USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1032 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 107 TYR OH : rot -117:sc= -3.82! USER MOD Set 1.2: A 111 CYS SG : rot 81:sc= -1.92! USER MOD Set 1.3: A 115 ASN : amide:sc= -0.0884 K(o=-5.8,f=-8.1!) USER MOD Set 2.1: A 103 MET CE :methyl -176:sc= -3.43 (180deg=-2.52) USER MOD Set 2.2: A 123 GLN :FLIP amide:sc= -0.938 F(o=-10!,f=-4.4) USER MOD Set 3.1: A 57 TYR OH : rot 180:sc= 0.196 USER MOD Set 3.2: A 61 ASN : amide:sc= 0.394 K(o=0.59,f=-3.2!) USER MOD Set 4.1: A 9 GLN :FLIP amide:sc= -3.71! C(o=-5.4!,f=-4.9!) USER MOD Set 4.2: A 12 GLN : amide:sc= -1.17 K(o=-4.9,f=-9.3!) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= -0.269 (180deg=-1.09) USER MOD Single : A 15 GLN :FLIP amide:sc= -1.79 F(o=-3.5!,f=-1.8) USER MOD Single : A 17 TYR OH : rot -37:sc= 0.546! USER MOD Single : A 20 ASN : amide:sc= -2.44! C(o=-2.4!,f=-2!) USER MOD Single : A 24 LYS NZ :NH3+ -161:sc=-0.00759 (180deg=-0.378) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 76:sc= 1.18 USER MOD Single : A 36 MET CE :methyl 166:sc= -1.08 (180deg=-2.15) USER MOD Single : A 37 GLN : amide:sc= -2.78! X(o=-2.8!,f=-2.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 48:sc= 1.06 USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 49 MET CE :methyl -113:sc= -0.0592 (180deg=-0.757) USER MOD Single : A 51 LYS NZ :NH3+ -124:sc= -0.803 (180deg=-2.63!) USER MOD Single : A 52 SER OG : rot 74:sc= 0.201 USER MOD Single : A 60 TYR OH : rot 45:sc= -0.536 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.518 F(o=-4.9!,f=-0.52) USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= -0.0229 (180deg=-0.284) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -162:sc= -0.0395 (180deg=-0.458) USER MOD Single : A 86 HIS : no HD1:sc= -1.83 X(o=-1.8,f=-1.4) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 100 THR OG1 : rot 78:sc= 0.807 USER MOD Single : A 101 GLN : amide:sc= -1.85 K(o=-1.9,f=-2.9!) USER MOD Single : A 102 TYR OH : rot 84:sc= 0.69 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 131:sc= 0.292 USER MOD Single : A 113 LYS NZ :NH3+ -135:sc= 1.65 (180deg=-0.956) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 70:sc= 0.514! USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.749 USER MOD Single : A 129 ASN : amide:sc= -7.59! C(o=-7.6!,f=-20!) USER MOD ----------------------------------------------------------------- ATOM 93 N GLN A 9 -15.572 -2.348 -7.371 1.00 0.00 N ATOM 94 CA GLN A 9 -14.261 -2.072 -8.029 1.00 0.00 C ATOM 95 C GLN A 9 -14.389 -0.842 -8.932 1.00 0.00 C ATOM 96 O GLN A 9 -13.510 -0.008 -8.981 1.00 0.00 O ATOM 97 CB GLN A 9 -13.851 -3.289 -8.873 1.00 0.00 C ATOM 98 CG GLN A 9 -12.977 -4.229 -8.039 1.00 0.00 C ATOM 99 CD GLN A 9 -11.522 -3.758 -8.107 1.00 0.00 C ATOM 100 OE1 GLN A 9 -10.973 -3.217 -7.055 1.00 0.00 O flip ATOM 101 NE2 GLN A 9 -10.880 -3.879 -9.132 1.00 0.00 N flip ATOM 0 HA GLN A 9 -13.504 -1.883 -7.268 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -14.739 -3.817 -9.221 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -13.306 -2.962 -9.759 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -13.320 -4.241 -7.004 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -13.059 -5.249 -8.414 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -11.309 -4.302 -9.955 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.913 -3.558 -9.169 1.00 0.00 H new ATOM 110 N PHE A 10 -15.475 -0.727 -9.652 1.00 0.00 N ATOM 111 CA PHE A 10 -15.644 0.443 -10.561 1.00 0.00 C ATOM 112 C PHE A 10 -15.379 1.734 -9.787 1.00 0.00 C ATOM 113 O PHE A 10 -14.654 2.599 -10.236 1.00 0.00 O ATOM 114 CB PHE A 10 -17.072 0.464 -11.107 1.00 0.00 C ATOM 115 CG PHE A 10 -17.185 1.527 -12.175 1.00 0.00 C ATOM 116 CD1 PHE A 10 -16.849 1.225 -13.499 1.00 0.00 C ATOM 117 CD2 PHE A 10 -17.624 2.815 -11.841 1.00 0.00 C ATOM 118 CE1 PHE A 10 -16.952 2.208 -14.491 1.00 0.00 C ATOM 119 CE2 PHE A 10 -17.727 3.798 -12.832 1.00 0.00 C ATOM 120 CZ PHE A 10 -17.390 3.494 -14.158 1.00 0.00 C ATOM 0 H PHE A 10 -16.249 -1.391 -9.649 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.939 0.363 -11.388 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -17.330 -0.511 -11.520 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -17.778 0.665 -10.302 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -16.510 0.232 -13.756 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -17.883 3.049 -10.819 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -16.693 1.973 -15.513 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -18.066 4.791 -12.575 1.00 0.00 H new ATOM 0 HZ PHE A 10 -17.468 4.253 -14.923 1.00 0.00 H new ATOM 130 N LYS A 11 -15.955 1.872 -8.627 1.00 0.00 N ATOM 131 CA LYS A 11 -15.725 3.107 -7.830 1.00 0.00 C ATOM 132 C LYS A 11 -14.237 3.228 -7.495 1.00 0.00 C ATOM 133 O LYS A 11 -13.661 4.294 -7.557 1.00 0.00 O ATOM 134 CB LYS A 11 -16.522 3.028 -6.528 1.00 0.00 C ATOM 135 CG LYS A 11 -18.020 3.024 -6.839 1.00 0.00 C ATOM 136 CD LYS A 11 -18.804 2.687 -5.568 1.00 0.00 C ATOM 137 CE LYS A 11 -18.639 3.808 -4.539 1.00 0.00 C ATOM 138 NZ LYS A 11 -18.850 5.129 -5.197 1.00 0.00 N ATOM 0 H LYS A 11 -16.574 1.185 -8.197 1.00 0.00 H new ATOM 0 HA LYS A 11 -16.045 3.974 -8.408 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.252 2.125 -5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.276 3.875 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.326 3.998 -7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.239 2.294 -7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -19.859 2.553 -5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.449 1.744 -5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.354 3.677 -3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.643 3.766 -4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.041 5.851 -4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.997 5.391 -5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -19.660 5.068 -5.847 1.00 0.00 H new ATOM 152 N GLN A 12 -13.613 2.144 -7.127 1.00 0.00 N ATOM 153 CA GLN A 12 -12.166 2.192 -6.771 1.00 0.00 C ATOM 154 C GLN A 12 -11.304 2.515 -7.997 1.00 0.00 C ATOM 155 O GLN A 12 -10.479 3.406 -7.965 1.00 0.00 O ATOM 156 CB GLN A 12 -11.758 0.829 -6.207 1.00 0.00 C ATOM 157 CG GLN A 12 -12.384 0.633 -4.827 1.00 0.00 C ATOM 158 CD GLN A 12 -12.055 -0.770 -4.316 1.00 0.00 C ATOM 159 OE1 GLN A 12 -11.814 -1.670 -5.095 1.00 0.00 O ATOM 160 NE2 GLN A 12 -12.032 -0.995 -3.032 1.00 0.00 N ATOM 0 H GLN A 12 -14.044 1.222 -7.057 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.010 2.978 -6.032 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.082 0.035 -6.880 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.672 0.764 -6.137 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.004 1.383 -4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -13.464 0.768 -4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.234 -0.239 -2.378 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.812 -1.927 -2.681 1.00 0.00 H new ATOM 169 N VAL A 13 -11.476 1.797 -9.073 1.00 0.00 N ATOM 170 CA VAL A 13 -10.657 2.059 -10.291 1.00 0.00 C ATOM 171 C VAL A 13 -11.093 3.375 -10.952 1.00 0.00 C ATOM 172 O VAL A 13 -10.279 4.145 -11.412 1.00 0.00 O ATOM 173 CB VAL A 13 -10.828 0.884 -11.263 1.00 0.00 C ATOM 174 CG1 VAL A 13 -12.317 0.487 -11.360 1.00 0.00 C ATOM 175 CG2 VAL A 13 -10.310 1.287 -12.644 1.00 0.00 C ATOM 0 H VAL A 13 -12.151 1.037 -9.161 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.606 2.153 -10.016 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.259 0.030 -10.895 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.427 -0.348 -12.052 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -12.680 0.192 -10.375 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.897 1.336 -11.721 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.431 0.453 -13.336 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.875 2.145 -13.008 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.255 1.550 -12.574 1.00 0.00 H new ATOM 185 N ARG A 14 -12.360 3.661 -10.999 1.00 0.00 N ATOM 186 CA ARG A 14 -12.787 4.948 -11.622 1.00 0.00 C ATOM 187 C ARG A 14 -12.122 6.089 -10.859 1.00 0.00 C ATOM 188 O ARG A 14 -11.675 7.058 -11.439 1.00 0.00 O ATOM 189 CB ARG A 14 -14.314 5.076 -11.539 1.00 0.00 C ATOM 190 CG ARG A 14 -14.790 6.377 -12.204 1.00 0.00 C ATOM 191 CD ARG A 14 -14.878 6.193 -13.722 1.00 0.00 C ATOM 192 NE ARG A 14 -15.351 7.469 -14.337 1.00 0.00 N ATOM 193 CZ ARG A 14 -15.282 7.641 -15.628 1.00 0.00 C ATOM 194 NH1 ARG A 14 -14.827 6.685 -16.389 1.00 0.00 N ATOM 195 NH2 ARG A 14 -15.678 8.766 -16.158 1.00 0.00 N ATOM 0 H ARG A 14 -13.112 3.072 -10.640 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.492 4.981 -12.671 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -14.782 4.221 -12.027 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -14.629 5.060 -10.496 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -15.765 6.661 -11.808 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.101 7.188 -11.968 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -13.903 5.919 -14.126 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -15.564 5.381 -13.964 1.00 0.00 H new ATOM 0 HE ARG A 14 -15.729 8.209 -13.745 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.525 5.803 -15.975 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -14.773 6.819 -17.399 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -16.041 9.510 -15.563 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -15.624 8.901 -17.168 1.00 0.00 H new ATOM 209 N GLN A 15 -12.029 5.972 -9.566 1.00 0.00 N ATOM 210 CA GLN A 15 -11.363 7.042 -8.781 1.00 0.00 C ATOM 211 C GLN A 15 -9.919 7.164 -9.251 1.00 0.00 C ATOM 212 O GLN A 15 -9.342 8.228 -9.236 1.00 0.00 O ATOM 213 CB GLN A 15 -11.392 6.696 -7.289 1.00 0.00 C ATOM 214 CG GLN A 15 -12.782 6.988 -6.723 1.00 0.00 C ATOM 215 CD GLN A 15 -12.993 8.501 -6.667 1.00 0.00 C ATOM 216 OE1 GLN A 15 -13.481 9.116 -7.708 1.00 0.00 O flip ATOM 217 NE2 GLN A 15 -12.697 9.132 -5.670 1.00 0.00 N flip ATOM 0 H GLN A 15 -12.384 5.186 -9.022 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.887 7.986 -8.930 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.142 5.645 -7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.641 7.279 -6.755 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.547 6.525 -7.347 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.880 6.558 -5.726 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.315 8.650 -4.856 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.831 10.143 -5.648 1.00 0.00 H new ATOM 226 N LEU A 16 -9.334 6.080 -9.680 1.00 0.00 N ATOM 227 CA LEU A 16 -7.926 6.148 -10.157 1.00 0.00 C ATOM 228 C LEU A 16 -7.819 7.026 -11.410 1.00 0.00 C ATOM 229 O LEU A 16 -6.871 7.771 -11.561 1.00 0.00 O ATOM 230 CB LEU A 16 -7.388 4.744 -10.461 1.00 0.00 C ATOM 231 CG LEU A 16 -6.686 4.159 -9.239 1.00 0.00 C ATOM 232 CD1 LEU A 16 -6.445 2.669 -9.487 1.00 0.00 C ATOM 233 CD2 LEU A 16 -5.336 4.871 -9.009 1.00 0.00 C ATOM 0 H LEU A 16 -9.767 5.157 -9.721 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.325 6.592 -9.363 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.208 4.092 -10.762 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.693 4.789 -11.299 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.308 4.300 -8.355 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.943 2.233 -8.623 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.400 2.167 -9.644 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.820 2.544 -10.371 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.844 4.445 -8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.700 4.737 -9.884 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.509 5.935 -8.846 1.00 0.00 H new ATOM 245 N TYR A 17 -8.761 6.958 -12.313 1.00 0.00 N ATOM 246 CA TYR A 17 -8.649 7.812 -13.530 1.00 0.00 C ATOM 247 C TYR A 17 -9.091 9.235 -13.206 1.00 0.00 C ATOM 248 O TYR A 17 -8.577 10.191 -13.752 1.00 0.00 O ATOM 249 CB TYR A 17 -9.527 7.256 -14.651 1.00 0.00 C ATOM 250 CG TYR A 17 -9.029 5.895 -15.070 1.00 0.00 C ATOM 251 CD1 TYR A 17 -7.905 5.773 -15.899 1.00 0.00 C ATOM 252 CD2 TYR A 17 -9.701 4.752 -14.636 1.00 0.00 C ATOM 253 CE1 TYR A 17 -7.458 4.505 -16.288 1.00 0.00 C ATOM 254 CE2 TYR A 17 -9.249 3.487 -15.028 1.00 0.00 C ATOM 255 CZ TYR A 17 -8.132 3.364 -15.852 1.00 0.00 C ATOM 256 OH TYR A 17 -7.690 2.112 -16.227 1.00 0.00 O ATOM 0 H TYR A 17 -9.587 6.361 -12.263 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.609 7.816 -13.857 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.561 7.186 -14.313 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.516 7.935 -15.504 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.384 6.657 -16.237 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.568 4.843 -13.999 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -6.591 4.410 -16.926 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.768 2.602 -14.690 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.368 2.142 -17.152 1.00 0.00 H new ATOM 266 N GLU A 18 -10.063 9.391 -12.350 1.00 0.00 N ATOM 267 CA GLU A 18 -10.557 10.763 -12.032 1.00 0.00 C ATOM 268 C GLU A 18 -9.467 11.580 -11.342 1.00 0.00 C ATOM 269 O GLU A 18 -9.436 12.791 -11.435 1.00 0.00 O ATOM 270 CB GLU A 18 -11.776 10.667 -11.114 1.00 0.00 C ATOM 271 CG GLU A 18 -12.938 10.024 -11.871 1.00 0.00 C ATOM 272 CD GLU A 18 -14.175 9.991 -10.972 1.00 0.00 C ATOM 273 OE1 GLU A 18 -14.033 10.280 -9.795 1.00 0.00 O ATOM 274 OE2 GLU A 18 -15.241 9.682 -11.475 1.00 0.00 O ATOM 0 H GLU A 18 -10.536 8.632 -11.858 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.832 11.259 -12.963 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.533 10.077 -10.231 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.061 11.660 -10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.150 10.587 -12.780 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.671 9.013 -12.178 1.00 0.00 H new ATOM 281 N ILE A 19 -8.596 10.931 -10.629 1.00 0.00 N ATOM 282 CA ILE A 19 -7.525 11.659 -9.905 1.00 0.00 C ATOM 283 C ILE A 19 -7.007 12.840 -10.737 1.00 0.00 C ATOM 284 O ILE A 19 -6.728 13.896 -10.206 1.00 0.00 O ATOM 285 CB ILE A 19 -6.403 10.674 -9.596 1.00 0.00 C ATOM 286 CG1 ILE A 19 -6.788 9.874 -8.349 1.00 0.00 C ATOM 287 CG2 ILE A 19 -5.096 11.415 -9.340 1.00 0.00 C ATOM 288 CD1 ILE A 19 -5.987 8.581 -8.294 1.00 0.00 C ATOM 0 H ILE A 19 -8.580 9.917 -10.516 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.920 12.071 -8.976 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.261 10.008 -10.447 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.600 10.467 -7.454 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.855 9.651 -8.365 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.307 10.696 -9.121 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.826 11.992 -10.224 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.219 12.088 -8.491 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.267 8.017 -7.404 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.197 7.985 -9.182 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.923 8.814 -8.257 1.00 0.00 H new ATOM 300 N ASN A 20 -6.856 12.682 -12.023 1.00 0.00 N ATOM 301 CA ASN A 20 -6.335 13.821 -12.832 1.00 0.00 C ATOM 302 C ASN A 20 -6.395 13.494 -14.329 1.00 0.00 C ATOM 303 O ASN A 20 -6.568 12.361 -14.732 1.00 0.00 O ATOM 304 CB ASN A 20 -4.876 14.093 -12.418 1.00 0.00 C ATOM 305 CG ASN A 20 -4.793 15.381 -11.598 1.00 0.00 C ATOM 306 OD1 ASN A 20 -4.959 15.365 -10.394 1.00 0.00 O ATOM 307 ND2 ASN A 20 -4.539 16.500 -12.208 1.00 0.00 N ATOM 0 H ASN A 20 -7.066 11.830 -12.542 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.950 14.703 -12.650 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.494 13.256 -11.834 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.248 14.176 -13.305 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.478 17.368 -11.676 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.400 16.510 -13.218 1.00 0.00 H new ATOM 314 N ASP A 21 -6.258 14.504 -15.148 1.00 0.00 N ATOM 315 CA ASP A 21 -6.307 14.300 -16.622 1.00 0.00 C ATOM 316 C ASP A 21 -4.896 14.073 -17.168 1.00 0.00 C ATOM 317 O ASP A 21 -4.369 14.881 -17.906 1.00 0.00 O ATOM 318 CB ASP A 21 -6.919 15.537 -17.282 1.00 0.00 C ATOM 319 CG ASP A 21 -8.395 15.644 -16.894 1.00 0.00 C ATOM 320 OD1 ASP A 21 -8.910 14.692 -16.330 1.00 0.00 O ATOM 321 OD2 ASP A 21 -8.986 16.675 -17.169 1.00 0.00 O ATOM 0 H ASP A 21 -6.113 15.470 -14.853 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.917 13.424 -16.844 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.383 16.433 -16.968 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.821 15.471 -18.366 1.00 0.00 H new ATOM 326 N ASP A 22 -4.288 12.975 -16.818 1.00 0.00 N ATOM 327 CA ASP A 22 -2.915 12.680 -17.321 1.00 0.00 C ATOM 328 C ASP A 22 -2.993 11.490 -18.292 1.00 0.00 C ATOM 329 O ASP A 22 -3.122 10.360 -17.871 1.00 0.00 O ATOM 330 CB ASP A 22 -2.011 12.314 -16.140 1.00 0.00 C ATOM 331 CG ASP A 22 -1.404 13.587 -15.543 1.00 0.00 C ATOM 332 OD1 ASP A 22 -2.034 14.170 -14.677 1.00 0.00 O ATOM 333 OD2 ASP A 22 -0.319 13.955 -15.963 1.00 0.00 O ATOM 0 H ASP A 22 -4.684 12.265 -16.202 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.507 13.552 -17.831 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.585 11.782 -15.381 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.219 11.642 -16.470 1.00 0.00 H new ATOM 338 N PRO A 23 -2.932 11.732 -19.581 1.00 0.00 N ATOM 339 CA PRO A 23 -3.014 10.640 -20.594 1.00 0.00 C ATOM 340 C PRO A 23 -2.095 9.462 -20.256 1.00 0.00 C ATOM 341 O PRO A 23 -2.509 8.320 -20.264 1.00 0.00 O ATOM 342 CB PRO A 23 -2.572 11.313 -21.894 1.00 0.00 C ATOM 343 CG PRO A 23 -2.902 12.758 -21.715 1.00 0.00 C ATOM 344 CD PRO A 23 -2.783 13.053 -20.219 1.00 0.00 C ATOM 0 HA PRO A 23 -4.015 10.212 -20.647 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.506 11.171 -22.069 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.095 10.893 -22.753 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.219 13.385 -22.289 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.909 12.972 -22.073 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.822 13.507 -19.977 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.556 13.746 -19.886 1.00 0.00 H new ATOM 352 N LYS A 24 -0.855 9.725 -19.947 1.00 0.00 N ATOM 353 CA LYS A 24 0.070 8.612 -19.599 1.00 0.00 C ATOM 354 C LYS A 24 -0.467 7.889 -18.362 1.00 0.00 C ATOM 355 O LYS A 24 -0.377 6.683 -18.244 1.00 0.00 O ATOM 356 CB LYS A 24 1.468 9.170 -19.302 1.00 0.00 C ATOM 357 CG LYS A 24 2.183 9.535 -20.611 1.00 0.00 C ATOM 358 CD LYS A 24 1.688 10.892 -21.117 1.00 0.00 C ATOM 359 CE LYS A 24 2.462 11.280 -22.378 1.00 0.00 C ATOM 360 NZ LYS A 24 3.880 11.578 -22.022 1.00 0.00 N ATOM 0 H LYS A 24 -0.445 10.658 -19.921 1.00 0.00 H new ATOM 0 HA LYS A 24 0.137 7.916 -20.435 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.388 10.051 -18.665 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.053 8.432 -18.753 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.260 9.569 -20.449 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.997 8.768 -21.363 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.621 10.844 -21.333 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.824 11.651 -20.346 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.422 10.469 -23.106 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.003 12.151 -22.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.318 12.137 -22.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.909 12.118 -21.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.403 10.687 -21.903 1.00 0.00 H new ATOM 374 N ARG A 25 -1.031 8.621 -17.439 1.00 0.00 N ATOM 375 CA ARG A 25 -1.580 7.982 -16.209 1.00 0.00 C ATOM 376 C ARG A 25 -2.673 6.984 -16.598 1.00 0.00 C ATOM 377 O ARG A 25 -2.750 5.896 -16.065 1.00 0.00 O ATOM 378 CB ARG A 25 -2.180 9.060 -15.305 1.00 0.00 C ATOM 379 CG ARG A 25 -2.569 8.453 -13.955 1.00 0.00 C ATOM 380 CD ARG A 25 -3.567 9.383 -13.251 1.00 0.00 C ATOM 381 NE ARG A 25 -3.407 9.300 -11.764 1.00 0.00 N ATOM 382 CZ ARG A 25 -3.269 8.152 -11.152 1.00 0.00 C ATOM 383 NH1 ARG A 25 -3.428 7.031 -11.794 1.00 0.00 N ATOM 384 NH2 ARG A 25 -3.028 8.132 -9.872 1.00 0.00 N ATOM 0 H ARG A 25 -1.135 9.635 -17.484 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.781 7.461 -15.681 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.460 9.865 -15.157 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.056 9.500 -15.781 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.012 7.468 -14.100 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.683 8.316 -13.336 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.411 10.410 -13.582 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.585 9.110 -13.528 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.406 10.160 -11.215 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.663 7.041 -12.786 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.317 6.143 -11.305 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.948 9.007 -9.354 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.919 7.241 -9.387 1.00 0.00 H new ATOM 398 N LYS A 26 -3.530 7.346 -17.514 1.00 0.00 N ATOM 399 CA LYS A 26 -4.618 6.410 -17.915 1.00 0.00 C ATOM 400 C LYS A 26 -4.009 5.140 -18.516 1.00 0.00 C ATOM 401 O LYS A 26 -4.313 4.037 -18.106 1.00 0.00 O ATOM 402 CB LYS A 26 -5.515 7.092 -18.953 1.00 0.00 C ATOM 403 CG LYS A 26 -6.703 6.188 -19.289 1.00 0.00 C ATOM 404 CD LYS A 26 -7.461 6.766 -20.485 1.00 0.00 C ATOM 405 CE LYS A 26 -8.091 8.104 -20.093 1.00 0.00 C ATOM 406 NZ LYS A 26 -9.150 8.463 -21.077 1.00 0.00 N ATOM 0 H LYS A 26 -3.524 8.243 -17.999 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.211 6.143 -17.040 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.871 8.047 -18.567 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.943 7.306 -19.856 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.354 5.181 -19.518 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.367 6.107 -18.428 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.782 6.904 -21.327 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.234 6.070 -20.810 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.517 8.038 -19.092 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.328 8.882 -20.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.578 9.373 -20.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.730 8.543 -22.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.882 7.725 -21.084 1.00 0.00 H new ATOM 420 N GLU A 27 -3.150 5.292 -19.483 1.00 0.00 N ATOM 421 CA GLU A 27 -2.517 4.099 -20.115 1.00 0.00 C ATOM 422 C GLU A 27 -1.909 3.212 -19.025 1.00 0.00 C ATOM 423 O GLU A 27 -1.902 2.001 -19.125 1.00 0.00 O ATOM 424 CB GLU A 27 -1.419 4.556 -21.077 1.00 0.00 C ATOM 425 CG GLU A 27 -0.868 3.348 -21.836 1.00 0.00 C ATOM 426 CD GLU A 27 0.306 3.789 -22.711 1.00 0.00 C ATOM 427 OE1 GLU A 27 0.955 4.759 -22.353 1.00 0.00 O ATOM 428 OE2 GLU A 27 0.542 3.146 -23.720 1.00 0.00 O ATOM 0 H GLU A 27 -2.857 6.191 -19.865 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.268 3.534 -20.667 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.818 5.288 -21.779 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.618 5.047 -20.524 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.544 2.580 -21.133 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.650 2.905 -22.453 1.00 0.00 H new ATOM 435 N PHE A 28 -1.394 3.813 -17.991 1.00 0.00 N ATOM 436 CA PHE A 28 -0.777 3.026 -16.886 1.00 0.00 C ATOM 437 C PHE A 28 -1.815 2.122 -16.228 1.00 0.00 C ATOM 438 O PHE A 28 -1.702 0.912 -16.234 1.00 0.00 O ATOM 439 CB PHE A 28 -0.268 4.003 -15.837 1.00 0.00 C ATOM 440 CG PHE A 28 0.527 3.266 -14.798 1.00 0.00 C ATOM 441 CD1 PHE A 28 1.887 3.051 -15.013 1.00 0.00 C ATOM 442 CD2 PHE A 28 -0.080 2.826 -13.610 1.00 0.00 C ATOM 443 CE1 PHE A 28 2.652 2.394 -14.054 1.00 0.00 C ATOM 444 CE2 PHE A 28 0.687 2.161 -12.649 1.00 0.00 C ATOM 445 CZ PHE A 28 2.054 1.945 -12.869 1.00 0.00 C ATOM 0 H PHE A 28 -1.373 4.825 -17.862 1.00 0.00 H new ATOM 0 HA PHE A 28 0.029 2.413 -17.289 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.351 4.766 -16.308 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.107 4.518 -15.369 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.349 3.395 -15.927 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.132 3.000 -13.440 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.706 2.230 -14.223 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.226 1.813 -11.736 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.646 1.433 -12.125 1.00 0.00 H new ATOM 455 N LEU A 29 -2.818 2.711 -15.645 1.00 0.00 N ATOM 456 CA LEU A 29 -3.870 1.916 -14.958 1.00 0.00 C ATOM 457 C LEU A 29 -4.490 0.937 -15.947 1.00 0.00 C ATOM 458 O LEU A 29 -4.715 -0.216 -15.639 1.00 0.00 O ATOM 459 CB LEU A 29 -4.960 2.863 -14.454 1.00 0.00 C ATOM 460 CG LEU A 29 -4.336 4.020 -13.661 1.00 0.00 C ATOM 461 CD1 LEU A 29 -5.357 5.158 -13.548 1.00 0.00 C ATOM 462 CD2 LEU A 29 -3.926 3.536 -12.257 1.00 0.00 C ATOM 0 H LEU A 29 -2.956 3.721 -15.615 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.430 1.370 -14.123 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.528 3.256 -15.297 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.662 2.318 -13.823 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.446 4.379 -14.178 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.921 5.984 -12.986 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.630 5.502 -14.546 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.247 4.798 -13.032 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.484 4.363 -11.702 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.806 3.171 -11.727 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.198 2.730 -12.348 1.00 0.00 H new ATOM 474 N ASP A 30 -4.761 1.386 -17.138 1.00 0.00 N ATOM 475 CA ASP A 30 -5.363 0.467 -18.147 1.00 0.00 C ATOM 476 C ASP A 30 -4.427 -0.719 -18.368 1.00 0.00 C ATOM 477 O ASP A 30 -4.831 -1.864 -18.311 1.00 0.00 O ATOM 478 CB ASP A 30 -5.546 1.196 -19.480 1.00 0.00 C ATOM 479 CG ASP A 30 -6.704 2.190 -19.384 1.00 0.00 C ATOM 480 OD1 ASP A 30 -7.511 2.045 -18.486 1.00 0.00 O ATOM 481 OD2 ASP A 30 -6.764 3.076 -20.218 1.00 0.00 O ATOM 0 H ASP A 30 -4.595 2.340 -17.457 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.331 0.126 -17.781 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.628 1.721 -19.745 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.741 0.475 -20.273 1.00 0.00 H new ATOM 486 N ASP A 31 -3.176 -0.453 -18.623 1.00 0.00 N ATOM 487 CA ASP A 31 -2.208 -1.558 -18.851 1.00 0.00 C ATOM 488 C ASP A 31 -2.002 -2.358 -17.564 1.00 0.00 C ATOM 489 O ASP A 31 -1.953 -3.571 -17.581 1.00 0.00 O ATOM 490 CB ASP A 31 -0.869 -0.971 -19.300 1.00 0.00 C ATOM 491 CG ASP A 31 0.040 -2.096 -19.797 1.00 0.00 C ATOM 492 OD1 ASP A 31 -0.425 -3.224 -19.856 1.00 0.00 O ATOM 493 OD2 ASP A 31 1.185 -1.814 -20.109 1.00 0.00 O ATOM 0 H ASP A 31 -2.783 0.486 -18.683 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.602 -2.221 -19.621 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.028 -0.240 -20.093 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.395 -0.445 -18.472 1.00 0.00 H new ATOM 498 N LEU A 32 -1.851 -1.690 -16.451 1.00 0.00 N ATOM 499 CA LEU A 32 -1.614 -2.428 -15.179 1.00 0.00 C ATOM 500 C LEU A 32 -2.758 -3.401 -14.908 1.00 0.00 C ATOM 501 O LEU A 32 -2.532 -4.564 -14.648 1.00 0.00 O ATOM 502 CB LEU A 32 -1.481 -1.440 -14.018 1.00 0.00 C ATOM 503 CG LEU A 32 -1.226 -2.200 -12.707 1.00 0.00 C ATOM 504 CD1 LEU A 32 0.103 -2.953 -12.782 1.00 0.00 C ATOM 505 CD2 LEU A 32 -1.150 -1.201 -11.557 1.00 0.00 C ATOM 0 H LEU A 32 -1.881 -0.674 -16.369 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.688 -2.995 -15.272 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.662 -0.747 -14.211 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.389 -0.844 -13.931 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.038 -2.909 -12.547 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.272 -3.487 -11.847 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.072 -3.665 -13.606 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.914 -2.244 -12.946 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.969 -1.734 -10.623 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.336 -0.499 -11.738 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.091 -0.655 -11.487 1.00 0.00 H new ATOM 517 N PHE A 33 -3.983 -2.963 -14.967 1.00 0.00 N ATOM 518 CA PHE A 33 -5.083 -3.923 -14.703 1.00 0.00 C ATOM 519 C PHE A 33 -5.006 -5.034 -15.748 1.00 0.00 C ATOM 520 O PHE A 33 -5.309 -6.176 -15.475 1.00 0.00 O ATOM 521 CB PHE A 33 -6.456 -3.248 -14.814 1.00 0.00 C ATOM 522 CG PHE A 33 -6.682 -2.247 -13.696 1.00 0.00 C ATOM 523 CD1 PHE A 33 -6.632 -2.652 -12.352 1.00 0.00 C ATOM 524 CD2 PHE A 33 -6.967 -0.909 -14.011 1.00 0.00 C ATOM 525 CE1 PHE A 33 -6.865 -1.717 -11.330 1.00 0.00 C ATOM 526 CE2 PHE A 33 -7.206 0.020 -12.990 1.00 0.00 C ATOM 527 CZ PHE A 33 -7.155 -0.383 -11.650 1.00 0.00 C ATOM 0 H PHE A 33 -4.264 -2.006 -15.181 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.971 -4.312 -13.691 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.536 -2.743 -15.776 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.238 -4.007 -14.786 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.415 -3.681 -12.105 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.002 -0.595 -15.044 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.821 -2.026 -10.296 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.430 1.047 -13.237 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.339 0.333 -10.863 1.00 0.00 H new ATOM 537 N SER A 34 -4.605 -4.706 -16.946 1.00 0.00 N ATOM 538 CA SER A 34 -4.515 -5.747 -18.014 1.00 0.00 C ATOM 539 C SER A 34 -3.411 -6.756 -17.680 1.00 0.00 C ATOM 540 O SER A 34 -3.634 -7.949 -17.644 1.00 0.00 O ATOM 541 CB SER A 34 -4.196 -5.071 -19.348 1.00 0.00 C ATOM 542 OG SER A 34 -5.158 -4.056 -19.601 1.00 0.00 O ATOM 0 H SER A 34 -4.336 -3.765 -17.233 1.00 0.00 H new ATOM 0 HA SER A 34 -5.467 -6.273 -18.080 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.195 -4.641 -19.321 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.205 -5.806 -20.153 1.00 0.00 H new ATOM 0 HG SER A 34 -4.966 -3.276 -19.039 1.00 0.00 H new ATOM 548 N PHE A 35 -2.218 -6.282 -17.451 1.00 0.00 N ATOM 549 CA PHE A 35 -1.080 -7.190 -17.133 1.00 0.00 C ATOM 550 C PHE A 35 -1.365 -7.987 -15.857 1.00 0.00 C ATOM 551 O PHE A 35 -1.029 -9.149 -15.746 1.00 0.00 O ATOM 552 CB PHE A 35 0.166 -6.323 -16.950 1.00 0.00 C ATOM 553 CG PHE A 35 1.392 -7.169 -16.707 1.00 0.00 C ATOM 554 CD1 PHE A 35 1.797 -8.115 -17.653 1.00 0.00 C ATOM 555 CD2 PHE A 35 2.150 -6.967 -15.549 1.00 0.00 C ATOM 556 CE1 PHE A 35 2.962 -8.862 -17.441 1.00 0.00 C ATOM 557 CE2 PHE A 35 3.313 -7.715 -15.332 1.00 0.00 C ATOM 558 CZ PHE A 35 3.720 -8.660 -16.280 1.00 0.00 C ATOM 0 H PHE A 35 -1.980 -5.290 -17.471 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.933 -7.907 -17.941 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.316 -5.707 -17.837 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.019 -5.643 -16.111 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.211 -8.270 -18.547 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.837 -6.233 -14.821 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.276 -9.593 -18.171 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.895 -7.563 -14.435 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.620 -9.235 -16.117 1.00 0.00 H new ATOM 568 N MET A 36 -1.964 -7.362 -14.887 1.00 0.00 N ATOM 569 CA MET A 36 -2.257 -8.062 -13.604 1.00 0.00 C ATOM 570 C MET A 36 -3.155 -9.289 -13.824 1.00 0.00 C ATOM 571 O MET A 36 -2.975 -10.314 -13.198 1.00 0.00 O ATOM 572 CB MET A 36 -2.955 -7.073 -12.672 1.00 0.00 C ATOM 573 CG MET A 36 -1.941 -6.026 -12.208 1.00 0.00 C ATOM 574 SD MET A 36 -0.824 -6.761 -10.992 1.00 0.00 S ATOM 575 CE MET A 36 -1.869 -6.489 -9.544 1.00 0.00 C ATOM 0 H MET A 36 -2.267 -6.389 -14.925 1.00 0.00 H new ATOM 0 HA MET A 36 -1.322 -8.414 -13.168 1.00 0.00 H new ATOM 0 HB2 MET A 36 -3.785 -6.591 -13.188 1.00 0.00 H new ATOM 0 HB3 MET A 36 -3.375 -7.597 -11.813 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.373 -5.653 -13.060 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.459 -5.172 -11.772 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.496 -7.082 -8.709 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.851 -5.433 -9.275 1.00 0.00 H new ATOM 0 HE3 MET A 36 -2.892 -6.787 -9.772 1.00 0.00 H new ATOM 585 N GLN A 37 -4.126 -9.199 -14.692 1.00 0.00 N ATOM 586 CA GLN A 37 -5.028 -10.369 -14.922 1.00 0.00 C ATOM 587 C GLN A 37 -4.243 -11.558 -15.490 1.00 0.00 C ATOM 588 O GLN A 37 -4.483 -12.696 -15.138 1.00 0.00 O ATOM 589 CB GLN A 37 -6.128 -9.977 -15.913 1.00 0.00 C ATOM 590 CG GLN A 37 -7.010 -8.883 -15.306 1.00 0.00 C ATOM 591 CD GLN A 37 -7.844 -9.464 -14.162 1.00 0.00 C ATOM 592 OE1 GLN A 37 -8.239 -10.613 -14.203 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.142 -8.709 -13.140 1.00 0.00 N ATOM 0 H GLN A 37 -4.335 -8.371 -15.250 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.467 -10.660 -13.968 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.683 -9.623 -16.843 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.734 -10.849 -16.161 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.390 -8.066 -14.937 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.665 -8.466 -16.070 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.811 -7.745 -13.105 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.706 -9.083 -12.377 1.00 0.00 H new ATOM 602 N LYS A 38 -3.319 -11.309 -16.377 1.00 0.00 N ATOM 603 CA LYS A 38 -2.537 -12.433 -16.980 1.00 0.00 C ATOM 604 C LYS A 38 -1.703 -13.107 -15.902 1.00 0.00 C ATOM 605 O LYS A 38 -1.586 -14.314 -15.839 1.00 0.00 O ATOM 606 CB LYS A 38 -1.581 -11.877 -18.031 1.00 0.00 C ATOM 607 CG LYS A 38 -2.292 -10.804 -18.836 1.00 0.00 C ATOM 608 CD LYS A 38 -1.425 -10.404 -20.028 1.00 0.00 C ATOM 609 CE LYS A 38 -2.088 -9.247 -20.775 1.00 0.00 C ATOM 610 NZ LYS A 38 -1.530 -9.168 -22.155 1.00 0.00 N ATOM 0 H LYS A 38 -3.070 -10.378 -16.712 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.229 -13.146 -17.429 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.696 -11.461 -17.550 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.241 -12.676 -18.689 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.257 -11.174 -19.182 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.490 -9.935 -18.209 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.433 -10.109 -19.687 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.293 -11.254 -20.697 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.167 -9.395 -20.815 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.914 -8.310 -20.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.979 -8.382 -22.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.504 -9.008 -22.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.718 -10.059 -22.657 1.00 0.00 H new ATOM 624 N ARG A 39 -1.081 -12.314 -15.085 1.00 0.00 N ATOM 625 CA ARG A 39 -0.193 -12.870 -14.029 1.00 0.00 C ATOM 626 C ARG A 39 -0.984 -13.720 -13.044 1.00 0.00 C ATOM 627 O ARG A 39 -0.440 -14.594 -12.399 1.00 0.00 O ATOM 628 CB ARG A 39 0.476 -11.725 -13.270 1.00 0.00 C ATOM 629 CG ARG A 39 1.376 -10.927 -14.220 1.00 0.00 C ATOM 630 CD ARG A 39 2.702 -10.607 -13.530 1.00 0.00 C ATOM 631 NE ARG A 39 3.435 -11.873 -13.249 1.00 0.00 N ATOM 632 CZ ARG A 39 4.723 -11.850 -13.032 1.00 0.00 C ATOM 633 NH1 ARG A 39 5.387 -10.734 -13.157 1.00 0.00 N ATOM 634 NH2 ARG A 39 5.349 -12.952 -12.722 1.00 0.00 N ATOM 0 H ARG A 39 -1.148 -11.296 -15.101 1.00 0.00 H new ATOM 0 HA ARG A 39 0.559 -13.496 -14.510 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.282 -11.072 -12.838 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.065 -12.120 -12.443 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.558 -11.499 -15.130 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.878 -10.004 -14.518 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.306 -9.958 -14.164 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.520 -10.066 -12.601 1.00 0.00 H new ATOM 0 HE ARG A 39 2.930 -12.759 -13.226 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.900 -9.878 -13.424 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.393 -10.717 -12.987 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.833 -13.829 -12.650 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.355 -12.937 -12.552 1.00 0.00 H new ATOM 648 N GLY A 40 -2.249 -13.472 -12.899 1.00 0.00 N ATOM 649 CA GLY A 40 -3.041 -14.267 -11.928 1.00 0.00 C ATOM 650 C GLY A 40 -3.199 -13.440 -10.663 1.00 0.00 C ATOM 651 O GLY A 40 -3.822 -13.860 -9.710 1.00 0.00 O ATOM 0 H GLY A 40 -2.769 -12.757 -13.408 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.017 -14.516 -12.345 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.539 -15.209 -11.707 1.00 0.00 H new ATOM 655 N THR A 41 -2.649 -12.250 -10.657 1.00 0.00 N ATOM 656 CA THR A 41 -2.790 -11.375 -9.459 1.00 0.00 C ATOM 657 C THR A 41 -3.594 -10.143 -9.866 1.00 0.00 C ATOM 658 O THR A 41 -3.035 -9.114 -10.176 1.00 0.00 O ATOM 659 CB THR A 41 -1.409 -10.914 -8.982 1.00 0.00 C ATOM 660 OG1 THR A 41 -0.737 -10.275 -10.056 1.00 0.00 O ATOM 661 CG2 THR A 41 -0.580 -12.106 -8.502 1.00 0.00 C ATOM 0 H THR A 41 -2.112 -11.851 -11.427 1.00 0.00 H new ATOM 0 HA THR A 41 -3.285 -11.924 -8.658 1.00 0.00 H new ATOM 0 HB THR A 41 -1.535 -10.220 -8.151 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.339 -9.628 -10.479 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.397 -11.758 -8.167 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.093 -12.597 -7.675 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.452 -12.814 -9.321 1.00 0.00 H new ATOM 669 N PRO A 42 -4.895 -10.245 -9.859 1.00 0.00 N ATOM 670 CA PRO A 42 -5.787 -9.121 -10.229 1.00 0.00 C ATOM 671 C PRO A 42 -6.046 -8.209 -9.033 1.00 0.00 C ATOM 672 O PRO A 42 -6.160 -8.667 -7.914 1.00 0.00 O ATOM 673 CB PRO A 42 -7.061 -9.837 -10.661 1.00 0.00 C ATOM 674 CG PRO A 42 -7.124 -11.044 -9.785 1.00 0.00 C ATOM 675 CD PRO A 42 -5.673 -11.445 -9.500 1.00 0.00 C ATOM 0 HA PRO A 42 -5.372 -8.472 -11.000 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.938 -9.203 -10.528 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.024 -10.112 -11.715 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.656 -10.825 -8.859 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.662 -11.854 -10.278 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.531 -11.714 -8.453 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.373 -12.308 -10.095 1.00 0.00 H new ATOM 683 N ILE A 43 -6.126 -6.928 -9.242 1.00 0.00 N ATOM 684 CA ILE A 43 -6.362 -6.028 -8.085 1.00 0.00 C ATOM 685 C ILE A 43 -7.841 -6.060 -7.714 1.00 0.00 C ATOM 686 O ILE A 43 -8.647 -5.334 -8.259 1.00 0.00 O ATOM 687 CB ILE A 43 -5.958 -4.599 -8.446 1.00 0.00 C ATOM 688 CG1 ILE A 43 -4.545 -4.609 -9.026 1.00 0.00 C ATOM 689 CG2 ILE A 43 -5.985 -3.733 -7.183 1.00 0.00 C ATOM 690 CD1 ILE A 43 -4.189 -3.221 -9.557 1.00 0.00 C ATOM 0 H ILE A 43 -6.040 -6.470 -10.150 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.763 -6.365 -7.239 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.652 -4.193 -9.181 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.830 -4.909 -8.259 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.478 -5.343 -9.829 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.697 -2.712 -7.435 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.991 -3.733 -6.763 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.286 -4.136 -6.450 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.180 -3.237 -9.969 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.895 -2.938 -10.338 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.238 -2.497 -8.744 1.00 0.00 H new ATOM 702 N ASN A 44 -8.200 -6.890 -6.779 1.00 0.00 N ATOM 703 CA ASN A 44 -9.624 -6.961 -6.357 1.00 0.00 C ATOM 704 C ASN A 44 -10.007 -5.638 -5.699 1.00 0.00 C ATOM 705 O ASN A 44 -11.133 -5.188 -5.782 1.00 0.00 O ATOM 706 CB ASN A 44 -9.804 -8.099 -5.352 1.00 0.00 C ATOM 707 CG ASN A 44 -9.490 -9.434 -6.031 1.00 0.00 C ATOM 708 OD1 ASN A 44 -9.432 -9.515 -7.241 1.00 0.00 O ATOM 709 ND2 ASN A 44 -9.285 -10.493 -5.296 1.00 0.00 N ATOM 0 H ASN A 44 -7.569 -7.523 -6.288 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.259 -7.144 -7.224 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.145 -7.950 -4.496 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.825 -8.104 -4.971 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.076 -11.388 -5.738 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.334 -10.425 -4.279 1.00 0.00 H new ATOM 716 N ARG A 45 -9.071 -5.019 -5.033 1.00 0.00 N ATOM 717 CA ARG A 45 -9.357 -3.731 -4.350 1.00 0.00 C ATOM 718 C ARG A 45 -8.077 -2.896 -4.285 1.00 0.00 C ATOM 719 O ARG A 45 -7.026 -3.390 -3.924 1.00 0.00 O ATOM 720 CB ARG A 45 -9.823 -4.039 -2.939 1.00 0.00 C ATOM 721 CG ARG A 45 -8.651 -4.640 -2.162 1.00 0.00 C ATOM 722 CD ARG A 45 -9.161 -5.629 -1.117 1.00 0.00 C ATOM 723 NE ARG A 45 -9.033 -7.015 -1.646 1.00 0.00 N ATOM 724 CZ ARG A 45 -9.078 -8.030 -0.830 1.00 0.00 C ATOM 725 NH1 ARG A 45 -9.183 -7.828 0.453 1.00 0.00 N ATOM 726 NH2 ARG A 45 -9.001 -9.246 -1.296 1.00 0.00 N ATOM 0 H ARG A 45 -8.113 -5.355 -4.934 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.122 -3.176 -4.893 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.176 -3.131 -2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.661 -4.736 -2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.971 -5.144 -2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.083 -3.847 -1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.591 -5.526 -0.194 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.202 -5.415 -0.875 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.910 -7.170 -2.647 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.230 -6.876 0.817 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.218 -8.621 1.093 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.906 -9.403 -2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.036 -10.040 -0.657 1.00 0.00 H new ATOM 740 N LEU A 46 -8.142 -1.638 -4.623 1.00 0.00 N ATOM 741 CA LEU A 46 -6.903 -0.804 -4.559 1.00 0.00 C ATOM 742 C LEU A 46 -6.538 -0.554 -3.095 1.00 0.00 C ATOM 743 O LEU A 46 -7.405 -0.398 -2.259 1.00 0.00 O ATOM 744 CB LEU A 46 -7.134 0.561 -5.208 1.00 0.00 C ATOM 745 CG LEU A 46 -7.871 0.418 -6.534 1.00 0.00 C ATOM 746 CD1 LEU A 46 -8.372 1.791 -6.955 1.00 0.00 C ATOM 747 CD2 LEU A 46 -6.918 -0.109 -7.605 1.00 0.00 C ATOM 0 H LEU A 46 -8.984 -1.155 -4.936 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.110 -1.337 -5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.710 1.195 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.177 1.056 -5.371 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.702 -0.278 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.903 1.709 -7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.047 2.181 -6.193 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.525 2.468 -7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.452 -0.209 -8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.089 0.587 -7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.532 -1.082 -7.302 1.00 0.00 H new ATOM 759 N PRO A 47 -5.271 -0.463 -2.784 1.00 0.00 N ATOM 760 CA PRO A 47 -4.829 -0.168 -1.399 1.00 0.00 C ATOM 761 C PRO A 47 -5.093 1.303 -1.075 1.00 0.00 C ATOM 762 O PRO A 47 -4.397 2.183 -1.541 1.00 0.00 O ATOM 763 CB PRO A 47 -3.327 -0.462 -1.415 1.00 0.00 C ATOM 764 CG PRO A 47 -2.909 -0.306 -2.840 1.00 0.00 C ATOM 765 CD PRO A 47 -4.131 -0.631 -3.701 1.00 0.00 C ATOM 0 HA PRO A 47 -5.354 -0.755 -0.646 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.785 0.228 -0.768 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.120 -1.469 -1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -2.561 0.709 -3.031 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.082 -0.976 -3.075 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.206 0.040 -4.557 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.083 -1.646 -4.095 1.00 0.00 H new ATOM 773 N ILE A 48 -6.106 1.583 -0.308 1.00 0.00 N ATOM 774 CA ILE A 48 -6.413 3.003 0.006 1.00 0.00 C ATOM 775 C ILE A 48 -5.381 3.562 0.975 1.00 0.00 C ATOM 776 O ILE A 48 -4.910 2.889 1.868 1.00 0.00 O ATOM 777 CB ILE A 48 -7.829 3.103 0.588 1.00 0.00 C ATOM 778 CG1 ILE A 48 -8.825 2.856 -0.556 1.00 0.00 C ATOM 779 CG2 ILE A 48 -8.066 4.491 1.226 1.00 0.00 C ATOM 780 CD1 ILE A 48 -10.260 2.910 -0.037 1.00 0.00 C ATOM 0 H ILE A 48 -6.731 0.895 0.113 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.369 3.596 -0.907 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.963 2.360 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.686 3.605 -1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.633 1.884 -1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.077 4.537 1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.346 4.651 2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.943 5.265 0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.952 2.733 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.400 2.144 0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.454 3.892 0.395 1.00 0.00 H new ATOM 792 N MET A 49 -5.026 4.797 0.780 1.00 0.00 N ATOM 793 CA MET A 49 -4.021 5.448 1.658 1.00 0.00 C ATOM 794 C MET A 49 -4.475 6.865 1.962 1.00 0.00 C ATOM 795 O MET A 49 -4.818 7.630 1.082 1.00 0.00 O ATOM 796 CB MET A 49 -2.675 5.471 0.947 1.00 0.00 C ATOM 797 CG MET A 49 -2.058 4.082 1.040 1.00 0.00 C ATOM 798 SD MET A 49 -1.367 3.833 2.694 1.00 0.00 S ATOM 799 CE MET A 49 0.150 4.793 2.469 1.00 0.00 C ATOM 0 H MET A 49 -5.395 5.392 0.038 1.00 0.00 H new ATOM 0 HA MET A 49 -3.921 4.894 2.591 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.802 5.760 -0.096 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.017 6.210 1.405 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.813 3.323 0.832 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.277 3.969 0.288 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.011 4.125 2.497 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.118 5.303 1.506 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.236 5.530 3.268 1.00 0.00 H new ATOM 809 N ALA A 50 -4.513 7.205 3.209 1.00 0.00 N ATOM 810 CA ALA A 50 -4.987 8.563 3.586 1.00 0.00 C ATOM 811 C ALA A 50 -6.450 8.675 3.156 1.00 0.00 C ATOM 812 O ALA A 50 -6.895 9.690 2.659 1.00 0.00 O ATOM 813 CB ALA A 50 -4.154 9.622 2.864 1.00 0.00 C ATOM 0 H ALA A 50 -4.238 6.606 3.987 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.888 8.720 4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.506 10.615 3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.106 9.515 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.255 9.492 1.787 1.00 0.00 H new ATOM 819 N LYS A 51 -7.185 7.615 3.350 1.00 0.00 N ATOM 820 CA LYS A 51 -8.630 7.589 2.971 1.00 0.00 C ATOM 821 C LYS A 51 -8.791 7.852 1.473 1.00 0.00 C ATOM 822 O LYS A 51 -9.836 8.269 1.015 1.00 0.00 O ATOM 823 CB LYS A 51 -9.377 8.657 3.759 1.00 0.00 C ATOM 824 CG LYS A 51 -9.194 8.387 5.248 1.00 0.00 C ATOM 825 CD LYS A 51 -9.656 9.607 6.035 1.00 0.00 C ATOM 826 CE LYS A 51 -11.169 9.786 5.876 1.00 0.00 C ATOM 827 NZ LYS A 51 -11.445 10.626 4.676 1.00 0.00 N ATOM 0 H LYS A 51 -6.840 6.748 3.763 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.040 6.606 3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.998 9.647 3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.436 8.645 3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.768 7.509 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.148 8.173 5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.404 9.488 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.136 10.497 5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.652 8.815 5.772 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.586 10.256 6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.017 11.449 4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.546 10.951 4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.965 10.065 3.971 1.00 0.00 H new ATOM 841 N SER A 52 -7.767 7.607 0.704 1.00 0.00 N ATOM 842 CA SER A 52 -7.862 7.840 -0.769 1.00 0.00 C ATOM 843 C SER A 52 -7.209 6.670 -1.516 1.00 0.00 C ATOM 844 O SER A 52 -6.350 5.992 -0.988 1.00 0.00 O ATOM 845 CB SER A 52 -7.139 9.139 -1.127 1.00 0.00 C ATOM 846 OG SER A 52 -7.655 10.199 -0.330 1.00 0.00 O ATOM 0 H SER A 52 -6.867 7.255 1.030 1.00 0.00 H new ATOM 0 HA SER A 52 -8.910 7.915 -1.057 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.068 9.031 -0.959 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.275 9.365 -2.185 1.00 0.00 H new ATOM 0 HG SER A 52 -7.329 10.106 0.589 1.00 0.00 H new ATOM 852 N VAL A 53 -7.596 6.426 -2.741 1.00 0.00 N ATOM 853 CA VAL A 53 -6.976 5.297 -3.492 1.00 0.00 C ATOM 854 C VAL A 53 -5.501 5.613 -3.728 1.00 0.00 C ATOM 855 O VAL A 53 -5.127 6.748 -3.948 1.00 0.00 O ATOM 856 CB VAL A 53 -7.682 5.094 -4.843 1.00 0.00 C ATOM 857 CG1 VAL A 53 -9.194 5.018 -4.629 1.00 0.00 C ATOM 858 CG2 VAL A 53 -7.368 6.258 -5.792 1.00 0.00 C ATOM 0 H VAL A 53 -8.306 6.954 -3.248 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.076 4.381 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.323 4.165 -5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.691 4.874 -5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.427 4.181 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.544 5.945 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.875 6.099 -6.743 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.713 7.192 -5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.292 6.311 -5.959 1.00 0.00 H new ATOM 868 N LEU A 54 -4.655 4.623 -3.671 1.00 0.00 N ATOM 869 CA LEU A 54 -3.206 4.876 -3.879 1.00 0.00 C ATOM 870 C LEU A 54 -2.936 5.042 -5.374 1.00 0.00 C ATOM 871 O LEU A 54 -3.275 4.198 -6.179 1.00 0.00 O ATOM 872 CB LEU A 54 -2.413 3.688 -3.329 1.00 0.00 C ATOM 873 CG LEU A 54 -0.909 3.972 -3.394 1.00 0.00 C ATOM 874 CD1 LEU A 54 -0.577 5.210 -2.551 1.00 0.00 C ATOM 875 CD2 LEU A 54 -0.145 2.756 -2.847 1.00 0.00 C ATOM 0 H LEU A 54 -4.906 3.651 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.902 5.785 -3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.708 3.492 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.645 2.791 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.617 4.157 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.494 5.408 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.123 6.071 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.866 5.033 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.927 2.950 -2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.440 2.576 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.379 1.878 -3.449 1.00 0.00 H new ATOM 887 N ASP A 55 -2.347 6.143 -5.747 1.00 0.00 N ATOM 888 CA ASP A 55 -2.070 6.399 -7.187 1.00 0.00 C ATOM 889 C ASP A 55 -1.062 5.379 -7.716 1.00 0.00 C ATOM 890 O ASP A 55 0.133 5.579 -7.637 1.00 0.00 O ATOM 891 CB ASP A 55 -1.477 7.800 -7.325 1.00 0.00 C ATOM 892 CG ASP A 55 -2.478 8.837 -6.813 1.00 0.00 C ATOM 893 OD1 ASP A 55 -3.466 8.435 -6.220 1.00 0.00 O ATOM 894 OD2 ASP A 55 -2.241 10.015 -7.023 1.00 0.00 O ATOM 0 H ASP A 55 -2.044 6.881 -5.112 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.995 6.315 -7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.547 7.869 -6.761 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.233 8.001 -8.368 1.00 0.00 H new ATOM 899 N LEU A 56 -1.527 4.279 -8.250 1.00 0.00 N ATOM 900 CA LEU A 56 -0.579 3.265 -8.766 1.00 0.00 C ATOM 901 C LEU A 56 0.369 3.934 -9.749 1.00 0.00 C ATOM 902 O LEU A 56 1.466 3.472 -9.980 1.00 0.00 O ATOM 903 CB LEU A 56 -1.351 2.158 -9.483 1.00 0.00 C ATOM 904 CG LEU A 56 -2.476 1.656 -8.584 1.00 0.00 C ATOM 905 CD1 LEU A 56 -3.125 0.425 -9.219 1.00 0.00 C ATOM 906 CD2 LEU A 56 -1.907 1.285 -7.213 1.00 0.00 C ATOM 0 H LEU A 56 -2.515 4.046 -8.348 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.016 2.833 -7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.761 2.535 -10.420 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.680 1.337 -9.736 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.224 2.440 -8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.929 0.066 -8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.531 0.690 -10.195 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.378 -0.360 -9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.711 0.926 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.159 0.501 -7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.446 2.163 -6.761 1.00 0.00 H new ATOM 918 N TYR A 57 -0.053 5.010 -10.349 1.00 0.00 N ATOM 919 CA TYR A 57 0.821 5.689 -11.335 1.00 0.00 C ATOM 920 C TYR A 57 1.885 6.551 -10.649 1.00 0.00 C ATOM 921 O TYR A 57 3.065 6.376 -10.874 1.00 0.00 O ATOM 922 CB TYR A 57 -0.028 6.574 -12.245 1.00 0.00 C ATOM 923 CG TYR A 57 0.866 7.221 -13.272 1.00 0.00 C ATOM 924 CD1 TYR A 57 1.607 6.419 -14.137 1.00 0.00 C ATOM 925 CD2 TYR A 57 0.952 8.611 -13.360 1.00 0.00 C ATOM 926 CE1 TYR A 57 2.437 6.991 -15.093 1.00 0.00 C ATOM 927 CE2 TYR A 57 1.786 9.198 -14.320 1.00 0.00 C ATOM 928 CZ TYR A 57 2.531 8.385 -15.191 1.00 0.00 C ATOM 929 OH TYR A 57 3.353 8.958 -16.139 1.00 0.00 O ATOM 0 H TYR A 57 -0.963 5.446 -10.198 1.00 0.00 H new ATOM 0 HA TYR A 57 1.328 4.919 -11.917 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.798 5.980 -12.737 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.540 7.336 -11.658 1.00 0.00 H new ATOM 0 HD1 TYR A 57 1.536 5.344 -14.064 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.377 9.233 -12.690 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.009 6.362 -15.759 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.856 10.273 -14.391 1.00 0.00 H new ATOM 0 HH TYR A 57 3.300 9.934 -16.071 1.00 0.00 H new ATOM 939 N GLU A 58 1.495 7.497 -9.838 1.00 0.00 N ATOM 940 CA GLU A 58 2.515 8.368 -9.188 1.00 0.00 C ATOM 941 C GLU A 58 3.431 7.531 -8.297 1.00 0.00 C ATOM 942 O GLU A 58 4.624 7.742 -8.261 1.00 0.00 O ATOM 943 CB GLU A 58 1.815 9.435 -8.345 1.00 0.00 C ATOM 944 CG GLU A 58 0.978 10.335 -9.257 1.00 0.00 C ATOM 945 CD GLU A 58 0.311 11.429 -8.423 1.00 0.00 C ATOM 946 OE1 GLU A 58 0.350 11.327 -7.208 1.00 0.00 O ATOM 947 OE2 GLU A 58 -0.230 12.350 -9.014 1.00 0.00 O ATOM 0 H GLU A 58 0.525 7.703 -9.599 1.00 0.00 H new ATOM 0 HA GLU A 58 3.115 8.849 -9.961 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.178 8.963 -7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.552 10.030 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.611 10.782 -10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.221 9.744 -9.773 1.00 0.00 H new ATOM 954 N LEU A 59 2.902 6.567 -7.598 1.00 0.00 N ATOM 955 CA LEU A 59 3.783 5.726 -6.742 1.00 0.00 C ATOM 956 C LEU A 59 4.816 5.050 -7.635 1.00 0.00 C ATOM 957 O LEU A 59 5.981 4.959 -7.307 1.00 0.00 O ATOM 958 CB LEU A 59 2.947 4.663 -6.026 1.00 0.00 C ATOM 959 CG LEU A 59 3.864 3.772 -5.184 1.00 0.00 C ATOM 960 CD1 LEU A 59 4.607 4.627 -4.157 1.00 0.00 C ATOM 961 CD2 LEU A 59 3.026 2.710 -4.462 1.00 0.00 C ATOM 0 H LEU A 59 1.911 6.327 -7.581 1.00 0.00 H new ATOM 0 HA LEU A 59 4.279 6.345 -5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.201 5.140 -5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.405 4.060 -6.755 1.00 0.00 H new ATOM 0 HG LEU A 59 4.587 3.280 -5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.259 3.991 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.206 5.378 -4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.886 5.122 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.680 2.076 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.300 3.199 -3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.502 2.099 -5.197 1.00 0.00 H new ATOM 973 N TYR A 60 4.387 4.596 -8.771 1.00 0.00 N ATOM 974 CA TYR A 60 5.314 3.934 -9.721 1.00 0.00 C ATOM 975 C TYR A 60 6.398 4.928 -10.148 1.00 0.00 C ATOM 976 O TYR A 60 7.560 4.765 -9.839 1.00 0.00 O ATOM 977 CB TYR A 60 4.492 3.513 -10.937 1.00 0.00 C ATOM 978 CG TYR A 60 5.282 2.588 -11.814 1.00 0.00 C ATOM 979 CD1 TYR A 60 5.489 1.269 -11.413 1.00 0.00 C ATOM 980 CD2 TYR A 60 5.784 3.039 -13.037 1.00 0.00 C ATOM 981 CE1 TYR A 60 6.199 0.394 -12.234 1.00 0.00 C ATOM 982 CE2 TYR A 60 6.500 2.166 -13.861 1.00 0.00 C ATOM 983 CZ TYR A 60 6.708 0.842 -13.462 1.00 0.00 C ATOM 984 OH TYR A 60 7.407 -0.020 -14.279 1.00 0.00 O ATOM 0 H TYR A 60 3.419 4.656 -9.088 1.00 0.00 H new ATOM 0 HA TYR A 60 5.794 3.070 -9.263 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.576 3.020 -10.611 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.194 4.395 -11.504 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.099 0.925 -10.466 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.619 4.061 -13.345 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.357 -0.629 -11.925 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.892 2.514 -14.805 1.00 0.00 H new ATOM 0 HH TYR A 60 6.937 -0.879 -14.327 1.00 0.00 H new ATOM 994 N ASN A 61 6.022 5.946 -10.870 1.00 0.00 N ATOM 995 CA ASN A 61 7.028 6.937 -11.348 1.00 0.00 C ATOM 996 C ASN A 61 8.022 7.289 -10.243 1.00 0.00 C ATOM 997 O ASN A 61 9.202 7.415 -10.494 1.00 0.00 O ATOM 998 CB ASN A 61 6.322 8.210 -11.812 1.00 0.00 C ATOM 999 CG ASN A 61 5.608 7.944 -13.135 1.00 0.00 C ATOM 1000 OD1 ASN A 61 5.791 6.908 -13.740 1.00 0.00 O ATOM 1001 ND2 ASN A 61 4.801 8.847 -13.616 1.00 0.00 N ATOM 0 H ASN A 61 5.060 6.136 -11.151 1.00 0.00 H new ATOM 0 HA ASN A 61 7.573 6.489 -12.179 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.605 8.536 -11.059 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.046 9.016 -11.933 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.322 8.683 -14.502 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.648 9.717 -13.107 1.00 0.00 H new ATOM 1008 N LEU A 62 7.587 7.433 -9.022 1.00 0.00 N ATOM 1009 CA LEU A 62 8.584 7.755 -7.968 1.00 0.00 C ATOM 1010 C LEU A 62 9.440 6.512 -7.757 1.00 0.00 C ATOM 1011 O LEU A 62 10.645 6.585 -7.710 1.00 0.00 O ATOM 1012 CB LEU A 62 7.910 8.171 -6.646 1.00 0.00 C ATOM 1013 CG LEU A 62 6.984 9.399 -6.834 1.00 0.00 C ATOM 1014 CD1 LEU A 62 6.909 10.212 -5.537 1.00 0.00 C ATOM 1015 CD2 LEU A 62 7.482 10.316 -7.961 1.00 0.00 C ATOM 0 H LEU A 62 6.618 7.345 -8.716 1.00 0.00 H new ATOM 0 HA LEU A 62 9.191 8.602 -8.287 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.330 7.335 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.675 8.403 -5.905 1.00 0.00 H new ATOM 0 HG LEU A 62 5.997 9.020 -7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.255 11.072 -5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.512 9.586 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.907 10.557 -5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.807 11.166 -8.063 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.484 10.674 -7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.509 9.759 -8.898 1.00 0.00 H new ATOM 1027 N VAL A 63 8.828 5.369 -7.641 1.00 0.00 N ATOM 1028 CA VAL A 63 9.620 4.122 -7.437 1.00 0.00 C ATOM 1029 C VAL A 63 10.623 3.925 -8.586 1.00 0.00 C ATOM 1030 O VAL A 63 11.773 3.610 -8.353 1.00 0.00 O ATOM 1031 CB VAL A 63 8.672 2.913 -7.348 1.00 0.00 C ATOM 1032 CG1 VAL A 63 9.482 1.629 -7.510 1.00 0.00 C ATOM 1033 CG2 VAL A 63 7.959 2.897 -5.979 1.00 0.00 C ATOM 0 H VAL A 63 7.817 5.242 -7.678 1.00 0.00 H new ATOM 0 HA VAL A 63 10.178 4.209 -6.505 1.00 0.00 H new ATOM 0 HB VAL A 63 7.924 2.985 -8.138 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.816 0.768 -7.448 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.980 1.633 -8.479 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.229 1.568 -6.718 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.291 2.037 -5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.701 2.829 -5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.381 3.814 -5.859 1.00 0.00 H new ATOM 1043 N ILE A 64 10.224 4.117 -9.815 1.00 0.00 N ATOM 1044 CA ILE A 64 11.204 3.942 -10.933 1.00 0.00 C ATOM 1045 C ILE A 64 12.208 5.091 -10.865 1.00 0.00 C ATOM 1046 O ILE A 64 13.370 4.947 -11.192 1.00 0.00 O ATOM 1047 CB ILE A 64 10.489 3.983 -12.294 1.00 0.00 C ATOM 1048 CG1 ILE A 64 9.182 3.190 -12.225 1.00 0.00 C ATOM 1049 CG2 ILE A 64 11.396 3.362 -13.379 1.00 0.00 C ATOM 1050 CD1 ILE A 64 9.468 1.770 -11.752 1.00 0.00 C ATOM 0 H ILE A 64 9.279 4.383 -10.093 1.00 0.00 H new ATOM 0 HA ILE A 64 11.702 2.977 -10.832 1.00 0.00 H new ATOM 0 HB ILE A 64 10.272 5.022 -12.544 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.485 3.677 -11.543 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.706 3.168 -13.205 1.00 0.00 H new ATOM 0 HG21 ILE A 64 10.885 3.393 -14.342 1.00 0.00 H new ATOM 0 HG22 ILE A 64 12.326 3.927 -13.443 1.00 0.00 H new ATOM 0 HG23 ILE A 64 11.618 2.327 -13.119 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.535 1.208 -11.704 1.00 0.00 H new ATOM 0 HD12 ILE A 64 10.149 1.284 -12.451 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.924 1.801 -10.763 1.00 0.00 H new ATOM 1062 N ALA A 65 11.746 6.239 -10.460 1.00 0.00 N ATOM 1063 CA ALA A 65 12.637 7.429 -10.383 1.00 0.00 C ATOM 1064 C ALA A 65 13.834 7.136 -9.476 1.00 0.00 C ATOM 1065 O ALA A 65 14.849 7.797 -9.557 1.00 0.00 O ATOM 1066 CB ALA A 65 11.857 8.621 -9.822 1.00 0.00 C ATOM 0 H ALA A 65 10.781 6.406 -10.176 1.00 0.00 H new ATOM 0 HA ALA A 65 12.997 7.663 -11.385 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.512 9.491 -9.767 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.013 8.843 -10.475 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.490 8.379 -8.824 1.00 0.00 H new ATOM 1072 N ARG A 66 13.741 6.158 -8.613 1.00 0.00 N ATOM 1073 CA ARG A 66 14.894 5.851 -7.720 1.00 0.00 C ATOM 1074 C ARG A 66 15.735 4.743 -8.365 1.00 0.00 C ATOM 1075 O ARG A 66 16.737 4.309 -7.833 1.00 0.00 O ATOM 1076 CB ARG A 66 14.365 5.388 -6.361 1.00 0.00 C ATOM 1077 CG ARG A 66 13.285 6.358 -5.873 1.00 0.00 C ATOM 1078 CD ARG A 66 13.916 7.694 -5.502 1.00 0.00 C ATOM 1079 NE ARG A 66 12.931 8.509 -4.729 1.00 0.00 N ATOM 1080 CZ ARG A 66 11.749 8.792 -5.212 1.00 0.00 C ATOM 1081 NH1 ARG A 66 11.461 8.525 -6.457 1.00 0.00 N ATOM 1082 NH2 ARG A 66 10.867 9.392 -4.460 1.00 0.00 N ATOM 0 H ARG A 66 12.922 5.563 -8.489 1.00 0.00 H new ATOM 0 HA ARG A 66 15.512 6.738 -7.578 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.954 4.382 -6.443 1.00 0.00 H new ATOM 0 HB3 ARG A 66 15.180 5.342 -5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.536 6.504 -6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.770 5.937 -5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.816 7.532 -4.909 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.220 8.228 -6.402 1.00 0.00 H new ATOM 0 HE ARG A 66 13.186 8.853 -3.803 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.160 8.093 -7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.537 8.749 -6.826 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.100 9.639 -3.498 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.944 9.614 -4.834 1.00 0.00 H new ATOM 1096 N GLY A 67 15.340 4.320 -9.535 1.00 0.00 N ATOM 1097 CA GLY A 67 16.114 3.276 -10.269 1.00 0.00 C ATOM 1098 C GLY A 67 15.779 1.856 -9.782 1.00 0.00 C ATOM 1099 O GLY A 67 16.484 0.919 -10.101 1.00 0.00 O ATOM 0 H GLY A 67 14.507 4.656 -10.019 1.00 0.00 H new ATOM 0 HA2 GLY A 67 15.903 3.352 -11.336 1.00 0.00 H new ATOM 0 HA3 GLY A 67 17.181 3.460 -10.142 1.00 0.00 H new ATOM 1103 N GLY A 68 14.714 1.666 -9.042 1.00 0.00 N ATOM 1104 CA GLY A 68 14.377 0.275 -8.591 1.00 0.00 C ATOM 1105 C GLY A 68 13.899 0.262 -7.137 1.00 0.00 C ATOM 1106 O GLY A 68 14.494 0.862 -6.266 1.00 0.00 O ATOM 0 H GLY A 68 14.073 2.397 -8.734 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.602 -0.140 -9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 68 15.253 -0.365 -8.694 1.00 0.00 H new ATOM 1110 N LEU A 69 12.811 -0.417 -6.882 1.00 0.00 N ATOM 1111 CA LEU A 69 12.254 -0.483 -5.501 1.00 0.00 C ATOM 1112 C LEU A 69 13.343 -0.870 -4.494 1.00 0.00 C ATOM 1113 O LEU A 69 13.396 -0.341 -3.400 1.00 0.00 O ATOM 1114 CB LEU A 69 11.146 -1.544 -5.469 1.00 0.00 C ATOM 1115 CG LEU A 69 10.441 -1.525 -4.106 1.00 0.00 C ATOM 1116 CD1 LEU A 69 9.504 -0.308 -4.010 1.00 0.00 C ATOM 1117 CD2 LEU A 69 9.633 -2.819 -3.931 1.00 0.00 C ATOM 0 H LEU A 69 12.279 -0.935 -7.582 1.00 0.00 H new ATOM 0 HA LEU A 69 11.860 0.497 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.425 -1.353 -6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.570 -2.531 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 69 11.190 -1.454 -3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.009 -0.305 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.084 0.608 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.754 -0.363 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.132 -2.807 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.889 -2.893 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.304 -3.677 -3.981 1.00 0.00 H new ATOM 1129 N VAL A 70 14.198 -1.795 -4.833 1.00 0.00 N ATOM 1130 CA VAL A 70 15.255 -2.206 -3.862 1.00 0.00 C ATOM 1131 C VAL A 70 16.114 -0.998 -3.487 1.00 0.00 C ATOM 1132 O VAL A 70 16.463 -0.810 -2.337 1.00 0.00 O ATOM 1133 CB VAL A 70 16.134 -3.307 -4.475 1.00 0.00 C ATOM 1134 CG1 VAL A 70 17.298 -3.611 -3.523 1.00 0.00 C ATOM 1135 CG2 VAL A 70 15.291 -4.579 -4.690 1.00 0.00 C ATOM 0 H VAL A 70 14.213 -2.281 -5.730 1.00 0.00 H new ATOM 0 HA VAL A 70 14.779 -2.596 -2.963 1.00 0.00 H new ATOM 0 HB VAL A 70 16.527 -2.972 -5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 70 17.925 -4.392 -3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 70 17.892 -2.709 -3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 70 16.905 -3.948 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 70 15.915 -5.360 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 70 14.897 -4.920 -3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.464 -4.358 -5.365 1.00 0.00 H new ATOM 1145 N ASP A 71 16.456 -0.172 -4.436 1.00 0.00 N ATOM 1146 CA ASP A 71 17.285 1.023 -4.111 1.00 0.00 C ATOM 1147 C ASP A 71 16.570 1.844 -3.034 1.00 0.00 C ATOM 1148 O ASP A 71 17.179 2.360 -2.121 1.00 0.00 O ATOM 1149 CB ASP A 71 17.464 1.873 -5.371 1.00 0.00 C ATOM 1150 CG ASP A 71 18.570 2.906 -5.142 1.00 0.00 C ATOM 1151 OD1 ASP A 71 19.225 2.824 -4.116 1.00 0.00 O ATOM 1152 OD2 ASP A 71 18.743 3.757 -5.997 1.00 0.00 O ATOM 0 H ASP A 71 16.199 -0.271 -5.418 1.00 0.00 H new ATOM 0 HA ASP A 71 18.263 0.710 -3.746 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.718 1.236 -6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 71 16.529 2.376 -5.619 1.00 0.00 H new ATOM 1157 N VAL A 72 15.274 1.956 -3.139 1.00 0.00 N ATOM 1158 CA VAL A 72 14.482 2.730 -2.136 1.00 0.00 C ATOM 1159 C VAL A 72 14.555 2.066 -0.772 1.00 0.00 C ATOM 1160 O VAL A 72 14.719 2.723 0.225 1.00 0.00 O ATOM 1161 CB VAL A 72 13.025 2.773 -2.598 1.00 0.00 C ATOM 1162 CG1 VAL A 72 12.159 3.479 -1.553 1.00 0.00 C ATOM 1163 CG2 VAL A 72 12.935 3.504 -3.944 1.00 0.00 C ATOM 0 H VAL A 72 14.721 1.539 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 72 14.889 3.738 -2.054 1.00 0.00 H new ATOM 0 HB VAL A 72 12.657 1.754 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.124 3.503 -1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.217 2.939 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.518 4.498 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.896 3.534 -4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 72 13.310 4.521 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 72 13.535 2.976 -4.685 1.00 0.00 H new ATOM 1173 N ILE A 73 14.417 0.781 -0.705 1.00 0.00 N ATOM 1174 CA ILE A 73 14.463 0.118 0.623 1.00 0.00 C ATOM 1175 C ILE A 73 15.875 0.227 1.216 1.00 0.00 C ATOM 1176 O ILE A 73 16.048 0.665 2.337 1.00 0.00 O ATOM 1177 CB ILE A 73 14.056 -1.347 0.459 1.00 0.00 C ATOM 1178 CG1 ILE A 73 12.700 -1.395 -0.250 1.00 0.00 C ATOM 1179 CG2 ILE A 73 13.934 -2.009 1.834 1.00 0.00 C ATOM 1180 CD1 ILE A 73 12.251 -2.847 -0.420 1.00 0.00 C ATOM 0 H ILE A 73 14.275 0.161 -1.503 1.00 0.00 H new ATOM 0 HA ILE A 73 13.770 0.608 1.307 1.00 0.00 H new ATOM 0 HB ILE A 73 14.808 -1.878 -0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.959 -0.841 0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.772 -0.911 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.644 -3.052 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 73 14.893 -1.957 2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 73 13.178 -1.489 2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 73 11.285 -2.873 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 73 12.986 -3.388 -1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.161 -3.317 0.559 1.00 0.00 H new ATOM 1192 N ASN A 74 16.884 -0.167 0.484 1.00 0.00 N ATOM 1193 CA ASN A 74 18.271 -0.086 1.013 1.00 0.00 C ATOM 1194 C ASN A 74 18.607 1.350 1.403 1.00 0.00 C ATOM 1195 O ASN A 74 19.196 1.601 2.435 1.00 0.00 O ATOM 1196 CB ASN A 74 19.255 -0.552 -0.063 1.00 0.00 C ATOM 1197 CG ASN A 74 19.055 -2.044 -0.334 1.00 0.00 C ATOM 1198 OD1 ASN A 74 18.194 -2.715 0.378 1.00 0.00 O flip ATOM 1199 ND2 ASN A 74 19.693 -2.604 -1.203 1.00 0.00 N flip ATOM 0 H ASN A 74 16.803 -0.542 -0.461 1.00 0.00 H new ATOM 0 HA ASN A 74 18.348 -0.724 1.893 1.00 0.00 H new ATOM 0 HB2 ASN A 74 19.103 0.017 -0.980 1.00 0.00 H new ATOM 0 HB3 ASN A 74 20.279 -0.366 0.262 1.00 0.00 H new ATOM 0 HD21 ASN A 74 20.367 -2.078 -1.760 1.00 0.00 H new ATOM 0 HD22 ASN A 74 19.555 -3.600 -1.376 1.00 0.00 H new ATOM 1206 N LYS A 75 18.236 2.301 0.586 1.00 0.00 N ATOM 1207 CA LYS A 75 18.539 3.719 0.920 1.00 0.00 C ATOM 1208 C LYS A 75 17.345 4.370 1.624 1.00 0.00 C ATOM 1209 O LYS A 75 17.427 5.488 2.091 1.00 0.00 O ATOM 1210 CB LYS A 75 18.871 4.500 -0.360 1.00 0.00 C ATOM 1211 CG LYS A 75 20.363 4.365 -0.684 1.00 0.00 C ATOM 1212 CD LYS A 75 20.669 2.934 -1.129 1.00 0.00 C ATOM 1213 CE LYS A 75 22.147 2.827 -1.511 1.00 0.00 C ATOM 1214 NZ LYS A 75 22.383 3.564 -2.785 1.00 0.00 N ATOM 0 H LYS A 75 17.739 2.156 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 75 19.398 3.741 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 75 18.274 4.123 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 75 18.612 5.551 -0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.639 5.067 -1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.959 4.618 0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 75 20.438 2.234 -0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 75 20.042 2.663 -1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.770 3.241 -0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 75 22.430 1.781 -1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.282 3.252 -3.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 21.605 3.370 -3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.427 4.585 -2.592 1.00 0.00 H new ATOM 1228 N LYS A 76 16.229 3.698 1.666 1.00 0.00 N ATOM 1229 CA LYS A 76 15.015 4.289 2.300 1.00 0.00 C ATOM 1230 C LYS A 76 14.646 5.588 1.592 1.00 0.00 C ATOM 1231 O LYS A 76 14.602 6.641 2.195 1.00 0.00 O ATOM 1232 CB LYS A 76 15.247 4.578 3.790 1.00 0.00 C ATOM 1233 CG LYS A 76 14.972 3.328 4.632 1.00 0.00 C ATOM 1234 CD LYS A 76 14.731 3.752 6.082 1.00 0.00 C ATOM 1235 CE LYS A 76 16.040 4.261 6.689 1.00 0.00 C ATOM 1236 NZ LYS A 76 15.906 4.328 8.172 1.00 0.00 N ATOM 0 H LYS A 76 16.104 2.759 1.287 1.00 0.00 H new ATOM 0 HA LYS A 76 14.204 3.567 2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.274 4.909 3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.597 5.391 4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.103 2.796 4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.817 2.642 4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.971 4.533 6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.353 2.909 6.661 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.862 3.598 6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.280 5.247 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.795 4.674 8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.133 4.977 8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.697 3.380 8.545 1.00 0.00 H new ATOM 1250 N LEU A 77 14.355 5.528 0.325 1.00 0.00 N ATOM 1251 CA LEU A 77 13.965 6.768 -0.391 1.00 0.00 C ATOM 1252 C LEU A 77 12.444 6.905 -0.307 1.00 0.00 C ATOM 1253 O LEU A 77 11.829 7.647 -1.047 1.00 0.00 O ATOM 1254 CB LEU A 77 14.442 6.698 -1.849 1.00 0.00 C ATOM 1255 CG LEU A 77 15.981 6.615 -1.863 1.00 0.00 C ATOM 1256 CD1 LEU A 77 16.489 5.940 -3.150 1.00 0.00 C ATOM 1257 CD2 LEU A 77 16.569 8.033 -1.776 1.00 0.00 C ATOM 0 H LEU A 77 14.370 4.680 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 77 14.430 7.642 0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.012 5.828 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.106 7.577 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 77 16.299 6.018 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 77 17.578 5.895 -3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.085 4.930 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.164 6.517 -4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.658 7.977 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.228 8.621 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.238 8.508 -0.852 1.00 0.00 H new ATOM 1269 N TRP A 78 11.832 6.193 0.615 1.00 0.00 N ATOM 1270 CA TRP A 78 10.352 6.283 0.773 1.00 0.00 C ATOM 1271 C TRP A 78 9.971 7.692 1.211 1.00 0.00 C ATOM 1272 O TRP A 78 9.027 8.260 0.708 1.00 0.00 O ATOM 1273 CB TRP A 78 9.865 5.288 1.826 1.00 0.00 C ATOM 1274 CG TRP A 78 10.028 3.901 1.309 1.00 0.00 C ATOM 1275 CD1 TRP A 78 10.965 3.025 1.727 1.00 0.00 C ATOM 1276 CD2 TRP A 78 9.257 3.219 0.282 1.00 0.00 C ATOM 1277 NE1 TRP A 78 10.814 1.840 1.034 1.00 0.00 N ATOM 1278 CE2 TRP A 78 9.776 1.911 0.128 1.00 0.00 C ATOM 1279 CE3 TRP A 78 8.168 3.601 -0.523 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 9.233 1.015 -0.789 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 7.625 2.701 -1.448 1.00 0.00 C ATOM 1282 CH2 TRP A 78 8.152 1.415 -1.581 1.00 0.00 C ATOM 0 H TRP A 78 12.298 5.556 1.261 1.00 0.00 H new ATOM 0 HA TRP A 78 9.886 6.049 -0.184 1.00 0.00 H new ATOM 0 HB2 TRP A 78 10.431 5.413 2.749 1.00 0.00 H new ATOM 0 HB3 TRP A 78 8.819 5.478 2.065 1.00 0.00 H new ATOM 0 HD1 TRP A 78 11.713 3.219 2.482 1.00 0.00 H new ATOM 0 HE1 TRP A 78 11.397 1.015 1.175 1.00 0.00 H new ATOM 0 HE3 TRP A 78 7.749 4.592 -0.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 9.643 0.021 -0.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 6.791 3.004 -2.064 1.00 0.00 H new ATOM 0 HH2 TRP A 78 7.724 0.728 -2.296 1.00 0.00 H new ATOM 1293 N GLN A 79 10.690 8.283 2.134 1.00 0.00 N ATOM 1294 CA GLN A 79 10.311 9.660 2.547 1.00 0.00 C ATOM 1295 C GLN A 79 10.101 10.499 1.288 1.00 0.00 C ATOM 1296 O GLN A 79 9.190 11.298 1.208 1.00 0.00 O ATOM 1297 CB GLN A 79 11.423 10.277 3.394 1.00 0.00 C ATOM 1298 CG GLN A 79 11.575 9.480 4.689 1.00 0.00 C ATOM 1299 CD GLN A 79 12.549 10.205 5.614 1.00 0.00 C ATOM 1300 OE1 GLN A 79 13.742 9.985 5.554 1.00 0.00 O ATOM 1301 NE2 GLN A 79 12.086 11.073 6.470 1.00 0.00 N ATOM 0 H GLN A 79 11.500 7.881 2.605 1.00 0.00 H new ATOM 0 HA GLN A 79 9.397 9.631 3.140 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.362 10.274 2.840 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.189 11.317 3.619 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.607 9.368 5.177 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.940 8.476 4.471 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.084 11.256 6.519 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.726 11.569 7.091 1.00 0.00 H new ATOM 1310 N GLU A 80 10.921 10.304 0.289 1.00 0.00 N ATOM 1311 CA GLU A 80 10.740 11.072 -0.972 1.00 0.00 C ATOM 1312 C GLU A 80 9.424 10.634 -1.616 1.00 0.00 C ATOM 1313 O GLU A 80 8.663 11.438 -2.115 1.00 0.00 O ATOM 1314 CB GLU A 80 11.905 10.781 -1.923 1.00 0.00 C ATOM 1315 CG GLU A 80 13.193 11.369 -1.347 1.00 0.00 C ATOM 1316 CD GLU A 80 13.068 12.891 -1.268 1.00 0.00 C ATOM 1317 OE1 GLU A 80 12.192 13.428 -1.927 1.00 0.00 O ATOM 1318 OE2 GLU A 80 13.850 13.495 -0.553 1.00 0.00 O ATOM 0 H GLU A 80 11.703 9.649 0.294 1.00 0.00 H new ATOM 0 HA GLU A 80 10.717 12.141 -0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 80 12.014 9.706 -2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.703 11.211 -2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.382 10.957 -0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 80 14.042 11.095 -1.973 1.00 0.00 H new ATOM 1325 N ILE A 81 9.145 9.358 -1.585 1.00 0.00 N ATOM 1326 CA ILE A 81 7.868 8.857 -2.168 1.00 0.00 C ATOM 1327 C ILE A 81 6.717 9.267 -1.250 1.00 0.00 C ATOM 1328 O ILE A 81 5.744 9.856 -1.675 1.00 0.00 O ATOM 1329 CB ILE A 81 7.924 7.335 -2.270 1.00 0.00 C ATOM 1330 CG1 ILE A 81 9.168 6.948 -3.073 1.00 0.00 C ATOM 1331 CG2 ILE A 81 6.663 6.818 -2.974 1.00 0.00 C ATOM 1332 CD1 ILE A 81 9.041 5.514 -3.586 1.00 0.00 C ATOM 0 H ILE A 81 9.747 8.641 -1.181 1.00 0.00 H new ATOM 0 HA ILE A 81 7.717 9.279 -3.162 1.00 0.00 H new ATOM 0 HB ILE A 81 7.974 6.893 -1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.295 7.632 -3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 81 10.056 7.041 -2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.706 5.731 -3.045 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.782 7.110 -2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.604 7.245 -3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.932 5.251 -4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 81 8.936 4.833 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 81 8.164 5.433 -4.228 1.00 0.00 H new ATOM 1344 N ILE A 82 6.830 8.955 0.012 1.00 0.00 N ATOM 1345 CA ILE A 82 5.756 9.316 0.973 1.00 0.00 C ATOM 1346 C ILE A 82 5.468 10.812 0.845 1.00 0.00 C ATOM 1347 O ILE A 82 4.343 11.226 0.655 1.00 0.00 O ATOM 1348 CB ILE A 82 6.243 9.007 2.393 1.00 0.00 C ATOM 1349 CG1 ILE A 82 6.651 7.535 2.491 1.00 0.00 C ATOM 1350 CG2 ILE A 82 5.119 9.269 3.397 1.00 0.00 C ATOM 1351 CD1 ILE A 82 7.552 7.328 3.715 1.00 0.00 C ATOM 0 H ILE A 82 7.626 8.463 0.418 1.00 0.00 H new ATOM 0 HA ILE A 82 4.849 8.748 0.765 1.00 0.00 H new ATOM 0 HB ILE A 82 7.097 9.647 2.617 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.764 6.906 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.177 7.232 1.585 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.472 9.047 4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.817 10.315 3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.266 8.632 3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.840 6.279 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.446 7.944 3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.011 7.613 4.617 1.00 0.00 H new ATOM 1363 N LYS A 83 6.486 11.623 0.937 1.00 0.00 N ATOM 1364 CA LYS A 83 6.284 13.093 0.811 1.00 0.00 C ATOM 1365 C LYS A 83 5.977 13.455 -0.649 1.00 0.00 C ATOM 1366 O LYS A 83 5.141 14.292 -0.928 1.00 0.00 O ATOM 1367 CB LYS A 83 7.554 13.816 1.260 1.00 0.00 C ATOM 1368 CG LYS A 83 7.786 13.557 2.748 1.00 0.00 C ATOM 1369 CD LYS A 83 8.992 14.367 3.225 1.00 0.00 C ATOM 1370 CE LYS A 83 9.285 14.032 4.687 1.00 0.00 C ATOM 1371 NZ LYS A 83 8.122 14.435 5.529 1.00 0.00 N ATOM 0 H LYS A 83 7.450 11.330 1.094 1.00 0.00 H new ATOM 0 HA LYS A 83 5.446 13.398 1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.409 13.466 0.681 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.461 14.886 1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.900 13.834 3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.957 12.494 2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.862 14.142 2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.793 15.433 3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.475 12.964 4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.185 14.551 5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.419 14.498 6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.769 15.361 5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.366 13.727 5.438 1.00 0.00 H new ATOM 1385 N GLY A 84 6.659 12.839 -1.582 1.00 0.00 N ATOM 1386 CA GLY A 84 6.418 13.158 -3.021 1.00 0.00 C ATOM 1387 C GLY A 84 4.928 13.032 -3.329 1.00 0.00 C ATOM 1388 O GLY A 84 4.381 13.777 -4.119 1.00 0.00 O ATOM 0 H GLY A 84 7.371 12.130 -1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.762 14.168 -3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.990 12.480 -3.655 1.00 0.00 H new ATOM 1392 N LEU A 85 4.265 12.103 -2.703 1.00 0.00 N ATOM 1393 CA LEU A 85 2.807 11.936 -2.948 1.00 0.00 C ATOM 1394 C LEU A 85 2.036 12.813 -1.962 1.00 0.00 C ATOM 1395 O LEU A 85 0.835 12.965 -2.055 1.00 0.00 O ATOM 1396 CB LEU A 85 2.429 10.472 -2.737 1.00 0.00 C ATOM 1397 CG LEU A 85 3.253 9.591 -3.684 1.00 0.00 C ATOM 1398 CD1 LEU A 85 2.846 8.123 -3.511 1.00 0.00 C ATOM 1399 CD2 LEU A 85 3.002 10.026 -5.135 1.00 0.00 C ATOM 0 H LEU A 85 4.670 11.451 -2.031 1.00 0.00 H new ATOM 0 HA LEU A 85 2.562 12.230 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.613 10.183 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.365 10.329 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 85 4.312 9.700 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.434 7.501 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.027 7.814 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.787 8.009 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.587 9.400 -5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.943 9.919 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.298 11.068 -5.259 1.00 0.00 H new ATOM 1411 N HIS A 86 2.731 13.391 -1.023 1.00 0.00 N ATOM 1412 CA HIS A 86 2.069 14.272 -0.017 1.00 0.00 C ATOM 1413 C HIS A 86 1.153 13.432 0.875 1.00 0.00 C ATOM 1414 O HIS A 86 0.085 13.860 1.265 1.00 0.00 O ATOM 1415 CB HIS A 86 1.249 15.346 -0.736 1.00 0.00 C ATOM 1416 CG HIS A 86 2.017 15.842 -1.931 1.00 0.00 C ATOM 1417 ND1 HIS A 86 3.023 16.789 -1.824 1.00 0.00 N ATOM 1418 CD2 HIS A 86 1.941 15.527 -3.267 1.00 0.00 C ATOM 1419 CE1 HIS A 86 3.508 17.008 -3.060 1.00 0.00 C ATOM 1420 NE2 HIS A 86 2.883 16.264 -3.976 1.00 0.00 N ATOM 0 H HIS A 86 3.739 13.291 -0.907 1.00 0.00 H new ATOM 0 HA HIS A 86 2.828 14.753 0.599 1.00 0.00 H new ATOM 0 HB2 HIS A 86 0.289 14.937 -1.051 1.00 0.00 H new ATOM 0 HB3 HIS A 86 1.036 16.172 -0.058 1.00 0.00 H new ATOM 0 HD2 HIS A 86 1.254 14.815 -3.700 1.00 0.00 H new ATOM 0 HE1 HIS A 86 4.306 17.701 -3.284 1.00 0.00 H new ATOM 0 HE2 HIS A 86 3.059 16.241 -4.980 1.00 0.00 H new ATOM 1428 N LEU A 87 1.577 12.248 1.219 1.00 0.00 N ATOM 1429 CA LEU A 87 0.747 11.388 2.108 1.00 0.00 C ATOM 1430 C LEU A 87 0.791 11.957 3.538 1.00 0.00 C ATOM 1431 O LEU A 87 1.853 12.057 4.122 1.00 0.00 O ATOM 1432 CB LEU A 87 1.307 9.966 2.101 1.00 0.00 C ATOM 1433 CG LEU A 87 0.770 9.214 0.880 1.00 0.00 C ATOM 1434 CD1 LEU A 87 1.739 8.093 0.505 1.00 0.00 C ATOM 1435 CD2 LEU A 87 -0.602 8.613 1.205 1.00 0.00 C ATOM 0 H LEU A 87 2.463 11.838 0.923 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.284 11.370 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.396 9.992 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.022 9.447 3.016 1.00 0.00 H new ATOM 0 HG LEU A 87 0.672 9.907 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.357 7.557 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.714 8.519 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.838 7.402 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.981 8.079 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.507 7.921 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.295 9.411 1.471 1.00 0.00 H new ATOM 1447 N PRO A 88 -0.332 12.331 4.113 1.00 0.00 N ATOM 1448 CA PRO A 88 -0.358 12.892 5.498 1.00 0.00 C ATOM 1449 C PRO A 88 0.454 12.051 6.493 1.00 0.00 C ATOM 1450 O PRO A 88 0.426 10.836 6.466 1.00 0.00 O ATOM 1451 CB PRO A 88 -1.841 12.868 5.877 1.00 0.00 C ATOM 1452 CG PRO A 88 -2.588 12.904 4.585 1.00 0.00 C ATOM 1453 CD PRO A 88 -1.684 12.272 3.525 1.00 0.00 C ATOM 0 HA PRO A 88 0.089 13.886 5.531 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -2.085 11.971 6.446 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.099 13.722 6.503 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.527 12.356 4.667 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.840 13.929 4.314 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.980 11.245 3.312 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.732 12.820 2.584 1.00 0.00 H new ATOM 1461 N SER A 89 1.178 12.695 7.370 1.00 0.00 N ATOM 1462 CA SER A 89 1.997 11.952 8.373 1.00 0.00 C ATOM 1463 C SER A 89 1.088 11.091 9.252 1.00 0.00 C ATOM 1464 O SER A 89 1.538 10.435 10.171 1.00 0.00 O ATOM 1465 CB SER A 89 2.757 12.949 9.248 1.00 0.00 C ATOM 1466 OG SER A 89 1.834 13.647 10.074 1.00 0.00 O ATOM 0 H SER A 89 1.238 13.711 7.435 1.00 0.00 H new ATOM 0 HA SER A 89 2.705 11.308 7.852 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.490 12.426 9.863 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.308 13.652 8.624 1.00 0.00 H new ATOM 0 HG SER A 89 2.318 14.286 10.638 1.00 0.00 H new ATOM 1472 N SER A 90 -0.193 11.113 9.002 1.00 0.00 N ATOM 1473 CA SER A 90 -1.125 10.322 9.855 1.00 0.00 C ATOM 1474 C SER A 90 -0.797 8.832 9.725 1.00 0.00 C ATOM 1475 O SER A 90 -0.924 8.080 10.670 1.00 0.00 O ATOM 1476 CB SER A 90 -2.565 10.559 9.402 1.00 0.00 C ATOM 1477 OG SER A 90 -2.776 11.953 9.216 1.00 0.00 O ATOM 0 H SER A 90 -0.633 11.641 8.248 1.00 0.00 H new ATOM 0 HA SER A 90 -1.013 10.635 10.893 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.759 10.023 8.473 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.261 10.170 10.145 1.00 0.00 H new ATOM 0 HG SER A 90 -3.698 12.108 8.924 1.00 0.00 H new ATOM 1483 N ILE A 91 -0.353 8.396 8.579 1.00 0.00 N ATOM 1484 CA ILE A 91 0.001 6.957 8.436 1.00 0.00 C ATOM 1485 C ILE A 91 1.454 6.758 8.869 1.00 0.00 C ATOM 1486 O ILE A 91 2.377 7.044 8.132 1.00 0.00 O ATOM 1487 CB ILE A 91 -0.167 6.513 6.982 1.00 0.00 C ATOM 1488 CG1 ILE A 91 -1.648 6.595 6.595 1.00 0.00 C ATOM 1489 CG2 ILE A 91 0.330 5.072 6.835 1.00 0.00 C ATOM 1490 CD1 ILE A 91 -1.818 6.273 5.108 1.00 0.00 C ATOM 0 H ILE A 91 -0.221 8.967 7.744 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.660 6.358 9.063 1.00 0.00 H new ATOM 0 HB ILE A 91 0.412 7.163 6.326 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.229 5.895 7.196 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.033 7.593 6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.212 4.750 5.800 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.382 5.020 7.114 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.251 4.419 7.486 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.873 6.333 4.841 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.252 6.990 4.513 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.451 5.266 4.909 1.00 0.00 H new ATOM 1502 N THR A 92 1.664 6.271 10.061 1.00 0.00 N ATOM 1503 CA THR A 92 3.057 6.056 10.542 1.00 0.00 C ATOM 1504 C THR A 92 3.698 4.928 9.733 1.00 0.00 C ATOM 1505 O THR A 92 4.895 4.898 9.526 1.00 0.00 O ATOM 1506 CB THR A 92 3.025 5.675 12.023 1.00 0.00 C ATOM 1507 OG1 THR A 92 2.436 4.390 12.167 1.00 0.00 O ATOM 1508 CG2 THR A 92 2.202 6.707 12.796 1.00 0.00 C ATOM 0 H THR A 92 0.931 6.013 10.722 1.00 0.00 H new ATOM 0 HA THR A 92 3.639 6.969 10.416 1.00 0.00 H new ATOM 0 HB THR A 92 4.041 5.654 12.417 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.416 4.144 13.115 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.178 6.437 13.852 1.00 0.00 H new ATOM 0 HG22 THR A 92 2.655 7.692 12.684 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.185 6.729 12.404 1.00 0.00 H new ATOM 1516 N SER A 93 2.902 4.007 9.266 1.00 0.00 N ATOM 1517 CA SER A 93 3.448 2.881 8.460 1.00 0.00 C ATOM 1518 C SER A 93 3.334 3.228 6.976 1.00 0.00 C ATOM 1519 O SER A 93 3.007 2.393 6.156 1.00 0.00 O ATOM 1520 CB SER A 93 2.649 1.609 8.748 1.00 0.00 C ATOM 1521 OG SER A 93 2.971 1.136 10.049 1.00 0.00 O ATOM 0 H SER A 93 1.892 3.986 9.409 1.00 0.00 H new ATOM 0 HA SER A 93 4.493 2.716 8.722 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.581 1.813 8.677 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.878 0.846 8.004 1.00 0.00 H new ATOM 0 HG SER A 93 2.459 0.322 10.237 1.00 0.00 H new ATOM 1527 N ALA A 94 3.596 4.456 6.621 1.00 0.00 N ATOM 1528 CA ALA A 94 3.497 4.849 5.189 1.00 0.00 C ATOM 1529 C ALA A 94 4.520 4.050 4.384 1.00 0.00 C ATOM 1530 O ALA A 94 4.173 3.254 3.534 1.00 0.00 O ATOM 1531 CB ALA A 94 3.790 6.344 5.046 1.00 0.00 C ATOM 0 H ALA A 94 3.874 5.202 7.259 1.00 0.00 H new ATOM 0 HA ALA A 94 2.493 4.643 4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.717 6.630 3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.066 6.914 5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.796 6.554 5.410 1.00 0.00 H new ATOM 1537 N ALA A 95 5.780 4.261 4.641 1.00 0.00 N ATOM 1538 CA ALA A 95 6.830 3.518 3.884 1.00 0.00 C ATOM 1539 C ALA A 95 6.490 2.019 3.867 1.00 0.00 C ATOM 1540 O ALA A 95 6.468 1.397 2.823 1.00 0.00 O ATOM 1541 CB ALA A 95 8.194 3.742 4.558 1.00 0.00 C ATOM 0 H ALA A 95 6.130 4.915 5.341 1.00 0.00 H new ATOM 0 HA ALA A 95 6.871 3.882 2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.965 3.201 4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.429 4.806 4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.157 3.377 5.585 1.00 0.00 H new ATOM 1547 N LEU A 96 6.238 1.425 5.004 1.00 0.00 N ATOM 1548 CA LEU A 96 5.918 -0.036 5.019 1.00 0.00 C ATOM 1549 C LEU A 96 4.691 -0.301 4.151 1.00 0.00 C ATOM 1550 O LEU A 96 4.685 -1.202 3.335 1.00 0.00 O ATOM 1551 CB LEU A 96 5.605 -0.475 6.452 1.00 0.00 C ATOM 1552 CG LEU A 96 5.290 -1.982 6.496 1.00 0.00 C ATOM 1553 CD1 LEU A 96 6.577 -2.783 6.688 1.00 0.00 C ATOM 1554 CD2 LEU A 96 4.357 -2.262 7.666 1.00 0.00 C ATOM 0 H LEU A 96 6.239 1.882 5.916 1.00 0.00 H new ATOM 0 HA LEU A 96 6.773 -0.592 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.454 -0.255 7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.756 0.092 6.835 1.00 0.00 H new ATOM 0 HG LEU A 96 4.819 -2.275 5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.342 -3.847 6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.256 -2.584 5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.052 -2.490 7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.130 -3.327 7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.839 -1.961 8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.433 -1.698 7.538 1.00 0.00 H new ATOM 1566 N THR A 97 3.653 0.468 4.309 1.00 0.00 N ATOM 1567 CA THR A 97 2.445 0.242 3.480 1.00 0.00 C ATOM 1568 C THR A 97 2.822 0.385 2.013 1.00 0.00 C ATOM 1569 O THR A 97 2.368 -0.356 1.164 1.00 0.00 O ATOM 1570 CB THR A 97 1.382 1.284 3.841 1.00 0.00 C ATOM 1571 OG1 THR A 97 0.978 1.099 5.190 1.00 0.00 O ATOM 1572 CG2 THR A 97 0.173 1.145 2.914 1.00 0.00 C ATOM 0 H THR A 97 3.591 1.239 4.974 1.00 0.00 H new ATOM 0 HA THR A 97 2.048 -0.757 3.662 1.00 0.00 H new ATOM 0 HB THR A 97 1.804 2.282 3.721 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.674 1.440 5.790 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.577 1.890 3.179 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.487 1.298 1.881 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.254 0.148 3.020 1.00 0.00 H new ATOM 1580 N LEU A 98 3.649 1.342 1.712 1.00 0.00 N ATOM 1581 CA LEU A 98 4.060 1.557 0.317 1.00 0.00 C ATOM 1582 C LEU A 98 4.988 0.427 -0.143 1.00 0.00 C ATOM 1583 O LEU A 98 4.830 -0.105 -1.219 1.00 0.00 O ATOM 1584 CB LEU A 98 4.783 2.900 0.256 1.00 0.00 C ATOM 1585 CG LEU A 98 3.787 4.041 0.518 1.00 0.00 C ATOM 1586 CD1 LEU A 98 4.497 5.213 1.192 1.00 0.00 C ATOM 1587 CD2 LEU A 98 3.225 4.526 -0.812 1.00 0.00 C ATOM 0 H LEU A 98 4.058 1.988 2.387 1.00 0.00 H new ATOM 0 HA LEU A 98 3.193 1.561 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.583 2.926 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.248 3.029 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 98 2.990 3.673 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.782 6.016 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.922 4.884 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.295 5.577 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.517 5.336 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.039 4.887 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.716 3.703 -1.314 1.00 0.00 H new ATOM 1599 N ARG A 99 5.954 0.052 0.655 1.00 0.00 N ATOM 1600 CA ARG A 99 6.884 -1.041 0.237 1.00 0.00 C ATOM 1601 C ARG A 99 6.153 -2.379 0.157 1.00 0.00 C ATOM 1602 O ARG A 99 6.252 -3.093 -0.821 1.00 0.00 O ATOM 1603 CB ARG A 99 8.027 -1.153 1.254 1.00 0.00 C ATOM 1604 CG ARG A 99 9.049 -2.205 0.787 1.00 0.00 C ATOM 1605 CD ARG A 99 8.814 -3.535 1.514 1.00 0.00 C ATOM 1606 NE ARG A 99 8.971 -3.333 2.981 1.00 0.00 N ATOM 1607 CZ ARG A 99 8.537 -4.238 3.815 1.00 0.00 C ATOM 1608 NH1 ARG A 99 7.967 -5.322 3.365 1.00 0.00 N ATOM 1609 NH2 ARG A 99 8.674 -4.059 5.101 1.00 0.00 N ATOM 0 H ARG A 99 6.139 0.453 1.574 1.00 0.00 H new ATOM 0 HA ARG A 99 7.279 -0.799 -0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.516 -0.186 1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 99 7.630 -1.429 2.231 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.964 -2.351 -0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 99 10.061 -1.850 0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.815 -3.911 1.293 1.00 0.00 H new ATOM 0 HD3 ARG A 99 9.522 -4.285 1.161 1.00 0.00 H new ATOM 0 HE ARG A 99 9.418 -2.487 3.334 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.860 -5.463 2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.628 -6.029 4.018 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.120 -3.212 5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.335 -4.766 5.753 1.00 0.00 H new ATOM 1623 N THR A 100 5.442 -2.739 1.183 1.00 0.00 N ATOM 1624 CA THR A 100 4.732 -4.047 1.172 1.00 0.00 C ATOM 1625 C THR A 100 3.810 -4.135 -0.049 1.00 0.00 C ATOM 1626 O THR A 100 3.887 -5.064 -0.835 1.00 0.00 O ATOM 1627 CB THR A 100 3.906 -4.163 2.458 1.00 0.00 C ATOM 1628 OG1 THR A 100 4.724 -3.823 3.569 1.00 0.00 O ATOM 1629 CG2 THR A 100 3.392 -5.592 2.630 1.00 0.00 C ATOM 0 H THR A 100 5.320 -2.185 2.031 1.00 0.00 H new ATOM 0 HA THR A 100 5.456 -4.860 1.118 1.00 0.00 H new ATOM 0 HB THR A 100 3.055 -3.485 2.397 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.814 -2.849 3.623 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.807 -5.660 3.547 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.765 -5.858 1.779 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.237 -6.278 2.687 1.00 0.00 H new ATOM 1637 N GLN A 101 2.936 -3.184 -0.215 1.00 0.00 N ATOM 1638 CA GLN A 101 2.013 -3.225 -1.381 1.00 0.00 C ATOM 1639 C GLN A 101 2.786 -3.166 -2.701 1.00 0.00 C ATOM 1640 O GLN A 101 2.454 -3.844 -3.650 1.00 0.00 O ATOM 1641 CB GLN A 101 1.048 -2.042 -1.311 1.00 0.00 C ATOM 1642 CG GLN A 101 0.075 -2.242 -0.147 1.00 0.00 C ATOM 1643 CD GLN A 101 -0.949 -3.318 -0.513 1.00 0.00 C ATOM 1644 OE1 GLN A 101 -1.453 -3.340 -1.617 1.00 0.00 O ATOM 1645 NE2 GLN A 101 -1.282 -4.214 0.374 1.00 0.00 N ATOM 0 H GLN A 101 2.821 -2.382 0.405 1.00 0.00 H new ATOM 0 HA GLN A 101 1.461 -4.164 -1.344 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.604 -1.114 -1.178 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.497 -1.953 -2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.621 -2.535 0.750 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -0.433 -1.305 0.081 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -0.858 -4.195 1.302 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -1.966 -4.934 0.140 1.00 0.00 H new ATOM 1654 N TYR A 102 3.808 -2.361 -2.795 1.00 0.00 N ATOM 1655 CA TYR A 102 4.544 -2.290 -4.079 1.00 0.00 C ATOM 1656 C TYR A 102 5.053 -3.680 -4.449 1.00 0.00 C ATOM 1657 O TYR A 102 5.054 -4.068 -5.600 1.00 0.00 O ATOM 1658 CB TYR A 102 5.727 -1.329 -3.959 1.00 0.00 C ATOM 1659 CG TYR A 102 6.095 -0.825 -5.330 1.00 0.00 C ATOM 1660 CD1 TYR A 102 6.826 -1.631 -6.207 1.00 0.00 C ATOM 1661 CD2 TYR A 102 5.688 0.452 -5.728 1.00 0.00 C ATOM 1662 CE1 TYR A 102 7.153 -1.158 -7.484 1.00 0.00 C ATOM 1663 CE2 TYR A 102 6.009 0.927 -7.002 1.00 0.00 C ATOM 1664 CZ TYR A 102 6.744 0.121 -7.884 1.00 0.00 C ATOM 1665 OH TYR A 102 7.063 0.587 -9.143 1.00 0.00 O ATOM 0 H TYR A 102 4.158 -1.760 -2.049 1.00 0.00 H new ATOM 0 HA TYR A 102 3.870 -1.925 -4.854 1.00 0.00 H new ATOM 0 HB2 TYR A 102 5.468 -0.494 -3.308 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.578 -1.836 -3.504 1.00 0.00 H new ATOM 0 HD1 TYR A 102 7.139 -2.618 -5.900 1.00 0.00 H new ATOM 0 HD2 TYR A 102 5.124 1.073 -5.048 1.00 0.00 H new ATOM 0 HE1 TYR A 102 7.721 -1.779 -8.161 1.00 0.00 H new ATOM 0 HE2 TYR A 102 5.692 1.913 -7.307 1.00 0.00 H new ATOM 0 HH TYR A 102 6.403 0.261 -9.790 1.00 0.00 H new ATOM 1675 N MET A 103 5.518 -4.421 -3.482 1.00 0.00 N ATOM 1676 CA MET A 103 6.064 -5.769 -3.770 1.00 0.00 C ATOM 1677 C MET A 103 5.055 -6.659 -4.507 1.00 0.00 C ATOM 1678 O MET A 103 5.355 -7.230 -5.536 1.00 0.00 O ATOM 1679 CB MET A 103 6.429 -6.452 -2.453 1.00 0.00 C ATOM 1680 CG MET A 103 7.432 -7.581 -2.725 1.00 0.00 C ATOM 1681 SD MET A 103 6.962 -9.049 -1.781 1.00 0.00 S ATOM 1682 CE MET A 103 8.090 -8.751 -0.407 1.00 0.00 C ATOM 0 H MET A 103 5.542 -4.146 -2.500 1.00 0.00 H new ATOM 0 HA MET A 103 6.937 -5.638 -4.409 1.00 0.00 H new ATOM 0 HB2 MET A 103 6.859 -5.727 -1.762 1.00 0.00 H new ATOM 0 HB3 MET A 103 5.534 -6.853 -1.978 1.00 0.00 H new ATOM 0 HG2 MET A 103 7.454 -7.813 -3.790 1.00 0.00 H new ATOM 0 HG3 MET A 103 8.437 -7.263 -2.447 1.00 0.00 H new ATOM 0 HE1 MET A 103 8.036 -9.583 0.295 1.00 0.00 H new ATOM 0 HE2 MET A 103 9.108 -8.662 -0.785 1.00 0.00 H new ATOM 0 HE3 MET A 103 7.809 -7.828 0.101 1.00 0.00 H new ATOM 1692 N LYS A 104 3.888 -6.849 -3.958 1.00 0.00 N ATOM 1693 CA LYS A 104 2.915 -7.780 -4.612 1.00 0.00 C ATOM 1694 C LYS A 104 2.300 -7.196 -5.891 1.00 0.00 C ATOM 1695 O LYS A 104 2.243 -7.851 -6.912 1.00 0.00 O ATOM 1696 CB LYS A 104 1.778 -8.101 -3.641 1.00 0.00 C ATOM 1697 CG LYS A 104 2.338 -8.298 -2.230 1.00 0.00 C ATOM 1698 CD LYS A 104 1.222 -8.768 -1.297 1.00 0.00 C ATOM 1699 CE LYS A 104 1.666 -8.595 0.155 1.00 0.00 C ATOM 1700 NZ LYS A 104 0.807 -9.432 1.040 1.00 0.00 N ATOM 0 H LYS A 104 3.565 -6.409 -3.097 1.00 0.00 H new ATOM 0 HA LYS A 104 3.474 -8.676 -4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 104 1.048 -7.292 -3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.256 -9.002 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.145 -9.031 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.764 -7.364 -1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.313 -8.195 -1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.985 -9.813 -1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.711 -8.885 0.264 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.594 -7.547 0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.109 -9.315 2.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.185 -9.135 0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.897 -10.431 0.767 1.00 0.00 H new ATOM 1714 N TYR A 105 1.760 -6.010 -5.824 1.00 0.00 N ATOM 1715 CA TYR A 105 1.059 -5.442 -7.016 1.00 0.00 C ATOM 1716 C TYR A 105 1.995 -4.759 -8.034 1.00 0.00 C ATOM 1717 O TYR A 105 1.801 -4.900 -9.225 1.00 0.00 O ATOM 1718 CB TYR A 105 0.023 -4.425 -6.522 1.00 0.00 C ATOM 1719 CG TYR A 105 -0.871 -5.082 -5.488 1.00 0.00 C ATOM 1720 CD1 TYR A 105 -2.015 -5.780 -5.888 1.00 0.00 C ATOM 1721 CD2 TYR A 105 -0.543 -5.001 -4.128 1.00 0.00 C ATOM 1722 CE1 TYR A 105 -2.832 -6.395 -4.929 1.00 0.00 C ATOM 1723 CE2 TYR A 105 -1.355 -5.618 -3.169 1.00 0.00 C ATOM 1724 CZ TYR A 105 -2.501 -6.315 -3.570 1.00 0.00 C ATOM 1725 OH TYR A 105 -3.304 -6.925 -2.627 1.00 0.00 O ATOM 0 H TYR A 105 1.772 -5.410 -5.000 1.00 0.00 H new ATOM 0 HA TYR A 105 0.599 -6.277 -7.544 1.00 0.00 H new ATOM 0 HB2 TYR A 105 0.524 -3.559 -6.089 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -0.575 -4.062 -7.358 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.269 -5.845 -6.936 1.00 0.00 H new ATOM 0 HD2 TYR A 105 0.339 -4.461 -3.819 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -3.717 -6.931 -5.238 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -1.098 -5.556 -2.122 1.00 0.00 H new ATOM 0 HH TYR A 105 -2.932 -6.774 -1.733 1.00 0.00 H new ATOM 1735 N LEU A 106 2.955 -3.974 -7.609 1.00 0.00 N ATOM 1736 CA LEU A 106 3.807 -3.250 -8.616 1.00 0.00 C ATOM 1737 C LEU A 106 5.166 -3.913 -8.885 1.00 0.00 C ATOM 1738 O LEU A 106 5.875 -3.491 -9.777 1.00 0.00 O ATOM 1739 CB LEU A 106 4.034 -1.816 -8.137 1.00 0.00 C ATOM 1740 CG LEU A 106 2.775 -0.991 -8.414 1.00 0.00 C ATOM 1741 CD1 LEU A 106 1.609 -1.534 -7.584 1.00 0.00 C ATOM 1742 CD2 LEU A 106 3.032 0.470 -8.039 1.00 0.00 C ATOM 0 H LEU A 106 3.186 -3.802 -6.630 1.00 0.00 H new ATOM 0 HA LEU A 106 3.261 -3.279 -9.559 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.263 -1.807 -7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.891 -1.379 -8.650 1.00 0.00 H new ATOM 0 HG LEU A 106 2.525 -1.058 -9.473 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.714 -0.944 -7.784 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.425 -2.574 -7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.856 -1.471 -6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.136 1.059 -8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.284 0.535 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.859 0.858 -8.633 1.00 0.00 H new ATOM 1754 N TYR A 107 5.564 -4.926 -8.169 1.00 0.00 N ATOM 1755 CA TYR A 107 6.895 -5.522 -8.495 1.00 0.00 C ATOM 1756 C TYR A 107 6.876 -6.081 -9.922 1.00 0.00 C ATOM 1757 O TYR A 107 7.859 -5.994 -10.631 1.00 0.00 O ATOM 1758 CB TYR A 107 7.283 -6.629 -7.510 1.00 0.00 C ATOM 1759 CG TYR A 107 8.733 -6.984 -7.729 1.00 0.00 C ATOM 1760 CD1 TYR A 107 9.737 -6.266 -7.067 1.00 0.00 C ATOM 1761 CD2 TYR A 107 9.077 -8.026 -8.600 1.00 0.00 C ATOM 1762 CE1 TYR A 107 11.083 -6.590 -7.276 1.00 0.00 C ATOM 1763 CE2 TYR A 107 10.424 -8.350 -8.807 1.00 0.00 C ATOM 1764 CZ TYR A 107 11.426 -7.632 -8.145 1.00 0.00 C ATOM 1765 OH TYR A 107 12.753 -7.949 -8.351 1.00 0.00 O ATOM 0 H TYR A 107 5.051 -5.357 -7.400 1.00 0.00 H new ATOM 0 HA TYR A 107 7.641 -4.731 -8.415 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.126 -6.294 -6.485 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.653 -7.506 -7.659 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.473 -5.463 -6.395 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.304 -8.579 -9.112 1.00 0.00 H new ATOM 0 HE1 TYR A 107 11.857 -6.035 -6.766 1.00 0.00 H new ATOM 0 HE2 TYR A 107 10.689 -9.154 -9.478 1.00 0.00 H new ATOM 0 HH TYR A 107 12.984 -7.797 -9.291 1.00 0.00 H new ATOM 1775 N PRO A 108 5.774 -6.651 -10.352 1.00 0.00 N ATOM 1776 CA PRO A 108 5.656 -7.221 -11.728 1.00 0.00 C ATOM 1777 C PRO A 108 5.741 -6.136 -12.812 1.00 0.00 C ATOM 1778 O PRO A 108 6.581 -6.178 -13.687 1.00 0.00 O ATOM 1779 CB PRO A 108 4.268 -7.885 -11.736 1.00 0.00 C ATOM 1780 CG PRO A 108 3.867 -8.000 -10.306 1.00 0.00 C ATOM 1781 CD PRO A 108 4.520 -6.822 -9.600 1.00 0.00 C ATOM 0 HA PRO A 108 6.467 -7.914 -11.950 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.551 -7.286 -12.297 1.00 0.00 H new ATOM 0 HB3 PRO A 108 4.306 -8.865 -12.212 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.783 -7.968 -10.200 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.201 -8.946 -9.880 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.897 -5.928 -9.642 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.705 -7.033 -8.547 1.00 0.00 H new ATOM 1789 N TYR A 109 4.877 -5.164 -12.741 1.00 0.00 N ATOM 1790 CA TYR A 109 4.879 -4.058 -13.739 1.00 0.00 C ATOM 1791 C TYR A 109 6.242 -3.361 -13.694 1.00 0.00 C ATOM 1792 O TYR A 109 6.771 -2.923 -14.694 1.00 0.00 O ATOM 1793 CB TYR A 109 3.777 -3.064 -13.348 1.00 0.00 C ATOM 1794 CG TYR A 109 3.290 -2.309 -14.559 1.00 0.00 C ATOM 1795 CD1 TYR A 109 3.894 -1.106 -14.929 1.00 0.00 C ATOM 1796 CD2 TYR A 109 2.219 -2.816 -15.306 1.00 0.00 C ATOM 1797 CE1 TYR A 109 3.428 -0.405 -16.051 1.00 0.00 C ATOM 1798 CE2 TYR A 109 1.751 -2.119 -16.425 1.00 0.00 C ATOM 1799 CZ TYR A 109 2.356 -0.914 -16.799 1.00 0.00 C ATOM 1800 OH TYR A 109 1.895 -0.223 -17.901 1.00 0.00 O ATOM 0 H TYR A 109 4.157 -5.087 -12.022 1.00 0.00 H new ATOM 0 HA TYR A 109 4.699 -4.438 -14.745 1.00 0.00 H new ATOM 0 HB2 TYR A 109 2.946 -3.597 -12.886 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.158 -2.364 -12.605 1.00 0.00 H new ATOM 0 HD1 TYR A 109 4.719 -0.716 -14.352 1.00 0.00 H new ATOM 0 HD2 TYR A 109 1.754 -3.747 -15.017 1.00 0.00 H new ATOM 0 HE1 TYR A 109 3.894 0.526 -16.339 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.924 -2.510 -16.999 1.00 0.00 H new ATOM 0 HH TYR A 109 1.811 -0.837 -18.660 1.00 0.00 H new ATOM 1810 N GLU A 110 6.803 -3.262 -12.523 1.00 0.00 N ATOM 1811 CA GLU A 110 8.138 -2.597 -12.360 1.00 0.00 C ATOM 1812 C GLU A 110 9.243 -3.478 -12.938 1.00 0.00 C ATOM 1813 O GLU A 110 10.008 -3.057 -13.784 1.00 0.00 O ATOM 1814 CB GLU A 110 8.411 -2.390 -10.866 1.00 0.00 C ATOM 1815 CG GLU A 110 9.739 -1.649 -10.674 1.00 0.00 C ATOM 1816 CD GLU A 110 10.097 -1.627 -9.188 1.00 0.00 C ATOM 1817 OE1 GLU A 110 9.827 -2.612 -8.521 1.00 0.00 O ATOM 1818 OE2 GLU A 110 10.637 -0.627 -8.743 1.00 0.00 O ATOM 0 H GLU A 110 6.394 -3.615 -11.658 1.00 0.00 H new ATOM 0 HA GLU A 110 8.125 -1.642 -12.886 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.599 -1.820 -10.415 1.00 0.00 H new ATOM 0 HB3 GLU A 110 8.446 -3.353 -10.357 1.00 0.00 H new ATOM 0 HG2 GLU A 110 10.528 -2.141 -11.242 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.659 -0.631 -11.055 1.00 0.00 H new ATOM 1825 N CYS A 111 9.347 -4.691 -12.475 1.00 0.00 N ATOM 1826 CA CYS A 111 10.419 -5.586 -12.981 1.00 0.00 C ATOM 1827 C CYS A 111 10.130 -5.986 -14.429 1.00 0.00 C ATOM 1828 O CYS A 111 11.020 -6.054 -15.254 1.00 0.00 O ATOM 1829 CB CYS A 111 10.496 -6.837 -12.098 1.00 0.00 C ATOM 1830 SG CYS A 111 12.232 -7.273 -11.821 1.00 0.00 S ATOM 0 H CYS A 111 8.736 -5.100 -11.768 1.00 0.00 H new ATOM 0 HA CYS A 111 11.373 -5.060 -12.948 1.00 0.00 H new ATOM 0 HB2 CYS A 111 9.999 -6.654 -11.145 1.00 0.00 H new ATOM 0 HB3 CYS A 111 9.973 -7.666 -12.576 1.00 0.00 H new ATOM 0 HG CYS A 111 12.718 -6.534 -10.868 1.00 0.00 H new ATOM 1836 N GLU A 112 8.898 -6.281 -14.737 1.00 0.00 N ATOM 1837 CA GLU A 112 8.558 -6.712 -16.120 1.00 0.00 C ATOM 1838 C GLU A 112 8.765 -5.563 -17.115 1.00 0.00 C ATOM 1839 O GLU A 112 9.382 -5.732 -18.148 1.00 0.00 O ATOM 1840 CB GLU A 112 7.085 -7.138 -16.150 1.00 0.00 C ATOM 1841 CG GLU A 112 6.753 -7.739 -17.520 1.00 0.00 C ATOM 1842 CD GLU A 112 7.399 -9.120 -17.643 1.00 0.00 C ATOM 1843 OE1 GLU A 112 7.684 -9.712 -16.614 1.00 0.00 O ATOM 1844 OE2 GLU A 112 7.595 -9.564 -18.762 1.00 0.00 O ATOM 0 H GLU A 112 8.111 -6.242 -14.089 1.00 0.00 H new ATOM 0 HA GLU A 112 9.208 -7.540 -16.404 1.00 0.00 H new ATOM 0 HB2 GLU A 112 6.891 -7.868 -15.364 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.443 -6.279 -15.953 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.673 -7.819 -17.641 1.00 0.00 H new ATOM 0 HG3 GLU A 112 7.115 -7.085 -18.313 1.00 0.00 H new ATOM 1851 N LYS A 113 8.240 -4.407 -16.827 1.00 0.00 N ATOM 1852 CA LYS A 113 8.389 -3.264 -17.776 1.00 0.00 C ATOM 1853 C LYS A 113 9.807 -2.682 -17.737 1.00 0.00 C ATOM 1854 O LYS A 113 10.273 -2.129 -18.714 1.00 0.00 O ATOM 1855 CB LYS A 113 7.399 -2.158 -17.400 1.00 0.00 C ATOM 1856 CG LYS A 113 5.974 -2.721 -17.352 1.00 0.00 C ATOM 1857 CD LYS A 113 5.516 -3.100 -18.762 1.00 0.00 C ATOM 1858 CE LYS A 113 3.994 -3.259 -18.769 1.00 0.00 C ATOM 1859 NZ LYS A 113 3.592 -4.217 -17.700 1.00 0.00 N ATOM 0 H LYS A 113 7.714 -4.201 -15.978 1.00 0.00 H new ATOM 0 HA LYS A 113 8.191 -3.637 -18.781 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.664 -1.736 -16.431 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.454 -1.347 -18.127 1.00 0.00 H new ATOM 0 HG2 LYS A 113 5.941 -3.595 -16.702 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.296 -1.982 -16.926 1.00 0.00 H new ATOM 0 HD2 LYS A 113 5.817 -2.332 -19.474 1.00 0.00 H new ATOM 0 HD3 LYS A 113 5.992 -4.029 -19.075 1.00 0.00 H new ATOM 0 HE2 LYS A 113 3.516 -2.293 -18.606 1.00 0.00 H new ATOM 0 HE3 LYS A 113 3.659 -3.620 -19.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 2.890 -4.885 -18.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 4.428 -4.742 -17.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 3.177 -3.694 -16.903 1.00 0.00 H new ATOM 1873 N LYS A 114 10.479 -2.747 -16.613 1.00 0.00 N ATOM 1874 CA LYS A 114 11.839 -2.134 -16.520 1.00 0.00 C ATOM 1875 C LYS A 114 12.900 -3.145 -16.039 1.00 0.00 C ATOM 1876 O LYS A 114 14.063 -3.019 -16.363 1.00 0.00 O ATOM 1877 CB LYS A 114 11.751 -0.971 -15.537 1.00 0.00 C ATOM 1878 CG LYS A 114 13.012 -0.112 -15.626 1.00 0.00 C ATOM 1879 CD LYS A 114 12.949 0.804 -16.854 1.00 0.00 C ATOM 1880 CE LYS A 114 13.963 1.938 -16.692 1.00 0.00 C ATOM 1881 NZ LYS A 114 13.900 2.833 -17.881 1.00 0.00 N ATOM 0 H LYS A 114 10.146 -3.196 -15.760 1.00 0.00 H new ATOM 0 HA LYS A 114 12.149 -1.798 -17.510 1.00 0.00 H new ATOM 0 HB2 LYS A 114 10.872 -0.365 -15.757 1.00 0.00 H new ATOM 0 HB3 LYS A 114 11.631 -1.351 -14.522 1.00 0.00 H new ATOM 0 HG2 LYS A 114 13.116 0.488 -14.722 1.00 0.00 H new ATOM 0 HG3 LYS A 114 13.892 -0.752 -15.687 1.00 0.00 H new ATOM 0 HD2 LYS A 114 13.165 0.235 -17.758 1.00 0.00 H new ATOM 0 HD3 LYS A 114 11.945 1.212 -16.966 1.00 0.00 H new ATOM 0 HE2 LYS A 114 13.750 2.504 -15.785 1.00 0.00 H new ATOM 0 HE3 LYS A 114 14.968 1.529 -16.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 14.589 3.604 -17.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 14.123 2.288 -18.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.943 3.233 -17.964 1.00 0.00 H new ATOM 1895 N ASN A 115 12.526 -4.139 -15.279 1.00 0.00 N ATOM 1896 CA ASN A 115 13.547 -5.132 -14.805 1.00 0.00 C ATOM 1897 C ASN A 115 14.668 -4.411 -14.039 1.00 0.00 C ATOM 1898 O ASN A 115 15.838 -4.663 -14.252 1.00 0.00 O ATOM 1899 CB ASN A 115 14.146 -5.853 -16.013 1.00 0.00 C ATOM 1900 CG ASN A 115 14.719 -7.203 -15.572 1.00 0.00 C ATOM 1901 OD1 ASN A 115 14.481 -7.644 -14.465 1.00 0.00 O ATOM 1902 ND2 ASN A 115 15.470 -7.881 -16.396 1.00 0.00 N ATOM 0 H ASN A 115 11.570 -4.310 -14.966 1.00 0.00 H new ATOM 0 HA ASN A 115 13.066 -5.851 -14.142 1.00 0.00 H new ATOM 0 HB2 ASN A 115 13.382 -6.002 -16.776 1.00 0.00 H new ATOM 0 HB3 ASN A 115 14.930 -5.243 -16.462 1.00 0.00 H new ATOM 0 HD21 ASN A 115 15.857 -8.781 -16.111 1.00 0.00 H new ATOM 0 HD22 ASN A 115 15.670 -7.511 -17.325 1.00 0.00 H new ATOM 1909 N LEU A 116 14.321 -3.511 -13.159 1.00 0.00 N ATOM 1910 CA LEU A 116 15.359 -2.760 -12.384 1.00 0.00 C ATOM 1911 C LEU A 116 16.107 -3.676 -11.422 1.00 0.00 C ATOM 1912 O LEU A 116 17.270 -3.468 -11.138 1.00 0.00 O ATOM 1913 CB LEU A 116 14.679 -1.661 -11.578 1.00 0.00 C ATOM 1914 CG LEU A 116 14.074 -0.666 -12.554 1.00 0.00 C ATOM 1915 CD1 LEU A 116 13.134 0.285 -11.811 1.00 0.00 C ATOM 1916 CD2 LEU A 116 15.194 0.141 -13.238 1.00 0.00 C ATOM 0 H LEU A 116 13.357 -3.260 -12.940 1.00 0.00 H new ATOM 0 HA LEU A 116 16.074 -2.340 -13.092 1.00 0.00 H new ATOM 0 HB2 LEU A 116 13.906 -2.083 -10.936 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.399 -1.166 -10.927 1.00 0.00 H new ATOM 0 HG LEU A 116 13.509 -1.209 -13.311 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.704 0.996 -12.516 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.335 -0.288 -11.340 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.693 0.825 -11.047 1.00 0.00 H new ATOM 0 HD21 LEU A 116 14.755 0.853 -13.937 1.00 0.00 H new ATOM 0 HD22 LEU A 116 15.767 0.680 -12.483 1.00 0.00 H new ATOM 0 HD23 LEU A 116 15.854 -0.538 -13.778 1.00 0.00 H new ATOM 1928 N SER A 117 15.453 -4.662 -10.885 1.00 0.00 N ATOM 1929 CA SER A 117 16.161 -5.541 -9.907 1.00 0.00 C ATOM 1930 C SER A 117 15.543 -6.940 -9.851 1.00 0.00 C ATOM 1931 O SER A 117 14.778 -7.337 -10.710 1.00 0.00 O ATOM 1932 CB SER A 117 16.078 -4.907 -8.519 1.00 0.00 C ATOM 1933 OG SER A 117 16.570 -5.826 -7.553 1.00 0.00 O ATOM 0 H SER A 117 14.479 -4.899 -11.072 1.00 0.00 H new ATOM 0 HA SER A 117 17.197 -5.640 -10.229 1.00 0.00 H new ATOM 0 HB2 SER A 117 16.661 -3.986 -8.492 1.00 0.00 H new ATOM 0 HB3 SER A 117 15.047 -4.638 -8.290 1.00 0.00 H new ATOM 0 HG SER A 117 17.539 -5.927 -7.661 1.00 0.00 H new ATOM 1939 N THR A 118 15.898 -7.692 -8.840 1.00 0.00 N ATOM 1940 CA THR A 118 15.372 -9.086 -8.699 1.00 0.00 C ATOM 1941 C THR A 118 14.702 -9.251 -7.330 1.00 0.00 C ATOM 1942 O THR A 118 15.062 -8.587 -6.378 1.00 0.00 O ATOM 1943 CB THR A 118 16.546 -10.067 -8.797 1.00 0.00 C ATOM 1944 OG1 THR A 118 17.463 -9.804 -7.746 1.00 0.00 O ATOM 1945 CG2 THR A 118 17.249 -9.897 -10.143 1.00 0.00 C ATOM 0 H THR A 118 16.535 -7.398 -8.100 1.00 0.00 H new ATOM 0 HA THR A 118 14.644 -9.283 -9.486 1.00 0.00 H new ATOM 0 HB THR A 118 16.175 -11.088 -8.714 1.00 0.00 H new ATOM 0 HG1 THR A 118 18.215 -10.430 -7.803 1.00 0.00 H new ATOM 0 HG21 THR A 118 18.083 -10.596 -10.209 1.00 0.00 H new ATOM 0 HG22 THR A 118 16.544 -10.097 -10.950 1.00 0.00 H new ATOM 0 HG23 THR A 118 17.623 -8.877 -10.232 1.00 0.00 H new ATOM 1953 N PRO A 119 13.739 -10.137 -7.219 1.00 0.00 N ATOM 1954 CA PRO A 119 13.030 -10.383 -5.930 1.00 0.00 C ATOM 1955 C PRO A 119 14.000 -10.723 -4.785 1.00 0.00 C ATOM 1956 O PRO A 119 13.814 -10.294 -3.665 1.00 0.00 O ATOM 1957 CB PRO A 119 12.092 -11.570 -6.225 1.00 0.00 C ATOM 1958 CG PRO A 119 12.525 -12.125 -7.545 1.00 0.00 C ATOM 1959 CD PRO A 119 13.211 -10.989 -8.296 1.00 0.00 C ATOM 0 HA PRO A 119 12.495 -9.494 -5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.163 -12.326 -5.443 1.00 0.00 H new ATOM 0 HB3 PRO A 119 11.052 -11.245 -6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 119 13.207 -12.964 -7.407 1.00 0.00 H new ATOM 0 HG3 PRO A 119 11.669 -12.499 -8.107 1.00 0.00 H new ATOM 0 HD2 PRO A 119 14.007 -11.358 -8.943 1.00 0.00 H new ATOM 0 HD3 PRO A 119 12.510 -10.446 -8.931 1.00 0.00 H new ATOM 1967 N ALA A 120 15.034 -11.482 -5.051 1.00 0.00 N ATOM 1968 CA ALA A 120 16.001 -11.830 -3.963 1.00 0.00 C ATOM 1969 C ALA A 120 16.676 -10.563 -3.462 1.00 0.00 C ATOM 1970 O ALA A 120 16.898 -10.397 -2.279 1.00 0.00 O ATOM 1971 CB ALA A 120 17.057 -12.798 -4.498 1.00 0.00 C ATOM 0 H ALA A 120 15.250 -11.874 -5.968 1.00 0.00 H new ATOM 0 HA ALA A 120 15.464 -12.305 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 120 17.758 -13.048 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.571 -13.707 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 120 17.595 -12.330 -5.322 1.00 0.00 H new ATOM 1977 N GLU A 121 16.973 -9.646 -4.335 1.00 0.00 N ATOM 1978 CA GLU A 121 17.592 -8.389 -3.859 1.00 0.00 C ATOM 1979 C GLU A 121 16.550 -7.683 -3.003 1.00 0.00 C ATOM 1980 O GLU A 121 16.838 -7.163 -1.944 1.00 0.00 O ATOM 1981 CB GLU A 121 17.986 -7.520 -5.053 1.00 0.00 C ATOM 1982 CG GLU A 121 19.166 -8.167 -5.777 1.00 0.00 C ATOM 1983 CD GLU A 121 19.550 -7.319 -6.990 1.00 0.00 C ATOM 1984 OE1 GLU A 121 18.764 -6.465 -7.363 1.00 0.00 O ATOM 1985 OE2 GLU A 121 20.625 -7.535 -7.524 1.00 0.00 O ATOM 0 H GLU A 121 16.816 -9.712 -5.341 1.00 0.00 H new ATOM 0 HA GLU A 121 18.495 -8.585 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 121 17.141 -7.411 -5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 121 18.255 -6.519 -4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 121 20.016 -8.258 -5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 121 18.902 -9.176 -6.094 1.00 0.00 H new ATOM 1992 N LEU A 122 15.324 -7.688 -3.454 1.00 0.00 N ATOM 1993 CA LEU A 122 14.223 -7.052 -2.685 1.00 0.00 C ATOM 1994 C LEU A 122 13.968 -7.837 -1.395 1.00 0.00 C ATOM 1995 O LEU A 122 13.971 -7.283 -0.315 1.00 0.00 O ATOM 1996 CB LEU A 122 12.979 -7.073 -3.574 1.00 0.00 C ATOM 1997 CG LEU A 122 11.731 -6.702 -2.774 1.00 0.00 C ATOM 1998 CD1 LEU A 122 11.977 -5.420 -1.985 1.00 0.00 C ATOM 1999 CD2 LEU A 122 10.558 -6.488 -3.741 1.00 0.00 C ATOM 0 H LEU A 122 15.038 -8.113 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 122 14.479 -6.029 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 122 13.106 -6.375 -4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 122 12.855 -8.064 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 122 11.497 -7.508 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.082 -5.164 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 122 12.811 -5.569 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 122 12.215 -4.609 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 122 9.664 -6.223 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 122 10.801 -5.683 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 122 10.375 -7.406 -4.300 1.00 0.00 H new ATOM 2011 N GLN A 123 13.783 -9.129 -1.488 1.00 0.00 N ATOM 2012 CA GLN A 123 13.572 -9.930 -0.252 1.00 0.00 C ATOM 2013 C GLN A 123 14.756 -9.694 0.679 1.00 0.00 C ATOM 2014 O GLN A 123 14.599 -9.458 1.860 1.00 0.00 O ATOM 2015 CB GLN A 123 13.492 -11.415 -0.614 1.00 0.00 C ATOM 2016 CG GLN A 123 12.211 -11.683 -1.403 1.00 0.00 C ATOM 2017 CD GLN A 123 11.020 -11.708 -0.444 1.00 0.00 C ATOM 2018 OE1 GLN A 123 10.102 -10.789 -0.538 1.00 0.00 O flip ATOM 2019 NE2 GLN A 123 10.930 -12.573 0.406 1.00 0.00 N flip ATOM 0 H GLN A 123 13.769 -9.658 -2.360 1.00 0.00 H new ATOM 0 HA GLN A 123 12.644 -9.633 0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 123 14.362 -11.703 -1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 123 13.507 -12.022 0.292 1.00 0.00 H new ATOM 0 HG2 GLN A 123 12.068 -10.910 -2.158 1.00 0.00 H new ATOM 0 HG3 GLN A 123 12.288 -12.634 -1.930 1.00 0.00 H new ATOM 0 HE21 GLN A 123 11.649 -13.293 0.479 1.00 0.00 H new ATOM 0 HE22 GLN A 123 10.135 -12.579 1.046 1.00 0.00 H new ATOM 2028 N ALA A 124 15.949 -9.741 0.146 1.00 0.00 N ATOM 2029 CA ALA A 124 17.150 -9.500 0.998 1.00 0.00 C ATOM 2030 C ALA A 124 17.091 -8.076 1.561 1.00 0.00 C ATOM 2031 O ALA A 124 17.441 -7.829 2.698 1.00 0.00 O ATOM 2032 CB ALA A 124 18.417 -9.662 0.155 1.00 0.00 C ATOM 0 H ALA A 124 16.143 -9.935 -0.837 1.00 0.00 H new ATOM 0 HA ALA A 124 17.167 -10.219 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 124 19.294 -9.486 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 124 18.457 -10.673 -0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 124 18.404 -8.943 -0.664 1.00 0.00 H new ATOM 2038 N ALA A 125 16.639 -7.142 0.769 1.00 0.00 N ATOM 2039 CA ALA A 125 16.542 -5.730 1.241 1.00 0.00 C ATOM 2040 C ALA A 125 15.472 -5.658 2.311 1.00 0.00 C ATOM 2041 O ALA A 125 15.587 -4.950 3.291 1.00 0.00 O ATOM 2042 CB ALA A 125 16.148 -4.830 0.072 1.00 0.00 C ATOM 0 H ALA A 125 16.331 -7.297 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 125 17.501 -5.400 1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 125 16.077 -3.798 0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 125 16.902 -4.900 -0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 125 15.183 -5.148 -0.323 1.00 0.00 H new ATOM 2048 N ILE A 126 14.441 -6.417 2.131 1.00 0.00 N ATOM 2049 CA ILE A 126 13.357 -6.448 3.124 1.00 0.00 C ATOM 2050 C ILE A 126 13.925 -7.005 4.427 1.00 0.00 C ATOM 2051 O ILE A 126 13.766 -6.435 5.482 1.00 0.00 O ATOM 2052 CB ILE A 126 12.249 -7.331 2.564 1.00 0.00 C ATOM 2053 CG1 ILE A 126 11.338 -6.467 1.694 1.00 0.00 C ATOM 2054 CG2 ILE A 126 11.438 -7.964 3.694 1.00 0.00 C ATOM 2055 CD1 ILE A 126 10.492 -7.357 0.804 1.00 0.00 C ATOM 0 H ILE A 126 14.304 -7.026 1.324 1.00 0.00 H new ATOM 0 HA ILE A 126 12.948 -5.458 3.327 1.00 0.00 H new ATOM 0 HB ILE A 126 12.689 -8.135 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 126 10.697 -5.849 2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 126 11.936 -5.789 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 126 10.652 -8.590 3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 126 12.094 -8.574 4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 126 10.988 -7.180 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 126 9.842 -6.739 0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 126 11.141 -7.956 0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 126 9.883 -8.017 1.422 1.00 0.00 H new ATOM 2067 N ASP A 127 14.622 -8.100 4.357 1.00 0.00 N ATOM 2068 CA ASP A 127 15.225 -8.657 5.595 1.00 0.00 C ATOM 2069 C ASP A 127 16.222 -7.634 6.145 1.00 0.00 C ATOM 2070 O ASP A 127 16.356 -7.454 7.340 1.00 0.00 O ATOM 2071 CB ASP A 127 15.954 -9.964 5.271 1.00 0.00 C ATOM 2072 CG ASP A 127 16.432 -10.618 6.569 1.00 0.00 C ATOM 2073 OD1 ASP A 127 16.072 -10.124 7.626 1.00 0.00 O ATOM 2074 OD2 ASP A 127 17.153 -11.598 6.485 1.00 0.00 O ATOM 0 H ASP A 127 14.800 -8.630 3.504 1.00 0.00 H new ATOM 0 HA ASP A 127 14.449 -8.861 6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 127 15.289 -10.640 4.734 1.00 0.00 H new ATOM 0 HB3 ASP A 127 16.803 -9.766 4.617 1.00 0.00 H new ATOM 2079 N GLY A 128 16.928 -6.970 5.269 1.00 0.00 N ATOM 2080 CA GLY A 128 17.931 -5.955 5.707 1.00 0.00 C ATOM 2081 C GLY A 128 17.249 -4.820 6.478 1.00 0.00 C ATOM 2082 O GLY A 128 17.826 -4.244 7.378 1.00 0.00 O ATOM 0 H GLY A 128 16.852 -7.089 4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 128 18.684 -6.428 6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 128 18.450 -5.551 4.838 1.00 0.00 H new ATOM 2086 N ASN A 129 16.035 -4.476 6.129 1.00 0.00 N ATOM 2087 CA ASN A 129 15.364 -3.355 6.859 1.00 0.00 C ATOM 2088 C ASN A 129 14.539 -3.899 8.035 1.00 0.00 C ATOM 2089 O ASN A 129 14.410 -3.249 9.054 1.00 0.00 O ATOM 2090 CB ASN A 129 14.482 -2.541 5.898 1.00 0.00 C ATOM 2091 CG ASN A 129 13.173 -3.268 5.588 1.00 0.00 C ATOM 2092 OD1 ASN A 129 12.970 -4.386 5.993 1.00 0.00 O ATOM 2093 ND2 ASN A 129 12.266 -2.664 4.871 1.00 0.00 N ATOM 0 H ASN A 129 15.488 -4.911 5.386 1.00 0.00 H new ATOM 0 HA ASN A 129 16.130 -2.692 7.261 1.00 0.00 H new ATOM 0 HB2 ASN A 129 14.264 -1.568 6.338 1.00 0.00 H new ATOM 0 HB3 ASN A 129 15.025 -2.357 4.971 1.00 0.00 H new ATOM 0 HD21 ASN A 129 11.389 -3.137 4.655 1.00 0.00 H new ATOM 0 HD22 ASN A 129 12.434 -1.719 4.527 1.00 0.00 H new ATOM 2100 N ARG A 130 13.995 -5.081 7.927 1.00 0.00 N ATOM 2101 CA ARG A 130 13.209 -5.635 9.065 1.00 0.00 C ATOM 2102 C ARG A 130 14.131 -5.844 10.265 1.00 0.00 C ATOM 2103 O ARG A 130 15.288 -6.190 10.121 1.00 0.00 O ATOM 2104 CB ARG A 130 12.583 -6.964 8.652 1.00 0.00 C ATOM 2105 CG ARG A 130 11.478 -6.695 7.635 1.00 0.00 C ATOM 2106 CD ARG A 130 10.803 -8.008 7.253 1.00 0.00 C ATOM 2107 NE ARG A 130 11.817 -8.948 6.700 1.00 0.00 N ATOM 2108 CZ ARG A 130 11.535 -10.217 6.585 1.00 0.00 C ATOM 2109 NH1 ARG A 130 10.369 -10.662 6.965 1.00 0.00 N ATOM 2110 NH2 ARG A 130 12.417 -11.041 6.089 1.00 0.00 N ATOM 0 H ARG A 130 14.060 -5.683 7.106 1.00 0.00 H new ATOM 0 HA ARG A 130 12.418 -4.937 9.338 1.00 0.00 H new ATOM 0 HB2 ARG A 130 13.340 -7.620 8.222 1.00 0.00 H new ATOM 0 HB3 ARG A 130 12.176 -7.476 9.524 1.00 0.00 H new ATOM 0 HG2 ARG A 130 10.745 -6.006 8.054 1.00 0.00 H new ATOM 0 HG3 ARG A 130 11.895 -6.217 6.748 1.00 0.00 H new ATOM 0 HD2 ARG A 130 10.322 -8.449 8.126 1.00 0.00 H new ATOM 0 HD3 ARG A 130 10.021 -7.826 6.516 1.00 0.00 H new ATOM 0 HE ARG A 130 12.731 -8.600 6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 130 9.679 -10.018 7.352 1.00 0.00 H new ATOM 0 HH12 ARG A 130 10.148 -11.654 6.875 1.00 0.00 H new ATOM 0 HH21 ARG A 130 13.328 -10.694 5.791 1.00 0.00 H new ATOM 0 HH22 ARG A 130 12.195 -12.033 6.000 1.00 0.00 H new