5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.642 -8.284 4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.564 -7.579 3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.678 -6.517 4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.250 -8.464 7.380 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.691 -9.182 5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.006 -9.188 6.349 1.00 0.00 H new ATOM 189 N SER A 14 1.148 -5.449 1.315 1.00 0.00 N ATOM 190 CA SER A 14 1.583 -5.564 -0.064 1.00 0.00 C ATOM 191 C SER A 14 3.082 -5.376 -0.133 1.00 0.00 C ATOM 192 O SER A 14 3.622 -4.383 0.354 1.00 0.00 O ATOM 193 CB SER A 14 0.882 -4.530 -0.940 1.00 0.00 C ATOM 194 OG SER A 14 0.727 -5.007 -2.261 1.00 0.00 O ATOM 0 H SER A 14 1.311 -4.535 1.738 1.00 0.00 H new ATOM 0 HA SER A 14 1.322 -6.555 -0.436 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.095 -4.293 -0.518 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.458 -3.605 -0.949 1.00 0.00 H new ATOM 0 HG SER A 14 0.994 -4.309 -2.894 1.00 0.00 H new ATOM 200 N ARG A 15 3.745 -6.335 -0.744 1.00 0.00 N ATOM 201 CA ARG A 15 5.177 -6.285 -0.896 1.00 0.00 C ATOM 202 C ARG A 15 5.496 -5.706 -2.253 1.00 0.00 C ATOM 203 O ARG A 15 4.678 -5.781 -3.167 1.00 0.00 O ATOM 204 CB ARG A 15 5.783 -7.676 -0.728 1.00 0.00 C ATOM 205 CG ARG A 15 5.795 -8.155 0.712 1.00 0.00 C ATOM 206 CD ARG A 15 6.394 -9.544 0.838 1.00 0.00 C ATOM 207 NE ARG A 15 5.573 -10.557 0.179 1.00 0.00 N ATOM 208 CZ ARG A 15 5.412 -11.792 0.643 1.00 0.00 C ATOM 209 NH1 ARG A 15 6.002 -12.163 1.773 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.659 -12.657 -0.021 1.00 0.00 N ATOM 0 H ARG A 15 3.307 -7.164 -1.145 1.00 0.00 H new ATOM 0 HA ARG A 15 5.612 -5.650 -0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.221 -8.386 -1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.804 -7.669 -1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.366 -7.456 1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.777 -8.161 1.102 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.393 -9.548 0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.504 -9.797 1.893 1.00 0.00 H new ATOM 0 HE ARG A 15 5.096 -10.302 -0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.581 -11.499 2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.876 -13.112 2.126 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.203 -12.375 -0.889 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.536 -13.605 0.335 1.00 0.00 H new ATOM 224 N HIS A 16 6.670 -5.126 -2.388 1.00 0.00 N ATOM 225 CA HIS A 16 7.044 -4.504 -3.640 1.00 0.00 C ATOM 226 C HIS A 16 8.525 -4.174 -3.670 1.00 0.00 C ATOM 227 O HIS A 16 9.235 -4.360 -2.682 1.00 0.00 O ATOM 228 CB HIS A 16 6.245 -3.217 -3.803 1.00 0.00 C ATOM 229 CG HIS A 16 6.475 -2.260 -2.679 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.722 -1.765 -2.371 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.625 -1.730 -1.767 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.636 -0.976 -1.324 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.374 -0.935 -0.937 1.00 0.00 N ATOM 0 H HIS A 16 7.376 -5.072 -1.654 1.00 0.00 H new ATOM 0 HA HIS A 16 6.832 -5.199 -4.452 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.517 -2.740 -4.745 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.183 -3.456 -3.862 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.581 -1.978 -2.878 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.560 -1.901 -1.705 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.457 -0.451 -0.859 1.00 0.00 H new ATOM 242 N ASN A 17 8.980 -3.674 -4.808 1.00 0.00 N ATOM 243 CA ASN A 17 10.368 -3.275 -4.957 1.00 0.00 C ATOM 244 C ASN A 17 10.511 -1.823 -4.524 1.00 0.00 C ATOM 245 O ASN A 17 9.517 -1.177 -4.202 1.00 0.00 O ATOM 246 CB ASN A 17 10.831 -3.450 -6.404 1.00 0.00 C ATOM 247 CG ASN A 17 9.903 -2.779 -7.397 1.00 0.00 C ATOM 248 OD1 ASN A 17 9.148 -1.874 -7.046 1.00 0.00 O ATOM 249 ND2 ASN A 17 9.962 -3.215 -8.650 1.00 0.00 N ATOM 0 H ASN A 17 8.408 -3.535 -5.641 1.00 0.00 H new ATOM 0 HA ASN A 17 10.995 -3.909 -4.330 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.834 -3.037 -6.513 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.897 -4.513 -6.635 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.366 -2.796 -9.364 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.603 -3.969 -8.898 1.00 0.00 H new ATOM 256 N ILE A 18 11.728 -1.304 -4.508 1.00 0.00 N ATOM 257 CA ILE A 18 11.939 0.078 -4.102 1.00 0.00 C ATOM 258 C ILE A 18 11.018 1.018 -4.878 1.00 0.00 C ATOM 259 O ILE A 18 10.510 1.999 -4.335 1.00 0.00 O ATOM 260 CB ILE A 18 13.393 0.519 -4.313 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.596 1.938 -3.778 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.752 0.427 -5.785 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.342 2.069 -2.293 1.00 0.00 C ATOM 0 H ILE A 18 12.575 -1.810 -4.767 1.00 0.00 H new ATOM 0 HA ILE A 18 11.709 0.132 -3.038 1.00 0.00 H new ATOM 0 HB ILE A 18 14.057 -0.145 -3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.616 2.255 -3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.932 2.617 -4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.786 0.742 -5.928 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.636 -0.602 -6.124 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.092 1.076 -6.362 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.505 3.102 -1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.313 1.783 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.024 1.416 -1.748 1.00 0.00 H new ATOM 275 N GLU A 19 10.809 0.703 -6.156 1.00 0.00 N ATOM 276 CA GLU A 19 9.941 1.506 -7.018 1.00 0.00 C ATOM 277 C GLU A 19 8.543 1.560 -6.437 1.00 0.00 C ATOM 278 O GLU A 19 7.838 2.563 -6.551 1.00 0.00 O ATOM 279 CB GLU A 19 9.839 0.888 -8.416 1.00 0.00 C ATOM 280 CG GLU A 19 10.967 1.249 -9.357 1.00 0.00 C ATOM 281 CD GLU A 19 11.162 2.746 -9.496 1.00 0.00 C ATOM 282 OE1 GLU A 19 10.435 3.367 -10.300 1.00 0.00 O ATOM 283 OE2 GLU A 19 12.041 3.298 -8.802 1.00 0.00 O ATOM 0 H GLU A 19 11.229 -0.103 -6.618 1.00 0.00 H new ATOM 0 HA GLU A 19 10.373 2.505 -7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.802 -0.197 -8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.896 1.199 -8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.892 0.799 -8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.765 0.821 -10.339 1.00 0.00 H new ATOM 290 N GLY A 20 8.165 0.464 -5.808 1.00 0.00 N ATOM 291 CA GLY A 20 6.848 0.352 -5.229 1.00 0.00 C ATOM 292 C GLY A 20 6.026 -0.702 -5.936 1.00 0.00 C ATOM 293 O GLY A 20 4.930 -1.048 -5.493 1.00 0.00 O ATOM 0 H GLY A 20 8.754 -0.360 -5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.933 0.101 -4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.339 1.314 -5.289 1.00 0.00 H new ATOM 297 N ILE A 21 6.559 -1.214 -7.048 1.00 0.00 N ATOM 298 CA ILE A 21 5.887 -2.241 -7.819 1.00 0.00 C ATOM 299 C ILE A 21 5.554 -3.432 -6.944 1.00 0.00 C ATOM 300 O ILE A 21 6.444 -4.122 -6.454 1.00 0.00 O ATOM 301 CB ILE A 21 6.753 -2.722 -8.977 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.378 -1.523 -9.709 1.00 0.00 C ATOM 303 CG2 ILE A 21 5.910 -3.592 -9.894 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.408 -0.723 -10.550 1.00 0.00 C ATOM 0 H ILE A 21 7.460 -0.926 -7.429 1.00 0.00 H new ATOM 0 HA ILE A 21 4.972 -1.798 -8.213 1.00 0.00 H new ATOM 0 HB ILE A 21 7.581 -3.326 -8.607 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.832 -0.860 -8.972 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.182 -1.884 -10.350 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.521 -3.942 -10.726 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.532 -4.449 -9.336 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.072 -3.011 -10.278 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.936 0.102 -11.029 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.972 -1.367 -11.314 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.616 -0.327 -9.914 1.00 0.00 H new ATOM 316 N PHE A 22 4.271 -3.697 -6.803 1.00 0.00 N ATOM 317 CA PHE A 22 3.795 -4.768 -5.950 1.00 0.00 C ATOM 318 C PHE A 22 4.227 -6.152 -6.410 1.00 0.00 C ATOM 319 O PHE A 22 3.698 -6.693 -7.376 1.00 0.00 O ATOM 320 CB PHE A 22 2.282 -4.717 -5.890 1.00 0.00 C ATOM 321 CG PHE A 22 1.738 -3.589 -5.060 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.339 -3.213 -3.866 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.611 -2.912 -5.474 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.812 -2.177 -3.113 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.082 -1.886 -4.729 1.00 0.00 C ATOM 326 CZ PHE A 22 0.681 -1.516 -3.550 1.00 0.00 C ATOM 0 H PHE A 22 3.531 -3.178 -7.275 1.00 0.00 H new ATOM 0 HA PHE A 22 4.241 -4.610 -4.968 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.892 -4.629 -6.904 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.913 -5.660 -5.488 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.222 -3.731 -3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.135 -3.193 -6.402 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.284 -1.887 -2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.804 -1.371 -5.070 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.268 -0.708 -2.965 1.00 0.00 H new ATOM 336 N THR A 23 5.184 -6.725 -5.702 1.00 0.00 N ATOM 337 CA THR A 23 5.638 -8.068 -6.000 1.00 0.00 C ATOM 338 C THR A 23 4.762 -9.052 -5.231 1.00 0.00 C ATOM 339 O THR A 23 4.919 -10.269 -5.322 1.00 0.00 O ATOM 340 CB THR A 23 7.115 -8.249 -5.627 1.00 0.00 C ATOM 341 OG1 THR A 23 7.285 -8.104 -4.212 1.00 0.00 O ATOM 342 CG2 THR A 23 7.959 -7.219 -6.362 1.00 0.00 C ATOM 0 H THR A 23 5.660 -6.280 -4.917 1.00 0.00 H new ATOM 0 HA THR A 23 5.554 -8.252 -7.071 1.00 0.00 H new ATOM 0 HB THR A 23 7.438 -9.249 -5.918 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.853 -7.327 -4.029 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.008 -7.350 -6.095 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.839 -7.351 -7.437 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.636 -6.217 -6.081 1.00 0.00 H new ATOM 350 N PHE A 24 3.832 -8.472 -4.468 1.00 0.00 N ATOM 351 CA PHE A 24 2.867 -9.212 -3.666 1.00 0.00 C ATOM 352 C PHE A 24 1.837 -8.246 -3.089 1.00 0.00 C ATOM 353 O PHE A 24 2.147 -7.090 -2.817 1.00 0.00 O ATOM 354 CB PHE A 24 3.542 -9.980 -2.527 1.00 0.00 C ATOM 355 CG PHE A 24 2.567 -10.482 -1.489 1.00 0.00 C ATOM 356 CD1 PHE A 24 1.949 -11.714 -1.637 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.250 -9.711 -0.374 1.00 0.00 C ATOM 358 CE1 PHE A 24 1.041 -12.169 -0.698 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.340 -10.161 0.562 1.00 0.00 C ATOM 360 CZ PHE A 24 0.736 -11.389 0.402 1.00 0.00 C ATOM 0 H PHE A 24 3.731 -7.460 -4.392 1.00 0.00 H new ATOM 0 HA PHE A 24 2.380 -9.939 -4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.089 -10.827 -2.942 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.275 -9.333 -2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.179 -12.326 -2.496 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.722 -8.749 -0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.571 -13.133 -0.824 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.102 -9.550 1.420 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.025 -11.742 1.135 1.00 0.00 H new ATOM 370 N VAL A 25 0.612 -8.721 -2.932 1.00 0.00 N ATOM 371 CA VAL A 25 -0.463 -7.916 -2.365 1.00 0.00 C ATOM 372 C VAL A 25 -1.411 -8.804 -1.584 1.00 0.00 C ATOM 373 O VAL A 25 -1.931 -9.792 -2.097 1.00 0.00 O ATOM 374 CB VAL A 25 -1.267 -7.137 -3.433 1.00 0.00 C ATOM 375 CG1 VAL A 25 -2.044 -6.008 -2.793 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.366 -6.604 -4.529 1.00 0.00 C ATOM 0 H VAL A 25 0.334 -9.668 -3.191 1.00 0.00 H new ATOM 0 HA VAL A 25 0.009 -7.182 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.970 -7.833 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.603 -5.471 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.737 -6.415 -2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.353 -5.323 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.965 -6.063 -5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.374 -5.931 -4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.142 -7.435 -5.019 1.00 0.00 H new ATOM 386 N ASP A 26 -1.608 -8.451 -0.331 1.00 0.00 N ATOM 387 CA ASP A 26 -2.488 -9.196 0.547 1.00 0.00 C ATOM 388 C ASP A 26 -3.944 -9.008 0.106 1.00 0.00 C ATOM 389 O ASP A 26 -4.376 -7.892 -0.176 1.00 0.00 O ATOM 390 CB ASP A 26 -2.240 -8.738 1.981 1.00 0.00 C ATOM 391 CG ASP A 26 -3.387 -9.048 2.921 1.00 0.00 C ATOM 392 OD1 ASP A 26 -3.812 -10.219 2.972 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.849 -8.121 3.615 1.00 0.00 O ATOM 0 H ASP A 26 -1.165 -7.643 0.107 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.283 -10.265 0.494 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.335 -9.216 2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.058 -7.663 1.985 1.00 0.00 H new ATOM 398 N HIS A 27 -4.682 -10.118 0.037 1.00 0.00 N ATOM 399 CA HIS A 27 -6.077 -10.121 -0.429 1.00 0.00 C ATOM 400 C HIS A 27 -6.980 -9.101 0.266 1.00 0.00 C ATOM 401 O HIS A 27 -8.098 -8.870 -0.188 1.00 0.00 O ATOM 402 CB HIS A 27 -6.671 -11.526 -0.317 1.00 0.00 C ATOM 403 CG HIS A 27 -6.833 -12.018 1.090 1.00 0.00 C ATOM 404 ND1 HIS A 27 -5.935 -12.145 2.095 1.00 0.00 N flip ATOM 405 CD2 HIS A 27 -8.033 -12.472 1.594 1.00 0.00 C flip ATOM 406 CE1 HIS A 27 -6.602 -12.668 3.174 1.00 0.00 C flip ATOM 407 NE2 HIS A 27 -7.865 -12.856 2.846 1.00 0.00 N flip ATOM 0 H HIS A 27 -4.334 -11.040 0.301 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.039 -9.812 -1.474 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.645 -11.536 -0.807 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.033 -12.222 -0.861 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -4.946 -11.898 2.057 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.965 -12.508 1.050 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.164 -12.890 4.136 1.00 0.00 H new ATOM 416 N ARG A 28 -6.529 -8.503 1.358 1.00 0.00 N ATOM 417 CA ARG A 28 -7.346 -7.502 2.039 1.00 0.00 C ATOM 418 C ARG A 28 -7.475 -6.259 1.167 1.00 0.00 C ATOM 419 O ARG A 28 -8.432 -5.495 1.282 1.00 0.00 O ATOM 420 CB ARG A 28 -6.749 -7.125 3.393 1.00 0.00 C ATOM 421 CG ARG A 28 -7.191 -8.034 4.524 1.00 0.00 C ATOM 422 CD ARG A 28 -7.325 -7.266 5.828 1.00 0.00 C ATOM 423 NE ARG A 28 -7.807 -8.115 6.915 1.00 0.00 N ATOM 424 CZ ARG A 28 -7.270 -8.134 8.131 1.00 0.00 C ATOM 425 NH1 ARG A 28 -6.234 -7.358 8.416 1.00 0.00 N ATOM 426 NH2 ARG A 28 -7.769 -8.934 9.063 1.00 0.00 N ATOM 0 H ARG A 28 -5.622 -8.685 1.787 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.333 -7.932 2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.662 -7.150 3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.029 -6.099 3.632 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.146 -8.495 4.271 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.470 -8.842 4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.358 -6.842 6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.011 -6.431 5.688 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.601 -8.728 6.730 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.846 -6.743 7.701 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.825 -7.376 9.350 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.565 -9.535 8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.357 -8.949 9.996 1.00 0.00 H new ATOM 440 N CYS A 29 -6.489 -6.079 0.300 1.00 0.00 N ATOM 441 CA CYS A 29 -6.421 -4.947 -0.606 1.00 0.00 C ATOM 442 C CYS A 29 -7.723 -4.704 -1.369 1.00 0.00 C ATOM 443 O CYS A 29 -7.987 -3.583 -1.783 1.00 0.00 O ATOM 444 CB CYS A 29 -5.288 -5.177 -1.595 1.00 0.00 C ATOM 445 SG CYS A 29 -5.538 -6.601 -2.674 1.00 0.00 S ATOM 0 H CYS A 29 -5.705 -6.725 0.207 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.244 -4.058 -0.001 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.168 -4.285 -2.209 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.358 -5.311 -1.042 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.480 -6.337 -3.530 1.00 0.00 H new ATOM 451 N VAL A 30 -8.527 -5.735 -1.588 1.00 0.00 N ATOM 452 CA VAL A 30 -9.777 -5.540 -2.316 1.00 0.00 C ATOM 453 C VAL A 30 -10.828 -4.891 -1.416 1.00 0.00 C ATOM 454 O VAL A 30 -11.678 -4.139 -1.881 1.00 0.00 O ATOM 455 CB VAL A 30 -10.315 -6.855 -2.925 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.310 -7.980 -2.764 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.646 -7.234 -2.315 1.00 0.00 C ATOM 0 H VAL A 30 -8.346 -6.691 -1.282 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.562 -4.869 -3.148 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.469 -6.688 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.713 -8.894 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.382 -7.714 -3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.111 -8.142 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.000 -8.163 -2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.528 -7.371 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.371 -6.442 -2.502 1.00 0.00 H new ATOM 467 N ALA A 31 -10.790 -5.206 -0.131 1.00 0.00 N ATOM 468 CA ALA A 31 -11.721 -4.610 0.814 1.00 0.00 C ATOM 469 C ALA A 31 -11.230 -3.225 1.198 1.00 0.00 C ATOM 470 O ALA A 31 -12.010 -2.342 1.549 1.00 0.00 O ATOM 471 CB ALA A 31 -11.854 -5.476 2.053 1.00 0.00 C ATOM 0 H ALA A 31 -10.130 -5.866 0.279 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.702 -4.533 0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.555 -5.013 2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.222 -6.462 1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.881 -5.576 2.533 1.00 0.00 H new ATOM 477 N THR A 32 -9.919 -3.057 1.092 1.00 0.00 N ATOM 478 CA THR A 32 -9.248 -1.813 1.445 1.00 0.00 C ATOM 479 C THR A 32 -9.285 -0.780 0.323 1.00 0.00 C ATOM 480 O THR A 32 -9.801 0.323 0.499 1.00 0.00 O ATOM 481 CB THR A 32 -7.779 -2.109 1.765 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.682 -3.220 2.663 1.00 0.00 O ATOM 483 CG2 THR A 32 -7.102 -0.904 2.376 1.00 0.00 C ATOM 0 H THR A 32 -9.287 -3.784 0.757 1.00 0.00 H new ATOM 0 HA THR A 32 -9.777 -1.400 2.304 1.00 0.00 H new ATOM 0 HB THR A 32 -7.275 -2.353 0.830 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.899 -4.047 2.184 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.061 -1.143 2.593 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.145 -0.069 1.677 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.611 -0.630 3.300 1.00 0.00 H new ATOM 491 N VAL A 33 -8.736 -1.149 -0.828 1.00 0.00 N ATOM 492 CA VAL A 33 -8.679 -0.254 -1.970 1.00 0.00 C ATOM 493 C VAL A 33 -9.479 -0.788 -3.146 1.00 0.00 C ATOM 494 O VAL A 33 -9.373 -0.283 -4.259 1.00 0.00 O ATOM 495 CB VAL A 33 -7.222 -0.007 -2.397 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.477 0.700 -1.282 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.536 -1.310 -2.743 1.00 0.00 C ATOM 0 H VAL A 33 -8.323 -2.067 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.125 0.691 -1.660 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.219 0.623 -3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.445 0.874 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.959 1.655 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.491 0.081 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.507 -1.111 -3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.541 -1.966 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.066 -1.793 -3.564 1.00 0.00 H new ATOM 507 N GLY A 34 -10.261 -1.831 -2.900 1.00 0.00 N ATOM 508 CA GLY A 34 -11.093 -2.400 -3.957 1.00 0.00 C ATOM 509 C GLY A 34 -10.305 -3.223 -4.954 1.00 0.00 C ATOM 510 O GLY A 34 -10.825 -4.175 -5.536 1.00 0.00 O ATOM 0 H GLY A 34 -10.338 -2.295 -1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.864 -3.025 -3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.604 -1.593 -4.483 1.00 0.00 H new ATOM 514 N TYR A 35 -9.051 -2.853 -5.147 1.00 0.00 N ATOM 515 CA TYR A 35 -8.178 -3.540 -6.080 1.00 0.00 C ATOM 516 C TYR A 35 -7.752 -4.899 -5.557 1.00 0.00 C ATOM 517 O TYR A 35 -7.089 -4.990 -4.524 1.00 0.00 O ATOM 518 CB TYR A 35 -6.948 -2.690 -6.331 1.00 0.00 C ATOM 519 CG TYR A 35 -7.278 -1.391 -6.996 1.00 0.00 C ATOM 520 CD1 TYR A 35 -7.962 -1.367 -8.198 1.00 0.00 C ATOM 521 CD2 TYR A 35 -6.916 -0.191 -6.421 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.275 -0.184 -8.813 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.221 1.004 -7.028 1.00 0.00 C ATOM 524 CZ TYR A 35 -7.902 1.007 -8.228 1.00 0.00 C ATOM 525 OH TYR A 35 -8.210 2.200 -8.841 1.00 0.00 O ATOM 0 H TYR A 35 -8.611 -2.070 -4.663 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.731 -3.696 -7.007 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.447 -2.493 -5.384 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.247 -3.246 -6.953 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.255 -2.298 -8.660 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.385 -0.190 -5.480 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.811 -0.184 -9.751 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.929 1.936 -6.568 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.887 2.673 -8.314 1.00 0.00 H new ATOM 535 N GLN A 36 -8.134 -5.956 -6.263 1.00 0.00 N ATOM 536 CA GLN A 36 -7.747 -7.294 -5.867 1.00 0.00 C ATOM 537 C GLN A 36 -6.224 -7.372 -5.858 1.00 0.00 C ATOM 538 O GLN A 36 -5.570 -6.552 -6.500 1.00 0.00 O ATOM 539 CB GLN A 36 -8.329 -8.326 -6.833 1.00 0.00 C ATOM 540 CG GLN A 36 -9.825 -8.179 -7.051 1.00 0.00 C ATOM 541 CD GLN A 36 -10.369 -9.171 -8.061 1.00 0.00 C ATOM 542 OE1 GLN A 36 -9.839 -10.271 -8.217 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.437 -8.787 -8.751 1.00 0.00 N ATOM 0 H GLN A 36 -8.707 -5.909 -7.106 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.135 -7.513 -4.872 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.820 -8.240 -7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.122 -9.326 -6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.342 -8.314 -6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.041 -7.166 -7.390 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.844 -7.866 -8.590 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.850 -9.413 -9.442 1.00 0.00 H new ATOM 552 N PRO A 37 -5.628 -8.324 -5.128 1.00 0.00 N ATOM 553 CA PRO A 37 -4.181 -8.439 -5.075 1.00 0.00 C ATOM 554 C PRO A 37 -3.553 -8.376 -6.458 1.00 0.00 C ATOM 555 O PRO A 37 -2.500 -7.774 -6.635 1.00 0.00 O ATOM 556 CB PRO A 37 -3.930 -9.795 -4.439 1.00 0.00 C ATOM 557 CG PRO A 37 -5.201 -10.223 -3.799 1.00 0.00 C ATOM 558 CD PRO A 37 -6.303 -9.332 -4.300 1.00 0.00 C ATOM 0 HA PRO A 37 -3.736 -7.617 -4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.614 -10.519 -5.190 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.130 -9.732 -3.701 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.416 -11.264 -4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.122 -10.156 -2.714 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.033 -9.896 -4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.842 -8.868 -3.474 1.00 0.00 H new ATOM 566 N GLN A 38 -4.206 -8.998 -7.436 1.00 0.00 N ATOM 567 CA GLN A 38 -3.706 -8.995 -8.805 1.00 0.00 C ATOM 568 C GLN A 38 -3.862 -7.611 -9.428 1.00 0.00 C ATOM 569 O GLN A 38 -3.065 -7.205 -10.273 1.00 0.00 O ATOM 570 CB GLN A 38 -4.433 -10.037 -9.642 1.00 0.00 C ATOM 571 CG GLN A 38 -5.909 -9.753 -9.782 1.00 0.00 C ATOM 572 CD GLN A 38 -6.527 -10.425 -10.992 1.00 0.00 C ATOM 573 OE1 GLN A 38 -5.863 -10.635 -12.007 1.00 0.00 O ATOM 574 NE2 GLN A 38 -7.806 -10.766 -10.890 1.00 0.00 N ATOM 0 H GLN A 38 -5.079 -9.508 -7.305 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.646 -9.248 -8.783 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.981 -10.080 -10.633 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.299 -11.019 -9.188 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.425 -10.089 -8.883 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.061 -8.676 -9.853 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.318 -10.573 -10.029 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.276 -11.221 -11.672 1.00 0.00 H new ATOM 583 N GLU A 39 -4.897 -6.894 -8.999 1.00 0.00 N ATOM 584 CA GLU A 39 -5.161 -5.550 -9.493 1.00 0.00 C ATOM 585 C GLU A 39 -4.097 -4.580 -9.002 1.00 0.00 C ATOM 586 O GLU A 39 -4.047 -3.426 -9.428 1.00 0.00 O ATOM 587 CB GLU A 39 -6.527 -5.082 -9.041 1.00 0.00 C ATOM 588 CG GLU A 39 -7.412 -4.691 -10.207 1.00 0.00 C ATOM 589 CD GLU A 39 -6.657 -3.995 -11.326 1.00 0.00 C ATOM 590 OE1 GLU A 39 -6.420 -2.774 -11.213 1.00 0.00 O ATOM 591 OE2 GLU A 39 -6.303 -4.673 -12.314 1.00 0.00 O ATOM 0 H GLU A 39 -5.569 -7.225 -8.307 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.136 -5.577 -10.582 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.010 -5.875 -8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.414 -4.230 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.894 -5.584 -10.604 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.204 -4.034 -9.849 1.00 0.00 H new ATOM 598 N LEU A 40 -3.254 -5.059 -8.095 1.00 0.00 N ATOM 599 CA LEU A 40 -2.186 -4.253 -7.530 1.00 0.00 C ATOM 600 C LEU A 40 -0.831 -4.817 -7.934 1.00 0.00 C ATOM 601 O LEU A 40 0.113 -4.079 -8.204 1.00 0.00 O ATOM 602 CB LEU A 40 -2.304 -4.241 -6.008 1.00 0.00 C ATOM 603 CG LEU A 40 -3.054 -3.069 -5.368 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.495 -2.030 -6.390 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.248 -3.603 -4.601 1.00 0.00 C ATOM 0 H LEU A 40 -3.293 -6.012 -7.734 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.272 -3.235 -7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.796 -5.164 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.297 -4.264 -5.592 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.369 -2.562 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.022 -1.222 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.620 -1.629 -6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.159 -2.495 -7.118 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.787 -2.774 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.912 -4.133 -5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.905 -4.287 -3.824 1.00 0.00 H new ATOM 617 N LEU A 41 -0.762 -6.137 -7.979 1.00 0.00 N ATOM 618 CA LEU A 41 0.458 -6.844 -8.333 1.00 0.00 C ATOM 619 C LEU A 41 1.015 -6.364 -9.666 1.00 0.00 C ATOM 620 O LEU A 41 0.307 -6.317 -10.672 1.00 0.00 O ATOM 621 CB LEU A 41 0.179 -8.347 -8.376 1.00 0.00 C ATOM 622 CG LEU A 41 0.264 -9.051 -7.022 1.00 0.00 C ATOM 623 CD1 LEU A 41 -0.723 -10.208 -6.941 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.683 -9.535 -6.769 1.00 0.00 C ATOM 0 H LEU A 41 -1.551 -6.749 -7.771 1.00 0.00 H new ATOM 0 HA LEU A 41 1.212 -6.636 -7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.816 -8.506 -8.791 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.888 -8.815 -9.059 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.003 -8.333 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.640 -10.690 -5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.737 -9.831 -7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.500 -10.932 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.730 -10.035 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.974 -10.234 -7.553 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.364 -8.684 -6.771 1.00 0.00 H new ATOM 636 N GLY A 42 2.294 -6.010 -9.654 1.00 0.00 N ATOM 637 CA GLY A 42 2.951 -5.532 -10.850 1.00 0.00 C ATOM 638 C GLY A 42 2.743 -4.049 -11.059 1.00 0.00 C ATOM 639 O GLY A 42 3.283 -3.463 -11.998 1.00 0.00 O ATOM 0 H GLY A 42 2.891 -6.047 -8.828 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.019 -5.742 -10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.571 -6.076 -11.714 1.00 0.00 H new ATOM 643 N LYS A 43 1.958 -3.443 -10.179 1.00 0.00 N ATOM 644 CA LYS A 43 1.670 -2.022 -10.262 1.00 0.00 C ATOM 645 C LYS A 43 2.443 -1.245 -9.219 1.00 0.00 C ATOM 646 O LYS A 43 2.599 -1.687 -8.081 1.00 0.00 O ATOM 647 CB LYS A 43 0.184 -1.761 -10.055 1.00 0.00 C ATOM 648 CG LYS A 43 -0.703 -2.648 -10.892 1.00 0.00 C ATOM 649 CD LYS A 43 -1.986 -1.942 -11.285 1.00 0.00 C ATOM 650 CE LYS A 43 -2.512 -2.442 -12.621 1.00 0.00 C ATOM 651 NZ LYS A 43 -3.789 -1.778 -12.999 1.00 0.00 N ATOM 0 H LYS A 43 1.508 -3.918 -9.396 1.00 0.00 H new ATOM 0 HA LYS A 43 1.970 -1.691 -11.256 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.059 -1.906 -9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.030 -0.719 -10.291 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.167 -2.957 -11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.941 -3.554 -10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.740 -2.100 -10.514 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.809 -0.868 -11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.766 -2.262 -13.395 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.665 -3.520 -12.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.000 -1.975 -13.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.560 -2.143 -12.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.701 -0.751 -12.860 1.00 0.00 H new ATOM 665 N ASN A 44 2.918 -0.081 -9.616 1.00 0.00 N ATOM 666 CA ASN A 44 3.647 0.784 -8.709 1.00 0.00 C ATOM 667 C ASN A 44 2.684 1.331 -7.666 1.00 0.00 C ATOM 668 O ASN A 44 1.728 2.029 -7.993 1.00 0.00 O ATOM 669 CB ASN A 44 4.305 1.930 -9.481 1.00 0.00 C ATOM 670 CG ASN A 44 5.401 2.614 -8.698 1.00 0.00 C ATOM 671 OD1 ASN A 44 5.139 3.472 -7.859 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.637 2.250 -8.992 1.00 0.00 N ATOM 0 H ASN A 44 2.812 0.288 -10.561 1.00 0.00 H new ATOM 0 HA ASN A 44 4.433 0.214 -8.214 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.718 1.544 -10.413 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.545 2.664 -9.749 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.425 2.687 -8.514 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.803 1.532 -9.697 1.00 0.00 H new ATOM 679 N ILE A 45 2.928 0.978 -6.415 1.00 0.00 N ATOM 680 CA ILE A 45 2.095 1.417 -5.311 1.00 0.00 C ATOM 681 C ILE A 45 1.843 2.922 -5.360 1.00 0.00 C ATOM 682 O ILE A 45 0.722 3.379 -5.139 1.00 0.00 O ATOM 683 CB ILE A 45 2.758 1.052 -3.978 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.868 1.433 -2.802 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.100 1.733 -3.873 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.453 1.068 -1.454 1.00 0.00 C ATOM 0 H ILE A 45 3.707 0.381 -6.138 1.00 0.00 H new ATOM 0 HA ILE A 45 1.135 0.909 -5.398 1.00 0.00 H new ATOM 0 HB ILE A 45 2.904 -0.028 -3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.684 2.507 -2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.902 0.941 -2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.568 1.471 -2.924 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.738 1.408 -4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.965 2.813 -3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.764 1.369 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.611 -0.009 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.405 1.581 -1.320 1.00 0.00 H new ATOM 698 N VAL A 46 2.888 3.685 -5.665 1.00 0.00 N ATOM 699 CA VAL A 46 2.771 5.133 -5.721 1.00 0.00 C ATOM 700 C VAL A 46 1.924 5.578 -6.911 1.00 0.00 C ATOM 701 O VAL A 46 1.316 6.645 -6.873 1.00 0.00 O ATOM 702 CB VAL A 46 4.143 5.849 -5.718 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.240 4.910 -5.249 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.470 6.459 -7.072 1.00 0.00 C ATOM 0 H VAL A 46 3.819 3.325 -5.876 1.00 0.00 H new ATOM 0 HA VAL A 46 2.260 5.433 -4.806 1.00 0.00 H new ATOM 0 HB VAL A 46 4.081 6.675 -5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.195 5.435 -5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.019 4.569 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.294 4.051 -5.917 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.441 6.951 -7.024 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.498 5.674 -7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.706 7.190 -7.336 1.00 0.00 H new ATOM 714 N GLU A 47 1.909 4.781 -7.984 1.00 0.00 N ATOM 715 CA GLU A 47 1.099 5.118 -9.152 1.00 0.00 C ATOM 716 C GLU A 47 -0.335 5.388 -8.718 1.00 0.00 C ATOM 717 O GLU A 47 -1.040 6.196 -9.323 1.00 0.00 O ATOM 718 CB GLU A 47 1.132 4.000 -10.195 1.00 0.00 C ATOM 719 CG GLU A 47 2.208 4.184 -11.253 1.00 0.00 C ATOM 720 CD GLU A 47 2.147 3.123 -12.335 1.00 0.00 C ATOM 721 OE1 GLU A 47 2.783 2.062 -12.165 1.00 0.00 O ATOM 722 OE2 GLU A 47 1.460 3.352 -13.353 1.00 0.00 O ATOM 0 H GLU A 47 2.439 3.914 -8.066 1.00 0.00 H new ATOM 0 HA GLU A 47 1.517 6.014 -9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.291 3.048 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.160 3.943 -10.684 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.101 5.169 -11.708 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.189 4.157 -10.778 1.00 0.00 H new ATOM 729 N PHE A 48 -0.758 4.700 -7.660 1.00 0.00 N ATOM 730 CA PHE A 48 -2.093 4.887 -7.109 1.00 0.00 C ATOM 731 C PHE A 48 -2.052 6.041 -6.132 1.00 0.00 C ATOM 732 O PHE A 48 -3.000 6.813 -6.009 1.00 0.00 O ATOM 733 CB PHE A 48 -2.570 3.632 -6.382 1.00 0.00 C ATOM 734 CG PHE A 48 -2.689 2.431 -7.265 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.582 1.649 -7.540 1.00 0.00 C ATOM 736 CD2 PHE A 48 -3.912 2.080 -7.811 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.696 0.532 -8.350 1.00 0.00 C ATOM 738 CE2 PHE A 48 -4.030 0.970 -8.620 1.00 0.00 C ATOM 739 CZ PHE A 48 -2.920 0.197 -8.887 1.00 0.00 C ATOM 0 H PHE A 48 -0.193 4.008 -7.168 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.786 5.093 -7.925 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.877 3.408 -5.571 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.539 3.834 -5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.622 1.911 -7.120 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.783 2.683 -7.601 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.828 -0.075 -8.560 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.988 0.707 -9.043 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.010 -0.674 -9.519 1.00 0.00 H new ATOM 749 N CYS A 49 -0.924 6.136 -5.440 1.00 0.00 N ATOM 750 CA CYS A 49 -0.701 7.195 -4.462 1.00 0.00 C ATOM 751 C CYS A 49 -0.836 8.566 -5.109 1.00 0.00 C ATOM 752 O CYS A 49 -0.500 8.743 -6.280 1.00 0.00 O ATOM 753 CB CYS A 49 0.695 7.067 -3.855 1.00 0.00 C ATOM 754 SG CYS A 49 1.190 8.477 -2.838 1.00 0.00 S ATOM 0 H CYS A 49 -0.143 5.487 -5.539 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.454 7.093 -3.680 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.734 6.163 -3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.419 6.941 -4.660 1.00 0.00 H new ATOM 0 HG CYS A 49 1.073 9.572 -3.528 1.00 0.00 H new ATOM 760 N HIS A 50 -1.336 9.533 -4.347 1.00 0.00 N ATOM 761 CA HIS A 50 -1.479 10.889 -4.852 1.00 0.00 C ATOM 762 C HIS A 50 -0.105 11.407 -5.266 1.00 0.00 C ATOM 763 O HIS A 50 0.855 11.249 -4.520 1.00 0.00 O ATOM 764 CB HIS A 50 -2.103 11.791 -3.782 1.00 0.00 C ATOM 765 CG HIS A 50 -2.529 13.138 -4.279 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.675 14.016 -4.913 1.00 0.00 N ATOM 767 CD2 HIS A 50 -3.734 13.760 -4.227 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.333 15.118 -5.228 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.583 14.987 -4.824 1.00 0.00 N ATOM 0 H HIS A 50 -1.646 9.402 -3.384 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.141 10.894 -5.718 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.969 11.284 -3.357 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.384 11.926 -2.974 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.642 13.364 -3.797 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.919 15.979 -5.731 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.318 15.685 -4.937 1.00 0.00 H new ATOM 778 N PRO A 51 0.017 12.009 -6.461 1.00 0.00 N ATOM 779 CA PRO A 51 1.296 12.514 -6.971 1.00 0.00 C ATOM 780 C PRO A 51 2.113 13.279 -5.933 1.00 0.00 C ATOM 781 O PRO A 51 3.252 12.912 -5.635 1.00 0.00 O ATOM 782 CB PRO A 51 0.865 13.430 -8.107 1.00 0.00 C ATOM 783 CG PRO A 51 -0.376 12.800 -8.623 1.00 0.00 C ATOM 784 CD PRO A 51 -1.079 12.262 -7.413 1.00 0.00 C ATOM 0 HA PRO A 51 1.959 11.703 -7.272 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.681 14.445 -7.754 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.631 13.495 -8.880 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.997 13.526 -9.148 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.148 12.004 -9.332 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.798 12.978 -7.016 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.630 11.350 -7.642 1.00 0.00 H new ATOM 792 N GLU A 52 1.529 14.338 -5.384 1.00 0.00 N ATOM 793 CA GLU A 52 2.205 15.163 -4.389 1.00 0.00 C ATOM 794 C GLU A 52 2.644 14.344 -3.176 1.00 0.00 C ATOM 795 O GLU A 52 3.502 14.774 -2.405 1.00 0.00 O ATOM 796 CB GLU A 52 1.276 16.290 -3.943 1.00 0.00 C ATOM 797 CG GLU A 52 0.869 17.226 -5.068 1.00 0.00 C ATOM 798 CD GLU A 52 -0.079 18.316 -4.607 1.00 0.00 C ATOM 799 OE1 GLU A 52 0.408 19.357 -4.118 1.00 0.00 O ATOM 800 OE2 GLU A 52 -1.306 18.129 -4.737 1.00 0.00 O ATOM 0 H GLU A 52 0.584 14.647 -5.612 1.00 0.00 H new ATOM 0 HA GLU A 52 3.101 15.578 -4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.379 15.856 -3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.769 16.868 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.761 17.683 -5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.395 16.649 -5.862 1.00 0.00 H new ATOM 807 N ASP A 53 2.054 13.165 -3.013 1.00 0.00 N ATOM 808 CA ASP A 53 2.372 12.298 -1.886 1.00 0.00 C ATOM 809 C ASP A 53 3.283 11.131 -2.278 1.00 0.00 C ATOM 810 O ASP A 53 3.877 10.495 -1.407 1.00 0.00 O ATOM 811 CB ASP A 53 1.084 11.754 -1.266 1.00 0.00 C ATOM 812 CG ASP A 53 0.204 12.853 -0.701 1.00 0.00 C ATOM 813 OD1 ASP A 53 -0.600 13.424 -1.467 1.00 0.00 O ATOM 814 OD2 ASP A 53 0.318 13.142 0.509 1.00 0.00 O ATOM 0 H ASP A 53 1.351 12.788 -3.649 1.00 0.00 H new ATOM 0 HA ASP A 53 2.913 12.905 -1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.527 11.199 -2.021 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.335 11.050 -0.473 1.00 0.00 H new ATOM 819 N GLN A 54 3.397 10.840 -3.576 1.00 0.00 N ATOM 820 CA GLN A 54 4.237 9.740 -4.022 1.00 0.00 C ATOM 821 C GLN A 54 5.679 9.954 -3.589 1.00 0.00 C ATOM 822 O GLN A 54 6.390 9.002 -3.278 1.00 0.00 O ATOM 823 CB GLN A 54 4.176 9.579 -5.536 1.00 0.00 C ATOM 824 CG GLN A 54 2.776 9.597 -6.104 1.00 0.00 C ATOM 825 CD GLN A 54 2.763 9.482 -7.616 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.705 9.899 -8.289 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.691 8.921 -8.156 1.00 0.00 N ATOM 0 H GLN A 54 2.923 11.347 -4.324 1.00 0.00 H new ATOM 0 HA GLN A 54 3.857 8.829 -3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.754 10.379 -5.999 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.655 8.639 -5.810 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.202 8.775 -5.675 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.279 10.521 -5.809 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.933 8.589 -7.559 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.623 8.821 -9.169 1.00 0.00 H new ATOM 836 N GLN A 55 6.105 11.211 -3.578 1.00 0.00 N ATOM 837 CA GLN A 55 7.463 11.544 -3.177 1.00 0.00 C ATOM 838 C GLN A 55 7.722 11.101 -1.743 1.00 0.00 C ATOM 839 O GLN A 55 8.841 10.737 -1.383 1.00 0.00 O ATOM 840 CB GLN A 55 7.709 13.046 -3.313 1.00 0.00 C ATOM 841 CG GLN A 55 9.148 13.454 -3.047 1.00 0.00 C ATOM 842 CD GLN A 55 10.118 12.840 -4.035 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.405 13.417 -5.084 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.632 11.661 -3.703 1.00 0.00 N ATOM 0 H GLN A 55 5.531 12.012 -3.841 1.00 0.00 H new ATOM 0 HA GLN A 55 8.151 11.015 -3.836 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.431 13.361 -4.319 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.056 13.577 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.228 14.540 -3.091 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.426 13.155 -2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.366 11.218 -2.823 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.292 11.198 -4.328 1.00 0.00 H new ATOM 853 N LEU A 56 6.670 11.131 -0.934 1.00 0.00 N ATOM 854 CA LEU A 56 6.748 10.738 0.457 1.00 0.00 C ATOM 855 C LEU A 56 6.705 9.224 0.572 1.00 0.00 C ATOM 856 O LEU A 56 7.386 8.629 1.406 1.00 0.00 O ATOM 857 CB LEU A 56 5.589 11.371 1.230 1.00 0.00 C ATOM 858 CG LEU A 56 5.250 10.720 2.569 1.00 0.00 C ATOM 859 CD1 LEU A 56 5.694 11.600 3.726 1.00 0.00 C ATOM 860 CD2 LEU A 56 3.758 10.441 2.644 1.00 0.00 C ATOM 0 H LEU A 56 5.741 11.430 -1.230 1.00 0.00 H new ATOM 0 HA LEU A 56 7.689 11.087 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.825 12.420 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.700 11.346 0.600 1.00 0.00 H new ATOM 0 HG LEU A 56 5.788 9.775 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.442 11.115 4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.772 11.753 3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.187 12.563 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.522 9.977 3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.208 11.377 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.472 9.769 1.835 1.00 0.00 H new ATOM 872 N LEU A 57 5.893 8.612 -0.279 1.00 0.00 N ATOM 873 CA LEU A 57 5.754 7.167 -0.294 1.00 0.00 C ATOM 874 C LEU A 57 7.076 6.529 -0.681 1.00 0.00 C ATOM 875 O LEU A 57 7.633 5.716 0.056 1.00 0.00 O ATOM 876 CB LEU A 57 4.664 6.761 -1.284 1.00 0.00 C ATOM 877 CG LEU A 57 4.250 5.294 -1.229 1.00 0.00 C ATOM 878 CD1 LEU A 57 3.890 4.902 0.192 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.084 5.033 -2.171 1.00 0.00 C ATOM 0 H LEU A 57 5.320 9.098 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 57 5.472 6.822 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.783 7.377 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.009 6.987 -2.293 1.00 0.00 H new ATOM 0 HG LEU A 57 5.092 4.682 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.596 3.853 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.753 5.053 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.062 5.519 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.802 3.981 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.235 5.651 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.378 5.279 -3.191 1.00 0.00 H new ATOM 891 N ARG A 58 7.566 6.911 -1.851 1.00 0.00 N ATOM 892 CA ARG A 58 8.837 6.418 -2.352 1.00 0.00 C ATOM 893 C ARG A 58 9.936 6.702 -1.340 1.00 0.00 C ATOM 894 O ARG A 58 10.820 5.876 -1.123 1.00 0.00 O ATOM 895 CB ARG A 58 9.176 7.084 -3.685 1.00 0.00 C ATOM 896 CG ARG A 58 8.119 6.873 -4.755 1.00 0.00 C ATOM 897 CD ARG A 58 8.363 7.767 -5.959 1.00 0.00 C ATOM 898 NE ARG A 58 9.686 7.555 -6.539 1.00 0.00 N ATOM 899 CZ ARG A 58 10.319 8.457 -7.284 1.00 0.00 C ATOM 900 NH1 ARG A 58 9.755 9.632 -7.531 1.00 0.00 N ATOM 901 NH2 ARG A 58 11.519 8.185 -7.779 1.00 0.00 N ATOM 0 H ARG A 58 7.096 7.567 -2.475 1.00 0.00 H new ATOM 0 HA ARG A 58 8.759 5.342 -2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.310 8.154 -3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.128 6.694 -4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.120 5.829 -5.069 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.133 7.080 -4.340 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.601 7.574 -6.714 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.260 8.811 -5.662 1.00 0.00 H new ATOM 0 HE ARG A 58 10.151 6.665 -6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.834 9.846 -7.149 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.243 10.322 -8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.957 7.284 -7.588 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.004 8.877 -8.350 1.00 0.00 H new ATOM 915 N ASP A 59 9.862 7.878 -0.719 1.00 0.00 N ATOM 916 CA ASP A 59 10.844 8.278 0.283 1.00 0.00 C ATOM 917 C ASP A 59 10.939 7.224 1.359 1.00 0.00 C ATOM 918 O ASP A 59 12.032 6.800 1.732 1.00 0.00 O ATOM 919 CB ASP A 59 10.469 9.621 0.901 1.00 0.00 C ATOM 920 CG ASP A 59 11.490 10.100 1.913 1.00 0.00 C ATOM 921 OD1 ASP A 59 11.459 9.614 3.064 1.00 0.00 O ATOM 922 OD2 ASP A 59 12.321 10.963 1.557 1.00 0.00 O ATOM 0 H ASP A 59 9.132 8.569 -0.893 1.00 0.00 H new ATOM 0 HA ASP A 59 11.813 8.382 -0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.369 10.365 0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.496 9.536 1.384 1.00 0.00 H new ATOM 927 N SER A 60 9.788 6.805 1.858 1.00 0.00 N ATOM 928 CA SER A 60 9.747 5.779 2.875 1.00 0.00 C ATOM 929 C SER A 60 10.533 4.566 2.400 1.00 0.00 C ATOM 930 O SER A 60 11.476 4.136 3.055 1.00 0.00 O ATOM 931 CB SER A 60 8.299 5.400 3.192 1.00 0.00 C ATOM 932 OG SER A 60 7.840 4.359 2.348 1.00 0.00 O ATOM 0 H SER A 60 8.875 7.161 1.574 1.00 0.00 H new ATOM 0 HA SER A 60 10.201 6.158 3.790 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.223 5.086 4.233 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.659 6.274 3.075 1.00 0.00 H new ATOM 0 HG SER A 60 7.634 4.723 1.462 1.00 0.00 H new ATOM 938 N PHE A 61 10.162 4.046 1.234 1.00 0.00 N ATOM 939 CA PHE A 61 10.833 2.887 0.662 1.00 0.00 C ATOM 940 C PHE A 61 12.331 3.112 0.576 1.00 0.00 C ATOM 941 O PHE A 61 13.116 2.185 0.773 1.00 0.00 O ATOM 942 CB PHE A 61 10.276 2.584 -0.730 1.00 0.00 C ATOM 943 CG PHE A 61 8.778 2.461 -0.753 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.099 1.916 0.326 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.051 2.894 -1.848 1.00 0.00 C ATOM 946 CE1 PHE A 61 6.724 1.806 0.314 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.674 2.785 -1.866 1.00 0.00 C ATOM 948 CZ PHE A 61 6.010 2.241 -0.784 1.00 0.00 C ATOM 0 H PHE A 61 9.397 4.412 0.666 1.00 0.00 H new ATOM 0 HA PHE A 61 10.648 2.036 1.317 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.580 3.374 -1.416 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.716 1.657 -1.097 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.654 1.573 1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.565 3.321 -2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.208 1.381 1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.117 3.125 -2.726 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.933 2.156 -0.797 1.00 0.00 H new ATOM 958 N GLN A 62 12.728 4.347 0.289 1.00 0.00 N ATOM 959 CA GLN A 62 14.138 4.674 0.177 1.00 0.00 C ATOM 960 C GLN A 62 14.808 4.585 1.535 1.00 0.00 C ATOM 961 O GLN A 62 15.973 4.218 1.641 1.00 0.00 O ATOM 962 CB GLN A 62 14.313 6.077 -0.401 1.00 0.00 C ATOM 963 CG GLN A 62 13.655 6.260 -1.755 1.00 0.00 C ATOM 964 CD GLN A 62 14.659 6.363 -2.887 1.00 0.00 C ATOM 965 OE1 GLN A 62 15.746 5.788 -2.822 1.00 0.00 O ATOM 966 NE2 GLN A 62 14.297 7.096 -3.933 1.00 0.00 N ATOM 0 H GLN A 62 12.095 5.131 0.131 1.00 0.00 H new ATOM 0 HA GLN A 62 14.608 3.956 -0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.897 6.803 0.297 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.377 6.294 -0.491 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.985 5.421 -1.945 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.041 7.160 -1.737 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.386 7.555 -3.944 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.930 7.200 -4.726 1.00 0.00 H new ATOM 975 N GLN A 63 14.053 4.910 2.575 1.00 0.00 N ATOM 976 CA GLN A 63 14.569 4.886 3.931 1.00 0.00 C ATOM 977 C GLN A 63 14.635 3.465 4.498 1.00 0.00 C ATOM 978 O GLN A 63 15.612 3.101 5.151 1.00 0.00 O ATOM 979 CB GLN A 63 13.694 5.766 4.804 1.00 0.00 C ATOM 980 CG GLN A 63 13.704 7.230 4.387 1.00 0.00 C ATOM 981 CD GLN A 63 15.079 7.859 4.507 1.00 0.00 C ATOM 982 OE1 GLN A 63 15.868 7.839 3.562 1.00 0.00 O ATOM 983 NE2 GLN A 63 15.372 8.422 5.674 1.00 0.00 N ATOM 0 H GLN A 63 13.076 5.194 2.502 1.00 0.00 H new ATOM 0 HA GLN A 63 15.590 5.267 3.918 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.670 5.394 4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.030 5.688 5.838 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.359 7.313 3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.999 7.785 5.005 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.687 8.415 6.430 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.282 8.861 5.814 1.00 0.00 H new ATOM 992 N VAL A 64 13.597 2.668 4.254 1.00 0.00 N ATOM 993 CA VAL A 64 13.562 1.289 4.753 1.00 0.00 C ATOM 994 C VAL A 64 14.674 0.476 4.127 1.00 0.00 C ATOM 995 O VAL A 64 15.272 -0.386 4.765 1.00 0.00 O ATOM 996 CB VAL A 64 12.206 0.570 4.474 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.134 1.554 4.060 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.349 -0.521 3.415 1.00 0.00 C ATOM 0 H VAL A 64 12.774 2.947 3.719 1.00 0.00 H new ATOM 0 HA VAL A 64 13.690 1.356 5.833 1.00 0.00 H new ATOM 0 HB VAL A 64 11.904 0.099 5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.202 1.020 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.981 2.282 4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.445 2.070 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.382 -0.997 3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.700 -0.079 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.067 -1.267 3.756 1.00 0.00 H new ATOM 1008 N VAL A 65 14.929 0.764 2.869 1.00 0.00 N ATOM 1009 CA VAL A 65 15.944 0.067 2.113 1.00 0.00 C ATOM 1010 C VAL A 65 17.332 0.622 2.421 1.00 0.00 C ATOM 1011 O VAL A 65 18.332 -0.089 2.327 1.00 0.00 O ATOM 1012 CB VAL A 65 15.638 0.169 0.613 1.00 0.00 C ATOM 1013 CG1 VAL A 65 15.935 1.566 0.093 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.396 -0.885 -0.164 1.00 0.00 C ATOM 0 H VAL A 65 14.439 1.487 2.343 1.00 0.00 H new ATOM 0 HA VAL A 65 15.935 -0.983 2.404 1.00 0.00 H new ATOM 0 HB VAL A 65 14.574 -0.016 0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.710 1.613 -0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.320 2.291 0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.988 1.797 0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.163 -0.793 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.467 -0.747 -0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.105 -1.875 0.187 1.00 0.00 H new ATOM 1024 N LYS A 66 17.386 1.900 2.781 1.00 0.00 N ATOM 1025 CA LYS A 66 18.646 2.541 3.136 1.00 0.00 C ATOM 1026 C LYS A 66 19.139 1.997 4.461 1.00 0.00 C ATOM 1027 O LYS A 66 20.327 1.728 4.645 1.00 0.00 O ATOM 1028 CB LYS A 66 18.461 4.052 3.251 1.00 0.00 C ATOM 1029 CG LYS A 66 18.727 4.795 1.955 1.00 0.00 C ATOM 1030 CD LYS A 66 18.422 6.280 2.082 1.00 0.00 C ATOM 1031 CE LYS A 66 19.346 6.961 3.081 1.00 0.00 C ATOM 1032 NZ LYS A 66 19.079 8.422 3.180 1.00 0.00 N ATOM 0 H LYS A 66 16.572 2.512 2.834 1.00 0.00 H new ATOM 0 HA LYS A 66 19.376 2.330 2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.443 4.261 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.129 4.434 4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.770 4.661 1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.119 4.366 1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.525 6.757 1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.386 6.413 2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.221 6.502 4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.382 6.801 2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.579 8.811 4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.414 8.895 2.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.057 8.582 3.288 1.00 0.00 H new ATOM 1046 N LEU A 67 18.200 1.840 5.380 1.00 0.00 N ATOM 1047 CA LEU A 67 18.491 1.331 6.706 1.00 0.00 C ATOM 1048 C LEU A 67 18.229 -0.167 6.745 1.00 0.00 C ATOM 1049 O LEU A 67 18.403 -0.822 7.772 1.00 0.00 O ATOM 1050 CB LEU A 67 17.616 2.069 7.713 1.00 0.00 C ATOM 1051 CG LEU A 67 17.574 3.587 7.514 1.00 0.00 C ATOM 1052 CD1 LEU A 67 16.610 4.230 8.499 1.00 0.00 C ATOM 1053 CD2 LEU A 67 18.967 4.180 7.660 1.00 0.00 C ATOM 0 H LEU A 67 17.216 2.062 5.226 1.00 0.00 H new ATOM 0 HA LEU A 67 19.538 1.496 6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.601 1.677 7.651 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.979 1.855 8.718 1.00 0.00 H new ATOM 0 HG LEU A 67 17.217 3.793 6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 67 16.594 5.308 8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.609 3.826 8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 67 16.934 4.017 9.518 1.00 0.00 H new ATOM 0 HD21 LEU A 67 18.920 5.259 7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.352 3.964 8.657 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.629 3.743 6.912 1.00 0.00 H new ATOM 1065 N LYS A 68 17.817 -0.680 5.589 1.00 0.00 N ATOM 1066 CA LYS A 68 17.510 -2.096 5.390 1.00 0.00 C ATOM 1067 C LYS A 68 16.935 -2.752 6.636 1.00 0.00 C ATOM 1068 O LYS A 68 17.662 -3.272 7.484 1.00 0.00 O ATOM 1069 CB LYS A 68 18.737 -2.857 4.915 1.00 0.00 C ATOM 1070 CG LYS A 68 18.431 -3.825 3.783 1.00 0.00 C ATOM 1071 CD LYS A 68 18.332 -3.107 2.449 1.00 0.00 C ATOM 1072 CE LYS A 68 17.462 -3.879 1.471 1.00 0.00 C ATOM 1073 NZ LYS A 68 17.940 -5.276 1.284 1.00 0.00 N ATOM 0 H LYS A 68 17.684 -0.116 4.750 1.00 0.00 H new ATOM 0 HA LYS A 68 16.742 -2.140 4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.494 -2.146 4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.163 -3.409 5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.211 -4.585 3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.494 -4.343 3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.917 -2.110 2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.329 -2.977 2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.434 -3.893 1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.455 -3.366 0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.922 -5.517 0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.913 -5.361 1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.320 -5.928 1.806 1.00 0.00 H new ATOM 1087 N GLY A 69 15.618 -2.726 6.716 1.00 0.00 N ATOM 1088 CA GLY A 69 14.911 -3.319 7.833 1.00 0.00 C ATOM 1089 C GLY A 69 14.125 -2.295 8.617 1.00 0.00 C ATOM 1090 O GLY A 69 13.004 -2.562 9.052 1.00 0.00 O ATOM 0 H GLY A 69 15.014 -2.297 6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.234 -4.090 7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.625 -3.810 8.494 1.00 0.00 H new ATOM 1094 N GLN A 70 14.715 -1.119 8.803 1.00 0.00 N ATOM 1095 CA GLN A 70 14.053 -0.044 9.523 1.00 0.00 C ATOM 1096 C GLN A 70 12.718 0.265 8.861 1.00 0.00 C ATOM 1097 O GLN A 70 12.667 0.592 7.675 1.00 0.00 O ATOM 1098 CB GLN A 70 14.937 1.200 9.535 1.00 0.00 C ATOM 1099 CG GLN A 70 14.573 2.205 10.614 1.00 0.00 C ATOM 1100 CD GLN A 70 14.644 1.620 12.011 1.00 0.00 C ATOM 1101 OE1 GLN A 70 15.544 0.662 12.211 1.00 0.00 O flip ATOM 1102 NE2 GLN A 70 13.901 2.025 12.905 1.00 0.00 N flip ATOM 0 H GLN A 70 15.649 -0.889 8.465 1.00 0.00 H new ATOM 0 HA GLN A 70 13.877 -0.355 10.553 1.00 0.00 H new ATOM 0 HB2 GLN A 70 15.974 0.895 9.672 1.00 0.00 H new ATOM 0 HB3 GLN A 70 14.874 1.688 8.562 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.245 3.060 10.549 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.565 2.577 10.432 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.224 2.762 12.710 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.963 1.623 13.841 1.00 0.00 H new ATOM 1111 N VAL A 71 11.640 0.158 9.623 1.00 0.00 N ATOM 1112 CA VAL A 71 10.312 0.399 9.085 1.00 0.00 C ATOM 1113 C VAL A 71 9.982 1.887 9.010 1.00 0.00 C ATOM 1114 O VAL A 71 10.355 2.677 9.877 1.00 0.00 O ATOM 1115 CB VAL A 71 9.231 -0.345 9.893 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.937 0.368 11.203 1.00 0.00 C ATOM 1117 CG2 VAL A 71 7.969 -0.514 9.058 1.00 0.00 C ATOM 0 H VAL A 71 11.659 -0.093 10.611 1.00 0.00 H new ATOM 0 HA VAL A 71 10.316 0.006 8.068 1.00 0.00 H new ATOM 0 HB VAL A 71 9.609 -1.337 10.142 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.171 -0.180 11.751 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.846 0.418 11.802 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.583 1.378 10.996 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.214 -1.041 9.642 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.588 0.466 8.773 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.200 -1.088 8.161 1.00 0.00 H new ATOM 1127 N LEU A 72 9.277 2.240 7.944 1.00 0.00 N ATOM 1128 CA LEU A 72 8.875 3.605 7.666 1.00 0.00 C ATOM 1129 C LEU A 72 7.365 3.759 7.779 1.00 0.00 C ATOM 1130 O LEU A 72 6.614 2.812 7.538 1.00 0.00 O ATOM 1131 CB LEU A 72 9.305 3.968 6.246 1.00 0.00 C ATOM 1132 CG LEU A 72 10.736 4.473 6.078 1.00 0.00 C ATOM 1133 CD1 LEU A 72 10.818 5.938 6.447 1.00 0.00 C ATOM 1134 CD2 LEU A 72 11.713 3.651 6.907 1.00 0.00 C ATOM 0 H LEU A 72 8.965 1.572 7.239 1.00 0.00 H new ATOM 0 HA LEU A 72 9.349 4.265 8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.177 3.089 5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.626 4.733 5.869 1.00 0.00 H new ATOM 0 HG LEU A 72 11.017 4.359 5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.843 6.288 6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.158 6.514 5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.513 6.069 7.485 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.723 4.035 6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.443 3.719 7.961 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.673 2.609 6.589 1.00 0.00 H new ATOM 1146 N SER A 73 6.928 4.960 8.134 1.00 0.00 N ATOM 1147 CA SER A 73 5.509 5.246 8.254 1.00 0.00 C ATOM 1148 C SER A 73 5.172 6.526 7.515 1.00 0.00 C ATOM 1149 O SER A 73 5.606 7.613 7.897 1.00 0.00 O ATOM 1150 CB SER A 73 5.099 5.375 9.715 1.00 0.00 C ATOM 1151 OG SER A 73 3.705 5.170 9.876 1.00 0.00 O ATOM 0 H SER A 73 7.538 5.750 8.343 1.00 0.00 H new ATOM 0 HA SER A 73 4.958 4.415 7.812 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.648 4.649 10.315 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.369 6.364 10.085 1.00 0.00 H new ATOM 0 HG SER A 73 3.469 5.257 10.823 1.00 0.00 H new ATOM 1157 N VAL A 74 4.397 6.389 6.454 1.00 0.00 N ATOM 1158 CA VAL A 74 4.007 7.547 5.649 1.00 0.00 C ATOM 1159 C VAL A 74 2.535 7.493 5.274 1.00 0.00 C ATOM 1160 O VAL A 74 2.022 6.444 4.889 1.00 0.00 O ATOM 1161 CB VAL A 74 4.837 7.653 4.350 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.315 7.826 4.657 1.00 0.00 C ATOM 1163 CG2 VAL A 74 4.608 6.439 3.469 1.00 0.00 C ATOM 0 H VAL A 74 4.025 5.498 6.127 1.00 0.00 H new ATOM 0 HA VAL A 74 4.197 8.423 6.269 1.00 0.00 H new ATOM 0 HB VAL A 74 4.503 8.538 3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.874 7.898 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.462 8.736 5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.671 6.969 5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.201 6.533 2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.906 5.538 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.552 6.373 3.208 1.00 0.00 H new ATOM 1173 N MET A 75 1.854 8.627 5.388 1.00 0.00 N ATOM 1174 CA MET A 75 0.448 8.684 5.027 1.00 0.00 C ATOM 1175 C MET A 75 0.291 9.245 3.634 1.00 0.00 C ATOM 1176 O MET A 75 0.812 10.315 3.318 1.00 0.00 O ATOM 1177 CB MET A 75 -0.364 9.530 5.997 1.00 0.00 C ATOM 1178 CG MET A 75 -0.530 8.900 7.362 1.00 0.00 C ATOM 1179 SD MET A 75 -1.892 9.619 8.292 1.00 0.00 S ATOM 1180 CE MET A 75 -3.273 9.118 7.270 1.00 0.00 C ATOM 0 H MET A 75 2.248 9.506 5.723 1.00 0.00 H new ATOM 0 HA MET A 75 0.068 7.663 5.069 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.119 10.500 6.111 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.350 9.713 5.569 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.699 7.829 7.246 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.394 9.018 7.928 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.205 9.439 7.735 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.182 9.576 6.285 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.274 8.033 7.166 1.00 0.00 H new ATOM 1190 N PHE A 76 -0.432 8.522 2.807 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.659 8.956 1.437 1.00 0.00 C ATOM 1192 C PHE A 76 -2.086 8.672 0.989 1.00 0.00 C ATOM 1193 O PHE A 76 -2.813 7.917 1.628 1.00 0.00 O ATOM 1194 CB PHE A 76 0.324 8.258 0.502 1.00 0.00 C ATOM 1195 CG PHE A 76 -0.039 6.831 0.228 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.239 5.838 1.149 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.669 6.487 -0.952 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -0.105 4.530 0.894 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -1.012 5.178 -1.211 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.728 4.199 -0.283 1.00 0.00 C ATOM 0 H PHE A 76 -0.872 7.635 3.053 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.502 10.034 1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.369 8.803 -0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.322 8.295 0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.730 6.091 2.077 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.895 7.252 -1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.116 3.763 1.621 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.502 4.920 -2.138 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.996 3.172 -0.482 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.472 9.284 -0.121 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.808 9.106 -0.677 1.00 0.00 C ATOM 1212 C ARG A 77 -3.800 8.040 -1.773 1.00 0.00 C ATOM 1213 O ARG A 77 -3.281 8.264 -2.866 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.316 10.439 -1.226 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.351 11.539 -0.177 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.248 12.923 -0.797 1.00 0.00 C ATOM 1217 NE ARG A 77 -5.479 13.326 -1.469 1.00 0.00 N ATOM 1218 CZ ARG A 77 -6.006 14.544 -1.366 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -5.403 15.472 -0.636 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -7.135 14.837 -1.996 1.00 0.00 N ATOM 0 H ARG A 77 -1.875 9.913 -0.659 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.478 8.768 0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.678 10.752 -2.052 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.318 10.300 -1.632 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.277 11.466 0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.531 11.395 0.526 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.007 13.649 -0.020 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.426 12.937 -1.512 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.961 12.638 -2.048 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.533 15.254 -0.151 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.810 16.404 -0.559 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.602 14.128 -2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.536 15.771 -1.915 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.375 6.880 -1.467 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.430 5.767 -2.414 1.00 0.00 C ATOM 1236 C PHE A 78 -5.698 5.810 -3.256 1.00 0.00 C ATOM 1237 O PHE A 78 -6.781 5.497 -2.762 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.397 4.426 -1.661 1.00 0.00 C ATOM 1239 CG PHE A 78 -4.067 3.239 -2.534 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.986 2.745 -3.453 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.833 2.618 -2.439 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.671 1.658 -4.252 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.516 1.535 -3.236 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.435 1.055 -4.143 1.00 0.00 C ATOM 0 H PHE A 78 -4.812 6.685 -0.566 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.563 5.859 -3.068 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.662 4.490 -0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.367 4.261 -1.192 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.955 3.213 -3.545 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.106 2.986 -1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.394 1.282 -4.961 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.548 1.065 -3.148 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.189 0.209 -4.767 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.577 6.191 -4.528 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.741 6.198 -5.399 1.00 0.00 C ATOM 1256 C ARG A 79 -7.188 4.760 -5.564 1.00 0.00 C ATOM 1257 O ARG A 79 -6.575 3.991 -6.306 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.428 6.827 -6.758 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.623 6.866 -7.701 1.00 0.00 C ATOM 1260 CD ARG A 79 -7.795 5.550 -8.434 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.614 5.693 -9.633 1.00 0.00 N ATOM 1262 CZ ARG A 79 -8.348 5.087 -10.787 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -7.288 4.297 -10.899 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -9.143 5.272 -11.833 1.00 0.00 N ATOM 0 H ARG A 79 -4.706 6.491 -4.965 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.532 6.803 -4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.064 7.843 -6.604 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.621 6.268 -7.231 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.527 7.089 -7.135 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.492 7.672 -8.423 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.816 5.158 -8.709 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.254 4.821 -7.766 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.438 6.292 -9.584 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.673 4.152 -10.098 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.088 3.834 -11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.959 5.879 -11.753 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.938 4.807 -12.718 1.00 0.00 H new ATOM 1278 N SER A 80 -8.242 4.394 -4.860 1.00 0.00 N ATOM 1279 CA SER A 80 -8.733 3.037 -4.885 1.00 0.00 C ATOM 1280 C SER A 80 -9.655 2.750 -6.062 1.00 0.00 C ATOM 1281 O SER A 80 -9.837 3.580 -6.950 1.00 0.00 O ATOM 1282 CB SER A 80 -9.429 2.744 -3.570 1.00 0.00 C ATOM 1283 OG SER A 80 -8.483 2.685 -2.520 1.00 0.00 O ATOM 0 H SER A 80 -8.775 5.025 -4.261 1.00 0.00 H new ATOM 0 HA SER A 80 -7.876 2.376 -5.017 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.168 3.518 -3.361 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.968 1.799 -3.638 1.00 0.00 H new ATOM 0 HG SER A 80 -7.954 3.510 -2.509 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.213 1.543 -6.059 1.00 0.00 N ATOM 1290 CA LYS A 81 -11.106 1.086 -7.106 1.00 0.00 C ATOM 1291 C LYS A 81 -12.323 1.999 -7.228 1.00 0.00 C ATOM 1292 O LYS A 81 -12.971 2.053 -8.274 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.536 -0.352 -6.818 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.088 -1.050 -8.032 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.240 -2.247 -8.404 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.852 -3.011 -9.554 1.00 0.00 C ATOM 1297 NZ LYS A 81 -13.119 -3.690 -9.163 1.00 0.00 N ATOM 0 H LYS A 81 -10.054 0.854 -5.324 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.576 1.118 -8.058 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.682 -0.913 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.290 -0.350 -6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.111 -1.372 -7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.127 -0.354 -8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.238 -1.916 -8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.135 -2.905 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.047 -2.327 -10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.140 -3.753 -9.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.380 -4.385 -9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.986 -4.176 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.877 -2.984 -9.071 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.624 2.719 -6.151 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.757 3.637 -6.137 1.00 0.00 C ATOM 1313 C ASN A 82 -13.362 4.998 -6.703 1.00 0.00 C ATOM 1314 O ASN A 82 -14.177 5.919 -6.760 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.297 3.793 -4.714 1.00 0.00 C ATOM 1316 CG ASN A 82 -13.194 3.804 -3.676 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -12.666 4.859 -3.324 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -12.835 2.626 -3.182 1.00 0.00 N ATOM 0 H ASN A 82 -12.099 2.684 -5.277 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.541 3.219 -6.768 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -14.867 4.719 -4.644 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.987 2.977 -4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.095 2.571 -2.482 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.299 1.776 -3.502 1.00 0.00 H new ATOM 1325 N GLN A 83 -12.100 5.110 -7.116 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.576 6.341 -7.695 1.00 0.00 C ATOM 1327 C GLN A 83 -11.595 7.478 -6.679 1.00 0.00 C ATOM 1328 O GLN A 83 -11.836 8.634 -7.027 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.384 6.724 -8.933 1.00 0.00 C ATOM 1330 CG GLN A 83 -12.682 5.544 -9.843 1.00 0.00 C ATOM 1331 CD GLN A 83 -12.321 5.817 -11.289 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -12.401 6.952 -11.758 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -11.914 4.774 -12.003 1.00 0.00 N ATOM 0 H GLN A 83 -11.418 4.354 -7.058 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.540 6.166 -7.986 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.324 7.179 -8.619 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.837 7.480 -9.496 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.130 4.672 -9.493 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -13.742 5.298 -9.777 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.863 3.850 -11.573 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.652 4.896 -12.981 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.335 7.139 -5.421 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.317 8.125 -4.350 1.00 0.00 C ATOM 1344 C GLU A 84 -9.989 8.075 -3.603 1.00 0.00 C ATOM 1345 O GLU A 84 -9.409 7.004 -3.422 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.468 7.868 -3.383 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.816 7.701 -4.067 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.954 7.528 -3.080 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -15.243 6.372 -2.703 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -15.558 8.547 -2.685 1.00 0.00 O ATOM 0 H GLU A 84 -11.133 6.186 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.434 9.116 -4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.251 6.970 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.529 8.696 -2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.012 8.572 -4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.779 6.835 -4.728 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.509 9.237 -3.170 1.00 0.00 N ATOM 1358 CA TRP A 85 -8.250 9.316 -2.445 1.00 0.00 C ATOM 1359 C TRP A 85 -8.375 8.681 -1.063 1.00 0.00 C ATOM 1360 O TRP A 85 -8.775 9.334 -0.098 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.801 10.774 -2.322 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.296 11.359 -3.604 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.690 12.523 -4.192 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.299 10.802 -4.449 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -6.995 12.719 -5.362 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -6.133 11.670 -5.542 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.535 9.649 -4.381 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.224 11.411 -6.564 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.631 9.387 -5.391 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.481 10.265 -6.472 1.00 0.00 C ATOM 0 H TRP A 85 -9.974 10.134 -3.309 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.498 8.761 -3.006 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.638 11.374 -1.964 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -7.016 10.841 -1.569 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.439 13.194 -3.797 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.103 13.514 -5.992 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.645 8.966 -3.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.109 12.088 -7.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -4.030 8.491 -5.347 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.766 10.033 -7.247 1.00 0.00 H new ATOM 1381 N LEU A 86 -8.028 7.400 -0.981 1.00 0.00 N ATOM 1382 CA LEU A 86 -8.098 6.659 0.272 1.00 0.00 C ATOM 1383 C LEU A 86 -6.852 6.878 1.115 1.00 0.00 C ATOM 1384 O LEU A 86 -5.807 6.289 0.852 1.00 0.00 O ATOM 1385 CB LEU A 86 -8.267 5.161 -0.003 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.618 4.725 -0.588 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.902 3.288 -0.193 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.743 5.634 -0.114 1.00 0.00 C ATOM 0 H LEU A 86 -7.694 6.852 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.961 7.030 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.480 4.848 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.108 4.622 0.931 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.565 4.800 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.861 2.979 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.114 2.642 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.935 3.209 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.687 5.300 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.807 5.597 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.542 6.657 -0.431 1.00 0.00 H new ATOM 1400 N TRP A 87 -6.968 7.714 2.142 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.832 7.981 3.010 1.00 0.00 C ATOM 1402 C TRP A 87 -5.389 6.706 3.697 1.00 0.00 C ATOM 1403 O TRP A 87 -6.187 6.002 4.313 1.00 0.00 O ATOM 1404 CB TRP A 87 -6.157 9.050 4.045 1.00 0.00 C ATOM 1405 CG TRP A 87 -5.824 10.430 3.574 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.695 11.352 3.069 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.524 11.043 3.541 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -6.023 12.496 2.721 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.691 12.334 3.000 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -3.235 10.631 3.915 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.625 13.211 2.819 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -2.181 11.507 3.733 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -2.381 12.781 3.189 1.00 0.00 C ATOM 0 H TRP A 87 -7.824 8.210 2.389 1.00 0.00 H new ATOM 0 HA TRP A 87 -5.019 8.356 2.389 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -7.218 9.001 4.291 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.607 8.841 4.962 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -7.759 11.202 2.959 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -6.446 13.333 2.319 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -3.070 9.650 4.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -3.775 14.196 2.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.184 11.202 4.016 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.534 13.439 3.059 1.00 0.00 H new ATOM 1424 N MET A 88 -4.109 6.423 3.577 1.00 0.00 N ATOM 1425 CA MET A 88 -3.531 5.225 4.155 1.00 0.00 C ATOM 1426 C MET A 88 -2.200 5.514 4.810 1.00 0.00 C ATOM 1427 O MET A 88 -1.543 6.507 4.513 1.00 0.00 O ATOM 1428 CB MET A 88 -3.313 4.173 3.073 1.00 0.00 C ATOM 1429 CG MET A 88 -4.550 3.862 2.270 1.00 0.00 C ATOM 1430 SD MET A 88 -5.453 2.432 2.872 1.00 0.00 S ATOM 1431 CE MET A 88 -6.731 2.344 1.628 1.00 0.00 C ATOM 0 H MET A 88 -3.442 7.012 3.079 1.00 0.00 H new ATOM 0 HA MET A 88 -4.229 4.860 4.908 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.529 4.517 2.398 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.953 3.256 3.538 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.209 4.730 2.282 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.266 3.692 1.231 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.953 1.300 1.408 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.631 2.837 1.996 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.390 2.842 0.720 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.821 4.626 5.702 1.00 0.00 N ATOM 1442 CA ARG A 89 -0.555 4.715 6.397 1.00 0.00 C ATOM 1443 C ARG A 89 0.283 3.504 6.022 1.00 0.00 C ATOM 1444 O ARG A 89 -0.140 2.367 6.234 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.773 4.742 7.906 1.00 0.00 C ATOM 1446 CG ARG A 89 -1.761 5.795 8.360 1.00 0.00 C ATOM 1447 CD ARG A 89 -1.274 6.485 9.618 1.00 0.00 C ATOM 1448 NE ARG A 89 -1.162 5.558 10.742 1.00 0.00 N ATOM 1449 CZ ARG A 89 -0.885 5.936 11.987 1.00 0.00 C ATOM 1450 NH1 ARG A 89 -0.705 7.219 12.271 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -0.791 5.030 12.950 1.00 0.00 N ATOM 0 H ARG A 89 -2.384 3.818 5.967 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.045 5.634 6.110 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.125 3.763 8.231 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.183 4.917 8.399 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.904 6.531 7.569 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.731 5.334 8.545 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.303 6.943 9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.961 7.290 9.879 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.304 4.564 10.562 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.779 7.920 11.534 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.493 7.505 13.227 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.931 4.042 12.737 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.579 5.320 13.904 1.00 0.00 H new ATOM 1465 N THR A 90 1.463 3.732 5.476 1.00 0.00 N ATOM 1466 CA THR A 90 2.304 2.623 5.047 1.00 0.00 C ATOM 1467 C THR A 90 3.341 2.224 6.076 1.00 0.00 C ATOM 1468 O THR A 90 3.974 3.077 6.704 1.00 0.00 O ATOM 1469 CB THR A 90 3.055 2.941 3.752 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.274 3.623 4.048 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.205 3.787 2.837 1.00 0.00 C ATOM 0 H THR A 90 1.859 4.659 5.319 1.00 0.00 H new ATOM 0 HA THR A 90 1.606 1.799 4.898 1.00 0.00 H new ATOM 0 HB THR A 90 3.282 2.002 3.247 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.034 3.040 3.840 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.758 4.002 1.922 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.290 3.249 2.590 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.953 4.722 3.336 1.00 0.00 H new ATOM 1479 N SER A 91 3.506 0.912 6.217 1.00 0.00 N ATOM 1480 CA SER A 91 4.496 0.331 7.106 1.00 0.00 C ATOM 1481 C SER A 91 5.535 -0.371 6.240 1.00 0.00 C ATOM 1482 O SER A 91 5.599 -1.600 6.186 1.00 0.00 O ATOM 1483 CB SER A 91 3.836 -0.655 8.072 1.00 0.00 C ATOM 1484 OG SER A 91 3.561 -0.041 9.319 1.00 0.00 O ATOM 0 H SER A 91 2.951 0.221 5.712 1.00 0.00 H new ATOM 0 HA SER A 91 4.970 1.105 7.709 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.910 -1.031 7.636 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.490 -1.514 8.222 1.00 0.00 H new ATOM 0 HG SER A 91 3.138 -0.691 9.918 1.00 0.00 H new ATOM 1490 N SER A 92 6.339 0.437 5.553 1.00 0.00 N ATOM 1491 CA SER A 92 7.346 -0.069 4.625 1.00 0.00 C ATOM 1492 C SER A 92 8.635 -0.482 5.322 1.00 0.00 C ATOM 1493 O SER A 92 9.219 0.276 6.082 1.00 0.00 O ATOM 1494 CB SER A 92 7.652 0.993 3.573 1.00 0.00 C ATOM 1495 OG SER A 92 6.525 1.820 3.342 1.00 0.00 O ATOM 0 H SER A 92 6.311 1.454 5.623 1.00 0.00 H new ATOM 0 HA SER A 92 6.932 -0.962 4.157 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.494 1.603 3.901 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.951 0.512 2.642 1.00 0.00 H new ATOM 0 HG SER A 92 6.821 2.687 2.995 1.00 0.00 H new ATOM 1501 N GLN A 93 9.070 -1.694 5.039 1.00 0.00 N ATOM 1502 CA GLN A 93 10.297 -2.230 5.600 1.00 0.00 C ATOM 1503 C GLN A 93 10.705 -3.469 4.827 1.00 0.00 C ATOM 1504 O GLN A 93 9.851 -4.242 4.409 1.00 0.00 O ATOM 1505 CB GLN A 93 10.121 -2.560 7.075 1.00 0.00 C ATOM 1506 CG GLN A 93 9.062 -3.612 7.347 1.00 0.00 C ATOM 1507 CD GLN A 93 8.983 -3.965 8.814 1.00 0.00 C ATOM 1508 OE1 GLN A 93 10.101 -3.808 9.505 1.00 0.00 O flip ATOM 1509 NE2 GLN A 93 7.934 -4.367 9.318 1.00 0.00 N flip ATOM 0 H GLN A 93 8.583 -2.336 4.413 1.00 0.00 H new ATOM 0 HA GLN A 93 11.081 -1.477 5.517 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.074 -2.905 7.476 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.860 -1.648 7.613 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.092 -3.247 7.009 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.284 -4.509 6.769 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.099 -4.471 8.742 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.900 -4.596 10.311 1.00 0.00 H new ATOM 1518 N THR A 94 12.006 -3.660 4.654 1.00 0.00 N ATOM 1519 CA THR A 94 12.514 -4.798 3.898 1.00 0.00 C ATOM 1520 C THR A 94 11.729 -6.063 4.210 1.00 0.00 C ATOM 1521 O THR A 94 11.710 -6.539 5.345 1.00 0.00 O ATOM 1522 CB THR A 94 14.006 -5.013 4.176 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.188 -5.627 5.457 1.00 0.00 O ATOM 1524 CG2 THR A 94 14.730 -3.678 4.139 1.00 0.00 C ATOM 0 H THR A 94 12.728 -3.043 5.026 1.00 0.00 H new ATOM 0 HA THR A 94 12.387 -4.574 2.839 1.00 0.00 H new ATOM 0 HB THR A 94 14.417 -5.670 3.410 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.314 -5.849 5.840 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.791 -3.834 4.337 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.607 -3.225 3.155 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.312 -3.017 4.898 1.00 0.00 H new ATOM 1532 N ALA A 95 11.072 -6.588 3.179 1.00 0.00 N ATOM 1533 CA ALA A 95 10.243 -7.780 3.301 1.00 0.00 C ATOM 1534 C ALA A 95 10.963 -8.943 3.965 1.00 0.00 C ATOM 1535 O ALA A 95 12.143 -8.863 4.305 1.00 0.00 O ATOM 1536 CB ALA A 95 9.713 -8.194 1.946 1.00 0.00 C ATOM 0 H ALA A 95 11.100 -6.198 2.237 1.00 0.00 H new ATOM 0 HA ALA A 95 9.411 -7.515 3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.096 -9.086 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.113 -7.386 1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.548 -8.409 1.279 1.00 0.00 H new ATOM 1542 N GLN A 96 10.227 -10.035 4.124 1.00 0.00 N ATOM 1543 CA GLN A 96 10.728 -11.224 4.779 1.00 0.00 C ATOM 1544 C GLN A 96 10.850 -12.418 3.831 1.00 0.00 C ATOM 1545 O GLN A 96 10.295 -13.484 4.102 1.00 0.00 O ATOM 1546 CB GLN A 96 9.770 -11.557 5.899 1.00 0.00 C ATOM 1547 CG GLN A 96 9.379 -10.344 6.724 1.00 0.00 C ATOM 1548 CD GLN A 96 8.576 -10.708 7.955 1.00 0.00 C ATOM 1549 OE1 GLN A 96 8.843 -11.886 8.506 1.00 0.00 O flip ATOM 1550 NE2 GLN A 96 7.728 -9.939 8.409 1.00 0.00 N flip ATOM 0 H GLN A 96 9.263 -10.116 3.799 1.00 0.00 H new ATOM 0 HA GLN A 96 11.734 -11.024 5.149 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.871 -12.009 5.479 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.227 -12.302 6.551 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.280 -9.811 7.028 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.797 -9.661 6.105 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.556 -9.043 7.953 1.00 0.00 H new ATOM 0 HE22 GLN A 96 7.198 -10.198 9.241 1.00 0.00 H new ATOM 1559 N ASN A 97 11.579 -12.241 2.731 1.00 0.00 N ATOM 1560 CA ASN A 97 11.780 -13.316 1.756 1.00 0.00 C ATOM 1561 C ASN A 97 10.456 -13.764 1.125 1.00 0.00 C ATOM 1562 O ASN A 97 9.422 -13.794 1.792 1.00 0.00 O ATOM 1563 CB ASN A 97 12.479 -14.508 2.424 1.00 0.00 C ATOM 1564 CG ASN A 97 12.347 -15.794 1.631 1.00 0.00 C ATOM 1565 OD1 ASN A 97 11.369 -16.528 1.774 1.00 0.00 O ATOM 1566 ND2 ASN A 97 13.339 -16.080 0.795 1.00 0.00 N ATOM 0 H ASN A 97 12.041 -11.364 2.491 1.00 0.00 H new ATOM 0 HA ASN A 97 12.412 -12.928 0.957 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.536 -14.275 2.555 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.060 -14.657 3.419 1.00 0.00 H new ATOM 0 HD21 ASN A 97 13.308 -16.936 0.241 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.131 -15.444 0.707 1.00 0.00 H new ATOM 1573 N PRO A 98 10.462 -14.118 -0.180 1.00 0.00 N ATOM 1574 CA PRO A 98 11.660 -14.104 -1.027 1.00 0.00 C ATOM 1575 C PRO A 98 12.065 -12.684 -1.392 1.00 0.00 C ATOM 1576 O PRO A 98 13.134 -12.446 -1.952 1.00 0.00 O ATOM 1577 CB PRO A 98 11.199 -14.867 -2.266 1.00 0.00 C ATOM 1578 CG PRO A 98 9.752 -14.575 -2.355 1.00 0.00 C ATOM 1579 CD PRO A 98 9.273 -14.544 -0.941 1.00 0.00 C ATOM 0 HA PRO A 98 12.533 -14.539 -0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.728 -14.534 -3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 98 11.384 -15.937 -2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 98 9.572 -13.622 -2.853 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.230 -15.339 -2.931 1.00 0.00 H new ATOM 0 HD2 PRO A 98 8.445 -13.847 -0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.919 -15.522 -0.616 1.00 0.00 H new ATOM 1587 N TYR A 99 11.186 -11.753 -1.058 1.00 0.00 N ATOM 1588 CA TYR A 99 11.396 -10.347 -1.320 1.00 0.00 C ATOM 1589 C TYR A 99 12.165 -9.700 -0.171 1.00 0.00 C ATOM 1590 O TYR A 99 11.917 -8.555 0.189 1.00 0.00 O ATOM 1591 CB TYR A 99 10.031 -9.694 -1.508 1.00 0.00 C ATOM 1592 CG TYR A 99 9.051 -10.599 -2.218 1.00 0.00 C ATOM 1593 CD1 TYR A 99 9.117 -10.766 -3.592 1.00 0.00 C ATOM 1594 CD2 TYR A 99 8.077 -11.299 -1.518 1.00 0.00 C ATOM 1595 CE1 TYR A 99 8.237 -11.601 -4.255 1.00 0.00 C ATOM 1596 CE2 TYR A 99 7.194 -12.138 -2.172 1.00 0.00 C ATOM 1597 CZ TYR A 99 7.277 -12.284 -3.541 1.00 0.00 C ATOM 1598 OH TYR A 99 6.401 -13.118 -4.196 1.00 0.00 O ATOM 0 H TYR A 99 10.301 -11.958 -0.594 1.00 0.00 H new ATOM 0 HA TYR A 99 11.993 -10.213 -2.222 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.626 -9.418 -0.534 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.148 -8.772 -2.078 1.00 0.00 H new ATOM 0 HD1 TYR A 99 9.870 -10.234 -4.155 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.008 -11.186 -0.446 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.302 -11.717 -5.327 1.00 0.00 H new ATOM 0 HE2 TYR A 99 6.443 -12.677 -1.614 1.00 0.00 H new ATOM 0 HH TYR A 99 5.789 -13.524 -3.547 1.00 0.00 H new ATOM 1608 N SER A 100 13.101 -10.448 0.406 1.00 0.00 N ATOM 1609 CA SER A 100 13.901 -9.942 1.516 1.00 0.00 C ATOM 1610 C SER A 100 14.611 -8.651 1.126 1.00 0.00 C ATOM 1611 O SER A 100 14.663 -7.699 1.905 1.00 0.00 O ATOM 1612 CB SER A 100 14.925 -10.990 1.959 1.00 0.00 C ATOM 1613 OG SER A 100 15.661 -10.539 3.082 1.00 0.00 O ATOM 0 H SER A 100 13.323 -11.403 0.125 1.00 0.00 H new ATOM 0 HA SER A 100 13.230 -9.731 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 100 14.414 -11.921 2.205 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.607 -11.208 1.137 1.00 0.00 H new ATOM 0 HG SER A 100 16.307 -11.226 3.347 1.00 0.00 H new ATOM 1619 N ASP A 101 15.155 -8.624 -0.086 1.00 0.00 N ATOM 1620 CA ASP A 101 15.850 -7.444 -0.586 1.00 0.00 C ATOM 1621 C ASP A 101 14.845 -6.418 -1.096 1.00 0.00 C ATOM 1622 O ASP A 101 15.218 -5.388 -1.659 1.00 0.00 O ATOM 1623 CB ASP A 101 16.820 -7.831 -1.705 1.00 0.00 C ATOM 1624 CG ASP A 101 17.875 -8.817 -1.241 1.00 0.00 C ATOM 1625 OD1 ASP A 101 17.602 -10.035 -1.266 1.00 0.00 O ATOM 1626 OD2 ASP A 101 18.974 -8.370 -0.851 1.00 0.00 O ATOM 0 H ASP A 101 15.128 -9.406 -0.740 1.00 0.00 H new ATOM 0 HA ASP A 101 16.419 -7.003 0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 101 16.260 -8.265 -2.533 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.308 -6.934 -2.086 1.00 0.00 H new ATOM 1631 N GLU A 102 13.566 -6.714 -0.890 1.00 0.00 N ATOM 1632 CA GLU A 102 12.488 -5.834 -1.322 1.00 0.00 C ATOM 1633 C GLU A 102 11.968 -4.995 -0.169 1.00 0.00 C ATOM 1634 O GLU A 102 12.709 -4.666 0.757 1.00 0.00 O ATOM 1635 CB GLU A 102 11.346 -6.649 -1.917 1.00 0.00 C ATOM 1636 CG GLU A 102 11.707 -7.314 -3.225 1.00 0.00 C ATOM 1637 CD GLU A 102 10.509 -7.531 -4.123 1.00 0.00 C ATOM 1638 OE1 GLU A 102 9.488 -6.843 -3.920 1.00 0.00 O ATOM 1639 OE2 GLU A 102 10.593 -8.383 -5.030 1.00 0.00 O ATOM 0 H GLU A 102 13.250 -7.564 -0.423 1.00 0.00 H new ATOM 0 HA GLU A 102 12.890 -5.165 -2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.041 -7.412 -1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.486 -5.997 -2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.441 -6.701 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.181 -8.274 -3.021 1.00 0.00 H new ATOM 1646 N ILE A 103 10.683 -4.650 -0.230 1.00 0.00 N ATOM 1647 CA ILE A 103 10.070 -3.822 0.806 1.00 0.00 C ATOM 1648 C ILE A 103 8.607 -4.168 1.063 1.00 0.00 C ATOM 1649 O ILE A 103 7.732 -3.901 0.238 1.00 0.00 O ATOM 1650 CB ILE A 103 10.161 -2.323 0.438 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.621 -1.916 0.212 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.501 -1.451 1.507 1.00 0.00 C ATOM 1653 CD1 ILE A 103 11.798 -0.542 -0.396 1.00 0.00 C ATOM 0 H ILE A 103 10.050 -4.929 -0.980 1.00 0.00 H new ATOM 0 HA ILE A 103 10.632 -4.028 1.717 1.00 0.00 H new ATOM 0 HB ILE A 103 9.616 -2.165 -0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.147 -1.949 1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.094 -2.652 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.581 -0.402 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.450 -1.723 1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.002 -1.605 2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 103 12.861 -0.334 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.304 -0.507 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.357 0.207 0.262 1.00 0.00 H new ATOM 1665 N GLU A 104 8.360 -4.767 2.223 1.00 0.00 N ATOM 1666 CA GLU A 104 7.020 -5.113 2.656 1.00 0.00 C ATOM 1667 C GLU A 104 6.334 -3.864 3.193 1.00 0.00 C ATOM 1668 O GLU A 104 6.738 -3.320 4.220 1.00 0.00 O ATOM 1669 CB GLU A 104 7.095 -6.164 3.754 1.00 0.00 C ATOM 1670 CG GLU A 104 5.797 -6.915 3.964 1.00 0.00 C ATOM 1671 CD GLU A 104 5.882 -7.930 5.088 1.00 0.00 C ATOM 1672 OE1 GLU A 104 5.669 -7.541 6.256 1.00 0.00 O ATOM 1673 OE2 GLU A 104 6.161 -9.112 4.800 1.00 0.00 O ATOM 0 H GLU A 104 9.089 -5.025 2.888 1.00 0.00 H new ATOM 0 HA GLU A 104 6.453 -5.512 1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.882 -6.877 3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.381 -5.681 4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.001 -6.203 4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.523 -7.424 3.040 1.00 0.00 H new ATOM 1680 N THR A 105 5.301 -3.416 2.501 1.00 0.00 N ATOM 1681 CA THR A 105 4.589 -2.215 2.901 1.00 0.00 C ATOM 1682 C THR A 105 3.145 -2.513 3.288 1.00 0.00 C ATOM 1683 O THR A 105 2.333 -2.905 2.450 1.00 0.00 O ATOM 1684 CB THR A 105 4.633 -1.179 1.765 1.00 0.00 C ATOM 1685 OG1 THR A 105 5.953 -0.641 1.674 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.639 -0.050 1.984 1.00 0.00 C ATOM 0 H THR A 105 4.937 -3.865 1.661 1.00 0.00 H new ATOM 0 HA THR A 105 5.086 -1.810 3.783 1.00 0.00 H new ATOM 0 HB THR A 105 4.360 -1.684 0.838 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.110 -0.311 0.765 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.705 0.658 1.158 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.630 -0.458 2.033 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.869 0.461 2.919 1.00 0.00 H new ATOM 1694 N ILE A 106 2.835 -2.326 4.570 1.00 0.00 N ATOM 1695 CA ILE A 106 1.484 -2.562 5.067 1.00 0.00 C ATOM 1696 C ILE A 106 0.646 -1.298 4.970 1.00 0.00 C ATOM 1697 O ILE A 106 0.770 -0.393 5.796 1.00 0.00 O ATOM 1698 CB ILE A 106 1.470 -3.056 6.530 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.139 -4.427 6.641 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.036 -3.115 7.053 1.00 0.00 C ATOM 1701 CD1 ILE A 106 3.649 -4.382 6.536 1.00 0.00 C ATOM 0 H ILE A 106 3.498 -2.013 5.279 1.00 0.00 H new ATOM 0 HA ILE A 106 1.060 -3.344 4.437 1.00 0.00 H new ATOM 0 HB ILE A 106 2.034 -2.351 7.140 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.864 -4.879 7.594 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.749 -5.076 5.857 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.039 -3.465 8.085 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.409 -2.121 7.008 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.547 -3.802 6.439 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.050 -5.392 6.624 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.934 -3.961 5.572 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.051 -3.761 7.337 1.00 0.00 H new ATOM 1713 N ILE A 107 -0.200 -1.240 3.955 1.00 0.00 N ATOM 1714 CA ILE A 107 -1.060 -0.089 3.751 1.00 0.00 C ATOM 1715 C ILE A 107 -2.320 -0.179 4.612 1.00 0.00 C ATOM 1716 O ILE A 107 -3.207 -0.987 4.344 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.455 0.038 2.277 1.00 0.00 C ATOM 1718 CG1 ILE A 107 -0.197 0.206 1.430 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.399 1.212 2.090 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.454 0.098 -0.051 1.00 0.00 C ATOM 0 H ILE A 107 -0.309 -1.978 3.259 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.497 0.796 4.049 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.974 -0.865 1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.249 1.177 1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.532 -0.551 1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.674 1.294 1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.296 1.056 2.689 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.905 2.130 2.408 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.483 0.227 -0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.872 -0.883 -0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.159 0.872 -0.355 1.00 0.00 H new ATOM 1732 N CYS A 108 -2.396 0.664 5.639 1.00 0.00 N ATOM 1733 CA CYS A 108 -3.539 0.666 6.550 1.00 0.00 C ATOM 1734 C CYS A 108 -4.467 1.852 6.290 1.00 0.00 C ATOM 1735 O CYS A 108 -4.022 2.993 6.202 1.00 0.00 O ATOM 1736 CB CYS A 108 -3.049 0.700 7.997 1.00 0.00 C ATOM 1737 SG CYS A 108 -4.350 1.005 9.216 1.00 0.00 S ATOM 0 H CYS A 108 -1.680 1.355 5.862 1.00 0.00 H new ATOM 0 HA CYS A 108 -4.107 -0.248 6.374 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -2.567 -0.250 8.227 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.289 1.475 8.093 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.433 0.379 8.861 1.00 0.00 H new ATOM 1743 N THR A 109 -5.762 1.571 6.176 1.00 0.00 N ATOM 1744 CA THR A 109 -6.758 2.612 5.936 1.00 0.00 C ATOM 1745 C THR A 109 -6.805 3.603 7.093 1.00 0.00 C ATOM 1746 O THR A 109 -6.689 3.218 8.257 1.00 0.00 O ATOM 1747 CB THR A 109 -8.161 2.010 5.752 1.00 0.00 C ATOM 1748 OG1 THR A 109 -8.507 1.213 6.890 1.00 0.00 O ATOM 1749 CG2 THR A 109 -8.222 1.161 4.495 1.00 0.00 C ATOM 0 H THR A 109 -6.147 0.629 6.246 1.00 0.00 H new ATOM 0 HA THR A 109 -6.461 3.128 5.023 1.00 0.00 H new ATOM 0 HB THR A 109 -8.874 2.829 5.654 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.402 0.835 6.765 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.224 0.745 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.988 1.778 3.627 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.498 0.349 4.569 1.00 0.00 H new ATOM 1757 N ASN A 110 -6.980 4.879 6.769 1.00 0.00 N ATOM 1758 CA ASN A 110 -7.050 5.921 7.787 1.00 0.00 C ATOM 1759 C ASN A 110 -8.228 6.855 7.534 1.00 0.00 C ATOM 1760 O ASN A 110 -9.274 6.731 8.172 1.00 0.00 O ATOM 1761 CB ASN A 110 -5.749 6.726 7.823 1.00 0.00 C ATOM 1762 CG ASN A 110 -5.590 7.495 9.121 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -6.567 7.977 9.694 1.00 0.00 O ATOM 1764 ND2 ASN A 110 -4.355 7.606 9.598 1.00 0.00 N ATOM 0 H ASN A 110 -7.076 5.217 5.811 1.00 0.00 H new ATOM 0 HA ASN A 110 -7.194 5.434 8.752 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -4.902 6.052 7.696 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.731 7.423 6.985 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -4.189 8.106 10.471 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -3.573 7.191 9.091 1.00 0.00 H new ATOM 1771 N THR A 111 -8.048 7.792 6.604 1.00 0.00 N ATOM 1772 CA THR A 111 -9.091 8.758 6.264 1.00 0.00 C ATOM 1773 C THR A 111 -9.655 9.428 7.515 1.00 0.00 C ATOM 1774 O THR A 111 -10.781 9.928 7.510 1.00 0.00 O ATOM 1775 CB THR A 111 -10.244 8.100 5.480 1.00 0.00 C ATOM 1776 OG1 THR A 111 -10.934 7.158 6.309 1.00 0.00 O ATOM 1777 CG2 THR A 111 -9.721 7.398 4.235 1.00 0.00 C ATOM 0 H THR A 111 -7.186 7.902 6.071 1.00 0.00 H new ATOM 0 HA THR A 111 -8.622 9.512 5.632 1.00 0.00 H new ATOM 0 HB THR A 111 -10.936 8.885 5.174 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.580 7.205 7.222 1.00 0.00 H new ATOM 0 HG21 THR A 111 -10.553 6.941 3.698 1.00 0.00 H new ATOM 0 HG22 THR A 111 -9.227 8.123 3.589 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.009 6.626 4.525 1.00 0.00 H new ATOM 1785 N ASN A 112 -8.861 9.432 8.583 1.00 0.00 N ATOM 1786 CA ASN A 112 -9.268 10.036 9.849 1.00 0.00 C ATOM 1787 C ASN A 112 -10.578 9.436 10.352 1.00 0.00 C ATOM 1788 O ASN A 112 -11.121 8.511 9.748 1.00 0.00 O ATOM 1789 CB ASN A 112 -9.414 11.552 9.693 1.00 0.00 C ATOM 1790 CG ASN A 112 -8.114 12.222 9.295 1.00 0.00 C ATOM 1791 OD1 ASN A 112 -6.995 11.664 9.742 1.00 0.00 O flip ATOM 1792 ND2 ASN A 112 -8.115 13.235 8.594 1.00 0.00 N flip ATOM 0 H ASN A 112 -7.927 9.021 8.596 1.00 0.00 H new ATOM 0 HA ASN A 112 -8.491 9.825 10.584 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -10.174 11.765 8.941 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -9.766 11.978 10.632 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.998 13.631 8.272 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.233 13.677 8.336 1.00 0.00 H new ATOM 1799 N VAL A 113 -11.074 9.970 11.465 1.00 0.00 N ATOM 1800 CA VAL A 113 -12.322 9.501 12.062 1.00 0.00 C ATOM 1801 C VAL A 113 -12.234 8.028 12.458 1.00 0.00 C ATOM 1802 O VAL A 113 -11.954 7.703 13.612 1.00 0.00 O ATOM 1803 CB VAL A 113 -13.516 9.697 11.105 1.00 0.00 C ATOM 1804 CG1 VAL A 113 -14.824 9.360 11.804 1.00 0.00 C ATOM 1805 CG2 VAL A 113 -13.543 11.121 10.567 1.00 0.00 C ATOM 0 H VAL A 113 -10.628 10.733 11.975 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.482 10.101 12.958 1.00 0.00 H new ATOM 0 HB VAL A 113 -13.396 9.016 10.262 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -15.654 9.505 11.112 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -14.803 8.321 12.134 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -14.954 10.012 12.668 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -14.392 11.240 9.894 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -13.637 11.822 11.397 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.619 11.323 10.025 1.00 0.00 H new ATOM 1815 N LYS A 114 -12.471 7.141 11.495 1.00 0.00 N ATOM 1816 CA LYS A 114 -12.422 5.705 11.745 1.00 0.00 C ATOM 1817 C LYS A 114 -11.004 5.168 11.569 1.00 0.00 C ATOM 1818 O LYS A 114 -10.233 5.679 10.756 1.00 0.00 O ATOM 1819 CB LYS A 114 -13.380 4.971 10.802 1.00 0.00 C ATOM 1820 CG LYS A 114 -13.436 3.468 11.033 1.00 0.00 C ATOM 1821 CD LYS A 114 -14.099 3.123 12.359 1.00 0.00 C ATOM 1822 CE LYS A 114 -15.581 3.461 12.348 1.00 0.00 C ATOM 1823 NZ LYS A 114 -16.315 2.715 11.287 1.00 0.00 N ATOM 0 H LYS A 114 -12.699 7.393 10.533 1.00 0.00 H new ATOM 0 HA LYS A 114 -12.730 5.530 12.776 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -14.381 5.385 10.921 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -13.077 5.160 9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -13.985 2.996 10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -12.425 3.060 11.015 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -13.969 2.061 12.566 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -13.607 3.667 13.165 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -16.014 3.227 13.321 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -15.708 4.532 12.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -17.334 2.727 11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -16.145 3.165 10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -15.979 1.731 11.259 1.00 0.00 H new ATOM 1837 N ASN A 115 -10.669 4.134 12.335 1.00 0.00 N ATOM 1838 CA ASN A 115 -9.347 3.523 12.264 1.00 0.00 C ATOM 1839 C ASN A 115 -9.454 2.024 11.997 1.00 0.00 C ATOM 1840 O ASN A 115 -8.463 1.371 11.668 1.00 0.00 O ATOM 1841 CB ASN A 115 -8.575 3.768 13.563 1.00 0.00 C ATOM 1842 CG ASN A 115 -8.285 5.238 13.800 1.00 0.00 C ATOM 1843 OD1 ASN A 115 -8.103 5.991 12.721 1.00 0.00 O flip ATOM 1844 ND2 ASN A 115 -8.220 5.691 14.943 1.00 0.00 N flip ATOM 0 H ASN A 115 -11.296 3.702 13.013 1.00 0.00 H new ATOM 0 HA ASN A 115 -8.806 3.984 11.437 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -9.149 3.375 14.402 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -7.635 3.216 13.533 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -8.367 5.077 15.744 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -8.020 6.680 15.089 1.00 0.00 H new ATOM 1851 N SER A 116 -10.661 1.486 12.142 1.00 0.00 N ATOM 1852 CA SER A 116 -10.898 0.065 11.914 1.00 0.00 C ATOM 1853 C SER A 116 -11.968 -0.141 10.846 1.00 0.00 C ATOM 1854 O SER A 116 -13.095 0.332 10.985 1.00 0.00 O ATOM 1855 CB SER A 116 -11.323 -0.620 13.215 1.00 0.00 C ATOM 1856 OG SER A 116 -10.336 -0.462 14.221 1.00 0.00 O ATOM 0 H SER A 116 -11.490 2.013 12.416 1.00 0.00 H new ATOM 0 HA SER A 116 -9.967 -0.382 11.565 1.00 0.00 H new ATOM 0 HB2 SER A 116 -12.268 -0.200 13.559 1.00 0.00 H new ATOM 0 HB3 SER A 116 -11.494 -1.681 13.032 1.00 0.00 H new ATOM 0 HG SER A 116 -10.632 -0.907 15.042 1.00 0.00 H new ATOM 1862 N SER A 117 -11.601 -0.850 9.780 1.00 0.00 N ATOM 1863 CA SER A 117 -12.524 -1.123 8.681 1.00 0.00 C ATOM 1864 C SER A 117 -13.061 0.175 8.084 1.00 0.00 C ATOM 1865 O SER A 117 -14.084 0.698 8.526 1.00 0.00 O ATOM 1866 CB SER A 117 -13.684 -1.999 9.162 1.00 0.00 C ATOM 1867 OG SER A 117 -13.217 -3.254 9.625 1.00 0.00 O ATOM 0 H SER A 117 -10.669 -1.246 9.654 1.00 0.00 H new ATOM 0 HA SER A 117 -11.975 -1.657 7.905 1.00 0.00 H new ATOM 0 HB2 SER A 117 -14.221 -1.490 9.962 1.00 0.00 H new ATOM 0 HB3 SER A 117 -14.393 -2.149 8.347 1.00 0.00 H new ATOM 0 HG SER A 117 -12.375 -3.476 9.175 1.00 0.00 H new ATOM 1873 N GLN A 118 -12.362 0.688 7.076 1.00 0.00 N ATOM 1874 CA GLN A 118 -12.764 1.927 6.418 1.00 0.00 C ATOM 1875 C GLN A 118 -13.680 1.638 5.234 1.00 0.00 C ATOM 1876 O GLN A 118 -14.886 1.878 5.297 1.00 0.00 O ATOM 1877 CB GLN A 118 -11.529 2.701 5.949 1.00 0.00 C ATOM 1878 CG GLN A 118 -11.772 4.189 5.748 1.00 0.00 C ATOM 1879 CD GLN A 118 -12.785 4.481 4.657 1.00 0.00 C ATOM 1880 OE1 GLN A 118 -12.433 4.604 3.484 1.00 0.00 O ATOM 1881 NE2 GLN A 118 -14.050 4.598 5.042 1.00 0.00 N ATOM 0 H GLN A 118 -11.515 0.265 6.697 1.00 0.00 H new ATOM 0 HA GLN A 118 -13.312 2.534 7.138 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -10.731 2.569 6.679 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -11.177 2.271 5.011 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -12.119 4.625 6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -10.829 4.676 5.500 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.296 4.488 6.026 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -14.776 4.798 4.354 1.00 0.00 H new ATOM 1890 N GLU A 119 -13.101 1.120 4.154 1.00 0.00 N ATOM 1891 CA GLU A 119 -13.868 0.801 2.956 1.00 0.00 C ATOM 1892 C GLU A 119 -14.728 -0.440 3.176 1.00 0.00 C ATOM 1893 O GLU A 119 -15.907 -0.281 3.552 1.00 0.00 O ATOM 1894 CB GLU A 119 -12.928 0.588 1.767 1.00 0.00 C ATOM 1895 CG GLU A 119 -13.648 0.229 0.477 1.00 0.00 C ATOM 1896 CD GLU A 119 -12.691 -0.020 -0.673 1.00 0.00 C ATOM 1897 OE1 GLU A 119 -12.099 0.958 -1.174 1.00 0.00 O ATOM 1898 OE2 GLU A 119 -12.535 -1.194 -1.072 1.00 0.00 O ATOM 1899 OXT GLU A 119 -14.214 -1.560 2.971 1.00 0.00 O ATOM 0 H GLU A 119 -12.105 0.913 4.085 1.00 0.00 H new ATOM 0 HA GLU A 119 -14.528 1.641 2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -12.346 1.496 1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.221 -0.205 2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.255 -0.662 0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.331 1.036 0.209 1.00 0.00 H new TER 1906 GLU A 119