USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 808 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 31 ASN : amide:sc= -1.84! C(o=-2.9!,f=-13!) USER MOD Set 1.2: A 34 ASN :FLIP amide:sc= -1.11 F(o=-8.7!,f=-2.9) USER MOD Single : A 13 SER OG : rot -99:sc= -1.39 USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0199) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -46:sc= 0.864 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.0533 F(o=-1.3!,f=-0.053) USER MOD Single : A 30 MET CE :methyl 169:sc= -2.62 (180deg=-3.15) USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= -0.0169 (180deg=-0.201) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 100:sc= -0.617 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 93:sc= -3.5! USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= -0.111 (180deg=-0.503) USER MOD Single : A 48 LYS NZ :NH3+ -150:sc= 1.18 (180deg=-0.668) USER MOD Single : A 49 SER OG : rot -4:sc= 0.33 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0825) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 170:sc=-0.00995 (180deg=-0.169) USER MOD Single : A 66 SER OG : rot -40:sc= 0.939 USER MOD Single : A 71 ASN : amide:sc= -1.06 K(o=-1.1,f=-3!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -8:sc= 1.14 USER MOD Single : A 85 LYS NZ :NH3+ -159:sc= 0.553 (180deg=0.264) USER MOD Single : A 88 LYS NZ :NH3+ -112:sc= 1.19 (180deg=-1.07) USER MOD Single : A 90 LYS NZ :NH3+ -160:sc= -0.0813 (180deg=-0.463) USER MOD Single : A 91 SER OG : rot 56:sc= -0.0457 USER MOD Single : A 92 LYS NZ :NH3+ 162:sc=-0.000555 (180deg=-0.365) USER MOD Single : A 100 CYS SG : rot 89:sc= 0.254 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 146:sc= 2.2 (180deg=0.794) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 13.340 0.878 1.325 1.00 0.00 N ATOM 78 CA ILE A 7 13.226 -0.468 1.918 1.00 0.00 C ATOM 79 C ILE A 7 13.163 -1.545 0.816 1.00 0.00 C ATOM 80 O ILE A 7 12.164 -1.660 0.097 1.00 0.00 O ATOM 81 CB ILE A 7 11.973 -0.637 2.835 1.00 0.00 C ATOM 82 CG1 ILE A 7 11.927 0.417 3.963 1.00 0.00 C ATOM 83 CG2 ILE A 7 11.936 -2.046 3.433 1.00 0.00 C ATOM 84 CD1 ILE A 7 11.355 1.756 3.543 1.00 0.00 C ATOM 0 HA ILE A 7 14.117 -0.591 2.534 1.00 0.00 H new ATOM 0 HB ILE A 7 11.094 -0.485 2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.332 0.024 4.788 1.00 0.00 H new ATOM 0 HG13 ILE A 7 12.937 0.570 4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.057 -2.148 4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.890 -2.781 2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 7 12.835 -2.213 4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.359 2.437 4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.962 2.175 2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.332 1.621 3.192 1.00 0.00 H new ATOM 96 N ALA A 8 14.221 -2.342 0.698 1.00 0.00 N ATOM 97 CA ALA A 8 14.282 -3.413 -0.307 1.00 0.00 C ATOM 98 C ALA A 8 13.092 -4.379 -0.176 1.00 0.00 C ATOM 99 O ALA A 8 12.459 -4.749 -1.171 1.00 0.00 O ATOM 100 CB ALA A 8 15.596 -4.173 -0.187 1.00 0.00 C ATOM 0 H ALA A 8 15.052 -2.271 1.285 1.00 0.00 H new ATOM 0 HA ALA A 8 14.226 -2.950 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.629 -4.964 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.429 -3.488 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.672 -4.613 0.807 1.00 0.00 H new ATOM 106 N GLY A 9 12.782 -4.775 1.063 1.00 0.00 N ATOM 107 CA GLY A 9 11.636 -5.649 1.313 1.00 0.00 C ATOM 108 C GLY A 9 10.305 -5.038 0.870 1.00 0.00 C ATOM 109 O GLY A 9 9.352 -5.759 0.564 1.00 0.00 O ATOM 0 H GLY A 9 13.303 -4.507 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.787 -6.594 0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.587 -5.878 2.378 1.00 0.00 H new ATOM 113 N LEU A 10 10.238 -3.707 0.833 1.00 0.00 N ATOM 114 CA LEU A 10 9.022 -3.004 0.402 1.00 0.00 C ATOM 115 C LEU A 10 8.829 -3.136 -1.116 1.00 0.00 C ATOM 116 O LEU A 10 7.715 -3.374 -1.591 1.00 0.00 O ATOM 117 CB LEU A 10 9.091 -1.523 0.804 1.00 0.00 C ATOM 118 CG LEU A 10 7.819 -0.702 0.525 1.00 0.00 C ATOM 119 CD1 LEU A 10 6.635 -1.253 1.316 1.00 0.00 C ATOM 120 CD2 LEU A 10 8.046 0.774 0.846 1.00 0.00 C ATOM 0 H LEU A 10 11.008 -3.092 1.095 1.00 0.00 H new ATOM 0 HA LEU A 10 8.166 -3.462 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.315 -1.463 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.925 -1.060 0.277 1.00 0.00 H new ATOM 0 HG LEU A 10 7.586 -0.786 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.747 -0.658 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.455 -2.289 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.856 -1.206 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.134 1.335 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.310 0.881 1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.856 1.160 0.228 1.00 0.00 H new ATOM 132 N GLU A 11 9.923 -2.990 -1.873 1.00 0.00 N ATOM 133 CA GLU A 11 9.888 -3.191 -3.327 1.00 0.00 C ATOM 134 C GLU A 11 9.388 -4.601 -3.670 1.00 0.00 C ATOM 135 O GLU A 11 8.515 -4.773 -4.522 1.00 0.00 O ATOM 136 CB GLU A 11 11.277 -2.962 -3.946 1.00 0.00 C ATOM 137 CG GLU A 11 11.755 -1.513 -3.885 1.00 0.00 C ATOM 138 CD GLU A 11 13.065 -1.289 -4.627 1.00 0.00 C ATOM 139 OE1 GLU A 11 13.122 -1.589 -5.842 1.00 0.00 O ATOM 140 OE2 GLU A 11 14.040 -0.809 -4.008 1.00 0.00 O ATOM 0 H GLU A 11 10.839 -2.735 -1.505 1.00 0.00 H new ATOM 0 HA GLU A 11 9.195 -2.462 -3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.001 -3.594 -3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.256 -3.283 -4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.988 -0.865 -4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.879 -1.220 -2.842 1.00 0.00 H new ATOM 147 N GLU A 12 9.944 -5.606 -2.994 1.00 0.00 N ATOM 148 CA GLU A 12 9.510 -6.994 -3.181 1.00 0.00 C ATOM 149 C GLU A 12 8.041 -7.185 -2.770 1.00 0.00 C ATOM 150 O GLU A 12 7.277 -7.841 -3.473 1.00 0.00 O ATOM 151 CB GLU A 12 10.413 -7.951 -2.391 1.00 0.00 C ATOM 152 CG GLU A 12 11.851 -7.983 -2.899 1.00 0.00 C ATOM 153 CD GLU A 12 12.744 -8.905 -2.084 1.00 0.00 C ATOM 154 OE1 GLU A 12 12.781 -10.120 -2.370 1.00 0.00 O ATOM 155 OE2 GLU A 12 13.414 -8.418 -1.151 1.00 0.00 O ATOM 0 H GLU A 12 10.694 -5.488 -2.313 1.00 0.00 H new ATOM 0 HA GLU A 12 9.593 -7.226 -4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.412 -7.656 -1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.995 -8.957 -2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.857 -8.306 -3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.262 -6.974 -2.877 1.00 0.00 H new ATOM 162 N SER A 13 7.648 -6.599 -1.640 1.00 0.00 N ATOM 163 CA SER A 13 6.254 -6.686 -1.165 1.00 0.00 C ATOM 164 C SER A 13 5.264 -6.208 -2.239 1.00 0.00 C ATOM 165 O SER A 13 4.332 -6.931 -2.606 1.00 0.00 O ATOM 166 CB SER A 13 6.064 -5.858 0.112 1.00 0.00 C ATOM 167 OG SER A 13 4.738 -5.967 0.601 1.00 0.00 O ATOM 0 H SER A 13 8.266 -6.060 -1.034 1.00 0.00 H new ATOM 0 HA SER A 13 6.050 -7.735 -0.948 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.765 -6.196 0.875 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.294 -4.812 -0.092 1.00 0.00 H new ATOM 0 HG SER A 13 4.221 -5.183 0.321 1.00 0.00 H new ATOM 173 N PHE A 14 5.478 -4.992 -2.743 1.00 0.00 N ATOM 174 CA PHE A 14 4.675 -4.450 -3.847 1.00 0.00 C ATOM 175 C PHE A 14 4.730 -5.379 -5.071 1.00 0.00 C ATOM 176 O PHE A 14 3.718 -5.643 -5.716 1.00 0.00 O ATOM 177 CB PHE A 14 5.180 -3.046 -4.228 1.00 0.00 C ATOM 178 CG PHE A 14 4.444 -2.405 -5.386 1.00 0.00 C ATOM 179 CD1 PHE A 14 3.309 -1.638 -5.164 1.00 0.00 C ATOM 180 CD2 PHE A 14 4.886 -2.572 -6.694 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.633 -1.050 -6.218 1.00 0.00 C ATOM 182 CE2 PHE A 14 4.210 -1.987 -7.751 1.00 0.00 C ATOM 183 CZ PHE A 14 3.082 -1.225 -7.512 1.00 0.00 C ATOM 0 H PHE A 14 6.203 -4.359 -2.405 1.00 0.00 H new ATOM 0 HA PHE A 14 3.639 -4.380 -3.515 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.097 -2.396 -3.357 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.239 -3.110 -4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.949 -1.498 -4.155 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.767 -3.165 -6.888 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.753 -0.453 -6.029 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.564 -2.126 -8.762 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.553 -0.768 -8.335 1.00 0.00 H new ATOM 193 N ARG A 15 5.928 -5.873 -5.365 1.00 0.00 N ATOM 194 CA ARG A 15 6.169 -6.763 -6.508 1.00 0.00 C ATOM 195 C ARG A 15 5.275 -8.021 -6.451 1.00 0.00 C ATOM 196 O ARG A 15 4.664 -8.406 -7.450 1.00 0.00 O ATOM 197 CB ARG A 15 7.658 -7.149 -6.516 1.00 0.00 C ATOM 198 CG ARG A 15 8.144 -7.886 -7.761 1.00 0.00 C ATOM 199 CD ARG A 15 9.660 -8.074 -7.720 1.00 0.00 C ATOM 200 NE ARG A 15 10.186 -8.712 -8.923 1.00 0.00 N ATOM 201 CZ ARG A 15 11.326 -8.401 -9.482 1.00 0.00 C ATOM 202 NH1 ARG A 15 12.052 -7.439 -9.005 1.00 0.00 N ATOM 203 NH2 ARG A 15 11.738 -9.054 -10.518 1.00 0.00 N ATOM 0 H ARG A 15 6.765 -5.670 -4.819 1.00 0.00 H new ATOM 0 HA ARG A 15 5.913 -6.240 -7.430 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.250 -6.241 -6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.857 -7.774 -5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.654 -8.857 -7.829 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.866 -7.325 -8.653 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.138 -7.103 -7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.923 -8.677 -6.851 1.00 0.00 H new ATOM 0 HE ARG A 15 9.628 -9.448 -9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.735 -6.918 -8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.940 -7.203 -9.447 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.174 -9.813 -10.900 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.628 -8.811 -10.954 1.00 0.00 H new ATOM 217 N LYS A 16 5.194 -8.649 -5.274 1.00 0.00 N ATOM 218 CA LYS A 16 4.350 -9.840 -5.080 1.00 0.00 C ATOM 219 C LYS A 16 2.852 -9.505 -5.209 1.00 0.00 C ATOM 220 O LYS A 16 2.143 -10.105 -6.017 1.00 0.00 O ATOM 221 CB LYS A 16 4.622 -10.487 -3.707 1.00 0.00 C ATOM 222 CG LYS A 16 5.831 -11.430 -3.667 1.00 0.00 C ATOM 223 CD LYS A 16 7.137 -10.729 -4.035 1.00 0.00 C ATOM 224 CE LYS A 16 8.354 -11.607 -3.763 1.00 0.00 C ATOM 225 NZ LYS A 16 8.311 -12.888 -4.513 1.00 0.00 N ATOM 0 H LYS A 16 5.701 -8.355 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 16 4.610 -10.548 -5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.772 -9.696 -2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.736 -11.043 -3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.921 -11.856 -2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.663 -12.260 -4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.116 -10.455 -5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.224 -9.803 -3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.259 -11.062 -4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.415 -11.817 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.204 -13.402 -4.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.520 -13.467 -4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.178 -12.693 -5.526 1.00 0.00 H new ATOM 239 N PHE A 17 2.372 -8.545 -4.416 1.00 0.00 N ATOM 240 CA PHE A 17 0.948 -8.174 -4.438 1.00 0.00 C ATOM 241 C PHE A 17 0.515 -7.585 -5.794 1.00 0.00 C ATOM 242 O PHE A 17 -0.648 -7.702 -6.182 1.00 0.00 O ATOM 243 CB PHE A 17 0.619 -7.193 -3.300 1.00 0.00 C ATOM 244 CG PHE A 17 0.234 -7.862 -2.001 1.00 0.00 C ATOM 245 CD1 PHE A 17 -1.041 -8.391 -1.839 1.00 0.00 C ATOM 246 CD2 PHE A 17 1.130 -7.953 -0.943 1.00 0.00 C ATOM 247 CE1 PHE A 17 -1.413 -8.997 -0.652 1.00 0.00 C ATOM 248 CE2 PHE A 17 0.757 -8.557 0.247 1.00 0.00 C ATOM 249 CZ PHE A 17 -0.514 -9.077 0.391 1.00 0.00 C ATOM 0 H PHE A 17 2.938 -8.013 -3.755 1.00 0.00 H new ATOM 0 HA PHE A 17 0.382 -9.093 -4.288 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.484 -6.554 -3.124 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.197 -6.545 -3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.751 -8.328 -2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.126 -7.549 -1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.406 -9.407 -0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.461 -8.621 1.063 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.804 -9.546 1.320 1.00 0.00 H new ATOM 259 N ALA A 18 1.443 -6.957 -6.509 1.00 0.00 N ATOM 260 CA ALA A 18 1.150 -6.404 -7.838 1.00 0.00 C ATOM 261 C ALA A 18 0.741 -7.507 -8.824 1.00 0.00 C ATOM 262 O ALA A 18 -0.325 -7.450 -9.429 1.00 0.00 O ATOM 263 CB ALA A 18 2.357 -5.641 -8.373 1.00 0.00 C ATOM 0 H ALA A 18 2.404 -6.816 -6.196 1.00 0.00 H new ATOM 0 HA ALA A 18 0.311 -5.716 -7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.125 -5.237 -9.358 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.601 -4.824 -7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.209 -6.316 -8.449 1.00 0.00 H new ATOM 269 N ILE A 19 1.589 -8.525 -8.950 1.00 0.00 N ATOM 270 CA ILE A 19 1.345 -9.637 -9.883 1.00 0.00 C ATOM 271 C ILE A 19 0.364 -10.676 -9.301 1.00 0.00 C ATOM 272 O ILE A 19 0.094 -11.709 -9.919 1.00 0.00 O ATOM 273 CB ILE A 19 2.677 -10.342 -10.246 1.00 0.00 C ATOM 274 CG1 ILE A 19 3.317 -10.959 -8.987 1.00 0.00 C ATOM 275 CG2 ILE A 19 3.634 -9.352 -10.910 1.00 0.00 C ATOM 276 CD1 ILE A 19 4.633 -11.666 -9.241 1.00 0.00 C ATOM 0 H ILE A 19 2.456 -8.608 -8.419 1.00 0.00 H new ATOM 0 HA ILE A 19 0.896 -9.207 -10.779 1.00 0.00 H new ATOM 0 HB ILE A 19 2.469 -11.146 -10.952 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.477 -10.171 -8.251 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.616 -11.668 -8.547 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.566 -9.859 -11.160 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.179 -8.960 -11.819 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.841 -8.530 -10.224 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.015 -12.071 -8.304 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.478 -12.478 -9.951 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.353 -10.958 -9.651 1.00 0.00 H new ATOM 288 N HIS A 20 -0.179 -10.381 -8.119 1.00 0.00 N ATOM 289 CA HIS A 20 -1.060 -11.309 -7.400 1.00 0.00 C ATOM 290 C HIS A 20 -2.344 -11.639 -8.182 1.00 0.00 C ATOM 291 O HIS A 20 -2.848 -12.761 -8.115 1.00 0.00 O ATOM 292 CB HIS A 20 -1.422 -10.717 -6.033 1.00 0.00 C ATOM 293 CG HIS A 20 -2.342 -11.577 -5.226 1.00 0.00 C ATOM 294 ND1 HIS A 20 -1.936 -12.744 -4.628 1.00 0.00 N ATOM 295 CD2 HIS A 20 -3.659 -11.448 -4.939 1.00 0.00 C ATOM 296 CE1 HIS A 20 -2.956 -13.298 -4.011 1.00 0.00 C ATOM 297 NE2 HIS A 20 -4.017 -12.535 -4.181 1.00 0.00 N ATOM 0 H HIS A 20 -0.023 -9.498 -7.633 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.513 -12.244 -7.276 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.506 -10.550 -5.466 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.888 -9.743 -6.181 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.307 -10.641 -5.249 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.929 -14.225 -3.457 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.949 -12.721 -3.811 1.00 0.00 H new ATOM 306 N GLY A 21 -2.883 -10.656 -8.893 1.00 0.00 N ATOM 307 CA GLY A 21 -4.115 -10.869 -9.656 1.00 0.00 C ATOM 308 C GLY A 21 -3.980 -10.492 -11.125 1.00 0.00 C ATOM 309 O GLY A 21 -4.936 -10.611 -11.901 1.00 0.00 O ATOM 0 H GLY A 21 -2.496 -9.715 -8.960 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.405 -11.917 -9.581 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.918 -10.283 -9.209 1.00 0.00 H new ATOM 313 N ASP A 22 -2.792 -10.036 -11.499 1.00 0.00 N ATOM 314 CA ASP A 22 -2.508 -9.597 -12.862 1.00 0.00 C ATOM 315 C ASP A 22 -1.002 -9.705 -13.175 1.00 0.00 C ATOM 316 O ASP A 22 -0.235 -8.772 -12.944 1.00 0.00 O ATOM 317 CB ASP A 22 -3.029 -8.162 -13.091 1.00 0.00 C ATOM 318 CG ASP A 22 -2.710 -7.196 -11.952 1.00 0.00 C ATOM 319 OD1 ASP A 22 -2.941 -7.549 -10.774 1.00 0.00 O ATOM 320 OD2 ASP A 22 -2.259 -6.066 -12.239 1.00 0.00 O ATOM 0 H ASP A 22 -1.996 -9.959 -10.866 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.034 -10.258 -13.551 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.599 -7.773 -14.014 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.109 -8.197 -13.232 1.00 0.00 H new ATOM 325 N PRO A 23 -0.561 -10.870 -13.693 1.00 0.00 N ATOM 326 CA PRO A 23 0.863 -11.132 -13.994 1.00 0.00 C ATOM 327 C PRO A 23 1.527 -10.051 -14.868 1.00 0.00 C ATOM 328 O PRO A 23 2.727 -9.800 -14.749 1.00 0.00 O ATOM 329 CB PRO A 23 0.821 -12.469 -14.745 1.00 0.00 C ATOM 330 CG PRO A 23 -0.416 -13.139 -14.251 1.00 0.00 C ATOM 331 CD PRO A 23 -1.412 -12.034 -14.013 1.00 0.00 C ATOM 0 HA PRO A 23 1.460 -11.140 -13.082 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.786 -12.317 -15.824 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.707 -13.069 -14.537 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.792 -13.854 -14.982 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.221 -13.694 -13.334 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.028 -11.852 -14.894 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.090 -12.274 -13.194 1.00 0.00 H new ATOM 339 N LYS A 24 0.749 -9.396 -15.728 1.00 0.00 N ATOM 340 CA LYS A 24 1.299 -8.400 -16.654 1.00 0.00 C ATOM 341 C LYS A 24 1.518 -7.044 -15.964 1.00 0.00 C ATOM 342 O LYS A 24 1.901 -6.060 -16.601 1.00 0.00 O ATOM 343 CB LYS A 24 0.388 -8.258 -17.880 1.00 0.00 C ATOM 344 CG LYS A 24 0.154 -9.586 -18.600 1.00 0.00 C ATOM 345 CD LYS A 24 -0.598 -9.416 -19.918 1.00 0.00 C ATOM 346 CE LYS A 24 -1.983 -8.806 -19.728 1.00 0.00 C ATOM 347 NZ LYS A 24 -2.752 -8.800 -21.000 1.00 0.00 N ATOM 0 H LYS A 24 -0.259 -9.534 -15.805 1.00 0.00 H new ATOM 0 HA LYS A 24 2.276 -8.750 -16.986 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.571 -7.845 -17.568 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.831 -7.546 -18.576 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.114 -10.064 -18.793 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.409 -10.254 -17.948 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.014 -8.782 -20.586 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.696 -10.387 -20.404 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.530 -9.370 -18.973 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.885 -7.786 -19.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.689 -8.379 -20.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.240 -8.241 -21.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.865 -9.776 -21.342 1.00 0.00 H new ATOM 361 N ALA A 25 1.263 -6.997 -14.656 1.00 0.00 N ATOM 362 CA ALA A 25 1.631 -5.839 -13.842 1.00 0.00 C ATOM 363 C ALA A 25 3.161 -5.661 -13.808 1.00 0.00 C ATOM 364 O ALA A 25 3.664 -4.541 -13.702 1.00 0.00 O ATOM 365 CB ALA A 25 1.087 -5.992 -12.427 1.00 0.00 C ATOM 0 H ALA A 25 0.804 -7.746 -14.139 1.00 0.00 H new ATOM 0 HA ALA A 25 1.191 -4.950 -14.293 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.369 -5.123 -11.833 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.000 -6.071 -12.462 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.502 -6.892 -11.973 1.00 0.00 H new ATOM 371 N SER A 26 3.884 -6.788 -13.882 1.00 0.00 N ATOM 372 CA SER A 26 5.362 -6.796 -13.947 1.00 0.00 C ATOM 373 C SER A 26 6.010 -6.105 -12.730 1.00 0.00 C ATOM 374 O SER A 26 7.176 -5.712 -12.772 1.00 0.00 O ATOM 375 CB SER A 26 5.833 -6.125 -15.251 1.00 0.00 C ATOM 376 OG SER A 26 7.243 -6.208 -15.407 1.00 0.00 O ATOM 0 H SER A 26 3.467 -7.719 -13.899 1.00 0.00 H new ATOM 0 HA SER A 26 5.682 -7.838 -13.931 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.344 -6.600 -16.102 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.528 -5.079 -15.252 1.00 0.00 H new ATOM 0 HG SER A 26 7.680 -5.967 -14.564 1.00 0.00 H new ATOM 382 N GLY A 27 5.258 -5.978 -11.637 1.00 0.00 N ATOM 383 CA GLY A 27 5.760 -5.271 -10.458 1.00 0.00 C ATOM 384 C GLY A 27 5.880 -3.765 -10.678 1.00 0.00 C ATOM 385 O GLY A 27 6.494 -3.053 -9.883 1.00 0.00 O ATOM 0 H GLY A 27 4.313 -6.349 -11.543 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.093 -5.459 -9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.736 -5.673 -10.187 1.00 0.00 H new ATOM 389 N GLN A 28 5.300 -3.287 -11.775 1.00 0.00 N ATOM 390 CA GLN A 28 5.286 -1.859 -12.095 1.00 0.00 C ATOM 391 C GLN A 28 4.008 -1.196 -11.572 1.00 0.00 C ATOM 392 O GLN A 28 4.029 -0.065 -11.083 1.00 0.00 O ATOM 393 CB GLN A 28 5.374 -1.657 -13.617 1.00 0.00 C ATOM 394 CG GLN A 28 5.364 -0.190 -14.046 1.00 0.00 C ATOM 395 CD GLN A 28 5.144 -0.001 -15.540 1.00 0.00 C ATOM 396 OE1 GLN A 28 4.367 -0.874 -16.153 1.00 0.00 O flip ATOM 397 NE2 GLN A 28 5.645 0.948 -16.138 1.00 0.00 N flip ATOM 0 H GLN A 28 4.829 -3.872 -12.465 1.00 0.00 H new ATOM 0 HA GLN A 28 6.147 -1.397 -11.613 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.286 -2.127 -13.984 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.538 -2.170 -14.091 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.580 0.335 -13.501 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.311 0.270 -13.764 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.242 1.608 -15.639 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.464 1.076 -17.134 1.00 0.00 H new ATOM 406 N GLU A 29 2.899 -1.921 -11.677 1.00 0.00 N ATOM 407 CA GLU A 29 1.575 -1.374 -11.369 1.00 0.00 C ATOM 408 C GLU A 29 0.780 -2.313 -10.446 1.00 0.00 C ATOM 409 O GLU A 29 1.011 -3.521 -10.430 1.00 0.00 O ATOM 410 CB GLU A 29 0.802 -1.159 -12.680 1.00 0.00 C ATOM 411 CG GLU A 29 1.534 -0.289 -13.701 1.00 0.00 C ATOM 412 CD GLU A 29 0.805 -0.195 -15.038 1.00 0.00 C ATOM 413 OE1 GLU A 29 0.790 -1.202 -15.783 1.00 0.00 O ATOM 414 OE2 GLU A 29 0.258 0.888 -15.355 1.00 0.00 O ATOM 0 H GLU A 29 2.888 -2.896 -11.975 1.00 0.00 H new ATOM 0 HA GLU A 29 1.706 -0.425 -10.848 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.593 -2.130 -13.129 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.160 -0.700 -12.451 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.660 0.713 -13.291 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.532 -0.694 -13.866 1.00 0.00 H new ATOM 421 N MET A 30 -0.157 -1.751 -9.683 1.00 0.00 N ATOM 422 CA MET A 30 -1.027 -2.544 -8.801 1.00 0.00 C ATOM 423 C MET A 30 -2.481 -2.048 -8.863 1.00 0.00 C ATOM 424 O MET A 30 -2.738 -0.844 -8.843 1.00 0.00 O ATOM 425 CB MET A 30 -0.515 -2.485 -7.354 1.00 0.00 C ATOM 426 CG MET A 30 -1.372 -3.268 -6.364 1.00 0.00 C ATOM 427 SD MET A 30 -0.737 -3.201 -4.679 1.00 0.00 S ATOM 428 CE MET A 30 0.849 -4.004 -4.890 1.00 0.00 C ATOM 0 H MET A 30 -0.337 -0.747 -9.655 1.00 0.00 H new ATOM 0 HA MET A 30 -1.003 -3.577 -9.148 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.504 -2.872 -7.323 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.470 -1.443 -7.037 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.388 -2.874 -6.380 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.429 -4.308 -6.684 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.447 -3.870 -3.989 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.697 -5.068 -5.070 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.370 -3.563 -5.740 1.00 0.00 H new ATOM 438 N ASN A 31 -3.429 -2.984 -8.938 1.00 0.00 N ATOM 439 CA ASN A 31 -4.858 -2.642 -9.014 1.00 0.00 C ATOM 440 C ASN A 31 -5.498 -2.532 -7.617 1.00 0.00 C ATOM 441 O ASN A 31 -4.930 -2.979 -6.619 1.00 0.00 O ATOM 442 CB ASN A 31 -5.614 -3.685 -9.847 1.00 0.00 C ATOM 443 CG ASN A 31 -5.572 -5.061 -9.213 1.00 0.00 C ATOM 444 OD1 ASN A 31 -6.383 -5.382 -8.357 1.00 0.00 O ATOM 445 ND2 ASN A 31 -4.642 -5.887 -9.630 1.00 0.00 N ATOM 0 H ASN A 31 -3.237 -3.986 -8.948 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.931 -1.667 -9.496 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.651 -3.372 -9.964 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.181 -3.733 -10.846 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.582 -6.827 -9.238 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.979 -5.589 -10.346 1.00 0.00 H new ATOM 452 N GLY A 32 -6.702 -1.958 -7.568 1.00 0.00 N ATOM 453 CA GLY A 32 -7.403 -1.749 -6.301 1.00 0.00 C ATOM 454 C GLY A 32 -7.813 -3.040 -5.588 1.00 0.00 C ATOM 455 O GLY A 32 -8.041 -3.037 -4.378 1.00 0.00 O ATOM 0 H GLY A 32 -7.210 -1.631 -8.389 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.763 -1.168 -5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.295 -1.151 -6.487 1.00 0.00 H new ATOM 459 N LYS A 33 -7.918 -4.144 -6.329 1.00 0.00 N ATOM 460 CA LYS A 33 -8.291 -5.433 -5.730 1.00 0.00 C ATOM 461 C LYS A 33 -7.123 -6.030 -4.925 1.00 0.00 C ATOM 462 O LYS A 33 -7.279 -6.383 -3.755 1.00 0.00 O ATOM 463 CB LYS A 33 -8.758 -6.422 -6.810 1.00 0.00 C ATOM 464 CG LYS A 33 -9.135 -7.795 -6.259 1.00 0.00 C ATOM 465 CD LYS A 33 -9.655 -8.729 -7.350 1.00 0.00 C ATOM 466 CE LYS A 33 -10.057 -10.087 -6.784 1.00 0.00 C ATOM 467 NZ LYS A 33 -11.180 -9.980 -5.816 1.00 0.00 N ATOM 0 H LYS A 33 -7.753 -4.176 -7.335 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.119 -5.253 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.618 -6.000 -7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.966 -6.541 -7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.265 -8.245 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.897 -7.679 -5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.513 -8.271 -7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.886 -8.865 -8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.345 -10.749 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.198 -10.543 -6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.565 -10.927 -5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.835 -9.561 -4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.927 -9.377 -6.216 1.00 0.00 H new ATOM 481 N ASN A 34 -5.951 -6.137 -5.554 1.00 0.00 N ATOM 482 CA ASN A 34 -4.753 -6.631 -4.859 1.00 0.00 C ATOM 483 C ASN A 34 -4.354 -5.678 -3.720 1.00 0.00 C ATOM 484 O ASN A 34 -3.927 -6.116 -2.652 1.00 0.00 O ATOM 485 CB ASN A 34 -3.581 -6.800 -5.833 1.00 0.00 C ATOM 486 CG ASN A 34 -3.885 -7.766 -6.970 1.00 0.00 C ATOM 487 OD1 ASN A 34 -3.180 -7.620 -8.072 1.00 0.00 O flip ATOM 488 ND2 ASN A 34 -4.724 -8.653 -6.849 1.00 0.00 N flip ATOM 0 H ASN A 34 -5.803 -5.892 -6.533 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.994 -7.606 -4.436 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.320 -5.827 -6.250 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.709 -7.156 -5.285 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.254 -8.739 -5.982 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.892 -9.304 -7.616 1.00 0.00 H new ATOM 495 N TRP A 35 -4.497 -4.374 -3.967 1.00 0.00 N ATOM 496 CA TRP A 35 -4.269 -3.345 -2.940 1.00 0.00 C ATOM 497 C TRP A 35 -5.219 -3.527 -1.740 1.00 0.00 C ATOM 498 O TRP A 35 -4.826 -3.345 -0.582 1.00 0.00 O ATOM 499 CB TRP A 35 -4.449 -1.950 -3.568 1.00 0.00 C ATOM 500 CG TRP A 35 -4.596 -0.827 -2.579 1.00 0.00 C ATOM 501 CD1 TRP A 35 -5.726 -0.098 -2.347 1.00 0.00 C ATOM 502 CD2 TRP A 35 -3.598 -0.309 -1.688 1.00 0.00 C ATOM 503 NE1 TRP A 35 -5.490 0.850 -1.386 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.193 0.741 -0.963 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.259 -0.621 -1.439 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -3.500 1.470 -0.001 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.574 0.103 -0.482 1.00 0.00 C ATOM 508 CH2 TRP A 35 -2.193 1.140 0.223 1.00 0.00 C ATOM 0 H TRP A 35 -4.772 -4.000 -4.875 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.251 -3.446 -2.565 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.592 -1.742 -4.208 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.329 -1.967 -4.210 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.671 -0.247 -2.849 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.171 1.527 -1.042 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.768 -1.414 -1.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.978 2.268 0.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.541 -0.136 -0.275 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.627 1.691 0.959 1.00 0.00 H new ATOM 519 N ALA A 36 -6.468 -3.897 -2.026 1.00 0.00 N ATOM 520 CA ALA A 36 -7.464 -4.148 -0.979 1.00 0.00 C ATOM 521 C ALA A 36 -7.019 -5.281 -0.038 1.00 0.00 C ATOM 522 O ALA A 36 -7.117 -5.158 1.188 1.00 0.00 O ATOM 523 CB ALA A 36 -8.818 -4.471 -1.604 1.00 0.00 C ATOM 0 H ALA A 36 -6.816 -4.030 -2.975 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.558 -3.241 -0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.548 -4.655 -0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.147 -3.630 -2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.727 -5.359 -2.229 1.00 0.00 H new ATOM 529 N LYS A 37 -6.523 -6.383 -0.605 1.00 0.00 N ATOM 530 CA LYS A 37 -6.009 -7.485 0.215 1.00 0.00 C ATOM 531 C LYS A 37 -4.653 -7.128 0.831 1.00 0.00 C ATOM 532 O LYS A 37 -4.340 -7.558 1.933 1.00 0.00 O ATOM 533 CB LYS A 37 -5.887 -8.796 -0.579 1.00 0.00 C ATOM 534 CG LYS A 37 -5.404 -9.963 0.288 1.00 0.00 C ATOM 535 CD LYS A 37 -5.487 -11.315 -0.415 1.00 0.00 C ATOM 536 CE LYS A 37 -4.979 -12.434 0.495 1.00 0.00 C ATOM 537 NZ LYS A 37 -5.246 -13.786 -0.062 1.00 0.00 N ATOM 0 H LYS A 37 -6.466 -6.537 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.736 -7.641 1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.855 -9.046 -1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.194 -8.652 -1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.372 -9.780 0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.999 -9.999 1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.518 -11.516 -0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.897 -11.290 -1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.907 -12.314 0.650 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.454 -12.347 1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.883 -14.509 0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.271 -13.914 -0.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.772 -13.882 -0.982 1.00 0.00 H new ATOM 551 N LEU A 38 -3.852 -6.337 0.120 1.00 0.00 N ATOM 552 CA LEU A 38 -2.552 -5.891 0.639 1.00 0.00 C ATOM 553 C LEU A 38 -2.715 -5.283 2.042 1.00 0.00 C ATOM 554 O LEU A 38 -2.032 -5.677 2.988 1.00 0.00 O ATOM 555 CB LEU A 38 -1.918 -4.875 -0.338 1.00 0.00 C ATOM 556 CG LEU A 38 -0.429 -4.525 -0.101 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.156 -3.834 -1.327 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.239 -3.638 1.131 1.00 0.00 C ATOM 0 H LEU A 38 -4.075 -5.991 -0.813 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.886 -6.750 0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.019 -5.266 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.497 -3.952 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 38 0.098 -5.462 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.204 -3.594 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.080 -4.497 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.397 -2.916 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.820 -3.417 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.791 -2.707 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.611 -4.157 2.014 1.00 0.00 H new ATOM 570 N CYS A 39 -3.648 -4.342 2.168 1.00 0.00 N ATOM 571 CA CYS A 39 -3.917 -3.682 3.451 1.00 0.00 C ATOM 572 C CYS A 39 -4.565 -4.637 4.469 1.00 0.00 C ATOM 573 O CYS A 39 -4.107 -4.745 5.609 1.00 0.00 O ATOM 574 CB CYS A 39 -4.814 -2.457 3.238 1.00 0.00 C ATOM 575 SG CYS A 39 -4.085 -1.186 2.177 1.00 0.00 S ATOM 0 H CYS A 39 -4.233 -4.017 1.398 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.958 -3.366 3.861 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.758 -2.782 2.801 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.046 -2.017 4.208 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.573 -1.290 0.977 1.00 0.00 H new ATOM 581 N LYS A 40 -5.624 -5.336 4.060 1.00 0.00 N ATOM 582 CA LYS A 40 -6.364 -6.218 4.976 1.00 0.00 C ATOM 583 C LYS A 40 -5.501 -7.397 5.467 1.00 0.00 C ATOM 584 O LYS A 40 -5.448 -7.684 6.661 1.00 0.00 O ATOM 585 CB LYS A 40 -7.638 -6.741 4.300 1.00 0.00 C ATOM 586 CG LYS A 40 -8.570 -7.483 5.257 1.00 0.00 C ATOM 587 CD LYS A 40 -9.827 -7.988 4.554 1.00 0.00 C ATOM 588 CE LYS A 40 -10.808 -8.611 5.544 1.00 0.00 C ATOM 589 NZ LYS A 40 -11.998 -9.186 4.864 1.00 0.00 N ATOM 0 H LYS A 40 -5.990 -5.312 3.108 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.636 -5.625 5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.176 -5.903 3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.360 -7.408 3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.039 -8.326 5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.853 -6.820 6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.310 -7.162 4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.552 -8.725 3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.303 -9.392 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.130 -7.854 6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.638 -9.598 5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.496 -8.436 4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.694 -9.926 4.200 1.00 0.00 H new ATOM 603 N ASP A 41 -4.821 -8.062 4.537 1.00 0.00 N ATOM 604 CA ASP A 41 -3.953 -9.206 4.857 1.00 0.00 C ATOM 605 C ASP A 41 -2.757 -8.765 5.729 1.00 0.00 C ATOM 606 O ASP A 41 -2.289 -9.512 6.590 1.00 0.00 O ATOM 607 CB ASP A 41 -3.462 -9.855 3.555 1.00 0.00 C ATOM 608 CG ASP A 41 -2.863 -11.234 3.762 1.00 0.00 C ATOM 609 OD1 ASP A 41 -1.672 -11.327 4.119 1.00 0.00 O ATOM 610 OD2 ASP A 41 -3.578 -12.238 3.550 1.00 0.00 O ATOM 0 H ASP A 41 -4.851 -7.830 3.544 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.527 -9.936 5.428 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.296 -9.929 2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.716 -9.208 3.093 1.00 0.00 H new ATOM 615 N CYS A 42 -2.262 -7.547 5.486 1.00 0.00 N ATOM 616 CA CYS A 42 -1.203 -6.954 6.322 1.00 0.00 C ATOM 617 C CYS A 42 -1.796 -6.153 7.491 1.00 0.00 C ATOM 618 O CYS A 42 -1.064 -5.559 8.287 1.00 0.00 O ATOM 619 CB CYS A 42 -0.293 -6.055 5.479 1.00 0.00 C ATOM 620 SG CYS A 42 0.501 -6.905 4.092 1.00 0.00 S ATOM 0 H CYS A 42 -2.574 -6.950 4.720 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.612 -7.771 6.735 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.880 -5.221 5.093 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.479 -5.631 6.122 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.233 -6.777 3.027 1.00 0.00 H new ATOM 626 N LYS A 43 -3.127 -6.152 7.578 1.00 0.00 N ATOM 627 CA LYS A 43 -3.865 -5.508 8.661 1.00 0.00 C ATOM 628 C LYS A 43 -3.480 -4.036 8.868 1.00 0.00 C ATOM 629 O LYS A 43 -3.492 -3.524 9.989 1.00 0.00 O ATOM 630 CB LYS A 43 -3.693 -6.333 9.929 1.00 0.00 C ATOM 631 CG LYS A 43 -4.074 -7.793 9.708 1.00 0.00 C ATOM 632 CD LYS A 43 -4.224 -8.542 11.013 1.00 0.00 C ATOM 633 CE LYS A 43 -4.768 -9.949 10.797 1.00 0.00 C ATOM 634 NZ LYS A 43 -6.084 -9.933 10.105 1.00 0.00 N ATOM 0 H LYS A 43 -3.728 -6.604 6.889 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.920 -5.479 8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.657 -6.274 10.264 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.309 -5.912 10.723 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.010 -7.843 9.151 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.313 -8.278 9.097 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.257 -8.599 11.513 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.893 -7.991 11.674 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.055 -10.528 10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.870 -10.451 11.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.575 -10.835 10.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.661 -9.151 10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.938 -9.802 9.084 1.00 0.00 H new ATOM 648 N VAL A 44 -3.162 -3.351 7.771 1.00 0.00 N ATOM 649 CA VAL A 44 -3.035 -1.895 7.791 1.00 0.00 C ATOM 650 C VAL A 44 -4.403 -1.263 8.100 1.00 0.00 C ATOM 651 O VAL A 44 -4.507 -0.274 8.827 1.00 0.00 O ATOM 652 CB VAL A 44 -2.497 -1.351 6.442 1.00 0.00 C ATOM 653 CG1 VAL A 44 -2.313 0.163 6.506 1.00 0.00 C ATOM 654 CG2 VAL A 44 -1.185 -2.043 6.067 1.00 0.00 C ATOM 0 H VAL A 44 -2.988 -3.778 6.861 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.319 -1.628 8.568 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.231 -1.571 5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.935 0.524 5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.271 0.637 6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.602 0.410 7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.824 -1.648 5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.442 -1.859 6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.353 -3.116 5.973 1.00 0.00 H new ATOM 664 N ALA A 45 -5.450 -1.876 7.550 1.00 0.00 N ATOM 665 CA ALA A 45 -6.835 -1.498 7.836 1.00 0.00 C ATOM 666 C ALA A 45 -7.445 -2.441 8.888 1.00 0.00 C ATOM 667 O ALA A 45 -8.527 -2.999 8.693 1.00 0.00 O ATOM 668 CB ALA A 45 -7.650 -1.530 6.548 1.00 0.00 C ATOM 0 H ALA A 45 -5.363 -2.650 6.892 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.852 -0.486 8.241 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.681 -1.248 6.763 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.224 -0.829 5.830 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.629 -2.536 6.129 1.00 0.00 H new ATOM 674 N ASP A 46 -6.737 -2.609 10.005 1.00 0.00 N ATOM 675 CA ASP A 46 -7.144 -3.551 11.059 1.00 0.00 C ATOM 676 C ASP A 46 -8.474 -3.137 11.723 1.00 0.00 C ATOM 677 O ASP A 46 -9.229 -3.985 12.210 1.00 0.00 O ATOM 678 CB ASP A 46 -6.029 -3.656 12.110 1.00 0.00 C ATOM 679 CG ASP A 46 -6.246 -4.798 13.088 1.00 0.00 C ATOM 680 OD1 ASP A 46 -5.846 -5.939 12.778 1.00 0.00 O ATOM 681 OD2 ASP A 46 -6.806 -4.565 14.175 1.00 0.00 O ATOM 0 H ASP A 46 -5.874 -2.104 10.208 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.307 -4.525 10.598 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.072 -3.793 11.606 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.967 -2.718 12.662 1.00 0.00 H new ATOM 686 N GLY A 47 -8.761 -1.836 11.727 1.00 0.00 N ATOM 687 CA GLY A 47 -9.983 -1.336 12.352 1.00 0.00 C ATOM 688 C GLY A 47 -9.775 -0.055 13.157 1.00 0.00 C ATOM 689 O GLY A 47 -10.328 0.992 12.820 1.00 0.00 O ATOM 0 H GLY A 47 -8.171 -1.117 11.309 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.729 -1.153 11.578 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.388 -2.107 13.008 1.00 0.00 H new ATOM 693 N LYS A 48 -8.951 -0.132 14.208 1.00 0.00 N ATOM 694 CA LYS A 48 -8.732 1.007 15.130 1.00 0.00 C ATOM 695 C LYS A 48 -7.914 2.162 14.504 1.00 0.00 C ATOM 696 O LYS A 48 -7.352 2.994 15.222 1.00 0.00 O ATOM 697 CB LYS A 48 -8.042 0.537 16.428 1.00 0.00 C ATOM 698 CG LYS A 48 -6.626 -0.026 16.245 1.00 0.00 C ATOM 699 CD LYS A 48 -6.629 -1.508 15.865 1.00 0.00 C ATOM 700 CE LYS A 48 -7.208 -2.374 16.982 1.00 0.00 C ATOM 701 NZ LYS A 48 -7.269 -3.807 16.600 1.00 0.00 N ATOM 0 H LYS A 48 -8.420 -0.969 14.448 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.724 1.399 15.353 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.996 1.377 17.121 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.663 -0.228 16.895 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.109 0.543 15.472 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.063 0.108 17.169 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.212 -1.650 14.955 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.611 -1.830 15.645 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.599 -2.264 17.879 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.209 -2.022 17.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.067 -4.263 17.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.401 -3.887 15.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.382 -4.277 16.873 1.00 0.00 H new ATOM 715 N SER A 49 -7.853 2.225 13.174 1.00 0.00 N ATOM 716 CA SER A 49 -7.168 3.325 12.481 1.00 0.00 C ATOM 717 C SER A 49 -7.756 3.540 11.083 1.00 0.00 C ATOM 718 O SER A 49 -8.334 4.586 10.788 1.00 0.00 O ATOM 719 CB SER A 49 -5.663 3.040 12.362 1.00 0.00 C ATOM 720 OG SER A 49 -5.056 2.872 13.634 1.00 0.00 O ATOM 0 H SER A 49 -8.268 1.530 12.553 1.00 0.00 H new ATOM 0 HA SER A 49 -7.316 4.229 13.072 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.509 2.141 11.764 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.178 3.861 11.834 1.00 0.00 H new ATOM 0 HG SER A 49 -5.719 3.035 14.337 1.00 0.00 H new ATOM 726 N VAL A 50 -7.596 2.535 10.226 1.00 0.00 N ATOM 727 CA VAL A 50 -8.095 2.582 8.846 1.00 0.00 C ATOM 728 C VAL A 50 -9.081 1.430 8.580 1.00 0.00 C ATOM 729 O VAL A 50 -8.994 0.375 9.210 1.00 0.00 O ATOM 730 CB VAL A 50 -6.919 2.490 7.836 1.00 0.00 C ATOM 731 CG1 VAL A 50 -7.417 2.581 6.394 1.00 0.00 C ATOM 732 CG2 VAL A 50 -5.872 3.571 8.115 1.00 0.00 C ATOM 0 H VAL A 50 -7.119 1.665 10.463 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.612 3.532 8.714 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.448 1.516 7.967 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.570 2.513 5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.109 1.762 6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.928 3.532 6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.059 3.485 7.394 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.333 4.555 8.027 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.478 3.444 9.123 1.00 0.00 H new ATOM 742 N THR A 51 -10.017 1.640 7.654 1.00 0.00 N ATOM 743 CA THR A 51 -10.993 0.604 7.270 1.00 0.00 C ATOM 744 C THR A 51 -10.854 0.236 5.787 1.00 0.00 C ATOM 745 O THR A 51 -10.399 1.050 4.983 1.00 0.00 O ATOM 746 CB THR A 51 -12.450 1.061 7.525 1.00 0.00 C ATOM 747 OG1 THR A 51 -12.771 2.191 6.695 1.00 0.00 O ATOM 748 CG2 THR A 51 -12.662 1.423 8.993 1.00 0.00 C ATOM 0 H THR A 51 -10.125 2.520 7.150 1.00 0.00 H new ATOM 0 HA THR A 51 -10.777 -0.265 7.891 1.00 0.00 H new ATOM 0 HB THR A 51 -13.111 0.231 7.274 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.695 2.469 6.864 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.694 1.741 9.144 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.455 0.553 9.616 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.989 2.235 9.269 1.00 0.00 H new ATOM 756 N GLY A 52 -11.258 -0.988 5.425 1.00 0.00 N ATOM 757 CA GLY A 52 -11.179 -1.438 4.030 1.00 0.00 C ATOM 758 C GLY A 52 -11.835 -0.471 3.043 1.00 0.00 C ATOM 759 O GLY A 52 -11.302 -0.206 1.960 1.00 0.00 O ATOM 0 H GLY A 52 -11.639 -1.678 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.132 -1.570 3.757 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.656 -2.414 3.943 1.00 0.00 H new ATOM 763 N THR A 53 -12.995 0.059 3.425 1.00 0.00 N ATOM 764 CA THR A 53 -13.694 1.066 2.620 1.00 0.00 C ATOM 765 C THR A 53 -12.785 2.270 2.343 1.00 0.00 C ATOM 766 O THR A 53 -12.638 2.707 1.200 1.00 0.00 O ATOM 767 CB THR A 53 -14.980 1.560 3.330 1.00 0.00 C ATOM 768 OG1 THR A 53 -15.841 0.445 3.626 1.00 0.00 O ATOM 769 CG2 THR A 53 -15.732 2.576 2.474 1.00 0.00 C ATOM 0 H THR A 53 -13.474 -0.191 4.290 1.00 0.00 H new ATOM 0 HA THR A 53 -13.967 0.591 1.678 1.00 0.00 H new ATOM 0 HB THR A 53 -14.682 2.048 4.258 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.650 0.767 4.076 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.629 2.903 3.001 1.00 0.00 H new ATOM 0 HG22 THR A 53 -15.090 3.436 2.282 1.00 0.00 H new ATOM 0 HG23 THR A 53 -16.014 2.116 1.527 1.00 0.00 H new ATOM 777 N ASP A 54 -12.164 2.786 3.402 1.00 0.00 N ATOM 778 CA ASP A 54 -11.247 3.921 3.291 1.00 0.00 C ATOM 779 C ASP A 54 -10.038 3.567 2.404 1.00 0.00 C ATOM 780 O ASP A 54 -9.562 4.392 1.627 1.00 0.00 O ATOM 781 CB ASP A 54 -10.789 4.356 4.688 1.00 0.00 C ATOM 782 CG ASP A 54 -9.971 5.631 4.658 1.00 0.00 C ATOM 783 OD1 ASP A 54 -10.575 6.725 4.576 1.00 0.00 O ATOM 784 OD2 ASP A 54 -8.728 5.553 4.716 1.00 0.00 O ATOM 0 H ASP A 54 -12.280 2.434 4.352 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.772 4.751 2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.662 4.503 5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.197 3.559 5.138 1.00 0.00 H new ATOM 789 N VAL A 55 -9.567 2.325 2.516 1.00 0.00 N ATOM 790 CA VAL A 55 -8.464 1.824 1.683 1.00 0.00 C ATOM 791 C VAL A 55 -8.783 1.938 0.180 1.00 0.00 C ATOM 792 O VAL A 55 -7.903 2.242 -0.634 1.00 0.00 O ATOM 793 CB VAL A 55 -8.133 0.348 2.033 1.00 0.00 C ATOM 794 CG1 VAL A 55 -7.099 -0.238 1.074 1.00 0.00 C ATOM 795 CG2 VAL A 55 -7.646 0.236 3.477 1.00 0.00 C ATOM 0 H VAL A 55 -9.932 1.641 3.178 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.597 2.449 1.897 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.050 -0.231 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.892 -1.272 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.487 -0.204 0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.179 0.344 1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.419 -0.805 3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.748 0.840 3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.424 0.594 4.152 1.00 0.00 H new ATOM 805 N ASP A 56 -10.047 1.718 -0.182 1.00 0.00 N ATOM 806 CA ASP A 56 -10.474 1.822 -1.582 1.00 0.00 C ATOM 807 C ASP A 56 -10.426 3.291 -2.027 1.00 0.00 C ATOM 808 O ASP A 56 -9.934 3.632 -3.107 1.00 0.00 O ATOM 809 CB ASP A 56 -11.897 1.260 -1.729 1.00 0.00 C ATOM 810 CG ASP A 56 -12.406 1.278 -3.164 1.00 0.00 C ATOM 811 OD1 ASP A 56 -12.830 2.351 -3.639 1.00 0.00 O ATOM 812 OD2 ASP A 56 -12.409 0.210 -3.818 1.00 0.00 O ATOM 0 H ASP A 56 -10.791 1.468 0.469 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.802 1.243 -2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.916 0.236 -1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.576 1.839 -1.103 1.00 0.00 H new ATOM 817 N ILE A 57 -10.922 4.149 -1.149 1.00 0.00 N ATOM 818 CA ILE A 57 -10.968 5.593 -1.378 1.00 0.00 C ATOM 819 C ILE A 57 -9.556 6.188 -1.535 1.00 0.00 C ATOM 820 O ILE A 57 -9.301 6.983 -2.442 1.00 0.00 O ATOM 821 CB ILE A 57 -11.697 6.273 -0.198 1.00 0.00 C ATOM 822 CG1 ILE A 57 -13.044 5.569 0.053 1.00 0.00 C ATOM 823 CG2 ILE A 57 -11.896 7.770 -0.459 1.00 0.00 C ATOM 824 CD1 ILE A 57 -14.138 5.937 -0.931 1.00 0.00 C ATOM 0 H ILE A 57 -11.308 3.865 -0.249 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.508 5.775 -2.307 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.080 6.181 0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.888 4.491 0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.383 5.809 1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.412 8.222 0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.926 8.249 -0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -12.493 7.906 -1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -15.050 5.396 -0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -14.327 7.009 -0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.824 5.670 -1.940 1.00 0.00 H new ATOM 836 N VAL A 58 -8.643 5.790 -0.646 1.00 0.00 N ATOM 837 CA VAL A 58 -7.242 6.226 -0.713 1.00 0.00 C ATOM 838 C VAL A 58 -6.605 5.871 -2.066 1.00 0.00 C ATOM 839 O VAL A 58 -5.965 6.713 -2.698 1.00 0.00 O ATOM 840 CB VAL A 58 -6.397 5.601 0.429 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.910 5.920 0.254 1.00 0.00 C ATOM 842 CG2 VAL A 58 -6.895 6.087 1.790 1.00 0.00 C ATOM 0 H VAL A 58 -8.848 5.164 0.133 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.248 7.310 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.515 4.518 0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.343 5.469 1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.561 5.518 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.766 7.000 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.291 5.639 2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.812 7.173 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.937 5.796 1.921 1.00 0.00 H new ATOM 852 N PHE A 59 -6.792 4.623 -2.501 1.00 0.00 N ATOM 853 CA PHE A 59 -6.282 4.163 -3.801 1.00 0.00 C ATOM 854 C PHE A 59 -6.693 5.120 -4.928 1.00 0.00 C ATOM 855 O PHE A 59 -5.859 5.573 -5.711 1.00 0.00 O ATOM 856 CB PHE A 59 -6.804 2.747 -4.098 1.00 0.00 C ATOM 857 CG PHE A 59 -6.420 2.214 -5.462 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.193 1.600 -5.664 1.00 0.00 C ATOM 859 CD2 PHE A 59 -7.294 2.324 -6.538 1.00 0.00 C ATOM 860 CE1 PHE A 59 -4.844 1.111 -6.912 1.00 0.00 C ATOM 861 CE2 PHE A 59 -6.948 1.838 -7.785 1.00 0.00 C ATOM 862 CZ PHE A 59 -5.723 1.230 -7.972 1.00 0.00 C ATOM 0 H PHE A 59 -7.294 3.909 -1.973 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.193 4.145 -3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.426 2.066 -3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.891 2.748 -4.014 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.502 1.502 -4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.256 2.795 -6.398 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.885 0.637 -7.057 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.636 1.934 -8.612 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.452 0.848 -8.945 1.00 0.00 H new ATOM 872 N SER A 60 -7.982 5.433 -4.998 1.00 0.00 N ATOM 873 CA SER A 60 -8.498 6.333 -6.037 1.00 0.00 C ATOM 874 C SER A 60 -8.054 7.786 -5.798 1.00 0.00 C ATOM 875 O SER A 60 -7.889 8.559 -6.744 1.00 0.00 O ATOM 876 CB SER A 60 -10.030 6.262 -6.105 1.00 0.00 C ATOM 877 OG SER A 60 -10.532 7.039 -7.182 1.00 0.00 O ATOM 0 H SER A 60 -8.690 5.082 -4.354 1.00 0.00 H new ATOM 0 HA SER A 60 -8.082 6.001 -6.988 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.344 5.225 -6.224 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.455 6.618 -5.167 1.00 0.00 H new ATOM 0 HG SER A 60 -11.510 6.975 -7.204 1.00 0.00 H new ATOM 883 N LYS A 61 -7.851 8.144 -4.530 1.00 0.00 N ATOM 884 CA LYS A 61 -7.416 9.497 -4.158 1.00 0.00 C ATOM 885 C LYS A 61 -6.006 9.806 -4.697 1.00 0.00 C ATOM 886 O LYS A 61 -5.715 10.940 -5.096 1.00 0.00 O ATOM 887 CB LYS A 61 -7.436 9.645 -2.628 1.00 0.00 C ATOM 888 CG LYS A 61 -7.189 11.065 -2.128 1.00 0.00 C ATOM 889 CD LYS A 61 -8.325 12.008 -2.517 1.00 0.00 C ATOM 890 CE LYS A 61 -8.090 13.420 -1.997 1.00 0.00 C ATOM 891 NZ LYS A 61 -6.898 14.057 -2.621 1.00 0.00 N ATOM 0 H LYS A 61 -7.981 7.515 -3.738 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.108 10.210 -4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.402 9.305 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.680 8.986 -2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.080 11.055 -1.043 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.251 11.437 -2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.422 12.032 -3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.266 11.627 -2.121 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.971 14.030 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.960 13.390 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.863 15.062 -2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.036 13.581 -2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.962 13.974 -3.656 1.00 0.00 H new ATOM 905 N VAL A 62 -5.131 8.798 -4.693 1.00 0.00 N ATOM 906 CA VAL A 62 -3.764 8.955 -5.215 1.00 0.00 C ATOM 907 C VAL A 62 -3.647 8.505 -6.689 1.00 0.00 C ATOM 908 O VAL A 62 -2.748 8.945 -7.410 1.00 0.00 O ATOM 909 CB VAL A 62 -2.728 8.199 -4.329 1.00 0.00 C ATOM 910 CG1 VAL A 62 -3.119 6.740 -4.115 1.00 0.00 C ATOM 911 CG2 VAL A 62 -1.327 8.287 -4.926 1.00 0.00 C ATOM 0 H VAL A 62 -5.340 7.866 -4.336 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.536 10.020 -5.178 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.725 8.690 -3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.370 6.250 -3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.089 6.692 -3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.177 6.234 -5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.625 7.751 -4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.327 7.841 -5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.027 9.332 -4.998 1.00 0.00 H new ATOM 921 N LYS A 63 -4.571 7.657 -7.137 1.00 0.00 N ATOM 922 CA LYS A 63 -4.578 7.164 -8.527 1.00 0.00 C ATOM 923 C LYS A 63 -4.622 8.309 -9.561 1.00 0.00 C ATOM 924 O LYS A 63 -5.407 9.253 -9.430 1.00 0.00 O ATOM 925 CB LYS A 63 -5.780 6.235 -8.748 1.00 0.00 C ATOM 926 CG LYS A 63 -5.926 5.738 -10.188 1.00 0.00 C ATOM 927 CD LYS A 63 -7.197 4.915 -10.387 1.00 0.00 C ATOM 928 CE LYS A 63 -8.455 5.709 -10.039 1.00 0.00 C ATOM 929 NZ LYS A 63 -9.695 4.933 -10.305 1.00 0.00 N ATOM 0 H LYS A 63 -5.330 7.292 -6.561 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.645 6.620 -8.676 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.688 5.375 -8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.691 6.762 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.938 6.591 -10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.058 5.133 -10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.254 4.582 -11.423 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.150 4.020 -9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.424 5.994 -8.987 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.473 6.632 -10.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.525 5.508 -10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.738 4.682 -11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.691 4.065 -9.732 1.00 0.00 H new ATOM 943 N GLY A 64 -3.786 8.206 -10.594 1.00 0.00 N ATOM 944 CA GLY A 64 -3.788 9.189 -11.673 1.00 0.00 C ATOM 945 C GLY A 64 -5.056 9.162 -12.532 1.00 0.00 C ATOM 946 O GLY A 64 -5.086 8.524 -13.587 1.00 0.00 O ATOM 0 H GLY A 64 -3.103 7.456 -10.705 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.672 10.185 -11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.923 9.014 -12.313 1.00 0.00 H new ATOM 950 N LYS A 65 -6.106 9.845 -12.065 1.00 0.00 N ATOM 951 CA LYS A 65 -7.368 10.003 -12.813 1.00 0.00 C ATOM 952 C LYS A 65 -7.970 8.662 -13.282 1.00 0.00 C ATOM 953 O LYS A 65 -8.742 8.025 -12.560 1.00 0.00 O ATOM 954 CB LYS A 65 -7.169 10.941 -14.020 1.00 0.00 C ATOM 955 CG LYS A 65 -6.778 12.368 -13.645 1.00 0.00 C ATOM 956 CD LYS A 65 -6.558 13.234 -14.884 1.00 0.00 C ATOM 957 CE LYS A 65 -6.198 14.670 -14.516 1.00 0.00 C ATOM 958 NZ LYS A 65 -4.954 14.749 -13.702 1.00 0.00 N ATOM 0 H LYS A 65 -6.110 10.307 -11.156 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.081 10.444 -12.117 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.398 10.523 -14.667 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.091 10.969 -14.600 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.559 12.809 -13.026 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.868 12.351 -13.046 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.761 12.804 -15.491 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.461 13.231 -15.494 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.072 15.255 -15.427 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.022 15.118 -13.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.656 15.742 -13.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.134 14.361 -12.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.202 14.199 -14.164 1.00 0.00 H new ATOM 972 N SER A 66 -7.596 8.228 -14.488 1.00 0.00 N ATOM 973 CA SER A 66 -8.182 7.031 -15.110 1.00 0.00 C ATOM 974 C SER A 66 -7.090 6.057 -15.579 1.00 0.00 C ATOM 975 O SER A 66 -7.286 5.292 -16.525 1.00 0.00 O ATOM 976 CB SER A 66 -9.073 7.438 -16.298 1.00 0.00 C ATOM 977 OG SER A 66 -9.701 6.307 -16.892 1.00 0.00 O ATOM 0 H SER A 66 -6.887 8.688 -15.058 1.00 0.00 H new ATOM 0 HA SER A 66 -8.789 6.522 -14.361 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.834 8.141 -15.959 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.471 7.955 -17.045 1.00 0.00 H new ATOM 0 HG SER A 66 -9.065 5.563 -16.931 1.00 0.00 H new ATOM 983 N ALA A 67 -5.949 6.062 -14.888 1.00 0.00 N ATOM 984 CA ALA A 67 -4.827 5.169 -15.220 1.00 0.00 C ATOM 985 C ALA A 67 -5.087 3.707 -14.808 1.00 0.00 C ATOM 986 O ALA A 67 -4.201 2.859 -14.939 1.00 0.00 O ATOM 987 CB ALA A 67 -3.552 5.681 -14.561 1.00 0.00 C ATOM 0 H ALA A 67 -5.773 6.675 -14.092 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.717 5.176 -16.304 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.723 5.018 -14.808 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.334 6.686 -14.923 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.686 5.706 -13.480 1.00 0.00 H new ATOM 993 N ARG A 68 -6.306 3.425 -14.330 1.00 0.00 N ATOM 994 CA ARG A 68 -6.692 2.097 -13.812 1.00 0.00 C ATOM 995 C ARG A 68 -5.971 1.756 -12.504 1.00 0.00 C ATOM 996 O ARG A 68 -6.590 1.602 -11.450 1.00 0.00 O ATOM 997 CB ARG A 68 -6.416 0.977 -14.832 1.00 0.00 C ATOM 998 CG ARG A 68 -7.204 1.079 -16.133 1.00 0.00 C ATOM 999 CD ARG A 68 -6.984 -0.155 -17.004 1.00 0.00 C ATOM 1000 NE ARG A 68 -7.411 -1.380 -16.320 1.00 0.00 N ATOM 1001 CZ ARG A 68 -6.639 -2.415 -16.098 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -5.397 -2.411 -16.468 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -7.111 -3.450 -15.486 1.00 0.00 N ATOM 0 H ARG A 68 -7.059 4.112 -14.290 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.764 2.157 -13.624 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.352 0.977 -15.069 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.639 0.018 -14.364 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.266 1.188 -15.912 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.899 1.972 -16.678 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.537 -0.046 -17.937 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.929 -0.233 -17.267 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.376 -1.430 -15.994 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.008 -1.594 -16.939 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.809 -3.225 -16.288 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.083 -3.460 -15.177 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.512 -4.257 -15.312 1.00 0.00 H new ATOM 1017 N VAL A 69 -4.661 1.632 -12.600 1.00 0.00 N ATOM 1018 CA VAL A 69 -3.821 1.164 -11.501 1.00 0.00 C ATOM 1019 C VAL A 69 -2.805 2.230 -11.053 1.00 0.00 C ATOM 1020 O VAL A 69 -2.627 3.257 -11.712 1.00 0.00 O ATOM 1021 CB VAL A 69 -3.065 -0.111 -11.945 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -4.034 -1.269 -12.171 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -2.269 0.165 -13.217 1.00 0.00 C ATOM 0 H VAL A 69 -4.140 1.854 -13.448 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.471 0.950 -10.653 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.376 -0.393 -11.149 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.478 -2.153 -12.482 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.567 -1.483 -11.245 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.750 -0.998 -12.947 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.741 -0.740 -13.520 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.949 0.472 -14.012 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.548 0.960 -13.029 1.00 0.00 H new ATOM 1033 N ILE A 70 -2.137 1.974 -9.928 1.00 0.00 N ATOM 1034 CA ILE A 70 -1.108 2.887 -9.409 1.00 0.00 C ATOM 1035 C ILE A 70 0.298 2.279 -9.545 1.00 0.00 C ATOM 1036 O ILE A 70 0.456 1.054 -9.559 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.355 3.248 -7.916 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.308 1.985 -7.034 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -2.688 3.976 -7.750 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -1.455 2.263 -5.550 1.00 0.00 C ATOM 0 H ILE A 70 -2.287 1.143 -9.356 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.172 3.795 -10.009 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.559 3.918 -7.591 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.102 1.306 -7.346 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.363 1.470 -7.205 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.841 4.219 -6.699 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.677 4.894 -8.337 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.498 3.334 -8.096 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.412 1.324 -4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.647 2.916 -5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.413 2.749 -5.364 1.00 0.00 H new ATOM 1052 N ASN A 71 1.315 3.135 -9.654 1.00 0.00 N ATOM 1053 CA ASN A 71 2.710 2.672 -9.689 1.00 0.00 C ATOM 1054 C ASN A 71 3.329 2.651 -8.282 1.00 0.00 C ATOM 1055 O ASN A 71 2.692 3.042 -7.301 1.00 0.00 O ATOM 1056 CB ASN A 71 3.559 3.538 -10.630 1.00 0.00 C ATOM 1057 CG ASN A 71 3.470 5.019 -10.314 1.00 0.00 C ATOM 1058 OD1 ASN A 71 4.162 5.528 -9.435 1.00 0.00 O ATOM 1059 ND2 ASN A 71 2.635 5.730 -11.041 1.00 0.00 N ATOM 0 H ASN A 71 1.204 4.147 -9.719 1.00 0.00 H new ATOM 0 HA ASN A 71 2.702 1.652 -10.073 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.600 3.221 -10.567 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.237 3.371 -11.658 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.548 6.734 -10.883 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.075 5.277 -11.763 1.00 0.00 H new ATOM 1066 N TYR A 72 4.587 2.214 -8.198 1.00 0.00 N ATOM 1067 CA TYR A 72 5.273 2.032 -6.913 1.00 0.00 C ATOM 1068 C TYR A 72 5.339 3.331 -6.090 1.00 0.00 C ATOM 1069 O TYR A 72 5.139 3.313 -4.876 1.00 0.00 O ATOM 1070 CB TYR A 72 6.689 1.479 -7.137 1.00 0.00 C ATOM 1071 CG TYR A 72 7.423 1.163 -5.847 1.00 0.00 C ATOM 1072 CD1 TYR A 72 7.056 0.070 -5.069 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.475 1.960 -5.403 1.00 0.00 C ATOM 1074 CE1 TYR A 72 7.712 -0.218 -3.892 1.00 0.00 C ATOM 1075 CE2 TYR A 72 9.135 1.675 -4.224 1.00 0.00 C ATOM 1076 CZ TYR A 72 8.749 0.585 -3.473 1.00 0.00 C ATOM 1077 OH TYR A 72 9.406 0.294 -2.301 1.00 0.00 O ATOM 0 H TYR A 72 5.157 1.977 -9.010 1.00 0.00 H new ATOM 0 HA TYR A 72 4.686 1.315 -6.339 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.626 0.574 -7.742 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.268 2.205 -7.708 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.243 -0.563 -5.393 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.779 2.814 -5.990 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.414 -1.071 -3.300 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.949 2.302 -3.892 1.00 0.00 H new ATOM 0 HH TYR A 72 10.112 0.956 -2.149 1.00 0.00 H new ATOM 1087 N GLU A 73 5.623 4.456 -6.741 1.00 0.00 N ATOM 1088 CA GLU A 73 5.733 5.735 -6.025 1.00 0.00 C ATOM 1089 C GLU A 73 4.360 6.222 -5.533 1.00 0.00 C ATOM 1090 O GLU A 73 4.256 6.832 -4.468 1.00 0.00 O ATOM 1091 CB GLU A 73 6.398 6.798 -6.907 1.00 0.00 C ATOM 1092 CG GLU A 73 7.832 6.456 -7.295 1.00 0.00 C ATOM 1093 CD GLU A 73 8.540 7.603 -7.996 1.00 0.00 C ATOM 1094 OE1 GLU A 73 8.342 7.777 -9.216 1.00 0.00 O ATOM 1095 OE2 GLU A 73 9.284 8.348 -7.322 1.00 0.00 O ATOM 0 H GLU A 73 5.780 4.515 -7.747 1.00 0.00 H new ATOM 0 HA GLU A 73 6.362 5.570 -5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.806 6.929 -7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.390 7.752 -6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.391 6.183 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.829 5.583 -7.948 1.00 0.00 H new ATOM 1102 N GLU A 74 3.306 5.944 -6.303 1.00 0.00 N ATOM 1103 CA GLU A 74 1.937 6.262 -5.874 1.00 0.00 C ATOM 1104 C GLU A 74 1.531 5.359 -4.700 1.00 0.00 C ATOM 1105 O GLU A 74 0.810 5.773 -3.790 1.00 0.00 O ATOM 1106 CB GLU A 74 0.955 6.114 -7.047 1.00 0.00 C ATOM 1107 CG GLU A 74 1.295 7.013 -8.231 1.00 0.00 C ATOM 1108 CD GLU A 74 0.279 6.940 -9.361 1.00 0.00 C ATOM 1109 OE1 GLU A 74 0.073 5.838 -9.911 1.00 0.00 O ATOM 1110 OE2 GLU A 74 -0.296 7.990 -9.716 1.00 0.00 O ATOM 0 H GLU A 74 3.370 5.503 -7.220 1.00 0.00 H new ATOM 0 HA GLU A 74 1.904 7.299 -5.539 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.948 5.075 -7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.052 6.345 -6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.368 8.044 -7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.276 6.736 -8.617 1.00 0.00 H new ATOM 1117 N PHE A 75 2.026 4.125 -4.732 1.00 0.00 N ATOM 1118 CA PHE A 75 1.904 3.196 -3.604 1.00 0.00 C ATOM 1119 C PHE A 75 2.541 3.789 -2.336 1.00 0.00 C ATOM 1120 O PHE A 75 1.974 3.703 -1.245 1.00 0.00 O ATOM 1121 CB PHE A 75 2.571 1.862 -3.974 1.00 0.00 C ATOM 1122 CG PHE A 75 2.712 0.883 -2.832 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.601 0.253 -2.293 1.00 0.00 C ATOM 1124 CD2 PHE A 75 3.965 0.584 -2.309 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.735 -0.652 -1.256 1.00 0.00 C ATOM 1126 CE2 PHE A 75 4.103 -0.322 -1.275 1.00 0.00 C ATOM 1127 CZ PHE A 75 2.987 -0.938 -0.746 1.00 0.00 C ATOM 0 H PHE A 75 2.522 3.738 -5.535 1.00 0.00 H new ATOM 0 HA PHE A 75 0.848 3.025 -3.394 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.992 1.391 -4.768 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.561 2.068 -4.381 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.620 0.471 -2.687 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.842 1.066 -2.716 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.861 -1.135 -0.845 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.083 -0.548 -0.881 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.092 -1.643 0.066 1.00 0.00 H new ATOM 1137 N LYS A 76 3.719 4.402 -2.490 1.00 0.00 N ATOM 1138 CA LYS A 76 4.390 5.084 -1.373 1.00 0.00 C ATOM 1139 C LYS A 76 3.512 6.217 -0.810 1.00 0.00 C ATOM 1140 O LYS A 76 3.467 6.436 0.401 1.00 0.00 O ATOM 1141 CB LYS A 76 5.749 5.654 -1.810 1.00 0.00 C ATOM 1142 CG LYS A 76 6.677 4.625 -2.454 1.00 0.00 C ATOM 1143 CD LYS A 76 8.053 5.215 -2.775 1.00 0.00 C ATOM 1144 CE LYS A 76 8.876 5.454 -1.512 1.00 0.00 C ATOM 1145 NZ LYS A 76 10.203 6.064 -1.807 1.00 0.00 N ATOM 0 H LYS A 76 4.228 4.441 -3.373 1.00 0.00 H new ATOM 0 HA LYS A 76 4.554 4.343 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.580 6.468 -2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.247 6.084 -0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.795 3.774 -1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.221 4.249 -3.370 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.593 4.539 -3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.929 6.156 -3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.321 6.106 -0.838 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.022 4.507 -0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.725 6.207 -0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.745 5.431 -2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.067 6.980 -2.280 1.00 0.00 H new ATOM 1159 N LYS A 77 2.809 6.926 -1.700 1.00 0.00 N ATOM 1160 CA LYS A 77 1.888 8.000 -1.289 1.00 0.00 C ATOM 1161 C LYS A 77 0.715 7.434 -0.476 1.00 0.00 C ATOM 1162 O LYS A 77 0.249 8.050 0.486 1.00 0.00 O ATOM 1163 CB LYS A 77 1.344 8.743 -2.516 1.00 0.00 C ATOM 1164 CG LYS A 77 2.423 9.340 -3.415 1.00 0.00 C ATOM 1165 CD LYS A 77 1.815 10.075 -4.607 1.00 0.00 C ATOM 1166 CE LYS A 77 2.879 10.678 -5.517 1.00 0.00 C ATOM 1167 NZ LYS A 77 2.276 11.395 -6.674 1.00 0.00 N ATOM 0 H LYS A 77 2.858 6.779 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 77 2.448 8.696 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.737 8.055 -3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.684 9.542 -2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.039 10.029 -2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.080 8.547 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.198 9.384 -5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.157 10.866 -4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.498 11.368 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.536 9.888 -5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.031 11.791 -7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.706 10.731 -7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.669 12.165 -6.327 1.00 0.00 H new ATOM 1181 N ALA A 78 0.234 6.262 -0.885 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.832 5.565 -0.162 1.00 0.00 C ATOM 1183 C ALA A 78 -0.361 5.135 1.237 1.00 0.00 C ATOM 1184 O ALA A 78 -1.107 5.228 2.213 1.00 0.00 O ATOM 1185 CB ALA A 78 -1.312 4.362 -0.967 1.00 0.00 C ATOM 0 H ALA A 78 0.566 5.772 -1.716 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.667 6.253 -0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.105 3.851 -0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.695 4.698 -1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.480 3.676 -1.126 1.00 0.00 H new ATOM 1191 N LEU A 79 0.889 4.673 1.323 1.00 0.00 N ATOM 1192 CA LEU A 79 1.500 4.319 2.611 1.00 0.00 C ATOM 1193 C LEU A 79 1.574 5.543 3.535 1.00 0.00 C ATOM 1194 O LEU A 79 1.166 5.481 4.692 1.00 0.00 O ATOM 1195 CB LEU A 79 2.907 3.736 2.405 1.00 0.00 C ATOM 1196 CG LEU A 79 2.974 2.437 1.583 1.00 0.00 C ATOM 1197 CD1 LEU A 79 4.413 1.938 1.480 1.00 0.00 C ATOM 1198 CD2 LEU A 79 2.068 1.361 2.184 1.00 0.00 C ATOM 0 H LEU A 79 1.499 4.535 0.518 1.00 0.00 H new ATOM 0 HA LEU A 79 0.871 3.563 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.524 4.488 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.350 3.549 3.383 1.00 0.00 H new ATOM 0 HG LEU A 79 2.615 2.655 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.438 1.019 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.027 2.695 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.803 1.743 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.134 0.453 1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.386 1.146 3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.038 1.716 2.193 1.00 0.00 H new ATOM 1210 N GLU A 80 2.097 6.650 3.009 1.00 0.00 N ATOM 1211 CA GLU A 80 2.137 7.927 3.738 1.00 0.00 C ATOM 1212 C GLU A 80 0.751 8.307 4.293 1.00 0.00 C ATOM 1213 O GLU A 80 0.618 8.733 5.443 1.00 0.00 O ATOM 1214 CB GLU A 80 2.654 9.039 2.807 1.00 0.00 C ATOM 1215 CG GLU A 80 4.180 9.102 2.688 1.00 0.00 C ATOM 1216 CD GLU A 80 4.834 9.908 3.809 1.00 0.00 C ATOM 1217 OE1 GLU A 80 4.243 10.013 4.908 1.00 0.00 O ATOM 1218 OE2 GLU A 80 5.926 10.475 3.586 1.00 0.00 O ATOM 0 H GLU A 80 2.503 6.692 2.074 1.00 0.00 H new ATOM 0 HA GLU A 80 2.813 7.812 4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.229 8.892 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.290 10.000 3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.581 8.089 2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.446 9.544 1.728 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.273 8.147 3.463 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.658 8.423 3.855 1.00 0.00 C ATOM 1227 C GLU A 81 -2.100 7.533 5.036 1.00 0.00 C ATOM 1228 O GLU A 81 -2.369 8.025 6.139 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.577 8.203 2.639 1.00 0.00 C ATOM 1230 CG GLU A 81 -4.063 8.422 2.907 1.00 0.00 C ATOM 1231 CD GLU A 81 -4.384 9.846 3.337 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -4.467 10.731 2.459 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -4.549 10.088 4.547 1.00 0.00 O ATOM 0 H GLU A 81 -0.172 7.823 2.501 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.729 9.458 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.264 8.875 1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.435 7.186 2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.628 8.184 2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.393 7.731 3.682 1.00 0.00 H new ATOM 1240 N LEU A 82 -2.136 6.220 4.810 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.579 5.266 5.837 1.00 0.00 C ATOM 1242 C LEU A 82 -1.721 5.352 7.112 1.00 0.00 C ATOM 1243 O LEU A 82 -2.236 5.248 8.227 1.00 0.00 O ATOM 1244 CB LEU A 82 -2.556 3.835 5.276 1.00 0.00 C ATOM 1245 CG LEU A 82 -3.403 3.613 4.011 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -3.349 2.151 3.574 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -4.846 4.063 4.231 1.00 0.00 C ATOM 0 H LEU A 82 -1.865 5.789 3.926 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.600 5.530 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.523 3.566 5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.904 3.152 6.051 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.981 4.223 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.955 2.017 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.317 1.873 3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.737 1.518 4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.422 3.895 3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.285 3.492 5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.862 5.124 4.480 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.417 5.554 6.943 1.00 0.00 N ATOM 1260 CA ALA A 83 0.504 5.685 8.079 1.00 0.00 C ATOM 1261 C ALA A 83 0.151 6.895 8.954 1.00 0.00 C ATOM 1262 O ALA A 83 0.071 6.782 10.176 1.00 0.00 O ATOM 1263 CB ALA A 83 1.943 5.791 7.588 1.00 0.00 C ATOM 0 H ALA A 83 0.031 5.631 6.030 1.00 0.00 H new ATOM 0 HA ALA A 83 0.403 4.789 8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.613 5.888 8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.202 4.895 7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.045 6.666 6.946 1.00 0.00 H new ATOM 1269 N THR A 84 -0.070 8.048 8.323 1.00 0.00 N ATOM 1270 CA THR A 84 -0.442 9.272 9.057 1.00 0.00 C ATOM 1271 C THR A 84 -1.819 9.151 9.724 1.00 0.00 C ATOM 1272 O THR A 84 -2.139 9.907 10.641 1.00 0.00 O ATOM 1273 CB THR A 84 -0.424 10.529 8.148 1.00 0.00 C ATOM 1274 OG1 THR A 84 -1.275 10.347 7.003 1.00 0.00 O ATOM 1275 CG2 THR A 84 0.998 10.845 7.693 1.00 0.00 C ATOM 0 H THR A 84 -0.000 8.167 7.312 1.00 0.00 H new ATOM 0 HA THR A 84 0.315 9.390 9.833 1.00 0.00 H new ATOM 0 HB THR A 84 -0.802 11.368 8.732 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.588 9.419 6.972 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.988 11.730 7.057 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.626 11.032 8.564 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.397 10.000 7.133 1.00 0.00 H new ATOM 1283 N LYS A 85 -2.639 8.210 9.257 1.00 0.00 N ATOM 1284 CA LYS A 85 -3.906 7.899 9.932 1.00 0.00 C ATOM 1285 C LYS A 85 -3.688 6.961 11.135 1.00 0.00 C ATOM 1286 O LYS A 85 -4.336 7.108 12.177 1.00 0.00 O ATOM 1287 CB LYS A 85 -4.910 7.270 8.953 1.00 0.00 C ATOM 1288 CG LYS A 85 -5.393 8.223 7.862 1.00 0.00 C ATOM 1289 CD LYS A 85 -6.531 7.615 7.042 1.00 0.00 C ATOM 1290 CE LYS A 85 -7.071 8.598 6.009 1.00 0.00 C ATOM 1291 NZ LYS A 85 -8.256 8.062 5.287 1.00 0.00 N ATOM 0 H LYS A 85 -2.455 7.653 8.423 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.315 8.840 10.300 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.449 6.401 8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.772 6.910 9.514 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.730 9.155 8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.562 8.472 7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.176 6.716 6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.337 7.309 7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.341 9.531 6.504 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.286 8.834 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.373 8.570 4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.118 7.049 5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.107 8.192 5.871 1.00 0.00 H new ATOM 1305 N ARG A 86 -2.775 5.995 10.988 1.00 0.00 N ATOM 1306 CA ARG A 86 -2.502 5.016 12.053 1.00 0.00 C ATOM 1307 C ARG A 86 -1.596 5.585 13.158 1.00 0.00 C ATOM 1308 O ARG A 86 -1.966 5.611 14.332 1.00 0.00 O ATOM 1309 CB ARG A 86 -1.848 3.745 11.484 1.00 0.00 C ATOM 1310 CG ARG A 86 -2.688 2.999 10.450 1.00 0.00 C ATOM 1311 CD ARG A 86 -2.257 1.540 10.335 1.00 0.00 C ATOM 1312 NE ARG A 86 -2.385 0.846 11.618 1.00 0.00 N ATOM 1313 CZ ARG A 86 -2.309 -0.445 11.779 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -2.086 -1.231 10.775 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -2.454 -0.951 12.959 1.00 0.00 N ATOM 0 H ARG A 86 -2.213 5.868 10.146 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.470 4.772 12.491 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.895 4.016 11.030 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.627 3.067 12.308 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.741 3.049 10.729 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.592 3.487 9.480 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.866 1.037 9.584 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.223 1.490 9.993 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.546 1.416 12.448 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.967 -0.842 9.840 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.030 -2.239 10.919 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.627 -0.341 13.758 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.396 -1.961 13.092 1.00 0.00 H new ATOM 1329 N PHE A 87 -0.403 6.019 12.774 1.00 0.00 N ATOM 1330 CA PHE A 87 0.617 6.467 13.727 1.00 0.00 C ATOM 1331 C PHE A 87 0.630 8.003 13.856 1.00 0.00 C ATOM 1332 O PHE A 87 -0.317 8.677 13.445 1.00 0.00 O ATOM 1333 CB PHE A 87 1.988 5.945 13.272 1.00 0.00 C ATOM 1334 CG PHE A 87 2.003 4.451 13.041 1.00 0.00 C ATOM 1335 CD1 PHE A 87 2.071 3.572 14.114 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.934 3.927 11.754 1.00 0.00 C ATOM 1337 CE1 PHE A 87 2.074 2.206 13.909 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.936 2.561 11.547 1.00 0.00 C ATOM 1339 CZ PHE A 87 2.007 1.699 12.625 1.00 0.00 C ATOM 0 H PHE A 87 -0.111 6.072 11.798 1.00 0.00 H new ATOM 0 HA PHE A 87 0.382 6.066 14.713 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.277 6.453 12.352 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.735 6.199 14.024 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.122 3.961 15.120 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.878 4.595 10.907 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.129 1.534 14.753 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.882 2.167 10.543 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.010 0.631 12.464 1.00 0.00 H new ATOM 1349 N LYS A 88 1.701 8.552 14.433 1.00 0.00 N ATOM 1350 CA LYS A 88 1.811 10.002 14.648 1.00 0.00 C ATOM 1351 C LYS A 88 1.813 10.778 13.322 1.00 0.00 C ATOM 1352 O LYS A 88 2.696 10.585 12.482 1.00 0.00 O ATOM 1353 CB LYS A 88 3.102 10.340 15.411 1.00 0.00 C ATOM 1354 CG LYS A 88 3.265 9.615 16.743 1.00 0.00 C ATOM 1355 CD LYS A 88 4.531 10.068 17.467 1.00 0.00 C ATOM 1356 CE LYS A 88 4.812 9.227 18.705 1.00 0.00 C ATOM 1357 NZ LYS A 88 5.053 7.801 18.359 1.00 0.00 N ATOM 0 H LYS A 88 2.506 8.017 14.761 1.00 0.00 H new ATOM 0 HA LYS A 88 0.940 10.299 15.231 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.956 10.102 14.777 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.130 11.414 15.592 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.395 9.805 17.372 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.306 8.539 16.572 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.380 10.006 16.786 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.429 11.114 17.755 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.682 9.627 19.227 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.968 9.297 19.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.270 7.219 18.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.113 7.700 17.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.945 7.485 18.790 1.00 0.00 H new ATOM 1371 N GLY A 89 0.830 11.659 13.139 1.00 0.00 N ATOM 1372 CA GLY A 89 0.847 12.578 12.001 1.00 0.00 C ATOM 1373 C GLY A 89 1.903 13.669 12.176 1.00 0.00 C ATOM 1374 O GLY A 89 1.590 14.860 12.215 1.00 0.00 O ATOM 0 H GLY A 89 0.022 11.756 13.754 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.046 12.021 11.086 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.135 13.036 11.888 1.00 0.00 H new ATOM 1378 N LYS A 90 3.161 13.247 12.263 1.00 0.00 N ATOM 1379 CA LYS A 90 4.266 14.131 12.650 1.00 0.00 C ATOM 1380 C LYS A 90 5.624 13.516 12.275 1.00 0.00 C ATOM 1381 O LYS A 90 6.461 14.165 11.643 1.00 0.00 O ATOM 1382 CB LYS A 90 4.201 14.375 14.170 1.00 0.00 C ATOM 1383 CG LYS A 90 5.369 15.170 14.754 1.00 0.00 C ATOM 1384 CD LYS A 90 5.421 16.601 14.228 1.00 0.00 C ATOM 1385 CE LYS A 90 6.438 17.447 14.991 1.00 0.00 C ATOM 1386 NZ LYS A 90 6.089 17.563 16.434 1.00 0.00 N ATOM 0 H LYS A 90 3.447 12.287 12.069 1.00 0.00 H new ATOM 0 HA LYS A 90 4.168 15.075 12.115 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.274 14.902 14.398 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.151 13.410 14.675 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.285 15.188 15.841 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.304 14.664 14.515 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.678 16.590 13.169 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.434 17.055 14.312 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.428 17.003 14.891 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.489 18.442 14.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.575 18.386 16.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.061 17.683 16.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.387 16.701 16.934 1.00 0.00 H new ATOM 1400 N SER A 91 5.837 12.261 12.670 1.00 0.00 N ATOM 1401 CA SER A 91 7.103 11.562 12.393 1.00 0.00 C ATOM 1402 C SER A 91 7.018 10.727 11.110 1.00 0.00 C ATOM 1403 O SER A 91 6.184 9.827 10.999 1.00 0.00 O ATOM 1404 CB SER A 91 7.487 10.654 13.567 1.00 0.00 C ATOM 1405 OG SER A 91 8.701 9.970 13.301 1.00 0.00 O ATOM 0 H SER A 91 5.154 11.704 13.182 1.00 0.00 H new ATOM 0 HA SER A 91 7.869 12.325 12.258 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.592 11.250 14.474 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.691 9.932 13.750 1.00 0.00 H new ATOM 0 HG SER A 91 9.403 10.620 13.089 1.00 0.00 H new ATOM 1411 N LYS A 92 7.889 11.024 10.147 1.00 0.00 N ATOM 1412 CA LYS A 92 7.899 10.319 8.858 1.00 0.00 C ATOM 1413 C LYS A 92 8.520 8.917 8.972 1.00 0.00 C ATOM 1414 O LYS A 92 7.858 7.915 8.704 1.00 0.00 O ATOM 1415 CB LYS A 92 8.651 11.153 7.802 1.00 0.00 C ATOM 1416 CG LYS A 92 7.743 11.791 6.749 1.00 0.00 C ATOM 1417 CD LYS A 92 6.651 12.660 7.372 1.00 0.00 C ATOM 1418 CE LYS A 92 5.814 13.363 6.309 1.00 0.00 C ATOM 1419 NZ LYS A 92 5.222 12.406 5.336 1.00 0.00 N ATOM 0 H LYS A 92 8.601 11.750 10.232 1.00 0.00 H new ATOM 0 HA LYS A 92 6.862 10.191 8.546 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.212 11.939 8.307 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.378 10.514 7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.345 12.398 6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.282 11.007 6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.004 12.041 7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.107 13.403 8.027 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.016 13.928 6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.436 14.082 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.437 12.865 4.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.948 12.112 4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.866 11.571 5.843 1.00 0.00 H new ATOM 1433 N GLU A 93 9.788 8.846 9.373 1.00 0.00 N ATOM 1434 CA GLU A 93 10.505 7.565 9.397 1.00 0.00 C ATOM 1435 C GLU A 93 9.860 6.546 10.354 1.00 0.00 C ATOM 1436 O GLU A 93 9.825 5.356 10.053 1.00 0.00 O ATOM 1437 CB GLU A 93 11.997 7.761 9.731 1.00 0.00 C ATOM 1438 CG GLU A 93 12.298 8.256 11.148 1.00 0.00 C ATOM 1439 CD GLU A 93 11.872 9.694 11.402 1.00 0.00 C ATOM 1440 OE1 GLU A 93 11.936 10.522 10.462 1.00 0.00 O ATOM 1441 OE2 GLU A 93 11.499 10.011 12.549 1.00 0.00 O ATOM 0 H GLU A 93 10.338 9.647 9.683 1.00 0.00 H new ATOM 0 HA GLU A 93 10.431 7.152 8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.512 6.813 9.580 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.420 8.471 9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.794 7.606 11.864 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.368 8.166 11.334 1.00 0.00 H new ATOM 1448 N GLU A 94 9.340 7.007 11.497 1.00 0.00 N ATOM 1449 CA GLU A 94 8.648 6.109 12.437 1.00 0.00 C ATOM 1450 C GLU A 94 7.402 5.479 11.797 1.00 0.00 C ATOM 1451 O GLU A 94 7.293 4.255 11.685 1.00 0.00 O ATOM 1452 CB GLU A 94 8.234 6.861 13.709 1.00 0.00 C ATOM 1453 CG GLU A 94 7.401 6.016 14.670 1.00 0.00 C ATOM 1454 CD GLU A 94 6.880 6.805 15.862 1.00 0.00 C ATOM 1455 OE1 GLU A 94 7.633 6.996 16.840 1.00 0.00 O ATOM 1456 OE2 GLU A 94 5.707 7.234 15.833 1.00 0.00 O ATOM 0 H GLU A 94 9.382 7.982 11.794 1.00 0.00 H new ATOM 0 HA GLU A 94 9.350 5.317 12.697 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.130 7.208 14.225 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.664 7.747 13.429 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.557 5.587 14.129 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.006 5.183 15.029 1.00 0.00 H new ATOM 1463 N ALA A 95 6.461 6.327 11.383 1.00 0.00 N ATOM 1464 CA ALA A 95 5.205 5.868 10.786 1.00 0.00 C ATOM 1465 C ALA A 95 5.445 5.004 9.540 1.00 0.00 C ATOM 1466 O ALA A 95 4.804 3.965 9.359 1.00 0.00 O ATOM 1467 CB ALA A 95 4.323 7.064 10.443 1.00 0.00 C ATOM 0 H ALA A 95 6.545 7.341 11.450 1.00 0.00 H new ATOM 0 HA ALA A 95 4.696 5.244 11.520 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.391 6.713 9.999 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.104 7.627 11.350 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.843 7.708 9.734 1.00 0.00 H new ATOM 1473 N PHE A 96 6.386 5.428 8.698 1.00 0.00 N ATOM 1474 CA PHE A 96 6.676 4.726 7.445 1.00 0.00 C ATOM 1475 C PHE A 96 7.364 3.372 7.705 1.00 0.00 C ATOM 1476 O PHE A 96 7.057 2.379 7.045 1.00 0.00 O ATOM 1477 CB PHE A 96 7.544 5.605 6.532 1.00 0.00 C ATOM 1478 CG PHE A 96 7.538 5.171 5.083 1.00 0.00 C ATOM 1479 CD1 PHE A 96 6.522 5.582 4.228 1.00 0.00 C ATOM 1480 CD2 PHE A 96 8.544 4.359 4.572 1.00 0.00 C ATOM 1481 CE1 PHE A 96 6.506 5.191 2.900 1.00 0.00 C ATOM 1482 CE2 PHE A 96 8.532 3.967 3.243 1.00 0.00 C ATOM 1483 CZ PHE A 96 7.512 4.385 2.408 1.00 0.00 C ATOM 0 H PHE A 96 6.962 6.254 8.859 1.00 0.00 H new ATOM 0 HA PHE A 96 5.729 4.525 6.945 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.194 6.635 6.595 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.570 5.594 6.901 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.733 6.216 4.605 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.344 4.030 5.218 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.707 5.516 2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.319 3.335 2.859 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.503 4.081 1.372 1.00 0.00 H new ATOM 1493 N ASP A 97 8.291 3.334 8.667 1.00 0.00 N ATOM 1494 CA ASP A 97 8.969 2.083 9.034 1.00 0.00 C ATOM 1495 C ASP A 97 7.958 1.069 9.579 1.00 0.00 C ATOM 1496 O ASP A 97 7.871 -0.061 9.102 1.00 0.00 O ATOM 1497 CB ASP A 97 10.048 2.341 10.092 1.00 0.00 C ATOM 1498 CG ASP A 97 10.966 1.142 10.294 1.00 0.00 C ATOM 1499 OD1 ASP A 97 11.898 0.954 9.480 1.00 0.00 O ATOM 1500 OD2 ASP A 97 10.758 0.374 11.259 1.00 0.00 O ATOM 0 H ASP A 97 8.589 4.149 9.204 1.00 0.00 H new ATOM 0 HA ASP A 97 9.439 1.680 8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.644 3.205 9.796 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.571 2.593 11.039 1.00 0.00 H new ATOM 1505 N ALA A 98 7.196 1.503 10.580 1.00 0.00 N ATOM 1506 CA ALA A 98 6.195 0.661 11.233 1.00 0.00 C ATOM 1507 C ALA A 98 5.168 0.078 10.238 1.00 0.00 C ATOM 1508 O ALA A 98 4.954 -1.139 10.196 1.00 0.00 O ATOM 1509 CB ALA A 98 5.500 1.471 12.319 1.00 0.00 C ATOM 0 H ALA A 98 7.254 2.447 10.962 1.00 0.00 H new ATOM 0 HA ALA A 98 6.706 -0.194 11.675 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.751 0.851 12.812 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.235 1.804 13.052 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.015 2.339 11.872 1.00 0.00 H new ATOM 1515 N ILE A 99 4.544 0.938 9.426 1.00 0.00 N ATOM 1516 CA ILE A 99 3.546 0.471 8.453 1.00 0.00 C ATOM 1517 C ILE A 99 4.168 -0.514 7.445 1.00 0.00 C ATOM 1518 O ILE A 99 3.554 -1.519 7.086 1.00 0.00 O ATOM 1519 CB ILE A 99 2.864 1.641 7.691 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.697 1.112 6.837 1.00 0.00 C ATOM 1521 CG2 ILE A 99 3.869 2.395 6.822 1.00 0.00 C ATOM 1522 CD1 ILE A 99 0.930 2.191 6.098 1.00 0.00 C ATOM 0 H ILE A 99 4.707 1.945 9.420 1.00 0.00 H new ATOM 0 HA ILE A 99 2.777 -0.044 9.029 1.00 0.00 H new ATOM 0 HB ILE A 99 2.470 2.342 8.427 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.087 0.397 6.112 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.007 0.568 7.482 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.362 3.208 6.301 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.659 2.804 7.451 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.304 1.712 6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.126 1.735 5.521 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.508 2.894 6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 99 1.604 2.721 5.425 1.00 0.00 H new ATOM 1534 N CYS A 100 5.399 -0.230 7.008 1.00 0.00 N ATOM 1535 CA CYS A 100 6.124 -1.129 6.100 1.00 0.00 C ATOM 1536 C CYS A 100 6.551 -2.412 6.821 1.00 0.00 C ATOM 1537 O CYS A 100 6.641 -3.472 6.215 1.00 0.00 O ATOM 1538 CB CYS A 100 7.357 -0.432 5.507 1.00 0.00 C ATOM 1539 SG CYS A 100 6.974 0.955 4.410 1.00 0.00 S ATOM 0 H CYS A 100 5.914 0.612 7.266 1.00 0.00 H new ATOM 0 HA CYS A 100 5.445 -1.393 5.289 1.00 0.00 H new ATOM 0 HB2 CYS A 100 7.984 -0.072 6.323 1.00 0.00 H new ATOM 0 HB3 CYS A 100 7.944 -1.166 4.954 1.00 0.00 H new ATOM 0 HG CYS A 100 6.889 2.049 5.107 1.00 0.00 H new ATOM 1545 N GLN A 101 6.800 -2.308 8.120 1.00 0.00 N ATOM 1546 CA GLN A 101 7.184 -3.465 8.937 1.00 0.00 C ATOM 1547 C GLN A 101 6.040 -4.494 8.998 1.00 0.00 C ATOM 1548 O GLN A 101 6.270 -5.699 9.118 1.00 0.00 O ATOM 1549 CB GLN A 101 7.556 -2.991 10.350 1.00 0.00 C ATOM 1550 CG GLN A 101 8.132 -4.075 11.254 1.00 0.00 C ATOM 1551 CD GLN A 101 8.470 -3.547 12.640 1.00 0.00 C ATOM 1552 OE1 GLN A 101 7.655 -3.589 13.553 1.00 0.00 O ATOM 1553 NE2 GLN A 101 9.665 -3.023 12.802 1.00 0.00 N ATOM 0 H GLN A 101 6.744 -1.431 8.638 1.00 0.00 H new ATOM 0 HA GLN A 101 8.047 -3.950 8.481 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.282 -2.182 10.268 1.00 0.00 H new ATOM 0 HB3 GLN A 101 6.667 -2.575 10.825 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.415 -4.891 11.343 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.030 -4.489 10.796 1.00 0.00 H new ATOM 0 HE21 GLN A 101 10.323 -3.002 12.023 1.00 0.00 H new ATOM 0 HE22 GLN A 101 9.934 -2.637 13.707 1.00 0.00 H new ATOM 1562 N LEU A 102 4.805 -4.003 8.912 1.00 0.00 N ATOM 1563 CA LEU A 102 3.620 -4.872 8.900 1.00 0.00 C ATOM 1564 C LEU A 102 3.391 -5.536 7.523 1.00 0.00 C ATOM 1565 O LEU A 102 2.674 -6.535 7.423 1.00 0.00 O ATOM 1566 CB LEU A 102 2.372 -4.062 9.287 1.00 0.00 C ATOM 1567 CG LEU A 102 2.439 -3.354 10.652 1.00 0.00 C ATOM 1568 CD1 LEU A 102 1.176 -2.529 10.894 1.00 0.00 C ATOM 1569 CD2 LEU A 102 2.647 -4.367 11.777 1.00 0.00 C ATOM 0 H LEU A 102 4.594 -3.007 8.849 1.00 0.00 H new ATOM 0 HA LEU A 102 3.797 -5.665 9.627 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.194 -3.312 8.517 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.511 -4.731 9.286 1.00 0.00 H new ATOM 0 HG LEU A 102 3.293 -2.676 10.643 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.243 -2.037 11.864 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.077 -1.777 10.111 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.305 -3.184 10.879 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.691 -3.845 12.733 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.818 -5.074 11.788 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.581 -4.905 11.614 1.00 0.00 H new ATOM 1581 N VAL A 103 4.002 -4.986 6.471 1.00 0.00 N ATOM 1582 CA VAL A 103 3.726 -5.421 5.086 1.00 0.00 C ATOM 1583 C VAL A 103 4.947 -6.083 4.404 1.00 0.00 C ATOM 1584 O VAL A 103 4.860 -7.202 3.889 1.00 0.00 O ATOM 1585 CB VAL A 103 3.273 -4.214 4.218 1.00 0.00 C ATOM 1586 CG1 VAL A 103 2.876 -4.663 2.812 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.129 -3.453 4.889 1.00 0.00 C ATOM 0 H VAL A 103 4.692 -4.238 6.544 1.00 0.00 H new ATOM 0 HA VAL A 103 2.933 -6.166 5.158 1.00 0.00 H new ATOM 0 HB VAL A 103 4.121 -3.536 4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.564 -3.797 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.729 -5.139 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.052 -5.374 2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.832 -2.614 4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.279 -4.121 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.459 -3.081 5.859 1.00 0.00 H new ATOM 1597 N ALA A 104 6.070 -5.370 4.391 1.00 0.00 N ATOM 1598 CA ALA A 104 7.274 -5.778 3.654 1.00 0.00 C ATOM 1599 C ALA A 104 7.732 -7.212 3.965 1.00 0.00 C ATOM 1600 O ALA A 104 8.177 -7.515 5.074 1.00 0.00 O ATOM 1601 CB ALA A 104 8.404 -4.796 3.941 1.00 0.00 C ATOM 0 H ALA A 104 6.176 -4.488 4.892 1.00 0.00 H new ATOM 0 HA ALA A 104 7.013 -5.765 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.297 -5.099 3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.106 -3.796 3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.618 -4.790 5.010 1.00 0.00 H new ATOM 1607 N GLY A 105 7.614 -8.090 2.969 1.00 0.00 N ATOM 1608 CA GLY A 105 8.136 -9.448 3.087 1.00 0.00 C ATOM 1609 C GLY A 105 7.218 -10.416 3.830 1.00 0.00 C ATOM 1610 O GLY A 105 7.527 -11.602 3.934 1.00 0.00 O ATOM 0 H GLY A 105 7.164 -7.885 2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.324 -9.840 2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.097 -9.411 3.601 1.00 0.00 H new ATOM 1614 N LYS A 106 6.088 -9.927 4.340 1.00 0.00 N ATOM 1615 CA LYS A 106 5.160 -10.778 5.100 1.00 0.00 C ATOM 1616 C LYS A 106 4.433 -11.794 4.201 1.00 0.00 C ATOM 1617 O LYS A 106 4.025 -12.854 4.670 1.00 0.00 O ATOM 1618 CB LYS A 106 4.114 -9.926 5.828 1.00 0.00 C ATOM 1619 CG LYS A 106 3.201 -10.750 6.731 1.00 0.00 C ATOM 1620 CD LYS A 106 2.013 -9.945 7.240 1.00 0.00 C ATOM 1621 CE LYS A 106 1.050 -9.589 6.115 1.00 0.00 C ATOM 1622 NZ LYS A 106 0.500 -10.796 5.443 1.00 0.00 N ATOM 0 H LYS A 106 5.791 -8.956 4.245 1.00 0.00 H new ATOM 0 HA LYS A 106 5.765 -11.326 5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.622 -9.169 6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.508 -9.397 5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 106 2.840 -11.620 6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 106 3.774 -11.124 7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.486 -10.518 8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.370 -9.032 7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.230 -8.993 6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.565 -8.969 5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.478 -10.611 5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.080 -11.025 4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.513 -11.598 6.105 1.00 0.00 H new ATOM 1636 N GLU A 107 4.260 -11.430 2.927 1.00 0.00 N ATOM 1637 CA GLU A 107 3.559 -12.255 1.917 1.00 0.00 C ATOM 1638 C GLU A 107 2.032 -12.277 2.150 1.00 0.00 C ATOM 1639 O GLU A 107 1.557 -12.034 3.268 1.00 0.00 O ATOM 1640 CB GLU A 107 4.123 -13.700 1.860 1.00 0.00 C ATOM 1641 CG GLU A 107 3.296 -14.741 2.619 1.00 0.00 C ATOM 1642 CD GLU A 107 3.908 -16.132 2.582 1.00 0.00 C ATOM 1643 OE1 GLU A 107 4.806 -16.413 3.403 1.00 0.00 O ATOM 1644 OE2 GLU A 107 3.491 -16.954 1.736 1.00 0.00 O ATOM 0 H GLU A 107 4.604 -10.545 2.555 1.00 0.00 H new ATOM 0 HA GLU A 107 3.743 -11.784 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.197 -14.006 0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.136 -13.696 2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.189 -14.425 3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.293 -14.780 2.193 1.00 0.00 H new ATOM 1651 N PRO A 108 1.239 -12.535 1.082 1.00 0.00 N ATOM 1652 CA PRO A 108 -0.218 -12.701 1.193 1.00 0.00 C ATOM 1653 C PRO A 108 -0.587 -14.042 1.845 1.00 0.00 C ATOM 1654 O PRO A 108 -0.357 -15.105 1.260 1.00 0.00 O ATOM 1655 CB PRO A 108 -0.715 -12.656 -0.269 1.00 0.00 C ATOM 1656 CG PRO A 108 0.471 -12.251 -1.090 1.00 0.00 C ATOM 1657 CD PRO A 108 1.687 -12.672 -0.311 1.00 0.00 C ATOM 0 HA PRO A 108 -0.669 -11.933 1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -1.095 -13.628 -0.583 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -1.532 -11.943 -0.383 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.450 -12.732 -2.068 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.474 -11.175 -1.264 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.983 -13.695 -0.543 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.546 -12.036 -0.525 1.00 0.00 H new ATOM 1665 N ALA A 109 -1.161 -13.990 3.044 1.00 0.00 N ATOM 1666 CA ALA A 109 -1.444 -15.214 3.810 1.00 0.00 C ATOM 1667 C ALA A 109 -2.275 -14.964 5.080 1.00 0.00 C ATOM 1668 O ALA A 109 -3.023 -15.848 5.509 1.00 0.00 O ATOM 1669 CB ALA A 109 -0.137 -15.907 4.192 1.00 0.00 C ATOM 0 H ALA A 109 -1.439 -13.125 3.508 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.041 -15.850 3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.357 -16.812 4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.413 -16.170 3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.467 -15.235 4.802 1.00 0.00 H new