USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1050 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 61 LYS NZ :NH3+ 179:sc= 0.919 (180deg=0) USER MOD Set 1.2: A 90 THR OG1 : rot -110:sc= 0.799 USER MOD Set 2.1: A 30 CYS SG : rot 0:sc= -0.169! USER MOD Set 2.2: A 41 THR OG1 : rot -10:sc= 1.26 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 105:sc= 1.27 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 1.92 (180deg=1.69) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 86:sc= 1.21 USER MOD Single : A 26 TYR OH : rot -174:sc= 1.1 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 176:sc= -3.07! (180deg=-3.25) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= 1.32 (180deg=1.17) USER MOD Single : A 47 SER OG : rot 92:sc= 1.23 USER MOD Single : A 49 ASN : amide:sc= 1.01 K(o=1,f=-3.8!) USER MOD Single : A 50 TYR OH : rot -99:sc= 1.33 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= 2.39 (180deg=2.18) USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= 0.185 (180deg=-0.229) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0264 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -150:sc= -0.948 USER MOD Single : A 64 TYR OH : rot 10:sc= 1.09 USER MOD Single : A 71 TYR OH : rot 154:sc= 0.112 USER MOD Single : A 72 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.44) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 80 LYS NZ :NH3+ 151:sc= 1.27 (180deg=1.06) USER MOD Single : A 85 GLN : amide:sc= -2.91! X(o=-2.9!,f=-2.9) USER MOD Single : A 96 LYS NZ :NH3+ -132:sc= 1.11 (180deg=0.291) USER MOD Single : A 97 MET CE :methyl -140:sc= -0.197 (180deg=-0.777) USER MOD Single : A 98 MET CE :methyl -147:sc= -0.253 (180deg=-1.53) USER MOD Single : A 99 TYR OH : rot -64:sc= 0.15 USER MOD Single : A 100 SER OG : rot 76:sc= 0.0156 USER MOD Single : A 102 SER OG : rot 91:sc= 0.922 USER MOD Single : A 107 SER OG : rot -94:sc= 1.23 USER MOD Single : A 108 SER OG : rot -81:sc= 1.1 USER MOD Single : A 110 SER OG : rot -74:sc= 1.25 USER MOD Single : A 113 TYR OH : rot 110:sc= -0.187 USER MOD Single : A 117 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.16) USER MOD Single : A 119 ASN :FLIP amide:sc= -1.12 F(o=-1.8!,f=-1.1) USER MOD Single : A 122 SER OG : rot 180:sc= -0.0114 USER MOD Single : A 132 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.12) USER MOD Single : A 136 HIS :FLIP no HE2:sc= 0.302 F(o=-1,f=0.3) USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 5 -7.243 -16.841 -9.940 1.00 33.22 N ATOM 59 CA GLY A 5 -7.823 -15.957 -10.902 1.00 1.32 C ATOM 60 C GLY A 5 -8.301 -14.738 -10.195 1.00 73.02 C ATOM 61 O GLY A 5 -9.486 -14.367 -10.273 1.00 11.31 O ATOM 0 HA2 GLY A 5 -7.089 -15.691 -11.663 1.00 1.32 H new ATOM 0 HA3 GLY A 5 -8.651 -16.446 -11.415 1.00 1.32 H new ATOM 65 N VAL A 6 -7.387 -14.148 -9.464 1.00 53.21 N ATOM 66 CA VAL A 6 -7.651 -12.998 -8.646 1.00 12.53 C ATOM 67 C VAL A 6 -8.189 -11.843 -9.464 1.00 11.41 C ATOM 68 O VAL A 6 -7.574 -11.392 -10.424 1.00 74.14 O ATOM 69 CB VAL A 6 -6.399 -12.571 -7.840 1.00 1.24 C ATOM 70 CG1 VAL A 6 -6.650 -11.289 -7.088 1.00 12.53 C ATOM 71 CG2 VAL A 6 -6.030 -13.657 -6.860 1.00 42.25 C ATOM 0 H VAL A 6 -6.418 -14.464 -9.423 1.00 53.21 H new ATOM 0 HA VAL A 6 -8.422 -13.286 -7.932 1.00 12.53 H new ATOM 0 HB VAL A 6 -5.582 -12.409 -8.543 1.00 1.24 H new ATOM 0 HG11 VAL A 6 -5.755 -11.013 -6.531 1.00 12.53 H new ATOM 0 HG12 VAL A 6 -6.898 -10.496 -7.793 1.00 12.53 H new ATOM 0 HG13 VAL A 6 -7.479 -11.430 -6.395 1.00 12.53 H new ATOM 0 HG21 VAL A 6 -5.149 -13.353 -6.295 1.00 42.25 H new ATOM 0 HG22 VAL A 6 -6.860 -13.826 -6.174 1.00 42.25 H new ATOM 0 HG23 VAL A 6 -5.814 -14.578 -7.402 1.00 42.25 H new ATOM 81 N THR A 7 -9.339 -11.401 -9.087 1.00 61.14 N ATOM 82 CA THR A 7 -9.984 -10.314 -9.740 1.00 13.50 C ATOM 83 C THR A 7 -9.929 -9.090 -8.798 1.00 43.05 C ATOM 84 O THR A 7 -9.825 -9.249 -7.573 1.00 1.24 O ATOM 85 CB THR A 7 -11.436 -10.732 -10.048 1.00 13.41 C ATOM 86 OG1 THR A 7 -11.404 -12.065 -10.628 1.00 54.42 O ATOM 87 CG2 THR A 7 -12.083 -9.783 -11.046 1.00 15.35 C ATOM 0 H THR A 7 -9.866 -11.790 -8.305 1.00 61.14 H new ATOM 0 HA THR A 7 -9.495 -10.051 -10.678 1.00 13.50 H new ATOM 0 HB THR A 7 -12.017 -10.708 -9.126 1.00 13.41 H new ATOM 0 HG1 THR A 7 -12.318 -12.355 -10.832 1.00 54.42 H new ATOM 0 HG21 THR A 7 -13.106 -10.104 -11.243 1.00 15.35 H new ATOM 0 HG22 THR A 7 -12.092 -8.774 -10.635 1.00 15.35 H new ATOM 0 HG23 THR A 7 -11.515 -9.791 -11.976 1.00 15.35 H new ATOM 95 N LEU A 8 -9.936 -7.914 -9.352 1.00 33.14 N ATOM 96 CA LEU A 8 -9.846 -6.696 -8.581 1.00 52.03 C ATOM 97 C LEU A 8 -11.231 -6.055 -8.595 1.00 0.43 C ATOM 98 O LEU A 8 -11.773 -5.784 -9.663 1.00 32.42 O ATOM 99 CB LEU A 8 -8.777 -5.828 -9.266 1.00 61.01 C ATOM 100 CG LEU A 8 -8.225 -4.598 -8.551 1.00 13.43 C ATOM 101 CD1 LEU A 8 -7.811 -4.930 -7.130 1.00 43.53 C ATOM 102 CD2 LEU A 8 -7.015 -4.144 -9.315 1.00 71.23 C ATOM 0 H LEU A 8 -10.005 -7.765 -10.359 1.00 33.14 H new ATOM 0 HA LEU A 8 -9.557 -6.844 -7.541 1.00 52.03 H new ATOM 0 HB2 LEU A 8 -7.932 -6.476 -9.497 1.00 61.01 H new ATOM 0 HB3 LEU A 8 -9.191 -5.493 -10.217 1.00 61.01 H new ATOM 0 HG LEU A 8 -8.992 -3.825 -8.508 1.00 13.43 H new ATOM 0 HD11 LEU A 8 -7.422 -4.034 -6.646 1.00 43.53 H new ATOM 0 HD12 LEU A 8 -8.675 -5.296 -6.575 1.00 43.53 H new ATOM 0 HD13 LEU A 8 -7.038 -5.699 -7.146 1.00 43.53 H new ATOM 0 HD21 LEU A 8 -6.590 -3.263 -8.834 1.00 71.23 H new ATOM 0 HD22 LEU A 8 -6.273 -4.943 -9.330 1.00 71.23 H new ATOM 0 HD23 LEU A 8 -7.302 -3.896 -10.337 1.00 71.23 H new ATOM 114 N GLU A 9 -11.825 -5.838 -7.433 1.00 20.02 N ATOM 115 CA GLU A 9 -13.206 -5.400 -7.401 1.00 52.32 C ATOM 116 C GLU A 9 -13.406 -3.895 -7.170 1.00 53.34 C ATOM 117 O GLU A 9 -12.442 -3.141 -6.950 1.00 52.15 O ATOM 118 CB GLU A 9 -14.080 -6.318 -6.506 1.00 12.31 C ATOM 119 CG GLU A 9 -13.667 -6.442 -5.042 1.00 42.20 C ATOM 120 CD GLU A 9 -13.998 -5.224 -4.235 1.00 70.31 C ATOM 121 OE1 GLU A 9 -15.165 -5.110 -3.774 1.00 55.53 O ATOM 122 OE2 GLU A 9 -13.145 -4.359 -4.057 1.00 10.02 O ATOM 0 H GLU A 9 -11.384 -5.955 -6.521 1.00 20.02 H new ATOM 0 HA GLU A 9 -13.580 -5.524 -8.417 1.00 52.32 H new ATOM 0 HB2 GLU A 9 -15.106 -5.950 -6.540 1.00 12.31 H new ATOM 0 HB3 GLU A 9 -14.084 -7.316 -6.944 1.00 12.31 H new ATOM 0 HG2 GLU A 9 -14.162 -7.308 -4.603 1.00 42.20 H new ATOM 0 HG3 GLU A 9 -12.594 -6.627 -4.987 1.00 42.20 H new ATOM 129 N GLU A 10 -14.668 -3.481 -7.224 1.00 73.35 N ATOM 130 CA GLU A 10 -15.060 -2.077 -7.197 1.00 55.53 C ATOM 131 C GLU A 10 -14.703 -1.352 -5.898 1.00 74.44 C ATOM 132 O GLU A 10 -14.314 -0.190 -5.943 1.00 32.43 O ATOM 133 CB GLU A 10 -16.558 -1.928 -7.493 1.00 20.20 C ATOM 134 CG GLU A 10 -17.031 -0.480 -7.619 1.00 43.04 C ATOM 135 CD GLU A 10 -16.387 0.233 -8.785 1.00 65.34 C ATOM 136 OE1 GLU A 10 -15.314 0.846 -8.633 1.00 64.24 O ATOM 137 OE2 GLU A 10 -16.929 0.167 -9.894 1.00 64.41 O ATOM 0 H GLU A 10 -15.459 -4.122 -7.289 1.00 73.35 H new ATOM 0 HA GLU A 10 -14.477 -1.595 -7.981 1.00 55.53 H new ATOM 0 HB2 GLU A 10 -16.788 -2.455 -8.419 1.00 20.20 H new ATOM 0 HB3 GLU A 10 -17.124 -2.416 -6.699 1.00 20.20 H new ATOM 0 HG2 GLU A 10 -18.114 -0.463 -7.739 1.00 43.04 H new ATOM 0 HG3 GLU A 10 -16.804 0.056 -6.697 1.00 43.04 H new ATOM 144 N SER A 11 -14.797 -2.024 -4.764 1.00 20.31 N ATOM 145 CA SER A 11 -14.552 -1.371 -3.485 1.00 50.43 C ATOM 146 C SER A 11 -13.106 -0.870 -3.426 1.00 21.54 C ATOM 147 O SER A 11 -12.839 0.246 -2.953 1.00 21.55 O ATOM 148 CB SER A 11 -14.829 -2.331 -2.338 1.00 71.44 C ATOM 149 OG SER A 11 -16.071 -3.009 -2.517 1.00 54.40 O ATOM 0 H SER A 11 -15.039 -3.013 -4.700 1.00 20.31 H new ATOM 0 HA SER A 11 -15.225 -0.519 -3.388 1.00 50.43 H new ATOM 0 HB2 SER A 11 -14.021 -3.060 -2.268 1.00 71.44 H new ATOM 0 HB3 SER A 11 -14.845 -1.781 -1.397 1.00 71.44 H new ATOM 0 HG SER A 11 -15.902 -3.932 -2.800 1.00 54.40 H new ATOM 155 N VAL A 12 -12.186 -1.687 -3.939 1.00 10.03 N ATOM 156 CA VAL A 12 -10.793 -1.305 -4.031 1.00 42.41 C ATOM 157 C VAL A 12 -10.636 -0.156 -5.028 1.00 73.14 C ATOM 158 O VAL A 12 -10.029 0.860 -4.716 1.00 11.11 O ATOM 159 CB VAL A 12 -9.883 -2.493 -4.462 1.00 12.44 C ATOM 160 CG1 VAL A 12 -8.426 -2.054 -4.572 1.00 51.12 C ATOM 161 CG2 VAL A 12 -10.005 -3.648 -3.485 1.00 44.24 C ATOM 0 H VAL A 12 -12.390 -2.620 -4.296 1.00 10.03 H new ATOM 0 HA VAL A 12 -10.477 -0.989 -3.037 1.00 42.41 H new ATOM 0 HB VAL A 12 -10.219 -2.828 -5.443 1.00 12.44 H new ATOM 0 HG11 VAL A 12 -7.812 -2.902 -4.874 1.00 51.12 H new ATOM 0 HG12 VAL A 12 -8.340 -1.261 -5.315 1.00 51.12 H new ATOM 0 HG13 VAL A 12 -8.083 -1.685 -3.605 1.00 51.12 H new ATOM 0 HG21 VAL A 12 -9.361 -4.466 -3.807 1.00 44.24 H new ATOM 0 HG22 VAL A 12 -9.703 -3.317 -2.491 1.00 44.24 H new ATOM 0 HG23 VAL A 12 -11.039 -3.991 -3.455 1.00 44.24 H new ATOM 171 N ARG A 13 -11.242 -0.308 -6.206 1.00 21.54 N ATOM 172 CA ARG A 13 -11.131 0.694 -7.285 1.00 22.24 C ATOM 173 C ARG A 13 -11.650 2.055 -6.835 1.00 52.11 C ATOM 174 O ARG A 13 -10.991 3.080 -7.037 1.00 64.22 O ATOM 175 CB ARG A 13 -11.881 0.251 -8.548 1.00 44.35 C ATOM 176 CG ARG A 13 -11.453 -1.101 -9.079 1.00 74.00 C ATOM 177 CD ARG A 13 -12.123 -1.436 -10.407 1.00 2.41 C ATOM 178 NE ARG A 13 -13.598 -1.347 -10.362 1.00 2.33 N ATOM 179 CZ ARG A 13 -14.435 -2.148 -11.058 1.00 41.25 C ATOM 180 NH1 ARG A 13 -13.973 -3.222 -11.697 1.00 43.53 N ATOM 181 NH2 ARG A 13 -15.728 -1.883 -11.098 1.00 64.23 N ATOM 0 H ARG A 13 -11.818 -1.115 -6.445 1.00 21.54 H new ATOM 0 HA ARG A 13 -10.071 0.781 -7.523 1.00 22.24 H new ATOM 0 HB2 ARG A 13 -12.949 0.223 -8.332 1.00 44.35 H new ATOM 0 HB3 ARG A 13 -11.732 0.999 -9.327 1.00 44.35 H new ATOM 0 HG2 ARG A 13 -10.371 -1.113 -9.207 1.00 74.00 H new ATOM 0 HG3 ARG A 13 -11.696 -1.871 -8.347 1.00 74.00 H new ATOM 0 HD2 ARG A 13 -11.749 -0.758 -11.175 1.00 2.41 H new ATOM 0 HD3 ARG A 13 -11.837 -2.445 -10.705 1.00 2.41 H new ATOM 0 HE ARG A 13 -14.013 -0.632 -9.764 1.00 2.33 H new ATOM 0 HH11 ARG A 13 -12.979 -3.447 -11.664 1.00 43.53 H new ATOM 0 HH12 ARG A 13 -14.614 -3.820 -12.219 1.00 43.53 H new ATOM 0 HH21 ARG A 13 -16.098 -1.072 -10.603 1.00 64.23 H new ATOM 0 HH22 ARG A 13 -16.357 -2.490 -11.624 1.00 64.23 H new ATOM 195 N GLY A 14 -12.812 2.050 -6.202 1.00 31.23 N ATOM 196 CA GLY A 14 -13.422 3.261 -5.709 1.00 31.12 C ATOM 197 C GLY A 14 -12.604 3.911 -4.618 1.00 63.42 C ATOM 198 O GLY A 14 -12.587 5.130 -4.491 1.00 22.04 O ATOM 0 H GLY A 14 -13.353 1.205 -6.019 1.00 31.23 H new ATOM 0 HA2 GLY A 14 -13.548 3.963 -6.533 1.00 31.12 H new ATOM 0 HA3 GLY A 14 -14.418 3.035 -5.328 1.00 31.12 H new ATOM 202 N ALA A 15 -11.921 3.095 -3.839 1.00 74.33 N ATOM 203 CA ALA A 15 -11.079 3.585 -2.767 1.00 33.14 C ATOM 204 C ALA A 15 -9.782 4.187 -3.321 1.00 55.45 C ATOM 205 O ALA A 15 -9.307 5.207 -2.826 1.00 42.25 O ATOM 206 CB ALA A 15 -10.791 2.481 -1.774 1.00 3.13 C ATOM 0 H ALA A 15 -11.934 2.079 -3.931 1.00 74.33 H new ATOM 0 HA ALA A 15 -11.613 4.378 -2.245 1.00 33.14 H new ATOM 0 HB1 ALA A 15 -10.157 2.866 -0.975 1.00 3.13 H new ATOM 0 HB2 ALA A 15 -11.728 2.119 -1.351 1.00 3.13 H new ATOM 0 HB3 ALA A 15 -10.280 1.661 -2.279 1.00 3.13 H new ATOM 212 N ILE A 16 -9.222 3.551 -4.349 1.00 31.51 N ATOM 213 CA ILE A 16 -8.018 4.061 -5.026 1.00 61.12 C ATOM 214 C ILE A 16 -8.339 5.422 -5.640 1.00 51.13 C ATOM 215 O ILE A 16 -7.608 6.403 -5.464 1.00 43.04 O ATOM 216 CB ILE A 16 -7.538 3.091 -6.158 1.00 21.02 C ATOM 217 CG1 ILE A 16 -7.162 1.702 -5.599 1.00 21.42 C ATOM 218 CG2 ILE A 16 -6.373 3.684 -6.948 1.00 72.23 C ATOM 219 CD1 ILE A 16 -6.034 1.708 -4.587 1.00 25.45 C ATOM 0 H ILE A 16 -9.580 2.678 -4.737 1.00 31.51 H new ATOM 0 HA ILE A 16 -7.219 4.144 -4.289 1.00 61.12 H new ATOM 0 HB ILE A 16 -8.378 2.961 -6.840 1.00 21.02 H new ATOM 0 HG12 ILE A 16 -8.045 1.261 -5.136 1.00 21.42 H new ATOM 0 HG13 ILE A 16 -6.882 1.055 -6.430 1.00 21.42 H new ATOM 0 HG21 ILE A 16 -6.066 2.984 -7.725 1.00 72.23 H new ATOM 0 HG22 ILE A 16 -6.685 4.622 -7.408 1.00 72.23 H new ATOM 0 HG23 ILE A 16 -5.535 3.870 -6.276 1.00 72.23 H new ATOM 0 HD11 ILE A 16 -5.841 0.689 -4.251 1.00 25.45 H new ATOM 0 HD12 ILE A 16 -5.134 2.115 -5.048 1.00 25.45 H new ATOM 0 HD13 ILE A 16 -6.315 2.324 -3.733 1.00 25.45 H new ATOM 231 N ASP A 17 -9.469 5.468 -6.323 1.00 45.32 N ATOM 232 CA ASP A 17 -9.980 6.682 -6.950 1.00 41.43 C ATOM 233 C ASP A 17 -10.163 7.794 -5.927 1.00 75.24 C ATOM 234 O ASP A 17 -9.774 8.945 -6.155 1.00 21.23 O ATOM 235 CB ASP A 17 -11.309 6.384 -7.639 1.00 65.53 C ATOM 236 CG ASP A 17 -12.037 7.630 -8.067 1.00 12.43 C ATOM 237 OD1 ASP A 17 -11.601 8.285 -9.021 1.00 3.34 O ATOM 238 OD2 ASP A 17 -13.090 7.947 -7.457 1.00 32.33 O ATOM 0 H ASP A 17 -10.068 4.654 -6.462 1.00 45.32 H new ATOM 0 HA ASP A 17 -9.253 7.019 -7.689 1.00 41.43 H new ATOM 0 HB2 ASP A 17 -11.128 5.757 -8.512 1.00 65.53 H new ATOM 0 HB3 ASP A 17 -11.944 5.812 -6.962 1.00 65.53 H new ATOM 243 N ASP A 18 -10.720 7.420 -4.805 1.00 62.11 N ATOM 244 CA ASP A 18 -10.994 8.318 -3.692 1.00 40.33 C ATOM 245 C ASP A 18 -9.694 8.890 -3.131 1.00 52.34 C ATOM 246 O ASP A 18 -9.584 10.097 -2.851 1.00 64.32 O ATOM 247 CB ASP A 18 -11.688 7.522 -2.611 1.00 14.23 C ATOM 248 CG ASP A 18 -12.310 8.360 -1.548 1.00 44.25 C ATOM 249 OD1 ASP A 18 -11.610 8.818 -0.656 1.00 34.34 O ATOM 250 OD2 ASP A 18 -13.550 8.523 -1.568 1.00 74.34 O ATOM 0 H ASP A 18 -11.007 6.458 -4.626 1.00 62.11 H new ATOM 0 HA ASP A 18 -11.617 9.144 -4.034 1.00 40.33 H new ATOM 0 HB2 ASP A 18 -12.459 6.902 -3.069 1.00 14.23 H new ATOM 0 HB3 ASP A 18 -10.967 6.846 -2.151 1.00 14.23 H new ATOM 255 N LEU A 19 -8.703 8.017 -3.000 1.00 23.11 N ATOM 256 CA LEU A 19 -7.390 8.371 -2.476 1.00 12.41 C ATOM 257 C LEU A 19 -6.695 9.345 -3.427 1.00 51.22 C ATOM 258 O LEU A 19 -5.991 10.231 -2.990 1.00 23.41 O ATOM 259 CB LEU A 19 -6.553 7.080 -2.251 1.00 73.30 C ATOM 260 CG LEU A 19 -5.240 7.163 -1.413 1.00 21.15 C ATOM 261 CD1 LEU A 19 -4.774 5.783 -1.103 1.00 32.24 C ATOM 262 CD2 LEU A 19 -4.121 7.901 -2.129 1.00 65.24 C ATOM 0 H LEU A 19 -8.789 7.034 -3.257 1.00 23.11 H new ATOM 0 HA LEU A 19 -7.496 8.872 -1.514 1.00 12.41 H new ATOM 0 HB2 LEU A 19 -7.202 6.347 -1.772 1.00 73.30 H new ATOM 0 HB3 LEU A 19 -6.292 6.683 -3.232 1.00 73.30 H new ATOM 0 HG LEU A 19 -5.475 7.722 -0.507 1.00 21.15 H new ATOM 0 HD11 LEU A 19 -3.856 5.832 -0.517 1.00 32.24 H new ATOM 0 HD12 LEU A 19 -5.541 5.259 -0.533 1.00 32.24 H new ATOM 0 HD13 LEU A 19 -4.583 5.246 -2.032 1.00 32.24 H new ATOM 0 HD21 LEU A 19 -3.236 7.924 -1.494 1.00 65.24 H new ATOM 0 HD22 LEU A 19 -3.885 7.388 -3.061 1.00 65.24 H new ATOM 0 HD23 LEU A 19 -4.438 8.921 -2.346 1.00 65.24 H new ATOM 274 N ARG A 20 -6.932 9.202 -4.727 1.00 12.10 N ATOM 275 CA ARG A 20 -6.348 10.120 -5.718 1.00 31.34 C ATOM 276 C ARG A 20 -6.806 11.560 -5.472 1.00 2.14 C ATOM 277 O ARG A 20 -6.064 12.505 -5.704 1.00 72.40 O ATOM 278 CB ARG A 20 -6.675 9.707 -7.159 1.00 23.13 C ATOM 279 CG ARG A 20 -6.122 8.352 -7.569 1.00 33.21 C ATOM 280 CD ARG A 20 -6.396 8.056 -9.040 1.00 73.43 C ATOM 281 NE ARG A 20 -7.832 8.050 -9.363 1.00 5.30 N ATOM 282 CZ ARG A 20 -8.353 7.679 -10.547 1.00 43.21 C ATOM 283 NH1 ARG A 20 -7.561 7.465 -11.596 1.00 74.52 N ATOM 284 NH2 ARG A 20 -9.671 7.607 -10.699 1.00 44.54 N ATOM 0 H ARG A 20 -7.518 8.468 -5.124 1.00 12.10 H new ATOM 0 HA ARG A 20 -5.267 10.063 -5.593 1.00 31.34 H new ATOM 0 HB2 ARG A 20 -7.758 9.696 -7.283 1.00 23.13 H new ATOM 0 HB3 ARG A 20 -6.284 10.465 -7.838 1.00 23.13 H new ATOM 0 HG2 ARG A 20 -5.048 8.326 -7.386 1.00 33.21 H new ATOM 0 HG3 ARG A 20 -6.569 7.574 -6.951 1.00 33.21 H new ATOM 0 HD2 ARG A 20 -5.893 8.802 -9.656 1.00 73.43 H new ATOM 0 HD3 ARG A 20 -5.966 7.088 -9.297 1.00 73.43 H new ATOM 0 HE ARG A 20 -8.481 8.349 -8.635 1.00 5.30 H new ATOM 0 HH11 ARG A 20 -6.552 7.582 -11.505 1.00 74.52 H new ATOM 0 HH12 ARG A 20 -7.964 7.184 -12.490 1.00 74.52 H new ATOM 0 HH21 ARG A 20 -10.287 7.833 -9.918 1.00 44.54 H new ATOM 0 HH22 ARG A 20 -10.066 7.326 -11.596 1.00 44.54 H new ATOM 298 N MET A 21 -8.018 11.709 -4.963 1.00 22.54 N ATOM 299 CA MET A 21 -8.572 13.025 -4.646 1.00 2.21 C ATOM 300 C MET A 21 -8.242 13.412 -3.205 1.00 32.41 C ATOM 301 O MET A 21 -8.562 14.512 -2.748 1.00 74.53 O ATOM 302 CB MET A 21 -10.081 13.042 -4.858 1.00 71.30 C ATOM 303 CG MET A 21 -10.510 12.892 -6.304 1.00 23.13 C ATOM 304 SD MET A 21 -12.304 12.914 -6.492 1.00 13.21 S ATOM 305 CE MET A 21 -12.462 12.816 -8.272 1.00 42.14 C ATOM 0 H MET A 21 -8.645 10.931 -4.757 1.00 22.54 H new ATOM 0 HA MET A 21 -8.119 13.753 -5.319 1.00 2.21 H new ATOM 0 HB2 MET A 21 -10.527 12.237 -4.274 1.00 71.30 H new ATOM 0 HB3 MET A 21 -10.480 13.978 -4.468 1.00 71.30 H new ATOM 0 HG2 MET A 21 -10.075 13.698 -6.895 1.00 23.13 H new ATOM 0 HG3 MET A 21 -10.117 11.957 -6.702 1.00 23.13 H new ATOM 0 HE1 MET A 21 -13.517 12.820 -8.544 1.00 42.14 H new ATOM 0 HE2 MET A 21 -11.966 13.672 -8.729 1.00 42.14 H new ATOM 0 HE3 MET A 21 -11.999 11.896 -8.628 1.00 42.14 H new ATOM 315 N LYS A 22 -7.602 12.488 -2.509 1.00 10.00 N ATOM 316 CA LYS A 22 -7.168 12.631 -1.123 1.00 64.35 C ATOM 317 C LYS A 22 -8.310 12.827 -0.150 1.00 12.33 C ATOM 318 O LYS A 22 -8.168 13.513 0.873 1.00 65.44 O ATOM 319 CB LYS A 22 -6.089 13.705 -0.961 1.00 62.33 C ATOM 320 CG LYS A 22 -4.803 13.137 -0.388 1.00 0.21 C ATOM 321 CD LYS A 22 -4.179 12.116 -1.328 1.00 63.10 C ATOM 322 CE LYS A 22 -3.486 12.775 -2.505 1.00 4.53 C ATOM 323 NZ LYS A 22 -2.310 13.529 -2.044 1.00 15.44 N ATOM 0 H LYS A 22 -7.359 11.581 -2.906 1.00 10.00 H new ATOM 0 HA LYS A 22 -6.715 11.675 -0.861 1.00 64.35 H new ATOM 0 HB2 LYS A 22 -5.884 14.162 -1.929 1.00 62.33 H new ATOM 0 HB3 LYS A 22 -6.459 14.495 -0.308 1.00 62.33 H new ATOM 0 HG2 LYS A 22 -4.096 13.946 -0.206 1.00 0.21 H new ATOM 0 HG3 LYS A 22 -5.007 12.670 0.575 1.00 0.21 H new ATOM 0 HD2 LYS A 22 -3.460 11.509 -0.778 1.00 63.10 H new ATOM 0 HD3 LYS A 22 -4.952 11.441 -1.694 1.00 63.10 H new ATOM 0 HE2 LYS A 22 -3.181 12.018 -3.228 1.00 4.53 H new ATOM 0 HE3 LYS A 22 -4.178 13.444 -3.016 1.00 4.53 H new ATOM 0 HZ1 LYS A 22 -1.814 13.934 -2.864 1.00 15.44 H new ATOM 0 HZ2 LYS A 22 -2.615 14.295 -1.411 1.00 15.44 H new ATOM 0 HZ3 LYS A 22 -1.668 12.891 -1.531 1.00 15.44 H new ATOM 337 N LYS A 23 -9.423 12.200 -0.442 1.00 11.33 N ATOM 338 CA LYS A 23 -10.536 12.207 0.474 1.00 5.31 C ATOM 339 C LYS A 23 -10.200 11.202 1.570 1.00 11.24 C ATOM 340 O LYS A 23 -10.370 11.457 2.757 1.00 70.42 O ATOM 341 CB LYS A 23 -11.817 11.801 -0.237 1.00 43.32 C ATOM 342 CG LYS A 23 -12.175 12.642 -1.442 1.00 2.23 C ATOM 343 CD LYS A 23 -13.384 12.066 -2.148 1.00 12.24 C ATOM 344 CE LYS A 23 -13.750 12.873 -3.366 1.00 30.11 C ATOM 345 NZ LYS A 23 -14.898 12.303 -4.092 1.00 72.32 N ATOM 0 H LYS A 23 -9.582 11.680 -1.305 1.00 11.33 H new ATOM 0 HA LYS A 23 -10.696 13.204 0.885 1.00 5.31 H new ATOM 0 HB2 LYS A 23 -11.725 10.762 -0.553 1.00 43.32 H new ATOM 0 HB3 LYS A 23 -12.640 11.846 0.476 1.00 43.32 H new ATOM 0 HG2 LYS A 23 -12.382 13.666 -1.130 1.00 2.23 H new ATOM 0 HG3 LYS A 23 -11.330 12.682 -2.129 1.00 2.23 H new ATOM 0 HD2 LYS A 23 -13.179 11.036 -2.441 1.00 12.24 H new ATOM 0 HD3 LYS A 23 -14.229 12.040 -1.461 1.00 12.24 H new ATOM 0 HE2 LYS A 23 -13.984 13.894 -3.065 1.00 30.11 H new ATOM 0 HE3 LYS A 23 -12.891 12.927 -4.035 1.00 30.11 H new ATOM 0 HZ1 LYS A 23 -15.112 12.893 -4.922 1.00 72.32 H new ATOM 0 HZ2 LYS A 23 -14.667 11.338 -4.404 1.00 72.32 H new ATOM 0 HZ3 LYS A 23 -15.727 12.275 -3.464 1.00 72.32 H new ATOM 359 N SER A 24 -9.716 10.062 1.153 1.00 31.23 N ATOM 360 CA SER A 24 -9.209 9.076 2.053 1.00 52.42 C ATOM 361 C SER A 24 -7.683 9.201 2.127 1.00 32.24 C ATOM 362 O SER A 24 -7.068 9.892 1.309 1.00 33.03 O ATOM 363 CB SER A 24 -9.635 7.684 1.601 1.00 22.14 C ATOM 364 OG SER A 24 -11.060 7.599 1.536 1.00 25.15 O ATOM 0 H SER A 24 -9.665 9.795 0.170 1.00 31.23 H new ATOM 0 HA SER A 24 -9.619 9.236 3.050 1.00 52.42 H new ATOM 0 HB2 SER A 24 -9.206 7.464 0.624 1.00 22.14 H new ATOM 0 HB3 SER A 24 -9.250 6.936 2.294 1.00 22.14 H new ATOM 0 HG SER A 24 -11.367 7.913 0.660 1.00 25.15 H new ATOM 370 N ARG A 25 -7.096 8.564 3.091 1.00 1.11 N ATOM 371 CA ARG A 25 -5.666 8.639 3.310 1.00 62.13 C ATOM 372 C ARG A 25 -5.043 7.280 3.073 1.00 4.52 C ATOM 373 O ARG A 25 -3.963 7.184 2.495 1.00 21.42 O ATOM 374 CB ARG A 25 -5.425 9.094 4.739 1.00 2.51 C ATOM 375 CG ARG A 25 -3.985 9.298 5.197 1.00 15.43 C ATOM 376 CD ARG A 25 -3.277 10.483 4.538 1.00 43.45 C ATOM 377 NE ARG A 25 -2.164 10.945 5.401 1.00 72.03 N ATOM 378 CZ ARG A 25 -1.038 11.588 5.017 1.00 0.14 C ATOM 379 NH1 ARG A 25 -0.782 11.837 3.741 1.00 41.44 N ATOM 380 NH2 ARG A 25 -0.170 11.997 5.948 1.00 44.02 N ATOM 0 H ARG A 25 -7.589 7.971 3.758 1.00 1.11 H new ATOM 0 HA ARG A 25 -5.211 9.349 2.619 1.00 62.13 H new ATOM 0 HB2 ARG A 25 -5.957 10.035 4.883 1.00 2.51 H new ATOM 0 HB3 ARG A 25 -5.885 8.363 5.403 1.00 2.51 H new ATOM 0 HG2 ARG A 25 -3.976 9.440 6.278 1.00 15.43 H new ATOM 0 HG3 ARG A 25 -3.418 8.390 4.990 1.00 15.43 H new ATOM 0 HD2 ARG A 25 -2.894 10.192 3.560 1.00 43.45 H new ATOM 0 HD3 ARG A 25 -3.984 11.296 4.374 1.00 43.45 H new ATOM 0 HE ARG A 25 -2.258 10.756 6.399 1.00 72.03 H new ATOM 0 HH11 ARG A 25 -1.442 11.542 3.021 1.00 41.44 H new ATOM 0 HH12 ARG A 25 0.075 12.324 3.478 1.00 41.44 H new ATOM 0 HH21 ARG A 25 -0.361 11.823 6.935 1.00 44.02 H new ATOM 0 HH22 ARG A 25 0.683 12.483 5.672 1.00 44.02 H new ATOM 394 N TYR A 26 -5.730 6.221 3.507 1.00 43.42 N ATOM 395 CA TYR A 26 -5.204 4.891 3.325 1.00 62.52 C ATOM 396 C TYR A 26 -6.332 3.913 3.014 1.00 35.23 C ATOM 397 O TYR A 26 -7.462 4.065 3.502 1.00 31.45 O ATOM 398 CB TYR A 26 -4.407 4.410 4.573 1.00 45.05 C ATOM 399 CG TYR A 26 -5.245 3.825 5.691 1.00 51.42 C ATOM 400 CD1 TYR A 26 -5.790 4.624 6.668 1.00 32.30 C ATOM 401 CD2 TYR A 26 -5.492 2.460 5.742 1.00 22.41 C ATOM 402 CE1 TYR A 26 -6.569 4.084 7.673 1.00 30.02 C ATOM 403 CE2 TYR A 26 -6.278 1.912 6.741 1.00 54.22 C ATOM 404 CZ TYR A 26 -6.814 2.731 7.704 1.00 54.42 C ATOM 405 OH TYR A 26 -7.608 2.202 8.706 1.00 31.11 O ATOM 0 H TYR A 26 -6.634 6.268 3.977 1.00 43.42 H new ATOM 0 HA TYR A 26 -4.514 4.923 2.482 1.00 62.52 H new ATOM 0 HB2 TYR A 26 -3.682 3.661 4.254 1.00 45.05 H new ATOM 0 HB3 TYR A 26 -3.841 5.253 4.969 1.00 45.05 H new ATOM 0 HD1 TYR A 26 -5.607 5.688 6.650 1.00 32.30 H new ATOM 0 HD2 TYR A 26 -5.064 1.815 4.989 1.00 22.41 H new ATOM 0 HE1 TYR A 26 -6.986 4.725 8.435 1.00 30.02 H new ATOM 0 HE2 TYR A 26 -6.468 0.849 6.763 1.00 54.22 H new ATOM 0 HH TYR A 26 -7.602 1.224 8.646 1.00 31.11 H new ATOM 415 N VAL A 27 -6.018 2.935 2.220 1.00 72.21 N ATOM 416 CA VAL A 27 -6.912 1.865 1.863 1.00 22.30 C ATOM 417 C VAL A 27 -6.249 0.552 2.260 1.00 5.10 C ATOM 418 O VAL A 27 -5.278 0.137 1.630 1.00 61.13 O ATOM 419 CB VAL A 27 -7.169 1.838 0.331 1.00 11.25 C ATOM 420 CG1 VAL A 27 -8.151 0.743 -0.048 1.00 43.31 C ATOM 421 CG2 VAL A 27 -7.644 3.193 -0.172 1.00 5.00 C ATOM 0 H VAL A 27 -5.099 2.853 1.785 1.00 72.21 H new ATOM 0 HA VAL A 27 -7.864 2.010 2.373 1.00 22.30 H new ATOM 0 HB VAL A 27 -6.219 1.614 -0.155 1.00 11.25 H new ATOM 0 HG11 VAL A 27 -8.308 0.752 -1.127 1.00 43.31 H new ATOM 0 HG12 VAL A 27 -7.750 -0.225 0.252 1.00 43.31 H new ATOM 0 HG13 VAL A 27 -9.101 0.915 0.458 1.00 43.31 H new ATOM 0 HG21 VAL A 27 -7.815 3.142 -1.247 1.00 5.00 H new ATOM 0 HG22 VAL A 27 -8.573 3.463 0.331 1.00 5.00 H new ATOM 0 HG23 VAL A 27 -6.885 3.946 0.039 1.00 5.00 H new ATOM 431 N MET A 28 -6.738 -0.071 3.302 1.00 15.31 N ATOM 432 CA MET A 28 -6.174 -1.327 3.758 1.00 34.33 C ATOM 433 C MET A 28 -6.872 -2.446 3.042 1.00 75.13 C ATOM 434 O MET A 28 -8.096 -2.615 3.158 1.00 1.23 O ATOM 435 CB MET A 28 -6.301 -1.470 5.277 1.00 73.14 C ATOM 436 CG MET A 28 -5.761 -2.776 5.852 1.00 32.21 C ATOM 437 SD MET A 28 -5.908 -2.844 7.651 1.00 20.41 S ATOM 438 CE MET A 28 -5.209 -4.461 7.975 1.00 2.41 C ATOM 0 H MET A 28 -7.526 0.267 3.854 1.00 15.31 H new ATOM 0 HA MET A 28 -5.109 -1.358 3.530 1.00 34.33 H new ATOM 0 HB2 MET A 28 -5.777 -0.639 5.750 1.00 73.14 H new ATOM 0 HB3 MET A 28 -7.353 -1.379 5.548 1.00 73.14 H new ATOM 0 HG2 MET A 28 -6.302 -3.615 5.413 1.00 32.21 H new ATOM 0 HG3 MET A 28 -4.714 -2.889 5.570 1.00 32.21 H new ATOM 0 HE1 MET A 28 -5.226 -4.657 9.047 1.00 2.41 H new ATOM 0 HE2 MET A 28 -5.795 -5.221 7.458 1.00 2.41 H new ATOM 0 HE3 MET A 28 -4.180 -4.491 7.617 1.00 2.41 H new ATOM 448 N MET A 29 -6.120 -3.175 2.281 1.00 34.45 N ATOM 449 CA MET A 29 -6.649 -4.204 1.438 1.00 61.32 C ATOM 450 C MET A 29 -6.429 -5.573 2.051 1.00 2.11 C ATOM 451 O MET A 29 -5.696 -5.723 3.024 1.00 13.53 O ATOM 452 CB MET A 29 -5.974 -4.121 0.068 1.00 73.33 C ATOM 453 CG MET A 29 -6.155 -2.772 -0.626 1.00 54.54 C ATOM 454 SD MET A 29 -5.049 -2.547 -2.035 1.00 52.11 S ATOM 455 CE MET A 29 -5.488 -3.949 -3.033 1.00 74.24 C ATOM 0 H MET A 29 -5.107 -3.072 2.225 1.00 34.45 H new ATOM 0 HA MET A 29 -7.724 -4.058 1.328 1.00 61.32 H new ATOM 0 HB2 MET A 29 -4.909 -4.319 0.185 1.00 73.33 H new ATOM 0 HB3 MET A 29 -6.375 -4.906 -0.573 1.00 73.33 H new ATOM 0 HG2 MET A 29 -7.187 -2.679 -0.963 1.00 54.54 H new ATOM 0 HG3 MET A 29 -5.982 -1.973 0.095 1.00 54.54 H new ATOM 0 HE1 MET A 29 -4.940 -3.911 -3.974 1.00 74.24 H new ATOM 0 HE2 MET A 29 -5.235 -4.867 -2.502 1.00 74.24 H new ATOM 0 HE3 MET A 29 -6.559 -3.930 -3.236 1.00 74.24 H new ATOM 465 N CYS A 30 -7.064 -6.545 1.470 1.00 12.13 N ATOM 466 CA CYS A 30 -7.002 -7.928 1.868 1.00 44.32 C ATOM 467 C CYS A 30 -7.300 -8.761 0.636 1.00 73.31 C ATOM 468 O CYS A 30 -7.807 -8.225 -0.356 1.00 22.43 O ATOM 469 CB CYS A 30 -8.035 -8.199 2.969 1.00 53.14 C ATOM 470 SG CYS A 30 -9.710 -7.648 2.563 1.00 72.11 S ATOM 0 H CYS A 30 -7.671 -6.393 0.665 1.00 12.13 H new ATOM 0 HA CYS A 30 -6.019 -8.180 2.267 1.00 44.32 H new ATOM 0 HB2 CYS A 30 -8.056 -9.269 3.177 1.00 53.14 H new ATOM 0 HB3 CYS A 30 -7.713 -7.703 3.885 1.00 53.14 H new ATOM 0 HG CYS A 30 -9.715 -7.112 1.379 1.00 72.11 H new ATOM 476 N ILE A 31 -6.993 -10.018 0.663 1.00 61.15 N ATOM 477 CA ILE A 31 -7.223 -10.865 -0.487 1.00 43.44 C ATOM 478 C ILE A 31 -7.968 -12.090 -0.028 1.00 10.55 C ATOM 479 O ILE A 31 -7.721 -12.573 1.077 1.00 74.22 O ATOM 480 CB ILE A 31 -5.875 -11.309 -1.160 1.00 3.01 C ATOM 481 CG1 ILE A 31 -5.031 -10.086 -1.548 1.00 72.05 C ATOM 482 CG2 ILE A 31 -6.134 -12.184 -2.394 1.00 71.41 C ATOM 483 CD1 ILE A 31 -3.693 -10.430 -2.159 1.00 74.30 C ATOM 0 H ILE A 31 -6.581 -10.492 1.467 1.00 61.15 H new ATOM 0 HA ILE A 31 -7.797 -10.304 -1.225 1.00 43.44 H new ATOM 0 HB ILE A 31 -5.321 -11.900 -0.431 1.00 3.01 H new ATOM 0 HG12 ILE A 31 -5.596 -9.477 -2.254 1.00 72.05 H new ATOM 0 HG13 ILE A 31 -4.867 -9.475 -0.661 1.00 72.05 H new ATOM 0 HG21 ILE A 31 -5.183 -12.476 -2.839 1.00 71.41 H new ATOM 0 HG22 ILE A 31 -6.686 -13.076 -2.098 1.00 71.41 H new ATOM 0 HG23 ILE A 31 -6.718 -11.622 -3.123 1.00 71.41 H new ATOM 0 HD11 ILE A 31 -3.159 -9.512 -2.405 1.00 74.30 H new ATOM 0 HD12 ILE A 31 -3.107 -11.012 -1.448 1.00 74.30 H new ATOM 0 HD13 ILE A 31 -3.847 -11.015 -3.066 1.00 74.30 H new ATOM 495 N GLY A 32 -8.916 -12.549 -0.828 1.00 51.33 N ATOM 496 CA GLY A 32 -9.578 -13.780 -0.528 1.00 63.44 C ATOM 497 C GLY A 32 -8.576 -14.906 -0.540 1.00 63.44 C ATOM 498 O GLY A 32 -7.954 -15.173 -1.576 1.00 74.35 O ATOM 0 H GLY A 32 -9.233 -12.084 -1.679 1.00 51.33 H new ATOM 0 HA2 GLY A 32 -10.059 -13.718 0.448 1.00 63.44 H new ATOM 0 HA3 GLY A 32 -10.364 -13.970 -1.259 1.00 63.44 H new ATOM 502 N ALA A 33 -8.432 -15.564 0.590 1.00 42.13 N ATOM 503 CA ALA A 33 -7.412 -16.586 0.813 1.00 52.12 C ATOM 504 C ALA A 33 -7.558 -17.824 -0.074 1.00 45.20 C ATOM 505 O ALA A 33 -6.676 -18.682 -0.091 1.00 24.51 O ATOM 506 CB ALA A 33 -7.349 -16.967 2.282 1.00 53.41 C ATOM 0 H ALA A 33 -9.030 -15.406 1.401 1.00 42.13 H new ATOM 0 HA ALA A 33 -6.466 -16.132 0.518 1.00 52.12 H new ATOM 0 HB1 ALA A 33 -6.584 -17.729 2.428 1.00 53.41 H new ATOM 0 HB2 ALA A 33 -7.102 -16.087 2.876 1.00 53.41 H new ATOM 0 HB3 ALA A 33 -8.316 -17.359 2.598 1.00 53.41 H new ATOM 512 N ASP A 34 -8.667 -17.948 -0.789 1.00 51.23 N ATOM 513 CA ASP A 34 -8.815 -19.082 -1.697 1.00 14.22 C ATOM 514 C ASP A 34 -8.241 -18.688 -3.073 1.00 53.31 C ATOM 515 O ASP A 34 -8.163 -19.494 -3.992 1.00 62.13 O ATOM 516 CB ASP A 34 -10.282 -19.512 -1.838 1.00 72.34 C ATOM 517 CG ASP A 34 -10.454 -21.007 -2.155 1.00 44.24 C ATOM 518 OD1 ASP A 34 -9.748 -21.558 -3.011 1.00 51.24 O ATOM 519 OD2 ASP A 34 -11.328 -21.651 -1.533 1.00 25.11 O ATOM 0 H ASP A 34 -9.456 -17.302 -0.763 1.00 51.23 H new ATOM 0 HA ASP A 34 -8.270 -19.932 -1.287 1.00 14.22 H new ATOM 0 HB2 ASP A 34 -10.811 -19.281 -0.913 1.00 72.34 H new ATOM 0 HB3 ASP A 34 -10.750 -18.925 -2.628 1.00 72.34 H new ATOM 524 N GLY A 35 -7.833 -17.422 -3.185 1.00 34.21 N ATOM 525 CA GLY A 35 -7.246 -16.907 -4.413 1.00 10.45 C ATOM 526 C GLY A 35 -8.290 -16.397 -5.385 1.00 2.14 C ATOM 527 O GLY A 35 -8.083 -16.418 -6.604 1.00 61.02 O ATOM 0 H GLY A 35 -7.901 -16.736 -2.433 1.00 34.21 H new ATOM 0 HA2 GLY A 35 -6.555 -16.100 -4.171 1.00 10.45 H new ATOM 0 HA3 GLY A 35 -6.663 -17.694 -4.891 1.00 10.45 H new ATOM 531 N LYS A 36 -9.403 -15.915 -4.853 1.00 1.40 N ATOM 532 CA LYS A 36 -10.507 -15.486 -5.697 1.00 55.21 C ATOM 533 C LYS A 36 -10.433 -14.004 -6.100 1.00 22.23 C ATOM 534 O LYS A 36 -10.309 -13.694 -7.289 1.00 51.23 O ATOM 535 CB LYS A 36 -11.862 -15.867 -5.086 1.00 32.15 C ATOM 536 CG LYS A 36 -12.022 -17.380 -4.930 1.00 55.40 C ATOM 537 CD LYS A 36 -13.415 -17.802 -4.474 1.00 24.15 C ATOM 538 CE LYS A 36 -13.762 -17.310 -3.081 1.00 40.14 C ATOM 539 NZ LYS A 36 -15.107 -17.772 -2.662 1.00 32.43 N ATOM 0 H LYS A 36 -9.565 -15.812 -3.851 1.00 1.40 H new ATOM 0 HA LYS A 36 -10.408 -16.036 -6.633 1.00 55.21 H new ATOM 0 HB2 LYS A 36 -11.966 -15.390 -4.111 1.00 32.15 H new ATOM 0 HB3 LYS A 36 -12.664 -15.482 -5.716 1.00 32.15 H new ATOM 0 HG2 LYS A 36 -11.799 -17.861 -5.883 1.00 55.40 H new ATOM 0 HG3 LYS A 36 -11.288 -17.743 -4.211 1.00 55.40 H new ATOM 0 HD2 LYS A 36 -14.152 -17.422 -5.181 1.00 24.15 H new ATOM 0 HD3 LYS A 36 -13.484 -18.890 -4.496 1.00 24.15 H new ATOM 0 HE2 LYS A 36 -13.016 -17.667 -2.371 1.00 40.14 H new ATOM 0 HE3 LYS A 36 -13.727 -16.221 -3.059 1.00 40.14 H new ATOM 0 HZ1 LYS A 36 -15.313 -17.419 -1.706 1.00 32.43 H new ATOM 0 HZ2 LYS A 36 -15.821 -17.410 -3.326 1.00 32.43 H new ATOM 0 HZ3 LYS A 36 -15.132 -18.812 -2.660 1.00 32.43 H new ATOM 553 N LYS A 37 -10.515 -13.088 -5.148 1.00 64.34 N ATOM 554 CA LYS A 37 -10.434 -11.680 -5.485 1.00 54.03 C ATOM 555 C LYS A 37 -9.890 -10.826 -4.361 1.00 14.11 C ATOM 556 O LYS A 37 -9.859 -11.254 -3.200 1.00 50.02 O ATOM 557 CB LYS A 37 -11.761 -11.131 -6.108 1.00 43.32 C ATOM 558 CG LYS A 37 -13.075 -11.348 -5.344 1.00 3.12 C ATOM 559 CD LYS A 37 -13.247 -10.455 -4.119 1.00 71.44 C ATOM 560 CE LYS A 37 -14.659 -10.615 -3.569 1.00 12.44 C ATOM 561 NZ LYS A 37 -14.921 -9.807 -2.366 1.00 3.33 N ATOM 0 H LYS A 37 -10.635 -13.290 -4.155 1.00 64.34 H new ATOM 0 HA LYS A 37 -9.688 -11.604 -6.276 1.00 54.03 H new ATOM 0 HB2 LYS A 37 -11.638 -10.058 -6.257 1.00 43.32 H new ATOM 0 HB3 LYS A 37 -11.874 -11.579 -7.095 1.00 43.32 H new ATOM 0 HG2 LYS A 37 -13.909 -11.176 -6.024 1.00 3.12 H new ATOM 0 HG3 LYS A 37 -13.130 -12.390 -5.029 1.00 3.12 H new ATOM 0 HD2 LYS A 37 -12.516 -10.721 -3.356 1.00 71.44 H new ATOM 0 HD3 LYS A 37 -13.065 -9.414 -4.386 1.00 71.44 H new ATOM 0 HE2 LYS A 37 -15.375 -10.340 -4.344 1.00 12.44 H new ATOM 0 HE3 LYS A 37 -14.831 -11.666 -3.335 1.00 12.44 H new ATOM 0 HZ1 LYS A 37 -15.929 -9.872 -2.117 1.00 3.33 H new ATOM 0 HZ2 LYS A 37 -14.345 -10.163 -1.576 1.00 3.33 H new ATOM 0 HZ3 LYS A 37 -14.674 -8.814 -2.554 1.00 3.33 H new ATOM 575 N ILE A 38 -9.416 -9.648 -4.720 1.00 14.31 N ATOM 576 CA ILE A 38 -8.878 -8.705 -3.764 1.00 64.42 C ATOM 577 C ILE A 38 -9.997 -7.789 -3.346 1.00 10.34 C ATOM 578 O ILE A 38 -10.768 -7.341 -4.189 1.00 33.51 O ATOM 579 CB ILE A 38 -7.737 -7.828 -4.367 1.00 53.21 C ATOM 580 CG1 ILE A 38 -6.621 -8.693 -4.955 1.00 21.45 C ATOM 581 CG2 ILE A 38 -7.166 -6.903 -3.301 1.00 45.23 C ATOM 582 CD1 ILE A 38 -5.490 -7.904 -5.602 1.00 51.13 C ATOM 0 H ILE A 38 -9.394 -9.319 -5.685 1.00 14.31 H new ATOM 0 HA ILE A 38 -8.461 -9.268 -2.929 1.00 64.42 H new ATOM 0 HB ILE A 38 -8.165 -7.231 -5.172 1.00 53.21 H new ATOM 0 HG12 ILE A 38 -6.206 -9.317 -4.164 1.00 21.45 H new ATOM 0 HG13 ILE A 38 -7.051 -9.364 -5.698 1.00 21.45 H new ATOM 0 HG21 ILE A 38 -6.371 -6.296 -3.734 1.00 45.23 H new ATOM 0 HG22 ILE A 38 -7.955 -6.252 -2.924 1.00 45.23 H new ATOM 0 HG23 ILE A 38 -6.763 -7.498 -2.481 1.00 45.23 H new ATOM 0 HD11 ILE A 38 -4.742 -8.594 -5.993 1.00 51.13 H new ATOM 0 HD12 ILE A 38 -5.888 -7.300 -6.418 1.00 51.13 H new ATOM 0 HD13 ILE A 38 -5.030 -7.252 -4.859 1.00 51.13 H new ATOM 594 N GLU A 39 -10.081 -7.512 -2.083 1.00 40.30 N ATOM 595 CA GLU A 39 -11.106 -6.669 -1.560 1.00 14.04 C ATOM 596 C GLU A 39 -10.535 -5.758 -0.490 1.00 41.21 C ATOM 597 O GLU A 39 -9.438 -5.997 0.026 1.00 21.32 O ATOM 598 CB GLU A 39 -12.267 -7.512 -1.030 1.00 54.25 C ATOM 599 CG GLU A 39 -11.856 -8.596 -0.049 1.00 62.32 C ATOM 600 CD GLU A 39 -13.025 -9.406 0.415 1.00 52.42 C ATOM 601 OE1 GLU A 39 -13.386 -10.399 -0.266 1.00 33.11 O ATOM 602 OE2 GLU A 39 -13.622 -9.058 1.455 1.00 63.01 O ATOM 0 H GLU A 39 -9.433 -7.869 -1.380 1.00 40.30 H new ATOM 0 HA GLU A 39 -11.497 -6.038 -2.358 1.00 14.04 H new ATOM 0 HB2 GLU A 39 -12.987 -6.853 -0.545 1.00 54.25 H new ATOM 0 HB3 GLU A 39 -12.778 -7.976 -1.873 1.00 54.25 H new ATOM 0 HG2 GLU A 39 -11.124 -9.253 -0.520 1.00 62.32 H new ATOM 0 HG3 GLU A 39 -11.367 -8.139 0.812 1.00 62.32 H new ATOM 609 N VAL A 40 -11.238 -4.722 -0.181 1.00 11.43 N ATOM 610 CA VAL A 40 -10.797 -3.777 0.821 1.00 72.04 C ATOM 611 C VAL A 40 -11.278 -4.216 2.210 1.00 60.25 C ATOM 612 O VAL A 40 -12.344 -4.813 2.344 1.00 52.43 O ATOM 613 CB VAL A 40 -11.299 -2.329 0.490 1.00 71.44 C ATOM 614 CG1 VAL A 40 -12.814 -2.246 0.495 1.00 50.24 C ATOM 615 CG2 VAL A 40 -10.704 -1.293 1.432 1.00 73.20 C ATOM 0 H VAL A 40 -12.136 -4.495 -0.608 1.00 11.43 H new ATOM 0 HA VAL A 40 -9.707 -3.758 0.819 1.00 72.04 H new ATOM 0 HB VAL A 40 -10.952 -2.102 -0.518 1.00 71.44 H new ATOM 0 HG11 VAL A 40 -13.123 -1.227 0.261 1.00 50.24 H new ATOM 0 HG12 VAL A 40 -13.218 -2.928 -0.253 1.00 50.24 H new ATOM 0 HG13 VAL A 40 -13.190 -2.523 1.480 1.00 50.24 H new ATOM 0 HG21 VAL A 40 -11.078 -0.304 1.168 1.00 73.20 H new ATOM 0 HG22 VAL A 40 -10.990 -1.527 2.457 1.00 73.20 H new ATOM 0 HG23 VAL A 40 -9.617 -1.305 1.347 1.00 73.20 H new ATOM 625 N THR A 41 -10.468 -3.987 3.209 1.00 43.32 N ATOM 626 CA THR A 41 -10.846 -4.262 4.565 1.00 14.25 C ATOM 627 C THR A 41 -11.462 -2.997 5.160 1.00 24.31 C ATOM 628 O THR A 41 -12.576 -3.011 5.696 1.00 62.34 O ATOM 629 CB THR A 41 -9.605 -4.650 5.405 1.00 31.41 C ATOM 630 OG1 THR A 41 -8.944 -5.776 4.816 1.00 72.34 O ATOM 631 CG2 THR A 41 -9.991 -4.981 6.836 1.00 64.23 C ATOM 0 H THR A 41 -9.528 -3.605 3.103 1.00 43.32 H new ATOM 0 HA THR A 41 -11.557 -5.088 4.579 1.00 14.25 H new ATOM 0 HB THR A 41 -8.930 -3.794 5.418 1.00 31.41 H new ATOM 0 HG1 THR A 41 -9.508 -6.153 4.109 1.00 72.34 H new ATOM 0 HG21 THR A 41 -9.098 -5.250 7.401 1.00 64.23 H new ATOM 0 HG22 THR A 41 -10.464 -4.113 7.295 1.00 64.23 H new ATOM 0 HG23 THR A 41 -10.689 -5.818 6.840 1.00 64.23 H new ATOM 639 N GLU A 42 -10.739 -1.905 5.020 1.00 63.45 N ATOM 640 CA GLU A 42 -11.117 -0.651 5.607 1.00 13.03 C ATOM 641 C GLU A 42 -10.436 0.484 4.870 1.00 2.40 C ATOM 642 O GLU A 42 -9.306 0.330 4.374 1.00 44.50 O ATOM 643 CB GLU A 42 -10.709 -0.655 7.085 1.00 31.24 C ATOM 644 CG GLU A 42 -9.241 -0.999 7.294 1.00 21.24 C ATOM 645 CD GLU A 42 -8.885 -1.209 8.723 1.00 70.24 C ATOM 646 OE1 GLU A 42 -9.301 -2.229 9.306 1.00 35.52 O ATOM 647 OE2 GLU A 42 -8.186 -0.360 9.323 1.00 72.12 O ATOM 0 H GLU A 42 -9.868 -1.870 4.491 1.00 63.45 H new ATOM 0 HA GLU A 42 -12.195 -0.511 5.532 1.00 13.03 H new ATOM 0 HB2 GLU A 42 -10.912 0.326 7.515 1.00 31.24 H new ATOM 0 HB3 GLU A 42 -11.326 -1.374 7.625 1.00 31.24 H new ATOM 0 HG2 GLU A 42 -9.002 -1.901 6.731 1.00 21.24 H new ATOM 0 HG3 GLU A 42 -8.625 -0.197 6.887 1.00 21.24 H new ATOM 654 N VAL A 43 -11.112 1.580 4.763 1.00 55.22 N ATOM 655 CA VAL A 43 -10.565 2.745 4.145 1.00 61.52 C ATOM 656 C VAL A 43 -10.639 3.913 5.131 1.00 13.42 C ATOM 657 O VAL A 43 -11.714 4.254 5.642 1.00 33.03 O ATOM 658 CB VAL A 43 -11.253 3.054 2.772 1.00 65.24 C ATOM 659 CG1 VAL A 43 -12.762 3.181 2.901 1.00 34.34 C ATOM 660 CG2 VAL A 43 -10.659 4.290 2.125 1.00 41.23 C ATOM 0 H VAL A 43 -12.066 1.694 5.104 1.00 55.22 H new ATOM 0 HA VAL A 43 -9.516 2.571 3.903 1.00 61.52 H new ATOM 0 HB VAL A 43 -11.056 2.201 2.122 1.00 65.24 H new ATOM 0 HG11 VAL A 43 -13.194 3.395 1.923 1.00 34.34 H new ATOM 0 HG12 VAL A 43 -13.174 2.247 3.283 1.00 34.34 H new ATOM 0 HG13 VAL A 43 -13.001 3.992 3.589 1.00 34.34 H new ATOM 0 HG21 VAL A 43 -11.157 4.478 1.174 1.00 41.23 H new ATOM 0 HG22 VAL A 43 -10.798 5.148 2.783 1.00 41.23 H new ATOM 0 HG23 VAL A 43 -9.594 4.134 1.952 1.00 41.23 H new ATOM 670 N GLY A 44 -9.503 4.490 5.421 1.00 41.31 N ATOM 671 CA GLY A 44 -9.439 5.515 6.425 1.00 72.22 C ATOM 672 C GLY A 44 -9.123 6.858 5.850 1.00 23.22 C ATOM 673 O GLY A 44 -8.486 6.955 4.786 1.00 12.44 O ATOM 0 H GLY A 44 -8.612 4.268 4.977 1.00 41.31 H new ATOM 0 HA2 GLY A 44 -10.392 5.564 6.952 1.00 72.22 H new ATOM 0 HA3 GLY A 44 -8.681 5.251 7.162 1.00 72.22 H new ATOM 677 N GLU A 45 -9.512 7.880 6.558 1.00 4.24 N ATOM 678 CA GLU A 45 -9.357 9.236 6.112 1.00 41.12 C ATOM 679 C GLU A 45 -8.078 9.899 6.648 1.00 13.33 C ATOM 680 O GLU A 45 -7.223 9.232 7.236 1.00 15.35 O ATOM 681 CB GLU A 45 -10.646 10.065 6.363 1.00 13.01 C ATOM 682 CG GLU A 45 -11.238 9.983 7.769 1.00 24.43 C ATOM 683 CD GLU A 45 -10.302 10.455 8.834 1.00 44.03 C ATOM 684 OE1 GLU A 45 -10.065 11.674 8.942 1.00 22.52 O ATOM 685 OE2 GLU A 45 -9.776 9.627 9.575 1.00 31.43 O ATOM 0 H GLU A 45 -9.952 7.794 7.474 1.00 4.24 H new ATOM 0 HA GLU A 45 -9.218 9.209 5.031 1.00 41.12 H new ATOM 0 HB2 GLU A 45 -10.429 11.110 6.143 1.00 13.01 H new ATOM 0 HB3 GLU A 45 -11.406 9.741 5.652 1.00 13.01 H new ATOM 0 HG2 GLU A 45 -12.150 10.579 7.807 1.00 24.43 H new ATOM 0 HG3 GLU A 45 -11.522 8.951 7.976 1.00 24.43 H new ATOM 692 N ARG A 46 -7.992 11.215 6.469 1.00 41.23 N ATOM 693 CA ARG A 46 -6.770 12.020 6.701 1.00 4.51 C ATOM 694 C ARG A 46 -6.218 11.928 8.127 1.00 20.21 C ATOM 695 O ARG A 46 -5.022 12.143 8.338 1.00 35.14 O ATOM 696 CB ARG A 46 -6.985 13.515 6.349 1.00 35.40 C ATOM 697 CG ARG A 46 -7.395 13.852 4.900 1.00 12.04 C ATOM 698 CD ARG A 46 -8.822 13.419 4.558 1.00 1.34 C ATOM 699 NE ARG A 46 -9.811 13.967 5.504 1.00 44.51 N ATOM 700 CZ ARG A 46 -11.140 13.720 5.498 1.00 25.13 C ATOM 701 NH1 ARG A 46 -11.682 12.905 4.609 1.00 73.54 N ATOM 702 NH2 ARG A 46 -11.913 14.301 6.392 1.00 64.14 N ATOM 0 H ARG A 46 -8.783 11.775 6.151 1.00 41.23 H new ATOM 0 HA ARG A 46 -6.032 11.579 6.031 1.00 4.51 H new ATOM 0 HB2 ARG A 46 -7.750 13.911 7.016 1.00 35.40 H new ATOM 0 HB3 ARG A 46 -6.061 14.049 6.570 1.00 35.40 H new ATOM 0 HG2 ARG A 46 -7.302 14.927 4.744 1.00 12.04 H new ATOM 0 HG3 ARG A 46 -6.701 13.369 4.212 1.00 12.04 H new ATOM 0 HD2 ARG A 46 -9.067 13.747 3.548 1.00 1.34 H new ATOM 0 HD3 ARG A 46 -8.881 12.331 4.563 1.00 1.34 H new ATOM 0 HE ARG A 46 -9.460 14.591 6.231 1.00 44.51 H new ATOM 0 HH11 ARG A 46 -11.095 12.449 3.910 1.00 73.54 H new ATOM 0 HH12 ARG A 46 -12.687 12.732 4.622 1.00 73.54 H new ATOM 0 HH21 ARG A 46 -11.508 14.933 7.083 1.00 64.14 H new ATOM 0 HH22 ARG A 46 -12.917 14.119 6.393 1.00 64.14 H new ATOM 716 N SER A 47 -7.061 11.590 9.080 1.00 31.34 N ATOM 717 CA SER A 47 -6.658 11.559 10.473 1.00 34.41 C ATOM 718 C SER A 47 -5.788 10.339 10.806 1.00 1.34 C ATOM 719 O SER A 47 -5.211 10.254 11.892 1.00 41.24 O ATOM 720 CB SER A 47 -7.887 11.600 11.364 1.00 21.03 C ATOM 721 OG SER A 47 -8.743 12.668 10.973 1.00 2.50 O ATOM 0 H SER A 47 -8.034 11.332 8.916 1.00 31.34 H new ATOM 0 HA SER A 47 -6.044 12.440 10.658 1.00 34.41 H new ATOM 0 HB2 SER A 47 -8.423 10.653 11.300 1.00 21.03 H new ATOM 0 HB3 SER A 47 -7.587 11.727 12.404 1.00 21.03 H new ATOM 0 HG SER A 47 -9.404 12.339 10.328 1.00 2.50 H new ATOM 727 N VAL A 48 -5.704 9.390 9.906 1.00 31.11 N ATOM 728 CA VAL A 48 -4.854 8.258 10.152 1.00 21.53 C ATOM 729 C VAL A 48 -3.505 8.484 9.505 1.00 20.51 C ATOM 730 O VAL A 48 -3.367 8.470 8.280 1.00 33.21 O ATOM 731 CB VAL A 48 -5.477 6.922 9.699 1.00 4.44 C ATOM 732 CG1 VAL A 48 -4.533 5.761 10.003 1.00 21.42 C ATOM 733 CG2 VAL A 48 -6.804 6.715 10.408 1.00 12.13 C ATOM 0 H VAL A 48 -6.203 9.379 9.016 1.00 31.11 H new ATOM 0 HA VAL A 48 -4.728 8.172 11.231 1.00 21.53 H new ATOM 0 HB VAL A 48 -5.644 6.956 8.622 1.00 4.44 H new ATOM 0 HG11 VAL A 48 -4.989 4.826 9.677 1.00 21.42 H new ATOM 0 HG12 VAL A 48 -3.592 5.910 9.474 1.00 21.42 H new ATOM 0 HG13 VAL A 48 -4.344 5.717 11.076 1.00 21.42 H new ATOM 0 HG21 VAL A 48 -7.244 5.771 10.088 1.00 12.13 H new ATOM 0 HG22 VAL A 48 -6.641 6.692 11.486 1.00 12.13 H new ATOM 0 HG23 VAL A 48 -7.480 7.533 10.160 1.00 12.13 H new ATOM 743 N ASN A 49 -2.541 8.744 10.333 1.00 25.12 N ATOM 744 CA ASN A 49 -1.198 9.007 9.915 1.00 71.41 C ATOM 745 C ASN A 49 -0.277 7.823 10.097 1.00 31.51 C ATOM 746 O ASN A 49 -0.707 6.745 10.530 1.00 13.33 O ATOM 747 CB ASN A 49 -0.634 10.319 10.469 1.00 44.41 C ATOM 748 CG ASN A 49 -1.198 11.520 9.738 1.00 33.43 C ATOM 749 OD1 ASN A 49 -0.653 11.938 8.699 1.00 43.14 O ATOM 750 ND2 ASN A 49 -2.253 12.097 10.249 1.00 31.23 N ATOM 0 H ASN A 49 -2.669 8.780 11.344 1.00 25.12 H new ATOM 0 HA ASN A 49 -1.253 9.161 8.837 1.00 71.41 H new ATOM 0 HB2 ASN A 49 -0.867 10.396 11.531 1.00 44.41 H new ATOM 0 HB3 ASN A 49 0.452 10.315 10.380 1.00 44.41 H new ATOM 0 HD21 ASN A 49 -2.656 12.917 9.795 1.00 31.23 H new ATOM 0 HD22 ASN A 49 -2.674 11.728 11.102 1.00 31.23 H new ATOM 757 N TYR A 50 0.976 8.030 9.719 1.00 55.51 N ATOM 758 CA TYR A 50 2.018 7.013 9.600 1.00 24.25 C ATOM 759 C TYR A 50 2.092 6.132 10.841 1.00 61.24 C ATOM 760 O TYR A 50 2.016 4.910 10.746 1.00 24.14 O ATOM 761 CB TYR A 50 3.378 7.725 9.372 1.00 55.41 C ATOM 762 CG TYR A 50 3.272 8.879 8.384 1.00 62.02 C ATOM 763 CD1 TYR A 50 3.041 8.645 7.058 1.00 32.11 C ATOM 764 CD2 TYR A 50 3.353 10.203 8.805 1.00 61.53 C ATOM 765 CE1 TYR A 50 2.881 9.679 6.161 1.00 4.05 C ATOM 766 CE2 TYR A 50 3.210 11.243 7.916 1.00 32.12 C ATOM 767 CZ TYR A 50 2.967 10.972 6.593 1.00 0.34 C ATOM 768 OH TYR A 50 2.778 12.001 5.699 1.00 4.50 O ATOM 0 H TYR A 50 1.314 8.960 9.473 1.00 55.51 H new ATOM 0 HA TYR A 50 1.780 6.364 8.757 1.00 24.25 H new ATOM 0 HB2 TYR A 50 3.753 8.099 10.325 1.00 55.41 H new ATOM 0 HB3 TYR A 50 4.106 7.002 9.005 1.00 55.41 H new ATOM 0 HD1 TYR A 50 2.982 7.626 6.705 1.00 32.11 H new ATOM 0 HD2 TYR A 50 3.531 10.418 9.848 1.00 61.53 H new ATOM 0 HE1 TYR A 50 2.688 9.468 5.120 1.00 4.05 H new ATOM 0 HE2 TYR A 50 3.288 12.265 8.257 1.00 32.12 H new ATOM 0 HH TYR A 50 3.648 12.349 5.412 1.00 4.50 H new ATOM 778 N THR A 51 2.201 6.743 11.989 1.00 63.41 N ATOM 779 CA THR A 51 2.306 6.001 13.209 1.00 24.51 C ATOM 780 C THR A 51 0.946 5.359 13.599 1.00 13.43 C ATOM 781 O THR A 51 0.903 4.223 14.085 1.00 30.33 O ATOM 782 CB THR A 51 2.814 6.902 14.330 1.00 40.20 C ATOM 783 OG1 THR A 51 3.878 7.734 13.814 1.00 42.35 O ATOM 784 CG2 THR A 51 3.364 6.051 15.447 1.00 31.12 C ATOM 0 H THR A 51 2.219 7.757 12.102 1.00 63.41 H new ATOM 0 HA THR A 51 3.021 5.193 13.054 1.00 24.51 H new ATOM 0 HB THR A 51 1.997 7.519 14.704 1.00 40.20 H new ATOM 0 HG1 THR A 51 4.211 8.319 14.527 1.00 42.35 H new ATOM 0 HG21 THR A 51 3.727 6.694 16.249 1.00 31.12 H new ATOM 0 HG22 THR A 51 2.577 5.402 15.831 1.00 31.12 H new ATOM 0 HG23 THR A 51 4.185 5.442 15.070 1.00 31.12 H new ATOM 792 N ASP A 52 -0.151 6.078 13.317 1.00 65.44 N ATOM 793 CA ASP A 52 -1.527 5.629 13.648 1.00 4.24 C ATOM 794 C ASP A 52 -1.838 4.301 12.997 1.00 63.14 C ATOM 795 O ASP A 52 -2.471 3.431 13.597 1.00 52.22 O ATOM 796 CB ASP A 52 -2.613 6.642 13.203 1.00 63.13 C ATOM 797 CG ASP A 52 -2.526 7.993 13.857 1.00 42.23 C ATOM 798 OD1 ASP A 52 -2.861 8.124 15.043 1.00 23.23 O ATOM 799 OD2 ASP A 52 -2.131 8.966 13.184 1.00 41.42 O ATOM 0 H ASP A 52 -0.118 6.986 12.854 1.00 65.44 H new ATOM 0 HA ASP A 52 -1.551 5.540 14.734 1.00 4.24 H new ATOM 0 HB2 ASP A 52 -2.546 6.773 12.123 1.00 63.13 H new ATOM 0 HB3 ASP A 52 -3.594 6.216 13.413 1.00 63.13 H new ATOM 804 N LEU A 53 -1.418 4.140 11.766 1.00 43.01 N ATOM 805 CA LEU A 53 -1.669 2.898 11.071 1.00 0.21 C ATOM 806 C LEU A 53 -0.685 1.797 11.466 1.00 43.22 C ATOM 807 O LEU A 53 -1.007 0.618 11.395 1.00 5.11 O ATOM 808 CB LEU A 53 -1.820 3.096 9.535 1.00 51.24 C ATOM 809 CG LEU A 53 -0.675 3.773 8.752 1.00 75.23 C ATOM 810 CD1 LEU A 53 0.522 2.850 8.563 1.00 33.13 C ATOM 811 CD2 LEU A 53 -1.184 4.266 7.414 1.00 11.45 C ATOM 0 H LEU A 53 -0.908 4.841 11.229 1.00 43.01 H new ATOM 0 HA LEU A 53 -2.642 2.538 11.406 1.00 0.21 H new ATOM 0 HB2 LEU A 53 -1.987 2.114 9.091 1.00 51.24 H new ATOM 0 HB3 LEU A 53 -2.725 3.680 9.366 1.00 51.24 H new ATOM 0 HG LEU A 53 -0.330 4.622 9.343 1.00 75.23 H new ATOM 0 HD11 LEU A 53 1.300 3.373 8.007 1.00 33.13 H new ATOM 0 HD12 LEU A 53 0.910 2.553 9.537 1.00 33.13 H new ATOM 0 HD13 LEU A 53 0.214 1.963 8.009 1.00 33.13 H new ATOM 0 HD21 LEU A 53 -0.370 4.742 6.868 1.00 11.45 H new ATOM 0 HD22 LEU A 53 -1.564 3.423 6.836 1.00 11.45 H new ATOM 0 HD23 LEU A 53 -1.985 4.988 7.573 1.00 11.45 H new ATOM 823 N LYS A 54 0.495 2.182 11.928 1.00 34.13 N ATOM 824 CA LYS A 54 1.494 1.202 12.331 1.00 44.23 C ATOM 825 C LYS A 54 1.215 0.630 13.704 1.00 75.04 C ATOM 826 O LYS A 54 1.614 -0.489 14.003 1.00 53.34 O ATOM 827 CB LYS A 54 2.914 1.741 12.268 1.00 25.33 C ATOM 828 CG LYS A 54 3.425 1.992 10.861 1.00 42.31 C ATOM 829 CD LYS A 54 4.903 2.354 10.858 1.00 54.21 C ATOM 830 CE LYS A 54 5.752 1.218 11.427 1.00 51.23 C ATOM 831 NZ LYS A 54 7.181 1.533 11.394 1.00 0.11 N ATOM 0 H LYS A 54 0.783 3.155 12.033 1.00 34.13 H new ATOM 0 HA LYS A 54 1.415 0.397 11.601 1.00 44.23 H new ATOM 0 HB2 LYS A 54 2.962 2.673 12.831 1.00 25.33 H new ATOM 0 HB3 LYS A 54 3.580 1.035 12.763 1.00 25.33 H new ATOM 0 HG2 LYS A 54 3.267 1.102 10.252 1.00 42.31 H new ATOM 0 HG3 LYS A 54 2.851 2.798 10.403 1.00 42.31 H new ATOM 0 HD2 LYS A 54 5.223 2.576 9.840 1.00 54.21 H new ATOM 0 HD3 LYS A 54 5.060 3.258 11.446 1.00 54.21 H new ATOM 0 HE2 LYS A 54 5.448 1.018 12.455 1.00 51.23 H new ATOM 0 HE3 LYS A 54 5.568 0.307 10.857 1.00 51.23 H new ATOM 0 HZ1 LYS A 54 7.691 0.902 12.045 1.00 0.11 H new ATOM 0 HZ2 LYS A 54 7.544 1.400 10.428 1.00 0.11 H new ATOM 0 HZ3 LYS A 54 7.326 2.521 11.685 1.00 0.11 H new ATOM 845 N GLU A 55 0.550 1.387 14.547 1.00 73.44 N ATOM 846 CA GLU A 55 0.190 0.881 15.860 1.00 51.13 C ATOM 847 C GLU A 55 -0.998 -0.077 15.746 1.00 53.45 C ATOM 848 O GLU A 55 -1.166 -0.995 16.548 1.00 11.25 O ATOM 849 CB GLU A 55 -0.100 2.020 16.843 1.00 61.04 C ATOM 850 CG GLU A 55 -1.215 2.954 16.430 1.00 31.32 C ATOM 851 CD GLU A 55 -1.465 4.034 17.442 1.00 43.44 C ATOM 852 OE1 GLU A 55 -2.234 3.796 18.402 1.00 70.23 O ATOM 853 OE2 GLU A 55 -0.915 5.147 17.302 1.00 11.32 O ATOM 0 H GLU A 55 0.249 2.343 14.355 1.00 73.44 H new ATOM 0 HA GLU A 55 1.041 0.329 16.259 1.00 51.13 H new ATOM 0 HB2 GLU A 55 -0.349 1.588 17.812 1.00 61.04 H new ATOM 0 HB3 GLU A 55 0.811 2.603 16.978 1.00 61.04 H new ATOM 0 HG2 GLU A 55 -0.967 3.409 15.471 1.00 31.32 H new ATOM 0 HG3 GLU A 55 -2.130 2.380 16.283 1.00 31.32 H new ATOM 860 N LYS A 56 -1.748 0.090 14.679 1.00 53.52 N ATOM 861 CA LYS A 56 -2.935 -0.691 14.395 1.00 54.53 C ATOM 862 C LYS A 56 -2.528 -1.871 13.448 1.00 72.33 C ATOM 863 O LYS A 56 -3.317 -2.429 12.711 1.00 65.14 O ATOM 864 CB LYS A 56 -3.992 0.300 13.797 1.00 45.40 C ATOM 865 CG LYS A 56 -5.437 -0.198 13.691 1.00 43.34 C ATOM 866 CD LYS A 56 -5.714 -0.880 12.375 1.00 1.14 C ATOM 867 CE LYS A 56 -7.061 -1.541 12.362 1.00 75.24 C ATOM 868 NZ LYS A 56 -7.276 -2.254 11.102 1.00 22.15 N ATOM 0 H LYS A 56 -1.545 0.790 13.966 1.00 53.52 H new ATOM 0 HA LYS A 56 -3.385 -1.156 15.273 1.00 54.53 H new ATOM 0 HB2 LYS A 56 -3.990 1.204 14.406 1.00 45.40 H new ATOM 0 HB3 LYS A 56 -3.660 0.587 12.799 1.00 45.40 H new ATOM 0 HG2 LYS A 56 -5.640 -0.892 14.507 1.00 43.34 H new ATOM 0 HG3 LYS A 56 -6.119 0.644 13.811 1.00 43.34 H new ATOM 0 HD2 LYS A 56 -5.660 -0.149 11.568 1.00 1.14 H new ATOM 0 HD3 LYS A 56 -4.942 -1.625 12.182 1.00 1.14 H new ATOM 0 HE2 LYS A 56 -7.138 -2.237 13.197 1.00 75.24 H new ATOM 0 HE3 LYS A 56 -7.841 -0.792 12.499 1.00 75.24 H new ATOM 0 HZ1 LYS A 56 -8.287 -2.233 10.859 1.00 22.15 H new ATOM 0 HZ2 LYS A 56 -6.729 -1.795 10.346 1.00 22.15 H new ATOM 0 HZ3 LYS A 56 -6.965 -3.241 11.204 1.00 22.15 H new ATOM 882 N PHE A 57 -1.273 -2.257 13.562 1.00 32.13 N ATOM 883 CA PHE A 57 -0.663 -3.327 12.772 1.00 23.20 C ATOM 884 C PHE A 57 -1.383 -4.688 12.998 1.00 52.30 C ATOM 885 O PHE A 57 -1.927 -4.950 14.086 1.00 65.51 O ATOM 886 CB PHE A 57 0.824 -3.409 13.157 1.00 54.20 C ATOM 887 CG PHE A 57 1.669 -4.344 12.352 1.00 60.15 C ATOM 888 CD1 PHE A 57 2.078 -4.002 11.080 1.00 33.35 C ATOM 889 CD2 PHE A 57 2.078 -5.550 12.880 1.00 62.03 C ATOM 890 CE1 PHE A 57 2.878 -4.851 10.351 1.00 44.04 C ATOM 891 CE2 PHE A 57 2.872 -6.402 12.156 1.00 21.15 C ATOM 892 CZ PHE A 57 3.276 -6.054 10.886 1.00 62.00 C ATOM 0 H PHE A 57 -0.625 -1.828 14.223 1.00 32.13 H new ATOM 0 HA PHE A 57 -0.762 -3.104 11.710 1.00 23.20 H new ATOM 0 HB2 PHE A 57 1.252 -2.410 13.080 1.00 54.20 H new ATOM 0 HB3 PHE A 57 0.890 -3.705 14.204 1.00 54.20 H new ATOM 0 HD1 PHE A 57 1.768 -3.060 10.653 1.00 33.35 H new ATOM 0 HD2 PHE A 57 1.769 -5.827 13.877 1.00 62.03 H new ATOM 0 HE1 PHE A 57 3.194 -4.572 9.357 1.00 44.04 H new ATOM 0 HE2 PHE A 57 3.180 -7.346 12.581 1.00 21.15 H new ATOM 0 HZ PHE A 57 3.902 -6.722 10.313 1.00 62.00 H new ATOM 902 N SER A 58 -1.397 -5.515 11.961 1.00 62.54 N ATOM 903 CA SER A 58 -2.037 -6.829 11.958 1.00 13.22 C ATOM 904 C SER A 58 -1.382 -7.818 12.951 1.00 2.23 C ATOM 905 O SER A 58 -0.401 -7.485 13.627 1.00 31.23 O ATOM 906 CB SER A 58 -1.949 -7.372 10.543 1.00 32.14 C ATOM 907 OG SER A 58 -2.431 -6.401 9.633 1.00 25.43 O ATOM 0 H SER A 58 -0.952 -5.286 11.072 1.00 62.54 H new ATOM 0 HA SER A 58 -3.072 -6.719 12.282 1.00 13.22 H new ATOM 0 HB2 SER A 58 -0.917 -7.629 10.304 1.00 32.14 H new ATOM 0 HB3 SER A 58 -2.533 -8.288 10.457 1.00 32.14 H new ATOM 0 HG SER A 58 -2.372 -6.751 8.720 1.00 25.43 H new ATOM 913 N THR A 59 -1.926 -9.029 13.029 1.00 43.20 N ATOM 914 CA THR A 59 -1.416 -10.029 13.936 1.00 70.15 C ATOM 915 C THR A 59 -0.008 -10.508 13.516 1.00 34.42 C ATOM 916 O THR A 59 0.928 -10.488 14.341 1.00 31.35 O ATOM 917 CB THR A 59 -2.429 -11.210 14.169 1.00 13.14 C ATOM 918 OG1 THR A 59 -1.931 -12.128 15.155 1.00 13.25 O ATOM 919 CG2 THR A 59 -2.751 -11.969 12.892 1.00 74.21 C ATOM 0 H THR A 59 -2.722 -9.334 12.469 1.00 43.20 H new ATOM 0 HA THR A 59 -1.304 -9.553 14.910 1.00 70.15 H new ATOM 0 HB THR A 59 -3.351 -10.751 14.526 1.00 13.14 H new ATOM 0 HG1 THR A 59 -2.578 -12.852 15.284 1.00 13.25 H new ATOM 0 HG21 THR A 59 -3.454 -12.772 13.113 1.00 74.21 H new ATOM 0 HG22 THR A 59 -3.195 -11.288 12.166 1.00 74.21 H new ATOM 0 HG23 THR A 59 -1.835 -12.392 12.480 1.00 74.21 H new ATOM 927 N GLU A 60 0.168 -10.918 12.268 1.00 53.22 N ATOM 928 CA GLU A 60 1.485 -11.248 11.817 1.00 53.23 C ATOM 929 C GLU A 60 1.956 -10.204 10.817 1.00 5.40 C ATOM 930 O GLU A 60 2.771 -9.369 11.159 1.00 33.20 O ATOM 931 CB GLU A 60 1.645 -12.742 11.321 1.00 71.32 C ATOM 932 CG GLU A 60 0.881 -13.174 10.054 1.00 54.54 C ATOM 933 CD GLU A 60 -0.608 -13.013 10.154 1.00 14.22 C ATOM 934 OE1 GLU A 60 -1.096 -11.900 9.891 1.00 52.35 O ATOM 935 OE2 GLU A 60 -1.311 -13.995 10.502 1.00 51.52 O ATOM 0 H GLU A 60 -0.573 -11.024 11.575 1.00 53.22 H new ATOM 0 HA GLU A 60 2.153 -11.213 12.677 1.00 53.23 H new ATOM 0 HB2 GLU A 60 2.706 -12.924 11.148 1.00 71.32 H new ATOM 0 HB3 GLU A 60 1.337 -13.398 12.135 1.00 71.32 H new ATOM 0 HG2 GLU A 60 1.243 -12.591 9.207 1.00 54.54 H new ATOM 0 HG3 GLU A 60 1.110 -14.219 9.843 1.00 54.54 H new ATOM 942 N LYS A 61 1.368 -10.183 9.639 1.00 5.23 N ATOM 943 CA LYS A 61 1.700 -9.217 8.600 1.00 74.01 C ATOM 944 C LYS A 61 0.468 -8.918 7.755 1.00 32.22 C ATOM 945 O LYS A 61 -0.313 -9.825 7.462 1.00 72.30 O ATOM 946 CB LYS A 61 2.864 -9.655 7.661 1.00 12.32 C ATOM 947 CG LYS A 61 4.289 -9.219 8.065 1.00 74.24 C ATOM 948 CD LYS A 61 4.890 -10.046 9.184 1.00 23.35 C ATOM 949 CE LYS A 61 6.217 -9.462 9.647 1.00 5.32 C ATOM 950 NZ LYS A 61 6.831 -10.251 10.743 1.00 34.13 N ATOM 0 H LYS A 61 0.637 -10.841 9.368 1.00 5.23 H new ATOM 0 HA LYS A 61 2.044 -8.328 9.128 1.00 74.01 H new ATOM 0 HB2 LYS A 61 2.850 -10.742 7.588 1.00 12.32 H new ATOM 0 HB3 LYS A 61 2.660 -9.266 6.664 1.00 12.32 H new ATOM 0 HG2 LYS A 61 4.938 -9.280 7.192 1.00 74.24 H new ATOM 0 HG3 LYS A 61 4.265 -8.173 8.372 1.00 74.24 H new ATOM 0 HD2 LYS A 61 4.195 -10.087 10.023 1.00 23.35 H new ATOM 0 HD3 LYS A 61 5.039 -11.070 8.843 1.00 23.35 H new ATOM 0 HE2 LYS A 61 6.906 -9.420 8.804 1.00 5.32 H new ATOM 0 HE3 LYS A 61 6.062 -8.437 9.984 1.00 5.32 H new ATOM 0 HZ1 LYS A 61 7.740 -9.823 11.012 1.00 34.13 H new ATOM 0 HZ2 LYS A 61 6.194 -10.257 11.565 1.00 34.13 H new ATOM 0 HZ3 LYS A 61 6.990 -11.227 10.421 1.00 34.13 H new ATOM 964 N PRO A 62 0.263 -7.651 7.383 1.00 31.52 N ATOM 965 CA PRO A 62 -0.858 -7.210 6.547 1.00 14.42 C ATOM 966 C PRO A 62 -0.694 -7.544 5.046 1.00 21.12 C ATOM 967 O PRO A 62 0.239 -8.230 4.622 1.00 63.14 O ATOM 968 CB PRO A 62 -0.900 -5.679 6.735 1.00 72.41 C ATOM 969 CG PRO A 62 0.115 -5.369 7.778 1.00 60.30 C ATOM 970 CD PRO A 62 1.092 -6.500 7.761 1.00 34.54 C ATOM 0 HA PRO A 62 -1.770 -7.724 6.848 1.00 14.42 H new ATOM 0 HB2 PRO A 62 -0.671 -5.164 5.802 1.00 72.41 H new ATOM 0 HB3 PRO A 62 -1.892 -5.350 7.045 1.00 72.41 H new ATOM 0 HG2 PRO A 62 0.612 -4.422 7.567 1.00 60.30 H new ATOM 0 HG3 PRO A 62 -0.352 -5.273 8.758 1.00 60.30 H new ATOM 0 HD2 PRO A 62 1.895 -6.328 7.044 1.00 34.54 H new ATOM 0 HD3 PRO A 62 1.560 -6.643 8.735 1.00 34.54 H new ATOM 978 N CYS A 63 -1.683 -7.138 4.316 1.00 12.23 N ATOM 979 CA CYS A 63 -1.770 -7.158 2.883 1.00 31.24 C ATOM 980 C CYS A 63 -1.443 -5.712 2.469 1.00 13.34 C ATOM 981 O CYS A 63 -1.113 -4.905 3.343 1.00 1.01 O ATOM 982 CB CYS A 63 -3.168 -7.627 2.429 1.00 32.41 C ATOM 983 SG CYS A 63 -3.423 -7.705 0.636 1.00 11.32 S ATOM 0 H CYS A 63 -2.525 -6.750 4.740 1.00 12.23 H new ATOM 0 HA CYS A 63 -1.084 -7.862 2.412 1.00 31.24 H new ATOM 0 HB2 CYS A 63 -3.354 -8.616 2.848 1.00 32.41 H new ATOM 0 HB3 CYS A 63 -3.913 -6.955 2.855 1.00 32.41 H new ATOM 0 HG CYS A 63 -4.675 -7.480 0.366 1.00 11.32 H new ATOM 989 N TYR A 64 -1.506 -5.344 1.210 1.00 24.15 N ATOM 990 CA TYR A 64 -0.986 -4.103 0.804 1.00 21.15 C ATOM 991 C TYR A 64 -2.014 -3.023 1.046 1.00 15.03 C ATOM 992 O TYR A 64 -3.214 -3.275 1.128 1.00 33.11 O ATOM 993 CB TYR A 64 -0.871 -4.109 -0.712 1.00 74.01 C ATOM 994 CG TYR A 64 -0.942 -5.421 -1.463 1.00 1.33 C ATOM 995 CD1 TYR A 64 0.164 -6.241 -1.614 1.00 2.11 C ATOM 996 CD2 TYR A 64 -2.123 -5.790 -2.094 1.00 35.12 C ATOM 997 CE1 TYR A 64 0.093 -7.384 -2.370 1.00 71.34 C ATOM 998 CE2 TYR A 64 -2.204 -6.941 -2.838 1.00 71.20 C ATOM 999 CZ TYR A 64 -1.094 -7.730 -2.979 1.00 12.03 C ATOM 1000 OH TYR A 64 -1.162 -8.866 -3.736 1.00 74.11 O ATOM 0 H TYR A 64 -1.918 -5.904 0.463 1.00 24.15 H new ATOM 0 HA TYR A 64 -0.047 -3.937 1.332 1.00 21.15 H new ATOM 0 HB2 TYR A 64 -1.662 -3.467 -1.101 1.00 74.01 H new ATOM 0 HB3 TYR A 64 0.078 -3.637 -0.969 1.00 74.01 H new ATOM 0 HD1 TYR A 64 1.093 -5.978 -1.131 1.00 2.11 H new ATOM 0 HD2 TYR A 64 -2.994 -5.159 -1.998 1.00 35.12 H new ATOM 0 HE1 TYR A 64 0.965 -8.011 -2.487 1.00 71.34 H new ATOM 0 HE2 TYR A 64 -3.135 -7.222 -3.308 1.00 71.20 H new ATOM 0 HH TYR A 64 -0.343 -9.391 -3.613 1.00 74.11 H new ATOM 1010 N VAL A 65 -1.503 -1.833 1.215 1.00 33.42 N ATOM 1011 CA VAL A 65 -2.269 -0.696 1.604 1.00 41.25 C ATOM 1012 C VAL A 65 -1.957 0.456 0.667 1.00 14.31 C ATOM 1013 O VAL A 65 -0.794 0.772 0.431 1.00 33.03 O ATOM 1014 CB VAL A 65 -1.908 -0.263 3.075 1.00 0.14 C ATOM 1015 CG1 VAL A 65 -2.707 0.954 3.522 1.00 74.24 C ATOM 1016 CG2 VAL A 65 -2.100 -1.412 4.065 1.00 12.41 C ATOM 0 H VAL A 65 -0.513 -1.630 1.080 1.00 33.42 H new ATOM 0 HA VAL A 65 -3.327 -0.953 1.557 1.00 41.25 H new ATOM 0 HB VAL A 65 -0.853 0.010 3.066 1.00 0.14 H new ATOM 0 HG11 VAL A 65 -2.427 1.219 4.542 1.00 74.24 H new ATOM 0 HG12 VAL A 65 -2.495 1.792 2.858 1.00 74.24 H new ATOM 0 HG13 VAL A 65 -3.772 0.723 3.486 1.00 74.24 H new ATOM 0 HG21 VAL A 65 -1.841 -1.075 5.069 1.00 12.41 H new ATOM 0 HG22 VAL A 65 -3.140 -1.737 4.048 1.00 12.41 H new ATOM 0 HG23 VAL A 65 -1.456 -2.245 3.785 1.00 12.41 H new ATOM 1026 N ALA A 66 -2.961 1.040 0.111 1.00 72.44 N ATOM 1027 CA ALA A 66 -2.779 2.223 -0.676 1.00 34.34 C ATOM 1028 C ALA A 66 -2.790 3.383 0.282 1.00 44.54 C ATOM 1029 O ALA A 66 -3.752 3.574 0.993 1.00 2.45 O ATOM 1030 CB ALA A 66 -3.876 2.348 -1.715 1.00 71.12 C ATOM 0 H ALA A 66 -3.926 0.719 0.184 1.00 72.44 H new ATOM 0 HA ALA A 66 -1.838 2.193 -1.225 1.00 34.34 H new ATOM 0 HB1 ALA A 66 -3.720 3.253 -2.302 1.00 71.12 H new ATOM 0 HB2 ALA A 66 -3.854 1.480 -2.374 1.00 71.12 H new ATOM 0 HB3 ALA A 66 -4.844 2.401 -1.217 1.00 71.12 H new ATOM 1036 N PHE A 67 -1.719 4.098 0.353 1.00 5.22 N ATOM 1037 CA PHE A 67 -1.593 5.162 1.307 1.00 13.14 C ATOM 1038 C PHE A 67 -0.925 6.387 0.681 1.00 43.03 C ATOM 1039 O PHE A 67 -0.037 6.267 -0.162 1.00 21.41 O ATOM 1040 CB PHE A 67 -0.805 4.609 2.516 1.00 63.44 C ATOM 1041 CG PHE A 67 -0.448 5.579 3.604 1.00 74.22 C ATOM 1042 CD1 PHE A 67 -1.413 6.323 4.261 1.00 72.32 C ATOM 1043 CD2 PHE A 67 0.866 5.736 3.972 1.00 23.14 C ATOM 1044 CE1 PHE A 67 -1.059 7.202 5.265 1.00 2.33 C ATOM 1045 CE2 PHE A 67 1.222 6.601 4.963 1.00 60.42 C ATOM 1046 CZ PHE A 67 0.257 7.338 5.616 1.00 73.42 C ATOM 0 H PHE A 67 -0.903 3.967 -0.245 1.00 5.22 H new ATOM 0 HA PHE A 67 -2.573 5.503 1.640 1.00 13.14 H new ATOM 0 HB2 PHE A 67 -1.390 3.803 2.960 1.00 63.44 H new ATOM 0 HB3 PHE A 67 0.118 4.165 2.143 1.00 63.44 H new ATOM 0 HD1 PHE A 67 -2.452 6.215 3.986 1.00 72.32 H new ATOM 0 HD2 PHE A 67 1.630 5.164 3.467 1.00 23.14 H new ATOM 0 HE1 PHE A 67 -1.818 7.780 5.772 1.00 2.33 H new ATOM 0 HE2 PHE A 67 2.261 6.709 5.237 1.00 60.42 H new ATOM 0 HZ PHE A 67 0.539 8.022 6.403 1.00 73.42 H new ATOM 1056 N ASP A 68 -1.402 7.543 1.042 1.00 14.01 N ATOM 1057 CA ASP A 68 -0.811 8.796 0.599 1.00 40.15 C ATOM 1058 C ASP A 68 0.237 9.212 1.598 1.00 43.23 C ATOM 1059 O ASP A 68 -0.003 9.165 2.804 1.00 22.41 O ATOM 1060 CB ASP A 68 -1.877 9.881 0.470 1.00 32.33 C ATOM 1061 CG ASP A 68 -1.301 11.262 0.195 1.00 22.03 C ATOM 1062 OD1 ASP A 68 -0.940 11.561 -0.956 1.00 44.34 O ATOM 1063 OD2 ASP A 68 -1.266 12.088 1.129 1.00 60.31 O ATOM 0 H ASP A 68 -2.212 7.656 1.652 1.00 14.01 H new ATOM 0 HA ASP A 68 -0.357 8.657 -0.382 1.00 40.15 H new ATOM 0 HB2 ASP A 68 -2.562 9.614 -0.335 1.00 32.33 H new ATOM 0 HB3 ASP A 68 -2.463 9.916 1.388 1.00 32.33 H new ATOM 1068 N PHE A 69 1.381 9.594 1.125 1.00 33.25 N ATOM 1069 CA PHE A 69 2.454 9.946 2.001 1.00 64.31 C ATOM 1070 C PHE A 69 2.839 11.395 1.757 1.00 75.11 C ATOM 1071 O PHE A 69 3.024 11.813 0.612 1.00 33.44 O ATOM 1072 CB PHE A 69 3.656 9.021 1.746 1.00 54.11 C ATOM 1073 CG PHE A 69 4.635 8.915 2.891 1.00 74.21 C ATOM 1074 CD1 PHE A 69 5.574 9.900 3.135 1.00 64.44 C ATOM 1075 CD2 PHE A 69 4.604 7.810 3.726 1.00 35.43 C ATOM 1076 CE1 PHE A 69 6.464 9.786 4.193 1.00 32.04 C ATOM 1077 CE2 PHE A 69 5.491 7.692 4.779 1.00 4.11 C ATOM 1078 CZ PHE A 69 6.419 8.682 5.012 1.00 35.23 C ATOM 0 H PHE A 69 1.597 9.670 0.131 1.00 33.25 H new ATOM 0 HA PHE A 69 2.140 9.829 3.038 1.00 64.31 H new ATOM 0 HB2 PHE A 69 3.284 8.023 1.512 1.00 54.11 H new ATOM 0 HB3 PHE A 69 4.189 9.377 0.864 1.00 54.11 H new ATOM 0 HD1 PHE A 69 5.615 10.768 2.494 1.00 64.44 H new ATOM 0 HD2 PHE A 69 3.877 7.031 3.552 1.00 35.43 H new ATOM 0 HE1 PHE A 69 7.192 10.563 4.373 1.00 32.04 H new ATOM 0 HE2 PHE A 69 5.456 6.823 5.419 1.00 4.11 H new ATOM 0 HZ PHE A 69 7.111 8.592 5.837 1.00 35.23 H new ATOM 1088 N GLU A 70 2.929 12.150 2.817 1.00 65.11 N ATOM 1089 CA GLU A 70 3.329 13.528 2.750 1.00 4.02 C ATOM 1090 C GLU A 70 4.721 13.627 3.333 1.00 61.42 C ATOM 1091 O GLU A 70 4.920 13.381 4.536 1.00 64.04 O ATOM 1092 CB GLU A 70 2.362 14.391 3.553 1.00 64.41 C ATOM 1093 CG GLU A 70 2.722 15.864 3.603 1.00 63.31 C ATOM 1094 CD GLU A 70 1.823 16.620 4.529 1.00 61.10 C ATOM 1095 OE1 GLU A 70 2.139 16.718 5.737 1.00 44.43 O ATOM 1096 OE2 GLU A 70 0.773 17.117 4.076 1.00 55.45 O ATOM 0 H GLU A 70 2.725 11.822 3.761 1.00 65.11 H new ATOM 0 HA GLU A 70 3.321 13.881 1.719 1.00 4.02 H new ATOM 0 HB2 GLU A 70 1.364 14.289 3.126 1.00 64.41 H new ATOM 0 HB3 GLU A 70 2.314 14.007 4.572 1.00 64.41 H new ATOM 0 HG2 GLU A 70 3.756 15.975 3.928 1.00 63.31 H new ATOM 0 HG3 GLU A 70 2.655 16.290 2.602 1.00 63.31 H new ATOM 1103 N TYR A 71 5.669 13.973 2.527 1.00 62.43 N ATOM 1104 CA TYR A 71 7.037 14.007 2.970 1.00 22.02 C ATOM 1105 C TYR A 71 7.725 15.237 2.460 1.00 0.22 C ATOM 1106 O TYR A 71 7.271 15.864 1.498 1.00 73.23 O ATOM 1107 CB TYR A 71 7.798 12.749 2.512 1.00 51.30 C ATOM 1108 CG TYR A 71 7.929 12.584 1.007 1.00 51.11 C ATOM 1109 CD1 TYR A 71 6.861 12.155 0.230 1.00 33.44 C ATOM 1110 CD2 TYR A 71 9.128 12.859 0.369 1.00 51.20 C ATOM 1111 CE1 TYR A 71 6.987 12.014 -1.130 1.00 43.30 C ATOM 1112 CE2 TYR A 71 9.259 12.716 -0.989 1.00 13.23 C ATOM 1113 CZ TYR A 71 8.189 12.294 -1.735 1.00 55.24 C ATOM 1114 OH TYR A 71 8.318 12.170 -3.103 1.00 51.32 O ATOM 0 H TYR A 71 5.528 14.239 1.552 1.00 62.43 H new ATOM 0 HA TYR A 71 7.035 14.030 4.060 1.00 22.02 H new ATOM 0 HB2 TYR A 71 8.797 12.770 2.947 1.00 51.30 H new ATOM 0 HB3 TYR A 71 7.293 11.871 2.915 1.00 51.30 H new ATOM 0 HD1 TYR A 71 5.917 11.929 0.703 1.00 33.44 H new ATOM 0 HD2 TYR A 71 9.974 13.192 0.951 1.00 51.20 H new ATOM 0 HE1 TYR A 71 6.146 11.685 -1.722 1.00 43.30 H new ATOM 0 HE2 TYR A 71 10.202 12.935 -1.469 1.00 13.23 H new ATOM 0 HH TYR A 71 9.026 12.769 -3.420 1.00 51.32 H new ATOM 1124 N ASN A 72 8.802 15.584 3.094 1.00 0.43 N ATOM 1125 CA ASN A 72 9.584 16.710 2.686 1.00 43.05 C ATOM 1126 C ASN A 72 10.555 16.318 1.572 1.00 75.42 C ATOM 1127 O ASN A 72 11.698 15.977 1.810 1.00 13.51 O ATOM 1128 CB ASN A 72 10.291 17.375 3.902 1.00 64.41 C ATOM 1129 CG ASN A 72 11.118 16.400 4.754 1.00 21.31 C ATOM 1130 OD1 ASN A 72 10.588 15.754 5.654 1.00 2.11 O ATOM 1131 ND2 ASN A 72 12.398 16.311 4.505 1.00 33.11 N ATOM 0 H ASN A 72 9.165 15.093 3.911 1.00 0.43 H new ATOM 0 HA ASN A 72 8.918 17.466 2.271 1.00 43.05 H new ATOM 0 HB2 ASN A 72 10.944 18.169 3.540 1.00 64.41 H new ATOM 0 HB3 ASN A 72 9.538 17.845 4.534 1.00 64.41 H new ATOM 0 HD21 ASN A 72 12.985 15.692 5.065 1.00 33.11 H new ATOM 0 HD22 ASN A 72 12.810 16.860 3.751 1.00 33.11 H new ATOM 1138 N ASP A 73 10.066 16.354 0.350 1.00 71.13 N ATOM 1139 CA ASP A 73 10.856 16.009 -0.826 1.00 23.20 C ATOM 1140 C ASP A 73 11.900 17.074 -1.013 1.00 54.22 C ATOM 1141 O ASP A 73 11.574 18.203 -1.400 1.00 60.44 O ATOM 1142 CB ASP A 73 9.972 15.928 -2.077 1.00 52.22 C ATOM 1143 CG ASP A 73 10.712 15.402 -3.297 1.00 32.41 C ATOM 1144 OD1 ASP A 73 11.451 16.164 -3.951 1.00 44.11 O ATOM 1145 OD2 ASP A 73 10.559 14.218 -3.633 1.00 13.23 O ATOM 0 H ASP A 73 9.106 16.624 0.138 1.00 71.13 H new ATOM 0 HA ASP A 73 11.319 15.033 -0.680 1.00 23.20 H new ATOM 0 HB2 ASP A 73 9.119 15.282 -1.870 1.00 52.22 H new ATOM 0 HB3 ASP A 73 9.575 16.919 -2.299 1.00 52.22 H new ATOM 1150 N ALA A 74 13.127 16.754 -0.599 1.00 3.43 N ATOM 1151 CA ALA A 74 14.267 17.669 -0.637 1.00 22.45 C ATOM 1152 C ALA A 74 14.038 18.844 0.318 1.00 75.10 C ATOM 1153 O ALA A 74 14.732 19.851 0.271 1.00 12.33 O ATOM 1154 CB ALA A 74 14.555 18.156 -2.059 1.00 40.34 C ATOM 0 H ALA A 74 13.360 15.835 -0.221 1.00 3.43 H new ATOM 0 HA ALA A 74 15.149 17.122 -0.304 1.00 22.45 H new ATOM 0 HB1 ALA A 74 15.409 18.834 -2.046 1.00 40.34 H new ATOM 0 HB2 ALA A 74 14.780 17.302 -2.698 1.00 40.34 H new ATOM 0 HB3 ALA A 74 13.682 18.680 -2.448 1.00 40.34 H new ATOM 1160 N GLY A 75 13.116 18.656 1.244 1.00 43.14 N ATOM 1161 CA GLY A 75 12.762 19.700 2.174 1.00 64.31 C ATOM 1162 C GLY A 75 11.456 20.399 1.813 1.00 33.13 C ATOM 1163 O GLY A 75 11.013 21.297 2.517 1.00 74.04 O ATOM 0 H GLY A 75 12.600 17.785 1.368 1.00 43.14 H new ATOM 0 HA2 GLY A 75 12.676 19.275 3.174 1.00 64.31 H new ATOM 0 HA3 GLY A 75 13.565 20.436 2.208 1.00 64.31 H new ATOM 1167 N SER A 76 10.837 19.994 0.730 1.00 43.11 N ATOM 1168 CA SER A 76 9.567 20.560 0.330 1.00 43.20 C ATOM 1169 C SER A 76 8.437 19.569 0.620 1.00 35.23 C ATOM 1170 O SER A 76 8.442 18.470 0.094 1.00 75.30 O ATOM 1171 CB SER A 76 9.611 20.887 -1.157 1.00 41.30 C ATOM 1172 OG SER A 76 10.715 21.740 -1.448 1.00 31.05 O ATOM 0 H SER A 76 11.193 19.270 0.105 1.00 43.11 H new ATOM 0 HA SER A 76 9.380 21.473 0.895 1.00 43.20 H new ATOM 0 HB2 SER A 76 9.693 19.967 -1.735 1.00 41.30 H new ATOM 0 HB3 SER A 76 8.681 21.371 -1.457 1.00 41.30 H new ATOM 0 HG SER A 76 10.730 21.939 -2.407 1.00 31.05 H new ATOM 1178 N LYS A 77 7.485 19.947 1.470 1.00 53.15 N ATOM 1179 CA LYS A 77 6.362 19.059 1.803 1.00 34.01 C ATOM 1180 C LYS A 77 5.532 18.763 0.565 1.00 51.10 C ATOM 1181 O LYS A 77 4.871 19.644 0.013 1.00 71.11 O ATOM 1182 CB LYS A 77 5.464 19.652 2.892 1.00 20.21 C ATOM 1183 CG LYS A 77 6.124 19.811 4.257 1.00 65.30 C ATOM 1184 CD LYS A 77 5.173 20.471 5.258 1.00 51.22 C ATOM 1185 CE LYS A 77 3.933 19.616 5.556 1.00 5.05 C ATOM 1186 NZ LYS A 77 4.255 18.343 6.245 1.00 62.03 N ATOM 0 H LYS A 77 7.464 20.852 1.939 1.00 53.15 H new ATOM 0 HA LYS A 77 6.791 18.133 2.186 1.00 34.01 H new ATOM 0 HB2 LYS A 77 5.112 20.629 2.560 1.00 20.21 H new ATOM 0 HB3 LYS A 77 4.585 19.017 3.002 1.00 20.21 H new ATOM 0 HG2 LYS A 77 6.430 18.834 4.632 1.00 65.30 H new ATOM 0 HG3 LYS A 77 7.028 20.412 4.159 1.00 65.30 H new ATOM 0 HD2 LYS A 77 5.708 20.663 6.188 1.00 51.22 H new ATOM 0 HD3 LYS A 77 4.856 21.438 4.867 1.00 51.22 H new ATOM 0 HE2 LYS A 77 3.242 20.191 6.173 1.00 5.05 H new ATOM 0 HE3 LYS A 77 3.418 19.396 4.621 1.00 5.05 H new ATOM 0 HZ1 LYS A 77 3.378 17.811 6.419 1.00 62.03 H new ATOM 0 HZ2 LYS A 77 4.891 17.777 5.648 1.00 62.03 H new ATOM 0 HZ3 LYS A 77 4.721 18.547 7.152 1.00 62.03 H new ATOM 1200 N ARG A 78 5.601 17.547 0.123 1.00 61.14 N ATOM 1201 CA ARG A 78 4.912 17.098 -1.055 1.00 25.35 C ATOM 1202 C ARG A 78 4.171 15.817 -0.756 1.00 22.43 C ATOM 1203 O ARG A 78 4.583 15.054 0.127 1.00 62.53 O ATOM 1204 CB ARG A 78 5.906 16.872 -2.203 1.00 11.22 C ATOM 1205 CG ARG A 78 6.568 18.138 -2.756 1.00 3.23 C ATOM 1206 CD ARG A 78 5.530 19.084 -3.349 1.00 3.24 C ATOM 1207 NE ARG A 78 4.755 18.430 -4.413 1.00 3.20 N ATOM 1208 CZ ARG A 78 3.459 18.097 -4.334 1.00 21.54 C ATOM 1209 NH1 ARG A 78 2.714 18.493 -3.302 1.00 54.43 N ATOM 1210 NH2 ARG A 78 2.900 17.420 -5.308 1.00 71.32 N ATOM 0 H ARG A 78 6.150 16.818 0.579 1.00 61.14 H new ATOM 0 HA ARG A 78 4.198 17.864 -1.358 1.00 25.35 H new ATOM 0 HB2 ARG A 78 6.687 16.195 -1.857 1.00 11.22 H new ATOM 0 HB3 ARG A 78 5.386 16.368 -3.018 1.00 11.22 H new ATOM 0 HG2 ARG A 78 7.114 18.644 -1.960 1.00 3.23 H new ATOM 0 HG3 ARG A 78 7.297 17.867 -3.520 1.00 3.23 H new ATOM 0 HD2 ARG A 78 4.856 19.426 -2.563 1.00 3.24 H new ATOM 0 HD3 ARG A 78 6.027 19.968 -3.749 1.00 3.24 H new ATOM 0 HE ARG A 78 5.243 18.212 -5.282 1.00 3.20 H new ATOM 0 HH11 ARG A 78 3.129 19.057 -2.560 1.00 54.43 H new ATOM 0 HH12 ARG A 78 1.729 18.233 -3.254 1.00 54.43 H new ATOM 0 HH21 ARG A 78 3.451 17.149 -6.122 1.00 71.32 H new ATOM 0 HH22 ARG A 78 1.914 17.165 -5.251 1.00 71.32 H new ATOM 1224 N GLU A 79 3.087 15.596 -1.458 1.00 3.43 N ATOM 1225 CA GLU A 79 2.302 14.406 -1.286 1.00 42.11 C ATOM 1226 C GLU A 79 2.428 13.472 -2.476 1.00 44.22 C ATOM 1227 O GLU A 79 2.484 13.913 -3.633 1.00 12.33 O ATOM 1228 CB GLU A 79 0.827 14.724 -0.907 1.00 51.24 C ATOM 1229 CG GLU A 79 0.150 15.905 -1.641 1.00 32.43 C ATOM 1230 CD GLU A 79 0.036 15.761 -3.146 1.00 14.43 C ATOM 1231 OE1 GLU A 79 -0.756 14.926 -3.627 1.00 55.14 O ATOM 1232 OE2 GLU A 79 0.732 16.490 -3.874 1.00 4.30 O ATOM 0 H GLU A 79 2.727 16.238 -2.164 1.00 3.43 H new ATOM 0 HA GLU A 79 2.713 13.866 -0.433 1.00 42.11 H new ATOM 0 HB2 GLU A 79 0.231 13.829 -1.085 1.00 51.24 H new ATOM 0 HB3 GLU A 79 0.789 14.924 0.164 1.00 51.24 H new ATOM 0 HG2 GLU A 79 -0.850 16.040 -1.230 1.00 32.43 H new ATOM 0 HG3 GLU A 79 0.710 16.814 -1.422 1.00 32.43 H new ATOM 1239 N LYS A 80 2.542 12.207 -2.195 1.00 70.54 N ATOM 1240 CA LYS A 80 2.663 11.188 -3.208 1.00 75.30 C ATOM 1241 C LYS A 80 1.894 9.964 -2.800 1.00 41.24 C ATOM 1242 O LYS A 80 1.829 9.620 -1.618 1.00 31.22 O ATOM 1243 CB LYS A 80 4.137 10.813 -3.467 1.00 71.40 C ATOM 1244 CG LYS A 80 4.979 11.843 -4.248 1.00 20.25 C ATOM 1245 CD LYS A 80 4.894 11.677 -5.789 1.00 24.35 C ATOM 1246 CE LYS A 80 3.521 11.988 -6.402 1.00 5.23 C ATOM 1247 NZ LYS A 80 3.120 13.397 -6.232 1.00 20.24 N ATOM 0 H LYS A 80 2.554 11.844 -1.242 1.00 70.54 H new ATOM 0 HA LYS A 80 2.251 11.591 -4.133 1.00 75.30 H new ATOM 0 HB2 LYS A 80 4.619 10.636 -2.505 1.00 71.40 H new ATOM 0 HB3 LYS A 80 4.159 9.870 -4.012 1.00 71.40 H new ATOM 0 HG2 LYS A 80 4.649 12.847 -3.981 1.00 20.25 H new ATOM 0 HG3 LYS A 80 6.021 11.757 -3.939 1.00 20.25 H new ATOM 0 HD2 LYS A 80 5.637 12.328 -6.251 1.00 24.35 H new ATOM 0 HD3 LYS A 80 5.165 10.653 -6.044 1.00 24.35 H new ATOM 0 HE2 LYS A 80 3.541 11.747 -7.465 1.00 5.23 H new ATOM 0 HE3 LYS A 80 2.770 11.344 -5.943 1.00 5.23 H new ATOM 0 HZ1 LYS A 80 2.501 13.679 -7.018 1.00 20.24 H new ATOM 0 HZ2 LYS A 80 2.609 13.507 -5.333 1.00 20.24 H new ATOM 0 HZ3 LYS A 80 3.967 14.001 -6.225 1.00 20.24 H new ATOM 1261 N LEU A 81 1.328 9.316 -3.766 1.00 43.52 N ATOM 1262 CA LEU A 81 0.579 8.117 -3.552 1.00 31.51 C ATOM 1263 C LEU A 81 1.545 6.951 -3.563 1.00 71.35 C ATOM 1264 O LEU A 81 2.186 6.664 -4.586 1.00 62.52 O ATOM 1265 CB LEU A 81 -0.496 7.918 -4.654 1.00 52.12 C ATOM 1266 CG LEU A 81 -1.710 8.884 -4.693 1.00 40.22 C ATOM 1267 CD1 LEU A 81 -1.307 10.323 -4.970 1.00 72.43 C ATOM 1268 CD2 LEU A 81 -2.710 8.419 -5.733 1.00 40.32 C ATOM 0 H LEU A 81 1.373 9.608 -4.742 1.00 43.52 H new ATOM 0 HA LEU A 81 0.061 8.183 -2.595 1.00 31.51 H new ATOM 0 HB2 LEU A 81 0.006 7.978 -5.620 1.00 52.12 H new ATOM 0 HB3 LEU A 81 -0.883 6.904 -4.559 1.00 52.12 H new ATOM 0 HG LEU A 81 -2.165 8.863 -3.703 1.00 40.22 H new ATOM 0 HD11 LEU A 81 -2.196 10.953 -4.986 1.00 72.43 H new ATOM 0 HD12 LEU A 81 -0.631 10.669 -4.188 1.00 72.43 H new ATOM 0 HD13 LEU A 81 -0.804 10.381 -5.935 1.00 72.43 H new ATOM 0 HD21 LEU A 81 -3.559 9.103 -5.753 1.00 40.32 H new ATOM 0 HD22 LEU A 81 -2.234 8.402 -6.713 1.00 40.32 H new ATOM 0 HD23 LEU A 81 -3.058 7.417 -5.481 1.00 40.32 H new ATOM 1280 N ILE A 82 1.703 6.314 -2.459 1.00 54.33 N ATOM 1281 CA ILE A 82 2.584 5.198 -2.398 1.00 34.32 C ATOM 1282 C ILE A 82 1.820 3.925 -2.167 1.00 73.42 C ATOM 1283 O ILE A 82 0.794 3.907 -1.474 1.00 14.52 O ATOM 1284 CB ILE A 82 3.812 5.403 -1.438 1.00 34.35 C ATOM 1285 CG1 ILE A 82 3.428 5.935 -0.046 1.00 50.04 C ATOM 1286 CG2 ILE A 82 4.829 6.334 -2.073 1.00 64.52 C ATOM 1287 CD1 ILE A 82 2.753 4.951 0.860 1.00 23.44 C ATOM 0 H ILE A 82 1.234 6.544 -1.583 1.00 54.33 H new ATOM 0 HA ILE A 82 3.054 5.107 -3.377 1.00 34.32 H new ATOM 0 HB ILE A 82 4.243 4.413 -1.289 1.00 34.35 H new ATOM 0 HG12 ILE A 82 4.331 6.296 0.447 1.00 50.04 H new ATOM 0 HG13 ILE A 82 2.770 6.794 -0.174 1.00 50.04 H new ATOM 0 HG21 ILE A 82 5.673 6.466 -1.397 1.00 64.52 H new ATOM 0 HG22 ILE A 82 5.180 5.904 -3.011 1.00 64.52 H new ATOM 0 HG23 ILE A 82 4.365 7.301 -2.268 1.00 64.52 H new ATOM 0 HD11 ILE A 82 2.527 5.430 1.813 1.00 23.44 H new ATOM 0 HD12 ILE A 82 1.828 4.607 0.398 1.00 23.44 H new ATOM 0 HD13 ILE A 82 3.413 4.100 1.029 1.00 23.44 H new ATOM 1299 N LEU A 83 2.253 2.885 -2.781 1.00 73.41 N ATOM 1300 CA LEU A 83 1.538 1.674 -2.689 1.00 34.30 C ATOM 1301 C LEU A 83 2.295 0.707 -1.850 1.00 42.02 C ATOM 1302 O LEU A 83 3.302 0.138 -2.289 1.00 73.21 O ATOM 1303 CB LEU A 83 1.254 1.099 -4.070 1.00 32.33 C ATOM 1304 CG LEU A 83 0.380 -0.139 -4.109 1.00 74.10 C ATOM 1305 CD1 LEU A 83 -1.005 0.163 -3.551 1.00 3.03 C ATOM 1306 CD2 LEU A 83 0.289 -0.665 -5.521 1.00 22.31 C ATOM 0 H LEU A 83 3.098 2.852 -3.351 1.00 73.41 H new ATOM 0 HA LEU A 83 0.576 1.869 -2.216 1.00 34.30 H new ATOM 0 HB2 LEU A 83 0.780 1.873 -4.673 1.00 32.33 H new ATOM 0 HB3 LEU A 83 2.206 0.862 -4.546 1.00 32.33 H new ATOM 0 HG LEU A 83 0.833 -0.907 -3.483 1.00 74.10 H new ATOM 0 HD11 LEU A 83 -1.617 -0.738 -3.588 1.00 3.03 H new ATOM 0 HD12 LEU A 83 -0.916 0.499 -2.518 1.00 3.03 H new ATOM 0 HD13 LEU A 83 -1.475 0.945 -4.147 1.00 3.03 H new ATOM 0 HD21 LEU A 83 -0.341 -1.554 -5.538 1.00 22.31 H new ATOM 0 HD22 LEU A 83 -0.144 0.099 -6.167 1.00 22.31 H new ATOM 0 HD23 LEU A 83 1.286 -0.920 -5.879 1.00 22.31 H new ATOM 1318 N ILE A 84 1.827 0.535 -0.648 1.00 35.12 N ATOM 1319 CA ILE A 84 2.427 -0.369 0.282 1.00 13.53 C ATOM 1320 C ILE A 84 2.086 -1.746 -0.197 1.00 44.51 C ATOM 1321 O ILE A 84 0.985 -1.964 -0.629 1.00 31.41 O ATOM 1322 CB ILE A 84 1.816 -0.196 1.700 1.00 72.35 C ATOM 1323 CG1 ILE A 84 1.921 1.261 2.206 1.00 65.31 C ATOM 1324 CG2 ILE A 84 2.434 -1.170 2.689 1.00 55.01 C ATOM 1325 CD1 ILE A 84 3.325 1.794 2.310 1.00 71.34 C ATOM 0 H ILE A 84 1.009 1.025 -0.285 1.00 35.12 H new ATOM 0 HA ILE A 84 3.500 -0.188 0.342 1.00 13.53 H new ATOM 0 HB ILE A 84 0.754 -0.429 1.620 1.00 72.35 H new ATOM 0 HG12 ILE A 84 1.352 1.905 1.536 1.00 65.31 H new ATOM 0 HG13 ILE A 84 1.450 1.325 3.187 1.00 65.31 H new ATOM 0 HG21 ILE A 84 1.986 -1.024 3.672 1.00 55.01 H new ATOM 0 HG22 ILE A 84 2.252 -2.192 2.355 1.00 55.01 H new ATOM 0 HG23 ILE A 84 3.508 -0.994 2.750 1.00 55.01 H new ATOM 0 HD11 ILE A 84 3.298 2.821 2.673 1.00 71.34 H new ATOM 0 HD12 ILE A 84 3.897 1.179 3.004 1.00 71.34 H new ATOM 0 HD13 ILE A 84 3.798 1.768 1.328 1.00 71.34 H new ATOM 1337 N GLN A 85 3.029 -2.636 -0.172 1.00 63.43 N ATOM 1338 CA GLN A 85 2.842 -3.987 -0.579 1.00 32.14 C ATOM 1339 C GLN A 85 3.551 -4.846 0.426 1.00 51.42 C ATOM 1340 O GLN A 85 4.774 -4.932 0.412 1.00 32.11 O ATOM 1341 CB GLN A 85 3.495 -4.227 -1.963 1.00 51.15 C ATOM 1342 CG GLN A 85 3.027 -3.300 -3.072 1.00 71.10 C ATOM 1343 CD GLN A 85 1.715 -3.670 -3.698 1.00 40.31 C ATOM 1344 OE1 GLN A 85 1.657 -4.408 -4.674 1.00 1.23 O ATOM 1345 NE2 GLN A 85 0.672 -3.156 -3.164 1.00 1.33 N ATOM 0 H GLN A 85 3.978 -2.432 0.142 1.00 63.43 H new ATOM 0 HA GLN A 85 1.778 -4.217 -0.644 1.00 32.14 H new ATOM 0 HB2 GLN A 85 4.575 -4.126 -1.859 1.00 51.15 H new ATOM 0 HB3 GLN A 85 3.299 -5.256 -2.265 1.00 51.15 H new ATOM 0 HG2 GLN A 85 2.949 -2.289 -2.671 1.00 71.10 H new ATOM 0 HG3 GLN A 85 3.790 -3.276 -3.850 1.00 71.10 H new ATOM 0 HE21 GLN A 85 0.763 -2.546 -2.352 1.00 1.33 H new ATOM 0 HE22 GLN A 85 -0.250 -3.356 -3.551 1.00 1.33 H new ATOM 1354 N TRP A 86 2.818 -5.411 1.317 1.00 74.12 N ATOM 1355 CA TRP A 86 3.368 -6.357 2.226 1.00 2.33 C ATOM 1356 C TRP A 86 3.522 -7.701 1.572 1.00 53.33 C ATOM 1357 O TRP A 86 2.568 -8.277 1.043 1.00 24.04 O ATOM 1358 CB TRP A 86 2.513 -6.498 3.468 1.00 23.42 C ATOM 1359 CG TRP A 86 2.552 -5.328 4.374 1.00 62.42 C ATOM 1360 CD1 TRP A 86 1.749 -4.234 4.342 1.00 50.25 C ATOM 1361 CD2 TRP A 86 3.443 -5.147 5.467 1.00 4.21 C ATOM 1362 NE1 TRP A 86 2.086 -3.375 5.351 1.00 4.40 N ATOM 1363 CE2 TRP A 86 3.132 -3.917 6.059 1.00 64.40 C ATOM 1364 CE3 TRP A 86 4.482 -5.914 6.002 1.00 1.32 C ATOM 1365 CZ2 TRP A 86 3.818 -3.434 7.163 1.00 33.20 C ATOM 1366 CZ3 TRP A 86 5.161 -5.434 7.094 1.00 61.23 C ATOM 1367 CH2 TRP A 86 4.827 -4.203 7.663 1.00 20.23 C ATOM 0 H TRP A 86 1.821 -5.233 1.438 1.00 74.12 H new ATOM 0 HA TRP A 86 4.349 -5.984 2.520 1.00 2.33 H new ATOM 0 HB2 TRP A 86 1.481 -6.674 3.165 1.00 23.42 H new ATOM 0 HB3 TRP A 86 2.838 -7.380 4.020 1.00 23.42 H new ATOM 0 HD1 TRP A 86 0.959 -4.067 3.624 1.00 50.25 H new ATOM 0 HE1 TRP A 86 1.636 -2.481 5.546 1.00 4.40 H new ATOM 0 HE3 TRP A 86 4.745 -6.866 5.565 1.00 1.32 H new ATOM 0 HZ2 TRP A 86 3.563 -2.485 7.610 1.00 33.20 H new ATOM 0 HZ3 TRP A 86 5.965 -6.016 7.519 1.00 61.23 H new ATOM 0 HH2 TRP A 86 5.382 -3.851 8.520 1.00 20.23 H new ATOM 1378 N ILE A 87 4.732 -8.148 1.570 1.00 10.43 N ATOM 1379 CA ILE A 87 5.103 -9.437 1.094 1.00 33.01 C ATOM 1380 C ILE A 87 5.552 -10.176 2.340 1.00 14.33 C ATOM 1381 O ILE A 87 6.683 -9.991 2.808 1.00 61.44 O ATOM 1382 CB ILE A 87 6.282 -9.348 0.081 1.00 20.23 C ATOM 1383 CG1 ILE A 87 5.946 -8.398 -1.096 1.00 62.45 C ATOM 1384 CG2 ILE A 87 6.674 -10.730 -0.429 1.00 14.24 C ATOM 1385 CD1 ILE A 87 4.757 -8.819 -1.941 1.00 55.14 C ATOM 0 H ILE A 87 5.522 -7.602 1.914 1.00 10.43 H new ATOM 0 HA ILE A 87 4.283 -9.929 0.571 1.00 33.01 H new ATOM 0 HB ILE A 87 7.138 -8.929 0.611 1.00 20.23 H new ATOM 0 HG12 ILE A 87 5.754 -7.402 -0.696 1.00 62.45 H new ATOM 0 HG13 ILE A 87 6.821 -8.319 -1.741 1.00 62.45 H new ATOM 0 HG21 ILE A 87 7.500 -10.637 -1.135 1.00 14.24 H new ATOM 0 HG22 ILE A 87 6.982 -11.353 0.410 1.00 14.24 H new ATOM 0 HG23 ILE A 87 5.821 -11.189 -0.928 1.00 14.24 H new ATOM 0 HD11 ILE A 87 4.601 -8.092 -2.738 1.00 55.14 H new ATOM 0 HD12 ILE A 87 4.949 -9.799 -2.377 1.00 55.14 H new ATOM 0 HD13 ILE A 87 3.866 -8.868 -1.316 1.00 55.14 H new ATOM 1397 N PRO A 88 4.657 -10.915 2.971 1.00 43.10 N ATOM 1398 CA PRO A 88 4.934 -11.492 4.245 1.00 32.44 C ATOM 1399 C PRO A 88 5.587 -12.868 4.211 1.00 34.32 C ATOM 1400 O PRO A 88 5.071 -13.823 3.615 1.00 51.54 O ATOM 1401 CB PRO A 88 3.558 -11.561 4.888 1.00 21.51 C ATOM 1402 CG PRO A 88 2.567 -11.619 3.754 1.00 23.25 C ATOM 1403 CD PRO A 88 3.305 -11.249 2.493 1.00 33.11 C ATOM 0 HA PRO A 88 5.669 -10.896 4.785 1.00 32.44 H new ATOM 0 HB2 PRO A 88 3.470 -12.440 5.527 1.00 21.51 H new ATOM 0 HB3 PRO A 88 3.378 -10.690 5.518 1.00 21.51 H new ATOM 0 HG2 PRO A 88 2.138 -12.618 3.669 1.00 23.25 H new ATOM 0 HG3 PRO A 88 1.740 -10.931 3.931 1.00 23.25 H new ATOM 0 HD2 PRO A 88 3.323 -12.075 1.782 1.00 33.11 H new ATOM 0 HD3 PRO A 88 2.838 -10.404 1.988 1.00 33.11 H new ATOM 1411 N ASP A 89 6.724 -12.957 4.851 1.00 24.41 N ATOM 1412 CA ASP A 89 7.400 -14.222 5.085 1.00 70.52 C ATOM 1413 C ASP A 89 6.761 -14.923 6.264 1.00 40.32 C ATOM 1414 O ASP A 89 6.559 -16.130 6.255 1.00 4.31 O ATOM 1415 CB ASP A 89 8.896 -14.038 5.329 1.00 30.51 C ATOM 1416 CG ASP A 89 9.586 -15.347 5.678 1.00 30.53 C ATOM 1417 OD1 ASP A 89 9.779 -16.196 4.785 1.00 22.40 O ATOM 1418 OD2 ASP A 89 9.944 -15.553 6.859 1.00 5.33 O ATOM 0 H ASP A 89 7.218 -12.149 5.231 1.00 24.41 H new ATOM 0 HA ASP A 89 7.293 -14.831 4.187 1.00 70.52 H new ATOM 0 HB2 ASP A 89 9.358 -13.612 4.438 1.00 30.51 H new ATOM 0 HB3 ASP A 89 9.045 -13.323 6.138 1.00 30.51 H new ATOM 1423 N THR A 90 6.366 -14.125 7.261 1.00 21.24 N ATOM 1424 CA THR A 90 5.775 -14.637 8.507 1.00 4.12 C ATOM 1425 C THR A 90 4.291 -15.024 8.292 1.00 23.34 C ATOM 1426 O THR A 90 3.541 -15.239 9.236 1.00 5.43 O ATOM 1427 CB THR A 90 5.857 -13.564 9.624 1.00 42.34 C ATOM 1428 OG1 THR A 90 7.113 -12.866 9.528 1.00 72.12 O ATOM 1429 CG2 THR A 90 5.782 -14.209 11.008 1.00 72.44 C ATOM 0 H THR A 90 6.445 -13.109 7.230 1.00 21.24 H new ATOM 0 HA THR A 90 6.339 -15.521 8.804 1.00 4.12 H new ATOM 0 HB THR A 90 5.019 -12.879 9.495 1.00 42.34 H new ATOM 0 HG1 THR A 90 7.682 -13.110 10.288 1.00 72.12 H new ATOM 0 HG21 THR A 90 5.842 -13.435 11.774 1.00 72.44 H new ATOM 0 HG22 THR A 90 4.839 -14.747 11.108 1.00 72.44 H new ATOM 0 HG23 THR A 90 6.612 -14.905 11.130 1.00 72.44 H new ATOM 1437 N ALA A 91 3.885 -15.106 7.059 1.00 45.30 N ATOM 1438 CA ALA A 91 2.548 -15.491 6.737 1.00 35.01 C ATOM 1439 C ALA A 91 2.515 -16.975 6.463 1.00 24.20 C ATOM 1440 O ALA A 91 3.556 -17.626 6.428 1.00 74.23 O ATOM 1441 CB ALA A 91 2.048 -14.720 5.539 1.00 41.42 C ATOM 0 H ALA A 91 4.474 -14.907 6.250 1.00 45.30 H new ATOM 0 HA ALA A 91 1.893 -15.263 7.578 1.00 35.01 H new ATOM 0 HB1 ALA A 91 1.028 -15.027 5.309 1.00 41.42 H new ATOM 0 HB2 ALA A 91 2.065 -13.653 5.760 1.00 41.42 H new ATOM 0 HB3 ALA A 91 2.690 -14.923 4.682 1.00 41.42 H new ATOM 1447 N ARG A 92 1.344 -17.486 6.260 1.00 75.51 N ATOM 1448 CA ARG A 92 1.117 -18.894 5.995 1.00 71.23 C ATOM 1449 C ARG A 92 1.160 -19.105 4.462 1.00 50.52 C ATOM 1450 O ARG A 92 1.078 -18.123 3.731 1.00 44.43 O ATOM 1451 CB ARG A 92 -0.240 -19.254 6.596 1.00 41.05 C ATOM 1452 CG ARG A 92 -0.324 -18.925 8.081 1.00 3.14 C ATOM 1453 CD ARG A 92 -1.738 -19.003 8.590 1.00 55.11 C ATOM 1454 NE ARG A 92 -2.618 -18.076 7.859 1.00 43.24 N ATOM 1455 CZ ARG A 92 -3.592 -17.338 8.393 1.00 60.20 C ATOM 1456 NH1 ARG A 92 -3.807 -17.332 9.700 1.00 22.11 N ATOM 1457 NH2 ARG A 92 -4.328 -16.588 7.598 1.00 52.01 N ATOM 0 H ARG A 92 0.488 -16.932 6.272 1.00 75.51 H new ATOM 0 HA ARG A 92 1.875 -19.538 6.441 1.00 71.23 H new ATOM 0 HB2 ARG A 92 -1.024 -18.717 6.063 1.00 41.05 H new ATOM 0 HB3 ARG A 92 -0.428 -20.318 6.451 1.00 41.05 H new ATOM 0 HG2 ARG A 92 0.304 -19.617 8.643 1.00 3.14 H new ATOM 0 HG3 ARG A 92 0.070 -17.924 8.255 1.00 3.14 H new ATOM 0 HD2 ARG A 92 -2.110 -20.022 8.484 1.00 55.11 H new ATOM 0 HD3 ARG A 92 -1.758 -18.766 9.654 1.00 55.11 H new ATOM 0 HE ARG A 92 -2.469 -17.991 6.854 1.00 43.24 H new ATOM 0 HH11 ARG A 92 -3.223 -17.898 10.316 1.00 22.11 H new ATOM 0 HH12 ARG A 92 -4.557 -16.761 10.091 1.00 22.11 H new ATOM 0 HH21 ARG A 92 -4.148 -16.579 6.594 1.00 52.01 H new ATOM 0 HH22 ARG A 92 -5.078 -16.016 7.987 1.00 52.01 H new ATOM 1471 N PRO A 93 1.319 -20.370 3.962 1.00 55.31 N ATOM 1472 CA PRO A 93 1.510 -20.692 2.524 1.00 4.44 C ATOM 1473 C PRO A 93 0.719 -19.843 1.503 1.00 32.21 C ATOM 1474 O PRO A 93 1.328 -19.241 0.614 1.00 40.25 O ATOM 1475 CB PRO A 93 1.083 -22.173 2.425 1.00 35.32 C ATOM 1476 CG PRO A 93 0.761 -22.606 3.828 1.00 33.11 C ATOM 1477 CD PRO A 93 1.387 -21.599 4.747 1.00 31.31 C ATOM 0 HA PRO A 93 2.542 -20.475 2.250 1.00 4.44 H new ATOM 0 HB2 PRO A 93 0.217 -22.287 1.773 1.00 35.32 H new ATOM 0 HB3 PRO A 93 1.882 -22.782 2.002 1.00 35.32 H new ATOM 0 HG2 PRO A 93 -0.317 -22.651 3.981 1.00 33.11 H new ATOM 0 HG3 PRO A 93 1.153 -23.604 4.024 1.00 33.11 H new ATOM 0 HD2 PRO A 93 0.840 -21.512 5.686 1.00 31.31 H new ATOM 0 HD3 PRO A 93 2.414 -21.863 4.999 1.00 31.31 H new ATOM 1485 N ARG A 94 -0.603 -19.722 1.650 1.00 53.54 N ATOM 1486 CA ARG A 94 -1.360 -18.977 0.640 1.00 51.04 C ATOM 1487 C ARG A 94 -1.157 -17.484 0.744 1.00 52.31 C ATOM 1488 O ARG A 94 -0.983 -16.802 -0.265 1.00 3.25 O ATOM 1489 CB ARG A 94 -2.858 -19.389 0.446 1.00 15.55 C ATOM 1490 CG ARG A 94 -3.824 -19.332 1.642 1.00 10.32 C ATOM 1491 CD ARG A 94 -3.552 -20.418 2.671 1.00 4.45 C ATOM 1492 NE ARG A 94 -4.704 -20.658 3.562 1.00 52.23 N ATOM 1493 CZ ARG A 94 -4.674 -20.587 4.904 1.00 23.00 C ATOM 1494 NH1 ARG A 94 -3.723 -19.905 5.518 1.00 45.32 N ATOM 1495 NH2 ARG A 94 -5.658 -21.104 5.621 1.00 2.33 N ATOM 0 H ARG A 94 -1.150 -20.109 2.419 1.00 53.54 H new ATOM 0 HA ARG A 94 -0.907 -19.298 -0.298 1.00 51.04 H new ATOM 0 HB2 ARG A 94 -3.272 -18.754 -0.338 1.00 15.55 H new ATOM 0 HB3 ARG A 94 -2.868 -20.411 0.067 1.00 15.55 H new ATOM 0 HG2 ARG A 94 -3.745 -18.356 2.121 1.00 10.32 H new ATOM 0 HG3 ARG A 94 -4.848 -19.428 1.281 1.00 10.32 H new ATOM 0 HD2 ARG A 94 -3.296 -21.344 2.157 1.00 4.45 H new ATOM 0 HD3 ARG A 94 -2.686 -20.137 3.271 1.00 4.45 H new ATOM 0 HE ARG A 94 -5.594 -20.897 3.124 1.00 52.23 H new ATOM 0 HH11 ARG A 94 -3.005 -19.428 4.973 1.00 45.32 H new ATOM 0 HH12 ARG A 94 -3.707 -19.856 6.537 1.00 45.32 H new ATOM 0 HH21 ARG A 94 -6.444 -21.559 5.156 1.00 2.33 H new ATOM 0 HH22 ARG A 94 -5.631 -21.048 6.639 1.00 2.33 H new ATOM 1509 N GLU A 95 -1.106 -16.990 1.946 1.00 32.23 N ATOM 1510 CA GLU A 95 -0.841 -15.594 2.177 1.00 53.51 C ATOM 1511 C GLU A 95 0.589 -15.188 1.827 1.00 3.23 C ATOM 1512 O GLU A 95 0.828 -14.036 1.536 1.00 74.11 O ATOM 1513 CB GLU A 95 -1.314 -15.062 3.557 1.00 33.35 C ATOM 1514 CG GLU A 95 -1.212 -16.018 4.724 1.00 41.21 C ATOM 1515 CD GLU A 95 -2.272 -17.084 4.697 1.00 25.31 C ATOM 1516 OE1 GLU A 95 -3.385 -16.825 5.144 1.00 14.33 O ATOM 1517 OE2 GLU A 95 -1.986 -18.216 4.266 1.00 64.21 O ATOM 0 H GLU A 95 -1.246 -17.539 2.794 1.00 32.23 H new ATOM 0 HA GLU A 95 -1.482 -15.077 1.463 1.00 53.51 H new ATOM 0 HB2 GLU A 95 -0.733 -14.171 3.795 1.00 33.35 H new ATOM 0 HB3 GLU A 95 -2.354 -14.749 3.463 1.00 33.35 H new ATOM 0 HG2 GLU A 95 -0.229 -16.489 4.717 1.00 41.21 H new ATOM 0 HG3 GLU A 95 -1.290 -15.457 5.655 1.00 41.21 H new ATOM 1524 N LYS A 96 1.553 -16.117 1.863 1.00 52.40 N ATOM 1525 CA LYS A 96 2.897 -15.733 1.428 1.00 34.40 C ATOM 1526 C LYS A 96 2.883 -15.575 -0.104 1.00 31.42 C ATOM 1527 O LYS A 96 3.107 -14.483 -0.646 1.00 44.33 O ATOM 1528 CB LYS A 96 3.929 -16.862 1.684 1.00 24.32 C ATOM 1529 CG LYS A 96 4.081 -17.433 3.084 1.00 54.42 C ATOM 1530 CD LYS A 96 5.028 -18.644 3.007 1.00 73.41 C ATOM 1531 CE LYS A 96 5.176 -19.412 4.319 1.00 41.14 C ATOM 1532 NZ LYS A 96 5.836 -18.628 5.373 1.00 20.03 N ATOM 0 H LYS A 96 1.439 -17.083 2.170 1.00 52.40 H new ATOM 0 HA LYS A 96 3.164 -14.827 1.972 1.00 34.40 H new ATOM 0 HB2 LYS A 96 3.680 -17.689 1.019 1.00 24.32 H new ATOM 0 HB3 LYS A 96 4.905 -16.488 1.376 1.00 24.32 H new ATOM 0 HG2 LYS A 96 4.482 -16.679 3.761 1.00 54.42 H new ATOM 0 HG3 LYS A 96 3.111 -17.733 3.480 1.00 54.42 H new ATOM 0 HD2 LYS A 96 4.664 -19.327 2.239 1.00 73.41 H new ATOM 0 HD3 LYS A 96 6.012 -18.301 2.688 1.00 73.41 H new ATOM 0 HE2 LYS A 96 4.190 -19.720 4.667 1.00 41.14 H new ATOM 0 HE3 LYS A 96 5.748 -20.322 4.138 1.00 41.14 H new ATOM 0 HZ1 LYS A 96 6.584 -19.200 5.815 1.00 20.03 H new ATOM 0 HZ2 LYS A 96 6.255 -17.772 4.958 1.00 20.03 H new ATOM 0 HZ3 LYS A 96 5.137 -18.357 6.093 1.00 20.03 H new ATOM 1546 N MET A 97 2.449 -16.632 -0.776 1.00 22.53 N ATOM 1547 CA MET A 97 2.560 -16.703 -2.228 1.00 3.34 C ATOM 1548 C MET A 97 1.545 -15.874 -2.979 1.00 75.01 C ATOM 1549 O MET A 97 1.909 -15.083 -3.848 1.00 12.45 O ATOM 1550 CB MET A 97 2.599 -18.149 -2.763 1.00 44.30 C ATOM 1551 CG MET A 97 1.339 -18.968 -2.519 1.00 74.34 C ATOM 1552 SD MET A 97 1.396 -20.598 -3.286 1.00 14.54 S ATOM 1553 CE MET A 97 1.520 -20.165 -5.027 1.00 74.42 C ATOM 0 H MET A 97 2.019 -17.449 -0.343 1.00 22.53 H new ATOM 0 HA MET A 97 3.529 -16.247 -2.432 1.00 3.34 H new ATOM 0 HB2 MET A 97 2.789 -18.117 -3.836 1.00 44.30 H new ATOM 0 HB3 MET A 97 3.442 -18.666 -2.305 1.00 44.30 H new ATOM 0 HG2 MET A 97 1.190 -19.083 -1.445 1.00 74.34 H new ATOM 0 HG3 MET A 97 0.478 -18.422 -2.904 1.00 74.34 H new ATOM 0 HE1 MET A 97 0.901 -20.842 -5.615 1.00 74.42 H new ATOM 0 HE2 MET A 97 1.177 -19.141 -5.173 1.00 74.42 H new ATOM 0 HE3 MET A 97 2.558 -20.249 -5.350 1.00 74.42 H new ATOM 1563 N MET A 98 0.282 -16.006 -2.628 1.00 11.01 N ATOM 1564 CA MET A 98 -0.763 -15.404 -3.423 1.00 54.45 C ATOM 1565 C MET A 98 -0.783 -13.912 -3.217 1.00 12.41 C ATOM 1566 O MET A 98 -1.115 -13.158 -4.122 1.00 2.24 O ATOM 1567 CB MET A 98 -2.120 -16.025 -3.123 1.00 70.13 C ATOM 1568 CG MET A 98 -3.105 -15.872 -4.261 1.00 12.53 C ATOM 1569 SD MET A 98 -2.480 -16.647 -5.776 1.00 61.52 S ATOM 1570 CE MET A 98 -3.850 -16.378 -6.878 1.00 23.52 C ATOM 0 H MET A 98 -0.041 -16.519 -1.807 1.00 11.01 H new ATOM 0 HA MET A 98 -0.548 -15.601 -4.473 1.00 54.45 H new ATOM 0 HB2 MET A 98 -1.988 -17.085 -2.904 1.00 70.13 H new ATOM 0 HB3 MET A 98 -2.534 -15.564 -2.227 1.00 70.13 H new ATOM 0 HG2 MET A 98 -4.058 -16.324 -3.984 1.00 12.53 H new ATOM 0 HG3 MET A 98 -3.295 -14.814 -4.442 1.00 12.53 H new ATOM 0 HE1 MET A 98 -3.924 -17.211 -7.577 1.00 23.52 H new ATOM 0 HE2 MET A 98 -4.772 -16.305 -6.301 1.00 23.52 H new ATOM 0 HE3 MET A 98 -3.695 -15.452 -7.432 1.00 23.52 H new ATOM 1580 N TYR A 99 -0.387 -13.487 -2.038 1.00 41.04 N ATOM 1581 CA TYR A 99 -0.282 -12.074 -1.749 1.00 23.51 C ATOM 1582 C TYR A 99 0.896 -11.479 -2.489 1.00 62.12 C ATOM 1583 O TYR A 99 0.846 -10.347 -2.912 1.00 32.10 O ATOM 1584 CB TYR A 99 -0.202 -11.792 -0.247 1.00 32.24 C ATOM 1585 CG TYR A 99 -1.502 -12.031 0.523 1.00 41.34 C ATOM 1586 CD1 TYR A 99 -2.314 -13.140 0.274 1.00 41.22 C ATOM 1587 CD2 TYR A 99 -1.903 -11.150 1.514 1.00 44.24 C ATOM 1588 CE1 TYR A 99 -3.476 -13.353 0.983 1.00 10.54 C ATOM 1589 CE2 TYR A 99 -3.064 -11.361 2.225 1.00 71.13 C ATOM 1590 CZ TYR A 99 -3.844 -12.459 1.957 1.00 73.24 C ATOM 1591 OH TYR A 99 -4.999 -12.657 2.668 1.00 24.31 O ATOM 0 H TYR A 99 -0.132 -14.100 -1.263 1.00 41.04 H new ATOM 0 HA TYR A 99 -1.195 -11.593 -2.101 1.00 23.51 H new ATOM 0 HB2 TYR A 99 0.579 -12.418 0.184 1.00 32.24 H new ATOM 0 HB3 TYR A 99 0.104 -10.756 -0.102 1.00 32.24 H new ATOM 0 HD1 TYR A 99 -2.025 -13.846 -0.491 1.00 41.22 H new ATOM 0 HD2 TYR A 99 -1.296 -10.284 1.733 1.00 44.24 H new ATOM 0 HE1 TYR A 99 -4.092 -14.216 0.774 1.00 10.54 H new ATOM 0 HE2 TYR A 99 -3.361 -10.663 2.993 1.00 71.13 H new ATOM 0 HH TYR A 99 -5.768 -12.606 2.063 1.00 24.31 H new ATOM 1601 N SER A 100 1.943 -12.255 -2.679 1.00 52.43 N ATOM 1602 CA SER A 100 3.063 -11.781 -3.461 1.00 23.11 C ATOM 1603 C SER A 100 2.698 -11.710 -4.960 1.00 42.45 C ATOM 1604 O SER A 100 3.091 -10.776 -5.663 1.00 0.45 O ATOM 1605 CB SER A 100 4.275 -12.684 -3.247 1.00 71.52 C ATOM 1606 OG SER A 100 4.611 -12.747 -1.877 1.00 41.42 O ATOM 0 H SER A 100 2.041 -13.201 -2.309 1.00 52.43 H new ATOM 0 HA SER A 100 3.313 -10.774 -3.127 1.00 23.11 H new ATOM 0 HB2 SER A 100 4.060 -13.685 -3.621 1.00 71.52 H new ATOM 0 HB3 SER A 100 5.123 -12.306 -3.818 1.00 71.52 H new ATOM 0 HG SER A 100 3.975 -13.329 -1.411 1.00 41.42 H new ATOM 1612 N ALA A 101 1.920 -12.675 -5.420 1.00 32.25 N ATOM 1613 CA ALA A 101 1.573 -12.791 -6.831 1.00 53.22 C ATOM 1614 C ALA A 101 0.437 -11.860 -7.270 1.00 13.13 C ATOM 1615 O ALA A 101 0.364 -11.478 -8.427 1.00 24.42 O ATOM 1616 CB ALA A 101 1.234 -14.235 -7.169 1.00 64.24 C ATOM 0 H ALA A 101 1.511 -13.399 -4.830 1.00 32.25 H new ATOM 0 HA ALA A 101 2.454 -12.473 -7.389 1.00 53.22 H new ATOM 0 HB1 ALA A 101 0.976 -14.311 -8.225 1.00 64.24 H new ATOM 0 HB2 ALA A 101 2.095 -14.870 -6.959 1.00 64.24 H new ATOM 0 HB3 ALA A 101 0.387 -14.561 -6.565 1.00 64.24 H new ATOM 1622 N SER A 102 -0.426 -11.470 -6.374 1.00 31.32 N ATOM 1623 CA SER A 102 -1.586 -10.679 -6.777 1.00 4.02 C ATOM 1624 C SER A 102 -1.289 -9.180 -6.909 1.00 43.54 C ATOM 1625 O SER A 102 -2.177 -8.385 -7.258 1.00 25.21 O ATOM 1626 CB SER A 102 -2.760 -10.957 -5.854 1.00 75.01 C ATOM 1627 OG SER A 102 -3.026 -12.361 -5.838 1.00 3.20 O ATOM 0 H SER A 102 -0.364 -11.674 -5.377 1.00 31.32 H new ATOM 0 HA SER A 102 -1.857 -10.998 -7.783 1.00 4.02 H new ATOM 0 HB2 SER A 102 -2.536 -10.606 -4.847 1.00 75.01 H new ATOM 0 HB3 SER A 102 -3.641 -10.412 -6.193 1.00 75.01 H new ATOM 0 HG SER A 102 -2.515 -12.783 -5.116 1.00 3.20 H new ATOM 1633 N ARG A 103 -0.027 -8.804 -6.709 1.00 63.44 N ATOM 1634 CA ARG A 103 0.371 -7.406 -6.812 1.00 73.30 C ATOM 1635 C ARG A 103 0.231 -6.910 -8.256 1.00 55.20 C ATOM 1636 O ARG A 103 0.007 -5.722 -8.498 1.00 33.14 O ATOM 1637 CB ARG A 103 1.811 -7.183 -6.299 1.00 32.31 C ATOM 1638 CG ARG A 103 2.908 -7.836 -7.133 1.00 4.31 C ATOM 1639 CD ARG A 103 4.287 -7.535 -6.561 1.00 3.21 C ATOM 1640 NE ARG A 103 5.359 -8.099 -7.388 1.00 65.11 N ATOM 1641 CZ ARG A 103 6.621 -8.312 -6.995 1.00 22.03 C ATOM 1642 NH1 ARG A 103 7.006 -8.013 -5.750 1.00 61.05 N ATOM 1643 NH2 ARG A 103 7.495 -8.827 -7.851 1.00 33.12 N ATOM 0 H ARG A 103 0.731 -9.445 -6.476 1.00 63.44 H new ATOM 0 HA ARG A 103 -0.298 -6.826 -6.176 1.00 73.30 H new ATOM 0 HB2 ARG A 103 2.001 -6.111 -6.254 1.00 32.31 H new ATOM 0 HB3 ARG A 103 1.879 -7.562 -5.279 1.00 32.31 H new ATOM 0 HG2 ARG A 103 2.752 -8.914 -7.164 1.00 4.31 H new ATOM 0 HG3 ARG A 103 2.851 -7.476 -8.160 1.00 4.31 H new ATOM 0 HD2 ARG A 103 4.419 -6.456 -6.482 1.00 3.21 H new ATOM 0 HD3 ARG A 103 4.357 -7.939 -5.551 1.00 3.21 H new ATOM 0 HE ARG A 103 5.122 -8.351 -8.347 1.00 65.11 H new ATOM 0 HH11 ARG A 103 6.336 -7.619 -5.090 1.00 61.05 H new ATOM 0 HH12 ARG A 103 7.970 -8.179 -5.460 1.00 61.05 H new ATOM 0 HH21 ARG A 103 7.203 -9.058 -8.801 1.00 33.12 H new ATOM 0 HH22 ARG A 103 8.458 -8.992 -7.559 1.00 33.12 H new ATOM 1657 N ASP A 104 0.323 -7.844 -9.202 1.00 42.52 N ATOM 1658 CA ASP A 104 0.240 -7.541 -10.629 1.00 23.52 C ATOM 1659 C ASP A 104 -1.112 -6.976 -11.010 1.00 63.41 C ATOM 1660 O ASP A 104 -1.185 -5.988 -11.717 1.00 62.15 O ATOM 1661 CB ASP A 104 0.526 -8.777 -11.491 1.00 5.10 C ATOM 1662 CG ASP A 104 1.952 -9.267 -11.409 1.00 62.43 C ATOM 1663 OD1 ASP A 104 2.258 -10.103 -10.545 1.00 23.21 O ATOM 1664 OD2 ASP A 104 2.780 -8.870 -12.248 1.00 43.41 O ATOM 0 H ASP A 104 0.458 -8.835 -8.999 1.00 42.52 H new ATOM 0 HA ASP A 104 1.004 -6.788 -10.821 1.00 23.52 H new ATOM 0 HB2 ASP A 104 -0.142 -9.582 -11.186 1.00 5.10 H new ATOM 0 HB3 ASP A 104 0.292 -8.545 -12.530 1.00 5.10 H new ATOM 1669 N ALA A 105 -2.181 -7.576 -10.499 1.00 50.51 N ATOM 1670 CA ALA A 105 -3.548 -7.164 -10.860 1.00 54.12 C ATOM 1671 C ALA A 105 -3.811 -5.712 -10.476 1.00 65.00 C ATOM 1672 O ALA A 105 -4.374 -4.933 -11.250 1.00 42.21 O ATOM 1673 CB ALA A 105 -4.568 -8.067 -10.185 1.00 33.30 C ATOM 0 H ALA A 105 -2.136 -8.348 -9.834 1.00 50.51 H new ATOM 0 HA ALA A 105 -3.646 -7.254 -11.942 1.00 54.12 H new ATOM 0 HB1 ALA A 105 -5.574 -7.750 -10.461 1.00 33.30 H new ATOM 0 HB2 ALA A 105 -4.411 -9.097 -10.506 1.00 33.30 H new ATOM 0 HB3 ALA A 105 -4.452 -8.002 -9.103 1.00 33.30 H new ATOM 1679 N LEU A 106 -3.325 -5.350 -9.312 1.00 0.33 N ATOM 1680 CA LEU A 106 -3.517 -4.036 -8.720 1.00 1.33 C ATOM 1681 C LEU A 106 -2.820 -2.918 -9.511 1.00 73.32 C ATOM 1682 O LEU A 106 -3.166 -1.739 -9.354 1.00 23.41 O ATOM 1683 CB LEU A 106 -3.034 -4.087 -7.267 1.00 1.21 C ATOM 1684 CG LEU A 106 -3.111 -2.827 -6.405 1.00 13.32 C ATOM 1685 CD1 LEU A 106 -4.547 -2.390 -6.210 1.00 44.12 C ATOM 1686 CD2 LEU A 106 -2.454 -3.095 -5.067 1.00 74.33 C ATOM 0 H LEU A 106 -2.768 -5.976 -8.730 1.00 0.33 H new ATOM 0 HA LEU A 106 -4.578 -3.789 -8.751 1.00 1.33 H new ATOM 0 HB2 LEU A 106 -3.604 -4.865 -6.760 1.00 1.21 H new ATOM 0 HB3 LEU A 106 -1.993 -4.411 -7.280 1.00 1.21 H new ATOM 0 HG LEU A 106 -2.584 -2.019 -6.913 1.00 13.32 H new ATOM 0 HD11 LEU A 106 -4.573 -1.492 -5.593 1.00 44.12 H new ATOM 0 HD12 LEU A 106 -4.998 -2.178 -7.180 1.00 44.12 H new ATOM 0 HD13 LEU A 106 -5.106 -3.185 -5.717 1.00 44.12 H new ATOM 0 HD21 LEU A 106 -2.507 -2.198 -4.450 1.00 74.33 H new ATOM 0 HD22 LEU A 106 -2.971 -3.913 -4.565 1.00 74.33 H new ATOM 0 HD23 LEU A 106 -1.410 -3.367 -5.222 1.00 74.33 H new ATOM 1698 N SER A 107 -1.905 -3.277 -10.407 1.00 2.50 N ATOM 1699 CA SER A 107 -1.155 -2.277 -11.165 1.00 24.13 C ATOM 1700 C SER A 107 -2.070 -1.487 -12.120 1.00 74.13 C ATOM 1701 O SER A 107 -1.750 -0.374 -12.513 1.00 45.01 O ATOM 1702 CB SER A 107 0.020 -2.916 -11.936 1.00 11.03 C ATOM 1703 OG SER A 107 -0.430 -3.808 -12.958 1.00 42.42 O ATOM 0 H SER A 107 -1.665 -4.244 -10.626 1.00 2.50 H new ATOM 0 HA SER A 107 -0.739 -1.574 -10.443 1.00 24.13 H new ATOM 0 HB2 SER A 107 0.629 -2.131 -12.383 1.00 11.03 H new ATOM 0 HB3 SER A 107 0.659 -3.457 -11.238 1.00 11.03 H new ATOM 0 HG SER A 107 -0.453 -4.723 -12.607 1.00 42.42 H new ATOM 1709 N SER A 108 -3.226 -2.058 -12.446 1.00 0.35 N ATOM 1710 CA SER A 108 -4.146 -1.438 -13.373 1.00 21.15 C ATOM 1711 C SER A 108 -4.891 -0.262 -12.731 1.00 65.53 C ATOM 1712 O SER A 108 -5.228 0.723 -13.399 1.00 73.13 O ATOM 1713 CB SER A 108 -5.126 -2.490 -13.892 1.00 2.41 C ATOM 1714 OG SER A 108 -5.779 -3.162 -12.806 1.00 21.34 O ATOM 0 H SER A 108 -3.542 -2.954 -12.075 1.00 0.35 H new ATOM 0 HA SER A 108 -3.577 -1.032 -14.209 1.00 21.15 H new ATOM 0 HB2 SER A 108 -5.870 -2.015 -14.531 1.00 2.41 H new ATOM 0 HB3 SER A 108 -4.594 -3.216 -14.507 1.00 2.41 H new ATOM 0 HG SER A 108 -5.188 -3.857 -12.449 1.00 21.34 H new ATOM 1720 N VAL A 109 -5.124 -0.362 -11.442 1.00 23.41 N ATOM 1721 CA VAL A 109 -5.876 0.654 -10.729 1.00 4.33 C ATOM 1722 C VAL A 109 -4.963 1.602 -9.983 1.00 15.34 C ATOM 1723 O VAL A 109 -5.272 2.782 -9.845 1.00 51.40 O ATOM 1724 CB VAL A 109 -6.915 0.033 -9.762 1.00 65.31 C ATOM 1725 CG1 VAL A 109 -7.940 -0.774 -10.524 1.00 73.14 C ATOM 1726 CG2 VAL A 109 -6.251 -0.825 -8.719 1.00 30.21 C ATOM 0 H VAL A 109 -4.804 -1.137 -10.862 1.00 23.41 H new ATOM 0 HA VAL A 109 -6.419 1.225 -11.482 1.00 4.33 H new ATOM 0 HB VAL A 109 -7.421 0.854 -9.254 1.00 65.31 H new ATOM 0 HG11 VAL A 109 -8.660 -1.201 -9.825 1.00 73.14 H new ATOM 0 HG12 VAL A 109 -8.460 -0.127 -11.231 1.00 73.14 H new ATOM 0 HG13 VAL A 109 -7.441 -1.577 -11.066 1.00 73.14 H new ATOM 0 HG21 VAL A 109 -7.009 -1.245 -8.057 1.00 30.21 H new ATOM 0 HG22 VAL A 109 -5.706 -1.634 -9.206 1.00 30.21 H new ATOM 0 HG23 VAL A 109 -5.557 -0.219 -8.137 1.00 30.21 H new ATOM 1736 N SER A 110 -3.837 1.085 -9.506 1.00 52.21 N ATOM 1737 CA SER A 110 -2.877 1.902 -8.776 1.00 1.51 C ATOM 1738 C SER A 110 -2.094 2.880 -9.684 1.00 44.22 C ATOM 1739 O SER A 110 -0.903 2.709 -9.969 1.00 51.13 O ATOM 1740 CB SER A 110 -1.963 1.053 -7.869 1.00 71.12 C ATOM 1741 OG SER A 110 -1.309 0.014 -8.590 1.00 74.33 O ATOM 0 H SER A 110 -3.567 0.107 -9.611 1.00 52.21 H new ATOM 0 HA SER A 110 -3.461 2.539 -8.112 1.00 1.51 H new ATOM 0 HB2 SER A 110 -1.216 1.696 -7.404 1.00 71.12 H new ATOM 0 HB3 SER A 110 -2.555 0.618 -7.064 1.00 71.12 H new ATOM 0 HG SER A 110 -1.953 -0.694 -8.800 1.00 74.33 H new ATOM 1747 N GLU A 111 -2.809 3.858 -10.166 1.00 31.04 N ATOM 1748 CA GLU A 111 -2.288 4.891 -11.010 1.00 74.22 C ATOM 1749 C GLU A 111 -1.401 5.864 -10.231 1.00 43.13 C ATOM 1750 O GLU A 111 -1.852 6.507 -9.273 1.00 45.53 O ATOM 1751 CB GLU A 111 -3.464 5.645 -11.623 1.00 33.31 C ATOM 1752 CG GLU A 111 -3.078 6.836 -12.463 1.00 72.34 C ATOM 1753 CD GLU A 111 -4.274 7.580 -12.948 1.00 61.32 C ATOM 1754 OE1 GLU A 111 -4.983 8.188 -12.119 1.00 42.44 O ATOM 1755 OE2 GLU A 111 -4.545 7.563 -14.163 1.00 21.33 O ATOM 0 H GLU A 111 -3.806 3.959 -9.974 1.00 31.04 H new ATOM 0 HA GLU A 111 -1.671 4.436 -11.785 1.00 74.22 H new ATOM 0 HB2 GLU A 111 -4.040 4.954 -12.239 1.00 33.31 H new ATOM 0 HB3 GLU A 111 -4.121 5.981 -10.821 1.00 33.31 H new ATOM 0 HG2 GLU A 111 -2.446 7.504 -11.878 1.00 72.34 H new ATOM 0 HG3 GLU A 111 -2.486 6.503 -13.316 1.00 72.34 H new ATOM 1762 N GLY A 112 -0.161 5.970 -10.652 1.00 14.21 N ATOM 1763 CA GLY A 112 0.754 6.942 -10.097 1.00 40.12 C ATOM 1764 C GLY A 112 1.236 6.612 -8.709 1.00 20.34 C ATOM 1765 O GLY A 112 1.660 7.496 -7.979 1.00 51.30 O ATOM 0 H GLY A 112 0.241 5.387 -11.386 1.00 14.21 H new ATOM 0 HA2 GLY A 112 1.616 7.031 -10.758 1.00 40.12 H new ATOM 0 HA3 GLY A 112 0.265 7.916 -10.078 1.00 40.12 H new ATOM 1769 N TYR A 113 1.149 5.368 -8.329 1.00 53.53 N ATOM 1770 CA TYR A 113 1.648 4.948 -7.036 1.00 34.43 C ATOM 1771 C TYR A 113 3.056 4.440 -7.186 1.00 43.30 C ATOM 1772 O TYR A 113 3.449 4.009 -8.276 1.00 33.12 O ATOM 1773 CB TYR A 113 0.802 3.827 -6.432 1.00 5.22 C ATOM 1774 CG TYR A 113 -0.574 4.212 -5.929 1.00 71.03 C ATOM 1775 CD1 TYR A 113 -1.611 4.460 -6.801 1.00 45.55 C ATOM 1776 CD2 TYR A 113 -0.839 4.277 -4.569 1.00 41.35 C ATOM 1777 CE1 TYR A 113 -2.871 4.766 -6.348 1.00 2.34 C ATOM 1778 CE2 TYR A 113 -2.097 4.591 -4.103 1.00 10.31 C ATOM 1779 CZ TYR A 113 -3.110 4.832 -5.000 1.00 14.14 C ATOM 1780 OH TYR A 113 -4.370 5.128 -4.554 1.00 64.20 O ATOM 0 H TYR A 113 0.739 4.622 -8.891 1.00 53.53 H new ATOM 0 HA TYR A 113 1.606 5.813 -6.374 1.00 34.43 H new ATOM 0 HB2 TYR A 113 0.684 3.046 -7.184 1.00 5.22 H new ATOM 0 HB3 TYR A 113 1.358 3.390 -5.603 1.00 5.22 H new ATOM 0 HD1 TYR A 113 -1.429 4.413 -7.865 1.00 45.55 H new ATOM 0 HD2 TYR A 113 -0.046 4.078 -3.863 1.00 41.35 H new ATOM 0 HE1 TYR A 113 -3.670 4.954 -7.051 1.00 2.34 H new ATOM 0 HE2 TYR A 113 -2.286 4.647 -3.041 1.00 10.31 H new ATOM 0 HH TYR A 113 -4.767 4.332 -4.143 1.00 64.20 H new ATOM 1790 N LEU A 114 3.828 4.492 -6.127 1.00 43.01 N ATOM 1791 CA LEU A 114 5.126 3.916 -6.167 1.00 74.02 C ATOM 1792 C LEU A 114 5.072 2.674 -5.320 1.00 71.41 C ATOM 1793 O LEU A 114 4.785 2.766 -4.117 1.00 61.32 O ATOM 1794 CB LEU A 114 6.187 4.898 -5.660 1.00 24.42 C ATOM 1795 CG LEU A 114 6.341 6.194 -6.472 1.00 74.31 C ATOM 1796 CD1 LEU A 114 7.346 7.114 -5.815 1.00 0.54 C ATOM 1797 CD2 LEU A 114 6.762 5.894 -7.909 1.00 43.24 C ATOM 0 H LEU A 114 3.572 4.926 -5.240 1.00 43.01 H new ATOM 0 HA LEU A 114 5.411 3.671 -7.190 1.00 74.02 H new ATOM 0 HB2 LEU A 114 5.947 5.163 -4.630 1.00 24.42 H new ATOM 0 HB3 LEU A 114 7.149 4.386 -5.642 1.00 24.42 H new ATOM 0 HG LEU A 114 5.372 6.692 -6.497 1.00 74.31 H new ATOM 0 HD11 LEU A 114 7.443 8.027 -6.403 1.00 0.54 H new ATOM 0 HD12 LEU A 114 7.007 7.364 -4.810 1.00 0.54 H new ATOM 0 HD13 LEU A 114 8.313 6.615 -5.758 1.00 0.54 H new ATOM 0 HD21 LEU A 114 6.864 6.828 -8.461 1.00 43.24 H new ATOM 0 HD22 LEU A 114 7.717 5.369 -7.906 1.00 43.24 H new ATOM 0 HD23 LEU A 114 6.006 5.271 -8.387 1.00 43.24 H new ATOM 1809 N PRO A 115 5.229 1.492 -5.931 1.00 42.24 N ATOM 1810 CA PRO A 115 5.175 0.240 -5.210 1.00 3.51 C ATOM 1811 C PRO A 115 6.325 0.123 -4.238 1.00 72.35 C ATOM 1812 O PRO A 115 7.493 0.097 -4.629 1.00 30.33 O ATOM 1813 CB PRO A 115 5.288 -0.840 -6.300 1.00 11.30 C ATOM 1814 CG PRO A 115 5.030 -0.134 -7.583 1.00 34.20 C ATOM 1815 CD PRO A 115 5.459 1.284 -7.370 1.00 23.11 C ATOM 0 HA PRO A 115 4.263 0.149 -4.621 1.00 3.51 H new ATOM 0 HB2 PRO A 115 6.276 -1.300 -6.296 1.00 11.30 H new ATOM 0 HB3 PRO A 115 4.564 -1.639 -6.138 1.00 11.30 H new ATOM 0 HG2 PRO A 115 5.589 -0.592 -8.399 1.00 34.20 H new ATOM 0 HG3 PRO A 115 3.975 -0.186 -7.851 1.00 34.20 H new ATOM 0 HD2 PRO A 115 6.506 1.432 -7.636 1.00 23.11 H new ATOM 0 HD3 PRO A 115 4.875 1.977 -7.976 1.00 23.11 H new ATOM 1823 N ILE A 116 5.997 0.061 -2.997 1.00 11.35 N ATOM 1824 CA ILE A 116 6.955 -0.061 -1.955 1.00 51.23 C ATOM 1825 C ILE A 116 6.657 -1.323 -1.163 1.00 52.35 C ATOM 1826 O ILE A 116 5.560 -1.497 -0.616 1.00 72.43 O ATOM 1827 CB ILE A 116 6.990 1.221 -1.068 1.00 53.22 C ATOM 1828 CG1 ILE A 116 7.892 1.040 0.149 1.00 3.34 C ATOM 1829 CG2 ILE A 116 5.595 1.688 -0.665 1.00 41.23 C ATOM 1830 CD1 ILE A 116 7.944 2.254 1.033 1.00 33.03 C ATOM 0 H ILE A 116 5.032 0.094 -2.669 1.00 11.35 H new ATOM 0 HA ILE A 116 7.956 -0.152 -2.376 1.00 51.23 H new ATOM 0 HB ILE A 116 7.421 2.012 -1.682 1.00 53.22 H new ATOM 0 HG12 ILE A 116 7.539 0.189 0.732 1.00 3.34 H new ATOM 0 HG13 ILE A 116 8.901 0.800 -0.187 1.00 3.34 H new ATOM 0 HG21 ILE A 116 5.675 2.583 -0.049 1.00 41.23 H new ATOM 0 HG22 ILE A 116 5.014 1.914 -1.559 1.00 41.23 H new ATOM 0 HG23 ILE A 116 5.097 0.901 -0.099 1.00 41.23 H new ATOM 0 HD11 ILE A 116 8.602 2.060 1.880 1.00 33.03 H new ATOM 0 HD12 ILE A 116 8.325 3.102 0.464 1.00 33.03 H new ATOM 0 HD13 ILE A 116 6.942 2.482 1.397 1.00 33.03 H new ATOM 1842 N GLN A 117 7.595 -2.225 -1.156 1.00 74.33 N ATOM 1843 CA GLN A 117 7.395 -3.499 -0.535 1.00 64.33 C ATOM 1844 C GLN A 117 7.800 -3.461 0.909 1.00 35.41 C ATOM 1845 O GLN A 117 8.766 -2.783 1.287 1.00 52.44 O ATOM 1846 CB GLN A 117 8.145 -4.645 -1.253 1.00 60.43 C ATOM 1847 CG GLN A 117 7.631 -5.048 -2.651 1.00 34.13 C ATOM 1848 CD GLN A 117 7.814 -3.991 -3.726 1.00 61.12 C ATOM 1849 OE1 GLN A 117 8.843 -3.933 -4.376 1.00 22.14 O ATOM 1850 NE2 GLN A 117 6.816 -3.184 -3.946 1.00 61.42 N ATOM 0 H GLN A 117 8.515 -2.098 -1.578 1.00 74.33 H new ATOM 0 HA GLN A 117 6.328 -3.707 -0.612 1.00 64.33 H new ATOM 0 HB2 GLN A 117 9.193 -4.359 -1.346 1.00 60.43 H new ATOM 0 HB3 GLN A 117 8.111 -5.526 -0.612 1.00 60.43 H new ATOM 0 HG2 GLN A 117 8.145 -5.957 -2.964 1.00 34.13 H new ATOM 0 HG3 GLN A 117 6.571 -5.291 -2.577 1.00 34.13 H new ATOM 0 HE21 GLN A 117 5.967 -3.257 -3.385 1.00 61.42 H new ATOM 0 HE22 GLN A 117 6.883 -2.478 -4.680 1.00 61.42 H new ATOM 1859 N ALA A 118 7.053 -4.148 1.704 1.00 60.32 N ATOM 1860 CA ALA A 118 7.344 -4.298 3.088 1.00 70.10 C ATOM 1861 C ALA A 118 7.287 -5.765 3.437 1.00 15.52 C ATOM 1862 O ALA A 118 6.316 -6.448 3.132 1.00 53.30 O ATOM 1863 CB ALA A 118 6.360 -3.504 3.926 1.00 41.44 C ATOM 0 H ALA A 118 6.206 -4.631 1.404 1.00 60.32 H new ATOM 0 HA ALA A 118 8.342 -3.914 3.300 1.00 70.10 H new ATOM 0 HB1 ALA A 118 6.597 -3.630 4.982 1.00 41.44 H new ATOM 0 HB2 ALA A 118 6.427 -2.448 3.663 1.00 41.44 H new ATOM 0 HB3 ALA A 118 5.348 -3.862 3.736 1.00 41.44 H new ATOM 1869 N ASN A 119 8.335 -6.249 4.003 1.00 70.54 N ATOM 1870 CA ASN A 119 8.415 -7.634 4.450 1.00 22.24 C ATOM 1871 C ASN A 119 8.323 -7.646 5.943 1.00 61.41 C ATOM 1872 O ASN A 119 7.779 -8.567 6.558 1.00 2.01 O ATOM 1873 CB ASN A 119 9.762 -8.271 4.051 1.00 34.20 C ATOM 1874 CG ASN A 119 9.995 -8.408 2.556 1.00 63.43 C ATOM 1875 OD1 ASN A 119 8.981 -8.740 1.813 1.00 53.01 O flip ATOM 1876 ND2 ASN A 119 11.126 -8.281 2.086 1.00 0.52 N flip ATOM 0 H ASN A 119 9.180 -5.707 4.180 1.00 70.54 H new ATOM 0 HA ASN A 119 7.606 -8.200 3.988 1.00 22.24 H new ATOM 0 HB2 ASN A 119 10.568 -7.673 4.475 1.00 34.20 H new ATOM 0 HB3 ASN A 119 9.827 -9.260 4.505 1.00 34.20 H new ATOM 0 HD21 ASN A 119 11.904 -8.020 2.692 1.00 0.52 H new ATOM 0 HD22 ASN A 119 11.285 -8.437 1.091 1.00 0.52 H new ATOM 1883 N ASP A 120 8.843 -6.601 6.516 1.00 24.41 N ATOM 1884 CA ASP A 120 8.936 -6.437 7.932 1.00 73.45 C ATOM 1885 C ASP A 120 8.475 -5.024 8.268 1.00 1.24 C ATOM 1886 O ASP A 120 8.352 -4.177 7.366 1.00 21.13 O ATOM 1887 CB ASP A 120 10.415 -6.639 8.352 1.00 24.14 C ATOM 1888 CG ASP A 120 10.654 -6.597 9.846 1.00 40.21 C ATOM 1889 OD1 ASP A 120 10.802 -5.510 10.415 1.00 75.13 O ATOM 1890 OD2 ASP A 120 10.690 -7.667 10.484 1.00 62.34 O ATOM 0 H ASP A 120 9.226 -5.815 5.991 1.00 24.41 H new ATOM 0 HA ASP A 120 8.315 -7.160 8.462 1.00 73.45 H new ATOM 0 HB2 ASP A 120 10.761 -7.599 7.968 1.00 24.14 H new ATOM 0 HB3 ASP A 120 11.023 -5.868 7.878 1.00 24.14 H new ATOM 1895 N GLU A 121 8.220 -4.775 9.539 1.00 54.52 N ATOM 1896 CA GLU A 121 7.821 -3.469 10.069 1.00 54.22 C ATOM 1897 C GLU A 121 8.854 -2.376 9.697 1.00 1.43 C ATOM 1898 O GLU A 121 8.505 -1.199 9.547 1.00 35.44 O ATOM 1899 CB GLU A 121 7.616 -3.635 11.609 1.00 4.40 C ATOM 1900 CG GLU A 121 7.328 -2.382 12.453 1.00 33.33 C ATOM 1901 CD GLU A 121 8.570 -1.581 12.789 1.00 32.24 C ATOM 1902 OE1 GLU A 121 9.588 -2.187 13.190 1.00 23.50 O ATOM 1903 OE2 GLU A 121 8.558 -0.337 12.642 1.00 71.25 O ATOM 0 H GLU A 121 8.285 -5.494 10.260 1.00 54.52 H new ATOM 0 HA GLU A 121 6.885 -3.130 9.625 1.00 54.22 H new ATOM 0 HB2 GLU A 121 6.792 -4.332 11.760 1.00 4.40 H new ATOM 0 HB3 GLU A 121 8.511 -4.108 12.013 1.00 4.40 H new ATOM 0 HG2 GLU A 121 6.628 -1.743 11.914 1.00 33.33 H new ATOM 0 HG3 GLU A 121 6.837 -2.682 13.379 1.00 33.33 H new ATOM 1910 N SER A 122 10.085 -2.797 9.475 1.00 3.14 N ATOM 1911 CA SER A 122 11.190 -1.916 9.154 1.00 3.52 C ATOM 1912 C SER A 122 11.080 -1.313 7.743 1.00 2.44 C ATOM 1913 O SER A 122 11.657 -0.243 7.472 1.00 75.13 O ATOM 1914 CB SER A 122 12.494 -2.683 9.313 1.00 41.44 C ATOM 1915 OG SER A 122 12.440 -3.908 8.593 1.00 54.24 O ATOM 0 H SER A 122 10.349 -3.781 9.514 1.00 3.14 H new ATOM 0 HA SER A 122 11.163 -1.074 9.845 1.00 3.52 H new ATOM 0 HB2 SER A 122 13.325 -2.078 8.952 1.00 41.44 H new ATOM 0 HB3 SER A 122 12.680 -2.882 10.368 1.00 41.44 H new ATOM 0 HG SER A 122 13.286 -4.390 8.703 1.00 54.24 H new ATOM 1921 N GLY A 123 10.331 -1.983 6.854 1.00 65.51 N ATOM 1922 CA GLY A 123 10.178 -1.515 5.505 1.00 22.32 C ATOM 1923 C GLY A 123 9.256 -0.343 5.457 1.00 1.32 C ATOM 1924 O GLY A 123 9.291 0.463 4.522 1.00 54.23 O ATOM 0 H GLY A 123 9.830 -2.847 7.063 1.00 65.51 H new ATOM 0 HA2 GLY A 123 11.150 -1.237 5.099 1.00 22.32 H new ATOM 0 HA3 GLY A 123 9.788 -2.317 4.878 1.00 22.32 H new ATOM 1928 N LEU A 124 8.426 -0.237 6.461 1.00 34.22 N ATOM 1929 CA LEU A 124 7.547 0.868 6.562 1.00 11.44 C ATOM 1930 C LEU A 124 8.019 1.808 7.650 1.00 0.10 C ATOM 1931 O LEU A 124 7.448 1.880 8.733 1.00 43.21 O ATOM 1932 CB LEU A 124 6.070 0.467 6.752 1.00 54.44 C ATOM 1933 CG LEU A 124 5.387 -0.312 5.602 1.00 4.01 C ATOM 1934 CD1 LEU A 124 3.891 -0.241 5.786 1.00 42.14 C ATOM 1935 CD2 LEU A 124 5.794 0.264 4.251 1.00 51.13 C ATOM 0 H LEU A 124 8.350 -0.915 7.219 1.00 34.22 H new ATOM 0 HA LEU A 124 7.578 1.389 5.605 1.00 11.44 H new ATOM 0 HB2 LEU A 124 5.999 -0.138 7.656 1.00 54.44 H new ATOM 0 HB3 LEU A 124 5.495 1.376 6.931 1.00 54.44 H new ATOM 0 HG LEU A 124 5.705 -1.354 5.626 1.00 4.01 H new ATOM 0 HD11 LEU A 124 3.399 -0.787 4.981 1.00 42.14 H new ATOM 0 HD12 LEU A 124 3.621 -0.686 6.744 1.00 42.14 H new ATOM 0 HD13 LEU A 124 3.571 0.801 5.766 1.00 42.14 H new ATOM 0 HD21 LEU A 124 5.304 -0.296 3.454 1.00 51.13 H new ATOM 0 HD22 LEU A 124 5.494 1.310 4.196 1.00 51.13 H new ATOM 0 HD23 LEU A 124 6.875 0.190 4.135 1.00 51.13 H new ATOM 1947 N ASP A 125 9.113 2.451 7.375 1.00 1.51 N ATOM 1948 CA ASP A 125 9.702 3.436 8.262 1.00 34.14 C ATOM 1949 C ASP A 125 9.720 4.741 7.530 1.00 14.32 C ATOM 1950 O ASP A 125 10.148 4.775 6.386 1.00 65.52 O ATOM 1951 CB ASP A 125 11.126 3.029 8.654 1.00 10.31 C ATOM 1952 CG ASP A 125 11.839 4.076 9.487 1.00 52.25 C ATOM 1953 OD1 ASP A 125 11.687 4.070 10.734 1.00 74.44 O ATOM 1954 OD2 ASP A 125 12.572 4.918 8.917 1.00 53.31 O ATOM 0 H ASP A 125 9.640 2.310 6.513 1.00 1.51 H new ATOM 0 HA ASP A 125 9.120 3.515 9.180 1.00 34.14 H new ATOM 0 HB2 ASP A 125 11.089 2.094 9.212 1.00 10.31 H new ATOM 0 HB3 ASP A 125 11.704 2.838 7.750 1.00 10.31 H new ATOM 1959 N ALA A 126 9.252 5.802 8.169 1.00 74.21 N ATOM 1960 CA ALA A 126 9.109 7.110 7.526 1.00 24.10 C ATOM 1961 C ALA A 126 10.391 7.598 6.865 1.00 65.21 C ATOM 1962 O ALA A 126 10.362 8.009 5.710 1.00 50.34 O ATOM 1963 CB ALA A 126 8.586 8.146 8.500 1.00 65.32 C ATOM 0 H ALA A 126 8.960 5.786 9.146 1.00 74.21 H new ATOM 0 HA ALA A 126 8.378 6.973 6.729 1.00 24.10 H new ATOM 0 HB1 ALA A 126 8.491 9.106 7.993 1.00 65.32 H new ATOM 0 HB2 ALA A 126 7.611 7.834 8.874 1.00 65.32 H new ATOM 0 HB3 ALA A 126 9.280 8.244 9.335 1.00 65.32 H new ATOM 1969 N GLU A 127 11.515 7.496 7.567 1.00 61.34 N ATOM 1970 CA GLU A 127 12.784 7.984 7.037 1.00 41.03 C ATOM 1971 C GLU A 127 13.220 7.150 5.840 1.00 21.52 C ATOM 1972 O GLU A 127 13.730 7.686 4.849 1.00 55.51 O ATOM 1973 CB GLU A 127 13.868 7.994 8.113 1.00 51.25 C ATOM 1974 CG GLU A 127 13.546 8.877 9.310 1.00 3.34 C ATOM 1975 CD GLU A 127 14.669 8.912 10.311 1.00 71.51 C ATOM 1976 OE1 GLU A 127 14.814 7.958 11.101 1.00 2.01 O ATOM 1977 OE2 GLU A 127 15.449 9.886 10.323 1.00 20.10 O ATOM 0 H GLU A 127 11.574 7.083 8.498 1.00 61.34 H new ATOM 0 HA GLU A 127 12.636 9.012 6.706 1.00 41.03 H new ATOM 0 HB2 GLU A 127 14.029 6.974 8.461 1.00 51.25 H new ATOM 0 HB3 GLU A 127 14.804 8.331 7.668 1.00 51.25 H new ATOM 0 HG2 GLU A 127 13.337 9.890 8.966 1.00 3.34 H new ATOM 0 HG3 GLU A 127 12.641 8.512 9.795 1.00 3.34 H new ATOM 1984 N GLU A 128 12.989 5.841 5.928 1.00 22.33 N ATOM 1985 CA GLU A 128 13.290 4.921 4.837 1.00 43.14 C ATOM 1986 C GLU A 128 12.420 5.244 3.638 1.00 63.33 C ATOM 1987 O GLU A 128 12.911 5.350 2.517 1.00 44.02 O ATOM 1988 CB GLU A 128 13.037 3.473 5.261 1.00 32.32 C ATOM 1989 CG GLU A 128 14.262 2.575 5.228 1.00 54.43 C ATOM 1990 CD GLU A 128 14.903 2.501 3.866 1.00 21.13 C ATOM 1991 OE1 GLU A 128 14.512 1.639 3.050 1.00 43.33 O ATOM 1992 OE2 GLU A 128 15.822 3.295 3.593 1.00 50.33 O ATOM 0 H GLU A 128 12.590 5.392 6.753 1.00 22.33 H new ATOM 0 HA GLU A 128 14.342 5.035 4.576 1.00 43.14 H new ATOM 0 HB2 GLU A 128 12.630 3.471 6.272 1.00 32.32 H new ATOM 0 HB3 GLU A 128 12.274 3.047 4.610 1.00 32.32 H new ATOM 0 HG2 GLU A 128 14.994 2.942 5.948 1.00 54.43 H new ATOM 0 HG3 GLU A 128 13.978 1.571 5.545 1.00 54.43 H new ATOM 1999 N ILE A 129 11.127 5.418 3.897 1.00 32.24 N ATOM 2000 CA ILE A 129 10.158 5.722 2.862 1.00 32.33 C ATOM 2001 C ILE A 129 10.533 7.008 2.135 1.00 71.25 C ATOM 2002 O ILE A 129 10.615 7.009 0.923 1.00 50.01 O ATOM 2003 CB ILE A 129 8.693 5.788 3.410 1.00 33.02 C ATOM 2004 CG1 ILE A 129 8.288 4.416 3.986 1.00 33.21 C ATOM 2005 CG2 ILE A 129 7.720 6.204 2.304 1.00 5.31 C ATOM 2006 CD1 ILE A 129 6.911 4.376 4.623 1.00 20.14 C ATOM 0 H ILE A 129 10.727 5.351 4.833 1.00 32.24 H new ATOM 0 HA ILE A 129 10.184 4.899 2.148 1.00 32.33 H new ATOM 0 HB ILE A 129 8.651 6.536 4.202 1.00 33.02 H new ATOM 0 HG12 ILE A 129 8.325 3.676 3.186 1.00 33.21 H new ATOM 0 HG13 ILE A 129 9.026 4.118 4.730 1.00 33.21 H new ATOM 0 HG21 ILE A 129 6.708 6.244 2.706 1.00 5.31 H new ATOM 0 HG22 ILE A 129 7.999 7.187 1.925 1.00 5.31 H new ATOM 0 HG23 ILE A 129 7.760 5.478 1.492 1.00 5.31 H new ATOM 0 HD11 ILE A 129 6.713 3.372 5.000 1.00 20.14 H new ATOM 0 HD12 ILE A 129 6.871 5.087 5.448 1.00 20.14 H new ATOM 0 HD13 ILE A 129 6.158 4.639 3.880 1.00 20.14 H new ATOM 2018 N ILE A 130 10.817 8.073 2.882 1.00 44.43 N ATOM 2019 CA ILE A 130 11.225 9.354 2.285 1.00 65.31 C ATOM 2020 C ILE A 130 12.449 9.147 1.383 1.00 61.52 C ATOM 2021 O ILE A 130 12.469 9.589 0.232 1.00 72.11 O ATOM 2022 CB ILE A 130 11.567 10.422 3.378 1.00 74.04 C ATOM 2023 CG1 ILE A 130 10.337 10.711 4.255 1.00 14.40 C ATOM 2024 CG2 ILE A 130 12.091 11.718 2.741 1.00 52.43 C ATOM 2025 CD1 ILE A 130 10.585 11.708 5.377 1.00 72.20 C ATOM 0 H ILE A 130 10.774 8.080 3.901 1.00 44.43 H new ATOM 0 HA ILE A 130 10.384 9.723 1.698 1.00 65.31 H new ATOM 0 HB ILE A 130 12.356 10.015 4.010 1.00 74.04 H new ATOM 0 HG12 ILE A 130 9.535 11.088 3.621 1.00 14.40 H new ATOM 0 HG13 ILE A 130 9.987 9.774 4.689 1.00 14.40 H new ATOM 0 HG21 ILE A 130 12.320 12.441 3.524 1.00 52.43 H new ATOM 0 HG22 ILE A 130 12.994 11.503 2.170 1.00 52.43 H new ATOM 0 HG23 ILE A 130 11.331 12.130 2.077 1.00 52.43 H new ATOM 0 HD11 ILE A 130 9.666 11.853 5.945 1.00 72.20 H new ATOM 0 HD12 ILE A 130 11.363 11.326 6.038 1.00 72.20 H new ATOM 0 HD13 ILE A 130 10.904 12.660 4.954 1.00 72.20 H new ATOM 2037 N ARG A 131 13.403 8.395 1.899 1.00 24.43 N ATOM 2038 CA ARG A 131 14.673 8.127 1.238 1.00 30.13 C ATOM 2039 C ARG A 131 14.464 7.393 -0.087 1.00 41.42 C ATOM 2040 O ARG A 131 14.957 7.826 -1.136 1.00 41.32 O ATOM 2041 CB ARG A 131 15.482 7.244 2.182 1.00 73.43 C ATOM 2042 CG ARG A 131 16.894 6.907 1.775 1.00 35.32 C ATOM 2043 CD ARG A 131 17.540 6.081 2.878 1.00 10.13 C ATOM 2044 NE ARG A 131 17.564 6.817 4.161 1.00 42.43 N ATOM 2045 CZ ARG A 131 17.164 6.335 5.361 1.00 23.24 C ATOM 2046 NH1 ARG A 131 16.581 5.137 5.457 1.00 62.23 N ATOM 2047 NH2 ARG A 131 17.312 7.083 6.457 1.00 51.15 N ATOM 0 H ARG A 131 13.318 7.942 2.809 1.00 24.43 H new ATOM 0 HA ARG A 131 15.185 9.064 1.017 1.00 30.13 H new ATOM 0 HB2 ARG A 131 15.520 7.736 3.154 1.00 73.43 H new ATOM 0 HB3 ARG A 131 14.938 6.309 2.318 1.00 73.43 H new ATOM 0 HG2 ARG A 131 16.894 6.350 0.838 1.00 35.32 H new ATOM 0 HG3 ARG A 131 17.465 7.819 1.603 1.00 35.32 H new ATOM 0 HD2 ARG A 131 16.992 5.147 3.003 1.00 10.13 H new ATOM 0 HD3 ARG A 131 18.557 5.818 2.589 1.00 10.13 H new ATOM 0 HE ARG A 131 17.914 7.775 4.139 1.00 42.43 H new ATOM 0 HH11 ARG A 131 16.433 4.574 4.620 1.00 62.23 H new ATOM 0 HH12 ARG A 131 16.284 4.786 6.367 1.00 62.23 H new ATOM 0 HH21 ARG A 131 17.725 8.013 6.388 1.00 51.15 H new ATOM 0 HH22 ARG A 131 17.012 6.724 7.364 1.00 51.15 H new ATOM 2061 N LYS A 132 13.697 6.321 -0.050 1.00 70.45 N ATOM 2062 CA LYS A 132 13.463 5.536 -1.240 1.00 12.00 C ATOM 2063 C LYS A 132 12.504 6.218 -2.211 1.00 3.23 C ATOM 2064 O LYS A 132 12.727 6.202 -3.415 1.00 60.51 O ATOM 2065 CB LYS A 132 13.106 4.070 -0.915 1.00 74.31 C ATOM 2066 CG LYS A 132 11.819 3.842 -0.129 1.00 4.05 C ATOM 2067 CD LYS A 132 11.998 2.715 0.900 1.00 1.21 C ATOM 2068 CE LYS A 132 12.485 1.407 0.284 1.00 24.24 C ATOM 2069 NZ LYS A 132 12.864 0.430 1.328 1.00 44.33 N ATOM 0 H LYS A 132 13.228 5.977 0.788 1.00 70.45 H new ATOM 0 HA LYS A 132 14.409 5.481 -1.779 1.00 12.00 H new ATOM 0 HB2 LYS A 132 13.035 3.520 -1.853 1.00 74.31 H new ATOM 0 HB3 LYS A 132 13.931 3.634 -0.352 1.00 74.31 H new ATOM 0 HG2 LYS A 132 11.531 4.762 0.380 1.00 4.05 H new ATOM 0 HG3 LYS A 132 11.010 3.589 -0.814 1.00 4.05 H new ATOM 0 HD2 LYS A 132 12.709 3.037 1.661 1.00 1.21 H new ATOM 0 HD3 LYS A 132 11.048 2.539 1.405 1.00 1.21 H new ATOM 0 HE2 LYS A 132 11.701 0.985 -0.345 1.00 24.24 H new ATOM 0 HE3 LYS A 132 13.341 1.603 -0.362 1.00 24.24 H new ATOM 0 HZ1 LYS A 132 13.406 -0.346 0.897 1.00 44.33 H new ATOM 0 HZ2 LYS A 132 13.447 0.901 2.049 1.00 44.33 H new ATOM 0 HZ3 LYS A 132 12.006 0.047 1.773 1.00 44.33 H new ATOM 2083 N VAL A 133 11.480 6.875 -1.684 1.00 61.14 N ATOM 2084 CA VAL A 133 10.511 7.572 -2.519 1.00 53.55 C ATOM 2085 C VAL A 133 11.167 8.744 -3.252 1.00 64.11 C ATOM 2086 O VAL A 133 10.831 9.020 -4.389 1.00 15.30 O ATOM 2087 CB VAL A 133 9.236 8.008 -1.726 1.00 33.20 C ATOM 2088 CG1 VAL A 133 8.310 8.860 -2.574 1.00 71.33 C ATOM 2089 CG2 VAL A 133 8.477 6.778 -1.257 1.00 4.02 C ATOM 0 H VAL A 133 11.299 6.940 -0.682 1.00 61.14 H new ATOM 0 HA VAL A 133 10.163 6.864 -3.271 1.00 53.55 H new ATOM 0 HB VAL A 133 9.567 8.601 -0.874 1.00 33.20 H new ATOM 0 HG11 VAL A 133 7.436 9.142 -1.987 1.00 71.33 H new ATOM 0 HG12 VAL A 133 8.836 9.758 -2.897 1.00 71.33 H new ATOM 0 HG13 VAL A 133 7.992 8.292 -3.448 1.00 71.33 H new ATOM 0 HG21 VAL A 133 7.589 7.087 -0.705 1.00 4.02 H new ATOM 0 HG22 VAL A 133 8.179 6.183 -2.120 1.00 4.02 H new ATOM 0 HG23 VAL A 133 9.118 6.180 -0.609 1.00 4.02 H new ATOM 2099 N ARG A 134 12.133 9.400 -2.610 1.00 4.33 N ATOM 2100 CA ARG A 134 12.929 10.447 -3.266 1.00 52.34 C ATOM 2101 C ARG A 134 13.595 9.903 -4.526 1.00 12.25 C ATOM 2102 O ARG A 134 13.494 10.498 -5.610 1.00 41.25 O ATOM 2103 CB ARG A 134 13.996 10.994 -2.311 1.00 43.52 C ATOM 2104 CG ARG A 134 13.529 12.132 -1.419 1.00 31.23 C ATOM 2105 CD ARG A 134 13.447 13.435 -2.206 1.00 14.11 C ATOM 2106 NE ARG A 134 14.774 13.832 -2.711 1.00 42.24 N ATOM 2107 CZ ARG A 134 15.021 14.737 -3.675 1.00 14.03 C ATOM 2108 NH1 ARG A 134 14.035 15.460 -4.202 1.00 64.52 N ATOM 2109 NH2 ARG A 134 16.278 14.946 -4.075 1.00 1.51 N ATOM 0 H ARG A 134 12.386 9.228 -1.637 1.00 4.33 H new ATOM 0 HA ARG A 134 12.256 11.258 -3.543 1.00 52.34 H new ATOM 0 HB2 ARG A 134 14.351 10.179 -1.680 1.00 43.52 H new ATOM 0 HB3 ARG A 134 14.848 11.337 -2.898 1.00 43.52 H new ATOM 0 HG2 ARG A 134 12.552 11.893 -0.998 1.00 31.23 H new ATOM 0 HG3 ARG A 134 14.217 12.250 -0.582 1.00 31.23 H new ATOM 0 HD2 ARG A 134 12.757 13.317 -3.041 1.00 14.11 H new ATOM 0 HD3 ARG A 134 13.045 14.224 -1.570 1.00 14.11 H new ATOM 0 HE ARG A 134 15.583 13.376 -2.289 1.00 42.24 H new ATOM 0 HH11 ARG A 134 13.077 15.331 -3.875 1.00 64.52 H new ATOM 0 HH12 ARG A 134 14.237 16.143 -4.932 1.00 64.52 H new ATOM 0 HH21 ARG A 134 17.042 14.421 -3.650 1.00 1.51 H new ATOM 0 HH22 ARG A 134 16.474 15.631 -4.805 1.00 1.51 H new ATOM 2123 N LEU A 135 14.214 8.752 -4.388 1.00 53.32 N ATOM 2124 CA LEU A 135 14.921 8.101 -5.478 1.00 40.54 C ATOM 2125 C LEU A 135 13.944 7.650 -6.558 1.00 2.41 C ATOM 2126 O LEU A 135 14.116 7.966 -7.744 1.00 31.04 O ATOM 2127 CB LEU A 135 15.688 6.892 -4.938 1.00 23.20 C ATOM 2128 CG LEU A 135 16.687 7.186 -3.821 1.00 43.54 C ATOM 2129 CD1 LEU A 135 17.291 5.896 -3.292 1.00 45.25 C ATOM 2130 CD2 LEU A 135 17.775 8.126 -4.311 1.00 31.44 C ATOM 0 H LEU A 135 14.244 8.234 -3.510 1.00 53.32 H new ATOM 0 HA LEU A 135 15.619 8.813 -5.918 1.00 40.54 H new ATOM 0 HB2 LEU A 135 14.967 6.161 -4.572 1.00 23.20 H new ATOM 0 HB3 LEU A 135 16.223 6.425 -5.765 1.00 23.20 H new ATOM 0 HG LEU A 135 16.155 7.675 -3.005 1.00 43.54 H new ATOM 0 HD11 LEU A 135 18.000 6.126 -2.497 1.00 45.25 H new ATOM 0 HD12 LEU A 135 16.499 5.258 -2.899 1.00 45.25 H new ATOM 0 HD13 LEU A 135 17.807 5.378 -4.100 1.00 45.25 H new ATOM 0 HD21 LEU A 135 18.477 8.324 -3.501 1.00 31.44 H new ATOM 0 HD22 LEU A 135 18.304 7.666 -5.146 1.00 31.44 H new ATOM 0 HD23 LEU A 135 17.326 9.064 -4.638 1.00 31.44 H new ATOM 2142 N HIS A 136 12.893 6.970 -6.133 1.00 73.30 N ATOM 2143 CA HIS A 136 11.894 6.433 -7.049 1.00 75.13 C ATOM 2144 C HIS A 136 11.103 7.519 -7.754 1.00 74.33 C ATOM 2145 O HIS A 136 10.745 7.366 -8.927 1.00 52.54 O ATOM 2146 CB HIS A 136 10.958 5.426 -6.361 1.00 32.02 C ATOM 2147 CG HIS A 136 11.597 4.094 -6.076 1.00 50.23 C ATOM 2148 ND1 HIS A 136 12.460 3.721 -5.099 1.00 32.32 N flip ATOM 2149 CD2 HIS A 136 11.379 2.967 -6.832 1.00 11.23 C flip ATOM 2150 CE1 HIS A 136 12.776 2.377 -5.251 1.00 25.00 C flip ATOM 2151 NE2 HIS A 136 12.097 1.970 -6.311 1.00 62.51 N flip ATOM 0 H HIS A 136 12.706 6.774 -5.150 1.00 73.30 H new ATOM 0 HA HIS A 136 12.452 5.895 -7.815 1.00 75.13 H new ATOM 0 HB2 HIS A 136 10.604 5.856 -5.424 1.00 32.02 H new ATOM 0 HB3 HIS A 136 10.082 5.270 -6.991 1.00 32.02 H new ATOM 0 HD1 HIS A 136 12.821 4.332 -4.366 1.00 32.32 H new ATOM 0 HD2 HIS A 136 10.737 2.900 -7.698 1.00 11.23 H new ATOM 0 HE1 HIS A 136 13.437 1.788 -4.633 1.00 25.00 H new