USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 694 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 Single : A 22 MET CE :methyl -141:sc= -5.16! (180deg=-9.35!) USER MOD Single : A 24 LYS NZ :NH3+ 144:sc= -1.27 (180deg=-3.2!) USER MOD Single : A 26 ASN : amide:sc= -0.542 K(o=-0.54,f=-6.6!) USER MOD Single : A 27 GLN : amide:sc= -3.56! C(o=-3.6!,f=-14!) USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0172) USER MOD Single : A 33 GLN : amide:sc= -3.57! K(o=-3.6!,f=-2.8) USER MOD Single : A 36 HIS : no HD1:sc= -5.52! K(o=-5.5!,f=-2.7) USER MOD Single : A 46 HIS : no HE2:sc= -6.47! C(o=-6.5!,f=-13!) USER MOD Single : A 50 LYS NZ :NH3+ -154:sc=-0.00823 (180deg=-0.384) USER MOD Single : A 52 GLN : amide:sc= -17.8! C(o=-18!,f=-18!) USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= -0.0978 (180deg=-0.362) USER MOD Single : A 61 LYS NZ :NH3+ 149:sc= -0.533 (180deg=-2.98!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -157:sc= -0.0477 (180deg=-0.884) USER MOD Single : A 80 ASN : amide:sc= -0.243 K(o=-0.24,f=-2.3!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 171:sc= -3.7! USER MOD Single : A 93 LYS NZ :NH3+ -148:sc= -0.0484 (180deg=-0.567) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 5.042 16.400 3.537 1.00 0.00 N ATOM 2 CA GLY A 17 5.890 15.191 3.734 1.00 0.00 C ATOM 3 C GLY A 17 5.043 13.933 3.542 1.00 0.00 C ATOM 4 O GLY A 17 5.551 12.827 3.542 1.00 0.00 O ATOM 0 HA2 GLY A 17 6.718 15.196 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.326 15.199 4.733 1.00 0.00 H new ATOM 10 N GLU A 18 3.757 14.084 3.375 1.00 0.00 N ATOM 11 CA GLU A 18 2.889 12.889 3.180 1.00 0.00 C ATOM 12 C GLU A 18 2.297 12.886 1.772 1.00 0.00 C ATOM 13 O GLU A 18 1.707 13.852 1.329 1.00 0.00 O ATOM 14 CB GLU A 18 1.787 13.014 4.226 1.00 0.00 C ATOM 15 CG GLU A 18 2.407 13.001 5.624 1.00 0.00 C ATOM 16 CD GLU A 18 1.685 14.011 6.517 1.00 0.00 C ATOM 17 OE1 GLU A 18 1.055 14.907 5.978 1.00 0.00 O ATOM 18 OE2 GLU A 18 1.776 13.873 7.725 1.00 0.00 O ATOM 0 H GLU A 18 3.271 14.981 3.365 1.00 0.00 H new ATOM 0 HA GLU A 18 3.446 11.958 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.229 13.937 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.078 12.192 4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.335 12.003 6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.467 13.246 5.564 1.00 0.00 H new ATOM 25 N GLU A 19 2.463 11.807 1.063 1.00 0.00 N ATOM 26 CA GLU A 19 1.929 11.725 -0.318 1.00 0.00 C ATOM 27 C GLU A 19 0.588 10.983 -0.348 1.00 0.00 C ATOM 28 O GLU A 19 -0.047 10.877 -1.378 1.00 0.00 O ATOM 29 CB GLU A 19 2.985 10.948 -1.105 1.00 0.00 C ATOM 30 CG GLU A 19 3.894 11.931 -1.846 1.00 0.00 C ATOM 31 CD GLU A 19 3.144 12.516 -3.047 1.00 0.00 C ATOM 32 OE1 GLU A 19 1.955 12.264 -3.157 1.00 0.00 O ATOM 33 OE2 GLU A 19 3.772 13.207 -3.833 1.00 0.00 O ATOM 0 H GLU A 19 2.951 10.972 1.386 1.00 0.00 H new ATOM 0 HA GLU A 19 1.743 12.714 -0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.575 10.329 -0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.503 10.275 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.206 12.731 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.799 11.424 -2.181 1.00 0.00 H new ATOM 40 N PHE A 20 0.162 10.451 0.763 1.00 0.00 N ATOM 41 CA PHE A 20 -1.122 9.699 0.782 1.00 0.00 C ATOM 42 C PHE A 20 -2.081 10.287 1.828 1.00 0.00 C ATOM 43 O PHE A 20 -1.716 11.157 2.592 1.00 0.00 O ATOM 44 CB PHE A 20 -0.690 8.275 1.124 1.00 0.00 C ATOM 45 CG PHE A 20 0.287 7.814 0.061 1.00 0.00 C ATOM 46 CD1 PHE A 20 1.666 8.051 0.212 1.00 0.00 C ATOM 47 CD2 PHE A 20 -0.188 7.171 -1.090 1.00 0.00 C ATOM 48 CE1 PHE A 20 2.559 7.640 -0.788 1.00 0.00 C ATOM 49 CE2 PHE A 20 0.708 6.766 -2.087 1.00 0.00 C ATOM 50 CZ PHE A 20 2.080 7.001 -1.936 1.00 0.00 C ATOM 0 H PHE A 20 0.648 10.505 1.658 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.672 9.746 -0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.224 8.244 2.109 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.555 7.613 1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.036 8.548 1.096 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.246 6.988 -1.208 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.618 7.817 -0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.340 6.272 -2.974 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.769 6.689 -2.707 1.00 0.00 H new ATOM 60 N ARG A 21 -3.314 9.843 1.847 1.00 0.00 N ATOM 61 CA ARG A 21 -4.297 10.410 2.825 1.00 0.00 C ATOM 62 C ARG A 21 -4.255 9.664 4.161 1.00 0.00 C ATOM 63 O ARG A 21 -4.132 10.263 5.210 1.00 0.00 O ATOM 64 CB ARG A 21 -5.665 10.225 2.170 1.00 0.00 C ATOM 65 CG ARG A 21 -5.756 11.097 0.920 1.00 0.00 C ATOM 66 CD ARG A 21 -5.123 10.349 -0.252 1.00 0.00 C ATOM 67 NE ARG A 21 -5.871 10.811 -1.457 1.00 0.00 N ATOM 68 CZ ARG A 21 -5.281 11.562 -2.350 1.00 0.00 C ATOM 69 NH1 ARG A 21 -4.323 12.374 -1.996 1.00 0.00 N ATOM 70 NH2 ARG A 21 -5.654 11.502 -3.600 1.00 0.00 N ATOM 0 H ARG A 21 -3.682 9.117 1.232 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.073 11.454 3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.815 9.178 1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.455 10.494 2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.797 11.332 0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.243 12.045 1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.060 10.576 -0.337 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.209 9.270 -0.124 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.846 10.540 -1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.032 12.424 -1.020 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.865 12.958 -2.696 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.405 10.870 -3.878 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.195 12.087 -4.298 1.00 0.00 H new ATOM 84 N MET A 22 -4.376 8.367 4.135 1.00 0.00 N ATOM 85 CA MET A 22 -4.362 7.598 5.411 1.00 0.00 C ATOM 86 C MET A 22 -2.929 7.425 5.911 1.00 0.00 C ATOM 87 O MET A 22 -1.983 7.827 5.265 1.00 0.00 O ATOM 88 CB MET A 22 -4.982 6.245 5.065 1.00 0.00 C ATOM 89 CG MET A 22 -6.264 6.470 4.261 1.00 0.00 C ATOM 90 SD MET A 22 -7.181 4.915 4.137 1.00 0.00 S ATOM 91 CE MET A 22 -7.193 4.802 2.332 1.00 0.00 C ATOM 0 H MET A 22 -4.484 7.807 3.289 1.00 0.00 H new ATOM 0 HA MET A 22 -4.911 8.105 6.204 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.278 5.645 4.489 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.203 5.689 5.976 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.879 7.230 4.743 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.021 6.841 3.265 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.159 4.423 1.998 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.023 5.790 1.904 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.405 4.124 2.005 1.00 0.00 H new ATOM 101 N GLU A 23 -2.763 6.839 7.063 1.00 0.00 N ATOM 102 CA GLU A 23 -1.393 6.651 7.612 1.00 0.00 C ATOM 103 C GLU A 23 -0.784 5.351 7.088 1.00 0.00 C ATOM 104 O GLU A 23 0.400 5.262 6.857 1.00 0.00 O ATOM 105 CB GLU A 23 -1.590 6.596 9.123 1.00 0.00 C ATOM 106 CG GLU A 23 -0.363 5.971 9.793 1.00 0.00 C ATOM 107 CD GLU A 23 -0.677 5.697 11.264 1.00 0.00 C ATOM 108 OE1 GLU A 23 -0.484 6.596 12.066 1.00 0.00 O ATOM 109 OE2 GLU A 23 -1.105 4.595 11.564 1.00 0.00 O ATOM 0 H GLU A 23 -3.518 6.482 7.648 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.710 7.448 7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.754 7.601 9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.480 6.013 9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.091 5.044 9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.492 6.642 9.710 1.00 0.00 H new ATOM 116 N LYS A 24 -1.572 4.339 6.894 1.00 0.00 N ATOM 117 CA LYS A 24 -0.999 3.067 6.380 1.00 0.00 C ATOM 118 C LYS A 24 -0.183 3.347 5.109 1.00 0.00 C ATOM 119 O LYS A 24 0.972 2.969 5.005 1.00 0.00 O ATOM 120 CB LYS A 24 -2.203 2.169 6.083 1.00 0.00 C ATOM 121 CG LYS A 24 -3.219 2.923 5.221 1.00 0.00 C ATOM 122 CD LYS A 24 -4.638 2.516 5.622 1.00 0.00 C ATOM 123 CE LYS A 24 -4.903 1.073 5.184 1.00 0.00 C ATOM 124 NZ LYS A 24 -4.406 0.223 6.303 1.00 0.00 N ATOM 0 H LYS A 24 -2.577 4.333 7.066 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.324 2.592 7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.875 1.266 5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.669 1.852 7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.090 3.998 5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.051 2.702 4.167 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.762 2.607 6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.363 3.186 5.160 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.965 0.905 5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.383 0.843 4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.026 -0.605 6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.438 -0.094 6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.408 0.774 7.185 1.00 0.00 H new ATOM 138 N LEU A 25 -0.760 4.028 4.152 1.00 0.00 N ATOM 139 CA LEU A 25 -0.001 4.339 2.911 1.00 0.00 C ATOM 140 C LEU A 25 1.125 5.306 3.246 1.00 0.00 C ATOM 141 O LEU A 25 2.267 5.054 2.954 1.00 0.00 O ATOM 142 CB LEU A 25 -1.009 4.979 1.951 1.00 0.00 C ATOM 143 CG LEU A 25 -2.233 4.066 1.762 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.888 4.380 0.418 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.824 2.585 1.767 1.00 0.00 C ATOM 0 H LEU A 25 -1.717 4.379 4.179 1.00 0.00 H new ATOM 0 HA LEU A 25 0.448 3.453 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.327 5.946 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.534 5.164 0.987 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.924 4.246 2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.756 3.736 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.203 5.423 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.172 4.205 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.709 1.963 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.122 2.399 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.351 2.341 2.718 1.00 0.00 H new ATOM 157 N ASN A 26 0.825 6.402 3.882 1.00 0.00 N ATOM 158 CA ASN A 26 1.917 7.348 4.247 1.00 0.00 C ATOM 159 C ASN A 26 3.051 6.554 4.895 1.00 0.00 C ATOM 160 O ASN A 26 4.072 6.300 4.288 1.00 0.00 O ATOM 161 CB ASN A 26 1.293 8.314 5.254 1.00 0.00 C ATOM 162 CG ASN A 26 0.622 9.463 4.506 1.00 0.00 C ATOM 163 OD1 ASN A 26 1.133 9.931 3.510 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.506 9.942 4.948 1.00 0.00 N ATOM 0 H ASN A 26 -0.115 6.683 4.162 1.00 0.00 H new ATOM 0 HA ASN A 26 2.326 7.883 3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.562 7.791 5.871 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.059 8.701 5.926 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.961 10.711 4.457 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.934 9.548 5.785 1.00 0.00 H new ATOM 171 N GLN A 27 2.861 6.155 6.124 1.00 0.00 N ATOM 172 CA GLN A 27 3.898 5.359 6.840 1.00 0.00 C ATOM 173 C GLN A 27 4.594 4.392 5.879 1.00 0.00 C ATOM 174 O GLN A 27 5.790 4.213 5.937 1.00 0.00 O ATOM 175 CB GLN A 27 3.127 4.583 7.904 1.00 0.00 C ATOM 176 CG GLN A 27 2.972 5.446 9.157 1.00 0.00 C ATOM 177 CD GLN A 27 2.709 4.545 10.364 1.00 0.00 C ATOM 178 OE1 GLN A 27 1.577 4.369 10.771 1.00 0.00 O ATOM 179 NE2 GLN A 27 3.714 3.963 10.960 1.00 0.00 N ATOM 0 H GLN A 27 2.021 6.350 6.668 1.00 0.00 H new ATOM 0 HA GLN A 27 4.676 5.991 7.268 1.00 0.00 H new ATOM 0 HB2 GLN A 27 2.146 4.299 7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.653 3.660 8.148 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.874 6.036 9.319 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.149 6.150 9.028 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.664 4.110 10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.549 3.361 11.767 1.00 0.00 H new ATOM 188 N LEU A 28 3.861 3.760 4.998 1.00 0.00 N ATOM 189 CA LEU A 28 4.517 2.813 4.048 1.00 0.00 C ATOM 190 C LEU A 28 5.534 3.560 3.176 1.00 0.00 C ATOM 191 O LEU A 28 6.711 3.280 3.201 1.00 0.00 O ATOM 192 CB LEU A 28 3.379 2.240 3.191 1.00 0.00 C ATOM 193 CG LEU A 28 3.325 0.719 3.362 1.00 0.00 C ATOM 194 CD1 LEU A 28 2.194 0.355 4.323 1.00 0.00 C ATOM 195 CD2 LEU A 28 3.070 0.061 2.003 1.00 0.00 C ATOM 0 H LEU A 28 2.851 3.857 4.896 1.00 0.00 H new ATOM 0 HA LEU A 28 5.063 2.024 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.428 2.684 3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.536 2.493 2.143 1.00 0.00 H new ATOM 0 HG LEU A 28 4.274 0.365 3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.155 -0.727 4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.374 0.823 5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.245 0.709 3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.032 -1.022 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.121 0.415 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.876 0.321 1.316 1.00 0.00 H new ATOM 207 N TRP A 29 5.079 4.510 2.411 1.00 0.00 N ATOM 208 CA TRP A 29 5.986 5.299 1.530 1.00 0.00 C ATOM 209 C TRP A 29 7.157 5.884 2.339 1.00 0.00 C ATOM 210 O TRP A 29 8.323 5.641 2.053 1.00 0.00 O ATOM 211 CB TRP A 29 5.064 6.400 1.004 1.00 0.00 C ATOM 212 CG TRP A 29 5.831 7.416 0.235 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.821 8.739 0.494 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.693 7.227 -0.921 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.640 9.380 -0.420 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.197 8.487 -1.316 1.00 0.00 C ATOM 217 CE3 TRP A 29 7.086 6.093 -1.655 1.00 0.00 C ATOM 218 CZ2 TRP A 29 8.061 8.620 -2.400 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.954 6.225 -2.749 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.439 7.485 -3.121 1.00 0.00 C ATOM 0 H TRP A 29 4.097 4.779 2.357 1.00 0.00 H new ATOM 0 HA TRP A 29 6.449 4.713 0.736 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.295 5.962 0.368 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.552 6.880 1.838 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.265 9.220 1.285 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.811 10.386 -0.431 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.718 5.117 -1.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.436 9.593 -2.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.250 5.350 -3.308 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.105 7.579 -3.966 1.00 0.00 H new ATOM 231 N GLU A 30 6.863 6.653 3.348 1.00 0.00 N ATOM 232 CA GLU A 30 7.950 7.246 4.168 1.00 0.00 C ATOM 233 C GLU A 30 8.908 6.150 4.643 1.00 0.00 C ATOM 234 O GLU A 30 10.111 6.337 4.683 1.00 0.00 O ATOM 235 CB GLU A 30 7.243 7.895 5.358 1.00 0.00 C ATOM 236 CG GLU A 30 7.045 9.388 5.085 1.00 0.00 C ATOM 237 CD GLU A 30 5.812 9.887 5.843 1.00 0.00 C ATOM 238 OE1 GLU A 30 4.872 9.120 5.974 1.00 0.00 O ATOM 239 OE2 GLU A 30 5.830 11.025 6.278 1.00 0.00 O ATOM 0 H GLU A 30 5.916 6.896 3.639 1.00 0.00 H new ATOM 0 HA GLU A 30 8.544 7.968 3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.279 7.415 5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.832 7.756 6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.928 9.946 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.922 9.560 4.016 1.00 0.00 H new ATOM 246 N LYS A 31 8.395 4.999 4.991 1.00 0.00 N ATOM 247 CA LYS A 31 9.301 3.913 5.442 1.00 0.00 C ATOM 248 C LYS A 31 10.209 3.529 4.281 1.00 0.00 C ATOM 249 O LYS A 31 11.399 3.365 4.441 1.00 0.00 O ATOM 250 CB LYS A 31 8.397 2.749 5.837 1.00 0.00 C ATOM 251 CG LYS A 31 9.182 1.794 6.739 1.00 0.00 C ATOM 252 CD LYS A 31 8.212 0.900 7.511 1.00 0.00 C ATOM 253 CE LYS A 31 7.907 -0.353 6.685 1.00 0.00 C ATOM 254 NZ LYS A 31 6.503 -0.174 6.212 1.00 0.00 N ATOM 0 H LYS A 31 7.401 4.770 4.982 1.00 0.00 H new ATOM 0 HA LYS A 31 9.931 4.208 6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.513 3.118 6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.047 2.225 4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.856 1.183 6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.801 2.361 7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.645 0.619 8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.291 1.442 7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.596 -0.450 5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.008 -1.256 7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.200 -1.024 5.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.878 -0.024 7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.452 0.651 5.581 1.00 0.00 H new ATOM 268 N ALA A 32 9.658 3.415 3.105 1.00 0.00 N ATOM 269 CA ALA A 32 10.496 3.079 1.933 1.00 0.00 C ATOM 270 C ALA A 32 11.661 4.058 1.896 1.00 0.00 C ATOM 271 O ALA A 32 12.804 3.680 1.730 1.00 0.00 O ATOM 272 CB ALA A 32 9.588 3.263 0.719 1.00 0.00 C ATOM 0 H ALA A 32 8.665 3.541 2.910 1.00 0.00 H new ATOM 0 HA ALA A 32 10.900 2.067 1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.144 3.031 -0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.731 2.595 0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.240 4.295 0.678 1.00 0.00 H new ATOM 278 N GLN A 33 11.378 5.320 2.084 1.00 0.00 N ATOM 279 CA GLN A 33 12.479 6.323 2.096 1.00 0.00 C ATOM 280 C GLN A 33 13.459 5.968 3.217 1.00 0.00 C ATOM 281 O GLN A 33 14.659 6.090 3.070 1.00 0.00 O ATOM 282 CB GLN A 33 11.798 7.665 2.375 1.00 0.00 C ATOM 283 CG GLN A 33 10.860 8.001 1.218 1.00 0.00 C ATOM 284 CD GLN A 33 9.852 9.058 1.658 1.00 0.00 C ATOM 285 OE1 GLN A 33 10.183 9.975 2.384 1.00 0.00 O ATOM 286 NE2 GLN A 33 8.622 8.958 1.247 1.00 0.00 N ATOM 0 H GLN A 33 10.441 5.696 2.228 1.00 0.00 H new ATOM 0 HA GLN A 33 13.040 6.352 1.162 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.239 7.616 3.310 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.546 8.449 2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.435 8.366 0.367 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.338 7.103 0.889 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.349 8.187 0.638 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.931 9.651 1.534 1.00 0.00 H new ATOM 295 N ARG A 34 12.952 5.515 4.335 1.00 0.00 N ATOM 296 CA ARG A 34 13.848 5.136 5.468 1.00 0.00 C ATOM 297 C ARG A 34 14.704 3.923 5.082 1.00 0.00 C ATOM 298 O ARG A 34 15.800 3.741 5.575 1.00 0.00 O ATOM 299 CB ARG A 34 12.906 4.785 6.619 1.00 0.00 C ATOM 300 CG ARG A 34 12.443 6.068 7.310 1.00 0.00 C ATOM 301 CD ARG A 34 13.621 6.695 8.057 1.00 0.00 C ATOM 302 NE ARG A 34 13.032 7.826 8.826 1.00 0.00 N ATOM 303 CZ ARG A 34 13.241 9.054 8.442 1.00 0.00 C ATOM 304 NH1 ARG A 34 12.606 9.531 7.407 1.00 0.00 N ATOM 305 NH2 ARG A 34 14.084 9.806 9.096 1.00 0.00 N ATOM 0 H ARG A 34 11.955 5.391 4.512 1.00 0.00 H new ATOM 0 HA ARG A 34 14.536 5.937 5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.046 4.231 6.243 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.414 4.138 7.334 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.050 6.769 6.574 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.633 5.848 8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.097 5.973 8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.386 7.045 7.364 1.00 0.00 H new ATOM 0 HE ARG A 34 12.465 7.640 9.653 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.946 8.943 6.898 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.770 10.492 7.107 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.578 9.433 9.906 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.249 10.767 8.797 1.00 0.00 H new ATOM 319 N LEU A 35 14.216 3.096 4.193 1.00 0.00 N ATOM 320 CA LEU A 35 15.001 1.901 3.763 1.00 0.00 C ATOM 321 C LEU A 35 16.111 2.321 2.797 1.00 0.00 C ATOM 322 O LEU A 35 16.832 1.499 2.271 1.00 0.00 O ATOM 323 CB LEU A 35 13.992 1.002 3.047 1.00 0.00 C ATOM 324 CG LEU A 35 13.295 0.109 4.070 1.00 0.00 C ATOM 325 CD1 LEU A 35 12.079 0.841 4.640 1.00 0.00 C ATOM 326 CD2 LEU A 35 12.842 -1.185 3.390 1.00 0.00 C ATOM 0 H LEU A 35 13.305 3.198 3.746 1.00 0.00 H new ATOM 0 HA LEU A 35 15.478 1.397 4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.258 1.610 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.498 0.391 2.300 1.00 0.00 H new ATOM 0 HG LEU A 35 13.986 -0.129 4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.580 0.204 5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.403 1.763 5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.386 1.078 3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.344 -1.824 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.150 -0.948 2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.709 -1.705 2.984 1.00 0.00 H new ATOM 338 N HIS A 36 16.236 3.596 2.557 1.00 0.00 N ATOM 339 CA HIS A 36 17.284 4.093 1.619 1.00 0.00 C ATOM 340 C HIS A 36 16.990 3.611 0.198 1.00 0.00 C ATOM 341 O HIS A 36 17.866 3.558 -0.642 1.00 0.00 O ATOM 342 CB HIS A 36 18.610 3.514 2.129 1.00 0.00 C ATOM 343 CG HIS A 36 18.754 3.804 3.598 1.00 0.00 C ATOM 344 ND1 HIS A 36 19.578 4.812 4.072 1.00 0.00 N ATOM 345 CD2 HIS A 36 18.188 3.228 4.709 1.00 0.00 C ATOM 346 CE1 HIS A 36 19.486 4.813 5.414 1.00 0.00 C ATOM 347 NE2 HIS A 36 18.651 3.867 5.855 1.00 0.00 N ATOM 0 H HIS A 36 15.653 4.322 2.973 1.00 0.00 H new ATOM 0 HA HIS A 36 17.316 5.182 1.585 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.640 2.438 1.956 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.444 3.949 1.578 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.490 2.404 4.695 1.00 0.00 H new ATOM 0 HE1 HIS A 36 20.022 5.495 6.057 1.00 0.00 H new ATOM 0 HE2 HIS A 36 18.406 3.658 6.823 1.00 0.00 H new ATOM 355 N LEU A 37 15.761 3.264 -0.084 1.00 0.00 N ATOM 356 CA LEU A 37 15.421 2.796 -1.455 1.00 0.00 C ATOM 357 C LEU A 37 15.945 3.786 -2.497 1.00 0.00 C ATOM 358 O LEU A 37 16.105 4.957 -2.219 1.00 0.00 O ATOM 359 CB LEU A 37 13.894 2.775 -1.506 1.00 0.00 C ATOM 360 CG LEU A 37 13.354 1.538 -0.788 1.00 0.00 C ATOM 361 CD1 LEU A 37 11.831 1.624 -0.733 1.00 0.00 C ATOM 362 CD2 LEU A 37 13.757 0.277 -1.554 1.00 0.00 C ATOM 0 H LEU A 37 14.983 3.285 0.575 1.00 0.00 H new ATOM 0 HA LEU A 37 15.861 1.822 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.496 3.676 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.558 2.777 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 37 13.765 1.494 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.435 0.746 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.537 2.522 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.432 1.665 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.370 -0.602 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.345 0.317 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.844 0.216 -1.608 1.00 0.00 H new ATOM 374 N PRO A 38 16.162 3.276 -3.674 1.00 0.00 N ATOM 375 CA PRO A 38 16.629 4.116 -4.801 1.00 0.00 C ATOM 376 C PRO A 38 15.444 4.924 -5.330 1.00 0.00 C ATOM 377 O PRO A 38 14.338 4.761 -4.857 1.00 0.00 O ATOM 378 CB PRO A 38 17.091 3.097 -5.837 1.00 0.00 C ATOM 379 CG PRO A 38 16.318 1.856 -5.530 1.00 0.00 C ATOM 380 CD PRO A 38 15.998 1.879 -4.057 1.00 0.00 C ATOM 0 HA PRO A 38 17.416 4.822 -4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.891 3.446 -6.850 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.164 2.921 -5.766 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.403 1.817 -6.121 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.899 0.969 -5.783 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.983 1.531 -3.865 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.670 1.231 -3.494 1.00 0.00 H new ATOM 388 N PRO A 39 15.696 5.763 -6.297 1.00 0.00 N ATOM 389 CA PRO A 39 14.606 6.583 -6.875 1.00 0.00 C ATOM 390 C PRO A 39 13.670 5.706 -7.711 1.00 0.00 C ATOM 391 O PRO A 39 12.486 5.964 -7.809 1.00 0.00 O ATOM 392 CB PRO A 39 15.341 7.593 -7.750 1.00 0.00 C ATOM 393 CG PRO A 39 16.637 6.933 -8.092 1.00 0.00 C ATOM 394 CD PRO A 39 16.988 6.025 -6.942 1.00 0.00 C ATOM 0 HA PRO A 39 13.980 7.062 -6.122 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.769 7.829 -8.647 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.503 8.531 -7.220 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.548 6.365 -9.018 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.419 7.676 -8.248 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.457 5.104 -7.288 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.689 6.501 -6.256 1.00 0.00 H new ATOM 402 N VAL A 40 14.192 4.671 -8.315 1.00 0.00 N ATOM 403 CA VAL A 40 13.329 3.784 -9.147 1.00 0.00 C ATOM 404 C VAL A 40 12.337 3.018 -8.267 1.00 0.00 C ATOM 405 O VAL A 40 11.166 2.949 -8.568 1.00 0.00 O ATOM 406 CB VAL A 40 14.288 2.820 -9.850 1.00 0.00 C ATOM 407 CG1 VAL A 40 14.738 1.725 -8.883 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.571 2.181 -11.041 1.00 0.00 C ATOM 0 H VAL A 40 15.175 4.403 -8.268 1.00 0.00 H new ATOM 0 HA VAL A 40 12.736 4.353 -9.863 1.00 0.00 H new ATOM 0 HB VAL A 40 15.164 3.371 -10.193 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.420 1.046 -9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.247 2.178 -8.032 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.868 1.170 -8.532 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.248 1.493 -11.547 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.696 1.635 -10.689 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.258 2.959 -11.737 1.00 0.00 H new ATOM 418 N ARG A 41 12.787 2.439 -7.188 1.00 0.00 N ATOM 419 CA ARG A 41 11.845 1.690 -6.316 1.00 0.00 C ATOM 420 C ARG A 41 10.913 2.665 -5.614 1.00 0.00 C ATOM 421 O ARG A 41 9.793 2.340 -5.294 1.00 0.00 O ATOM 422 CB ARG A 41 12.725 0.969 -5.304 1.00 0.00 C ATOM 423 CG ARG A 41 12.653 -0.533 -5.551 1.00 0.00 C ATOM 424 CD ARG A 41 13.373 -1.253 -4.421 1.00 0.00 C ATOM 425 NE ARG A 41 14.797 -0.888 -4.605 1.00 0.00 N ATOM 426 CZ ARG A 41 15.733 -1.764 -4.361 1.00 0.00 C ATOM 427 NH1 ARG A 41 15.568 -2.645 -3.411 1.00 0.00 N ATOM 428 NH2 ARG A 41 16.831 -1.763 -5.065 1.00 0.00 N ATOM 0 H ARG A 41 13.758 2.453 -6.876 1.00 0.00 H new ATOM 0 HA ARG A 41 11.223 0.992 -6.877 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.755 1.314 -5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.396 1.198 -4.291 1.00 0.00 H new ATOM 0 HG2 ARG A 41 11.614 -0.857 -5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.112 -0.780 -6.508 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.003 -0.934 -3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.228 -2.332 -4.480 1.00 0.00 H new ATOM 0 HE ARG A 41 15.046 0.049 -4.923 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.709 -2.647 -2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.298 -3.331 -3.219 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.960 -1.076 -5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.561 -2.449 -4.872 1.00 0.00 H new ATOM 442 N LEU A 42 11.369 3.862 -5.379 1.00 0.00 N ATOM 443 CA LEU A 42 10.504 4.867 -4.707 1.00 0.00 C ATOM 444 C LEU A 42 9.494 5.411 -5.714 1.00 0.00 C ATOM 445 O LEU A 42 8.408 5.823 -5.361 1.00 0.00 O ATOM 446 CB LEU A 42 11.457 5.966 -4.253 1.00 0.00 C ATOM 447 CG LEU A 42 12.398 5.414 -3.182 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.563 6.387 -2.997 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.633 5.277 -1.860 1.00 0.00 C ATOM 0 H LEU A 42 12.304 4.188 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 42 9.942 4.454 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.032 6.337 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.893 6.810 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 42 12.777 4.438 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.241 6.003 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.100 6.495 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.180 7.358 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.300 4.884 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.262 6.254 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.793 4.596 -1.995 1.00 0.00 H new ATOM 461 N ALA A 43 9.842 5.398 -6.970 1.00 0.00 N ATOM 462 CA ALA A 43 8.894 5.893 -8.006 1.00 0.00 C ATOM 463 C ALA A 43 7.826 4.825 -8.253 1.00 0.00 C ATOM 464 O ALA A 43 6.642 5.080 -8.155 1.00 0.00 O ATOM 465 CB ALA A 43 9.743 6.109 -9.256 1.00 0.00 C ATOM 0 H ALA A 43 10.740 5.067 -7.323 1.00 0.00 H new ATOM 0 HA ALA A 43 8.383 6.810 -7.712 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.112 6.475 -10.066 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.522 6.841 -9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.202 5.166 -9.552 1.00 0.00 H new ATOM 471 N GLU A 44 8.240 3.622 -8.548 1.00 0.00 N ATOM 472 CA GLU A 44 7.254 2.531 -8.773 1.00 0.00 C ATOM 473 C GLU A 44 6.518 2.261 -7.464 1.00 0.00 C ATOM 474 O GLU A 44 5.355 1.914 -7.453 1.00 0.00 O ATOM 475 CB GLU A 44 8.089 1.321 -9.195 1.00 0.00 C ATOM 476 CG GLU A 44 8.947 1.703 -10.402 1.00 0.00 C ATOM 477 CD GLU A 44 9.089 0.500 -11.337 1.00 0.00 C ATOM 478 OE1 GLU A 44 8.080 -0.122 -11.628 1.00 0.00 O ATOM 479 OE2 GLU A 44 10.203 0.223 -11.748 1.00 0.00 O ATOM 0 H GLU A 44 9.218 3.350 -8.642 1.00 0.00 H new ATOM 0 HA GLU A 44 6.506 2.773 -9.528 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.723 0.996 -8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.438 0.484 -9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.491 2.538 -10.935 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.931 2.036 -10.070 1.00 0.00 H new ATOM 486 N LEU A 45 7.187 2.449 -6.356 1.00 0.00 N ATOM 487 CA LEU A 45 6.518 2.239 -5.044 1.00 0.00 C ATOM 488 C LEU A 45 5.448 3.304 -4.883 1.00 0.00 C ATOM 489 O LEU A 45 4.335 3.023 -4.515 1.00 0.00 O ATOM 490 CB LEU A 45 7.608 2.416 -3.985 1.00 0.00 C ATOM 491 CG LEU A 45 6.972 2.711 -2.623 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.181 1.490 -2.138 1.00 0.00 C ATOM 493 CD2 LEU A 45 8.076 3.029 -1.618 1.00 0.00 C ATOM 0 H LEU A 45 8.164 2.738 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 45 6.050 1.258 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.217 1.514 -3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.274 3.231 -4.269 1.00 0.00 H new ATOM 0 HG LEU A 45 6.295 3.560 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.732 1.709 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.396 1.256 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.852 0.636 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.632 3.240 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.748 2.175 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.638 3.899 -1.958 1.00 0.00 H new ATOM 505 N HIS A 46 5.779 4.531 -5.175 1.00 0.00 N ATOM 506 CA HIS A 46 4.772 5.614 -5.053 1.00 0.00 C ATOM 507 C HIS A 46 3.586 5.302 -5.959 1.00 0.00 C ATOM 508 O HIS A 46 2.448 5.508 -5.600 1.00 0.00 O ATOM 509 CB HIS A 46 5.477 6.889 -5.514 1.00 0.00 C ATOM 510 CG HIS A 46 4.744 8.072 -4.949 1.00 0.00 C ATOM 511 ND1 HIS A 46 3.639 8.625 -5.576 1.00 0.00 N ATOM 512 CD2 HIS A 46 4.929 8.802 -3.803 1.00 0.00 C ATOM 513 CE1 HIS A 46 3.203 9.639 -4.808 1.00 0.00 C ATOM 514 NE2 HIS A 46 3.954 9.792 -3.714 1.00 0.00 N ATOM 0 H HIS A 46 6.702 4.827 -5.492 1.00 0.00 H new ATOM 0 HA HIS A 46 4.395 5.718 -4.035 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.514 6.891 -5.178 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.494 6.939 -6.603 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.231 8.319 -6.459 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.713 8.634 -3.079 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.349 10.255 -5.047 1.00 0.00 H new ATOM 522 N ALA A 47 3.846 4.791 -7.130 1.00 0.00 N ATOM 523 CA ALA A 47 2.730 4.452 -8.054 1.00 0.00 C ATOM 524 C ALA A 47 1.875 3.343 -7.434 1.00 0.00 C ATOM 525 O ALA A 47 0.664 3.359 -7.512 1.00 0.00 O ATOM 526 CB ALA A 47 3.412 3.961 -9.333 1.00 0.00 C ATOM 0 H ALA A 47 4.781 4.594 -7.486 1.00 0.00 H new ATOM 0 HA ALA A 47 2.071 5.297 -8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.654 3.690 -10.068 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.042 4.754 -9.737 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.026 3.089 -9.106 1.00 0.00 H new ATOM 532 N ASP A 48 2.506 2.384 -6.813 1.00 0.00 N ATOM 533 CA ASP A 48 1.746 1.267 -6.182 1.00 0.00 C ATOM 534 C ASP A 48 0.994 1.759 -4.943 1.00 0.00 C ATOM 535 O ASP A 48 -0.060 1.255 -4.607 1.00 0.00 O ATOM 536 CB ASP A 48 2.807 0.246 -5.784 1.00 0.00 C ATOM 537 CG ASP A 48 2.578 -1.059 -6.548 1.00 0.00 C ATOM 538 OD1 ASP A 48 1.510 -1.208 -7.120 1.00 0.00 O ATOM 539 OD2 ASP A 48 3.473 -1.887 -6.548 1.00 0.00 O ATOM 0 H ASP A 48 3.520 2.326 -6.715 1.00 0.00 H new ATOM 0 HA ASP A 48 1.000 0.848 -6.858 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.801 0.636 -6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.765 0.063 -4.710 1.00 0.00 H new ATOM 544 N LEU A 49 1.515 2.745 -4.263 1.00 0.00 N ATOM 545 CA LEU A 49 0.815 3.261 -3.064 1.00 0.00 C ATOM 546 C LEU A 49 -0.342 4.125 -3.515 1.00 0.00 C ATOM 547 O LEU A 49 -1.364 4.192 -2.871 1.00 0.00 O ATOM 548 CB LEU A 49 1.848 4.096 -2.311 1.00 0.00 C ATOM 549 CG LEU A 49 2.999 3.203 -1.858 1.00 0.00 C ATOM 550 CD1 LEU A 49 4.076 4.060 -1.196 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.479 2.168 -0.861 1.00 0.00 C ATOM 0 H LEU A 49 2.394 3.211 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 49 0.419 2.467 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.224 4.893 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.384 4.574 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 49 3.425 2.690 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.899 3.423 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.446 4.796 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.653 4.574 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.301 1.530 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.053 2.677 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.712 1.558 -1.337 1.00 0.00 H new ATOM 563 N LYS A 50 -0.199 4.774 -4.636 1.00 0.00 N ATOM 564 CA LYS A 50 -1.312 5.607 -5.133 1.00 0.00 C ATOM 565 C LYS A 50 -2.424 4.670 -5.597 1.00 0.00 C ATOM 566 O LYS A 50 -3.577 4.877 -5.308 1.00 0.00 O ATOM 567 CB LYS A 50 -0.747 6.418 -6.298 1.00 0.00 C ATOM 568 CG LYS A 50 0.199 7.507 -5.771 1.00 0.00 C ATOM 569 CD LYS A 50 -0.485 8.317 -4.664 1.00 0.00 C ATOM 570 CE LYS A 50 -1.827 8.850 -5.169 1.00 0.00 C ATOM 571 NZ LYS A 50 -1.475 9.917 -6.146 1.00 0.00 N ATOM 0 H LYS A 50 0.636 4.760 -5.221 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.721 6.277 -4.377 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.212 5.761 -6.984 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.560 6.874 -6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.111 7.051 -5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.493 8.168 -6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.639 7.692 -3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.154 9.145 -4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.413 8.061 -5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.427 9.247 -4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.253 10.605 -6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.608 10.400 -5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.319 9.492 -7.082 1.00 0.00 H new ATOM 585 N ILE A 51 -2.081 3.614 -6.290 1.00 0.00 N ATOM 586 CA ILE A 51 -3.125 2.650 -6.726 1.00 0.00 C ATOM 587 C ILE A 51 -3.788 2.053 -5.485 1.00 0.00 C ATOM 588 O ILE A 51 -4.993 1.919 -5.411 1.00 0.00 O ATOM 589 CB ILE A 51 -2.379 1.568 -7.506 1.00 0.00 C ATOM 590 CG1 ILE A 51 -1.848 2.157 -8.814 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.331 0.411 -7.819 1.00 0.00 C ATOM 592 CD1 ILE A 51 -2.955 2.952 -9.504 1.00 0.00 C ATOM 0 H ILE A 51 -1.128 3.382 -6.569 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.901 3.112 -7.336 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.546 1.200 -6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.993 2.803 -8.613 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.498 1.359 -9.468 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.797 -0.359 -8.375 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.710 -0.011 -6.888 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.165 0.778 -8.417 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.575 3.371 -10.436 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.796 2.293 -9.719 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.284 3.760 -8.850 1.00 0.00 H new ATOM 604 N GLN A 52 -3.004 1.712 -4.493 1.00 0.00 N ATOM 605 CA GLN A 52 -3.586 1.145 -3.248 1.00 0.00 C ATOM 606 C GLN A 52 -4.369 2.238 -2.528 1.00 0.00 C ATOM 607 O GLN A 52 -5.295 1.971 -1.800 1.00 0.00 O ATOM 608 CB GLN A 52 -2.376 0.709 -2.411 1.00 0.00 C ATOM 609 CG GLN A 52 -2.738 -0.483 -1.514 1.00 0.00 C ATOM 610 CD GLN A 52 -4.013 -0.189 -0.720 1.00 0.00 C ATOM 611 OE1 GLN A 52 -4.150 0.870 -0.143 1.00 0.00 O ATOM 612 NE2 GLN A 52 -4.953 -1.098 -0.644 1.00 0.00 N ATOM 0 H GLN A 52 -1.988 1.803 -4.496 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.267 0.314 -3.432 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.551 0.438 -3.069 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.033 1.542 -1.797 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.880 -1.375 -2.124 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.916 -0.693 -0.829 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.841 -1.989 -1.128 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.797 -0.915 -0.101 1.00 0.00 H new ATOM 621 N GLU A 53 -4.009 3.472 -2.742 1.00 0.00 N ATOM 622 CA GLU A 53 -4.741 4.579 -2.077 1.00 0.00 C ATOM 623 C GLU A 53 -6.123 4.728 -2.710 1.00 0.00 C ATOM 624 O GLU A 53 -7.127 4.564 -2.061 1.00 0.00 O ATOM 625 CB GLU A 53 -3.881 5.816 -2.328 1.00 0.00 C ATOM 626 CG GLU A 53 -4.104 6.828 -1.207 1.00 0.00 C ATOM 627 CD GLU A 53 -4.044 8.241 -1.788 1.00 0.00 C ATOM 628 OE1 GLU A 53 -5.054 8.688 -2.306 1.00 0.00 O ATOM 629 OE2 GLU A 53 -2.992 8.850 -1.705 1.00 0.00 O ATOM 0 H GLU A 53 -3.241 3.759 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.898 4.411 -1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.829 5.537 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.137 6.261 -3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.071 6.657 -0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.345 6.707 -0.435 1.00 0.00 H new ATOM 636 N ARG A 54 -6.177 5.018 -3.978 1.00 0.00 N ATOM 637 CA ARG A 54 -7.491 5.157 -4.664 1.00 0.00 C ATOM 638 C ARG A 54 -8.299 3.871 -4.491 1.00 0.00 C ATOM 639 O ARG A 54 -9.511 3.887 -4.415 1.00 0.00 O ATOM 640 CB ARG A 54 -7.139 5.374 -6.137 1.00 0.00 C ATOM 641 CG ARG A 54 -8.336 5.980 -6.868 1.00 0.00 C ATOM 642 CD ARG A 54 -8.638 5.156 -8.122 1.00 0.00 C ATOM 643 NE ARG A 54 -7.645 5.616 -9.133 1.00 0.00 N ATOM 644 CZ ARG A 54 -7.464 4.931 -10.230 1.00 0.00 C ATOM 645 NH1 ARG A 54 -8.405 4.885 -11.134 1.00 0.00 N ATOM 646 NH2 ARG A 54 -6.342 4.293 -10.425 1.00 0.00 N ATOM 0 H ARG A 54 -5.362 5.166 -4.573 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.092 5.973 -4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.276 6.035 -6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.861 4.426 -6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.206 5.996 -6.212 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.124 7.014 -7.141 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.537 4.088 -7.927 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.659 5.322 -8.467 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.106 6.466 -8.968 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.282 5.384 -10.983 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.263 4.350 -11.991 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.606 4.329 -9.720 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.202 3.758 -11.282 1.00 0.00 H new ATOM 660 N ASP A 55 -7.625 2.755 -4.429 1.00 0.00 N ATOM 661 CA ASP A 55 -8.331 1.454 -4.261 1.00 0.00 C ATOM 662 C ASP A 55 -8.748 1.259 -2.799 1.00 0.00 C ATOM 663 O ASP A 55 -9.708 0.575 -2.504 1.00 0.00 O ATOM 664 CB ASP A 55 -7.293 0.405 -4.667 1.00 0.00 C ATOM 665 CG ASP A 55 -7.045 0.486 -6.176 1.00 0.00 C ATOM 666 OD1 ASP A 55 -6.902 1.590 -6.676 1.00 0.00 O ATOM 667 OD2 ASP A 55 -7.003 -0.558 -6.806 1.00 0.00 O ATOM 0 H ASP A 55 -6.609 2.689 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.242 1.391 -4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.362 0.572 -4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.644 -0.592 -4.399 1.00 0.00 H new ATOM 672 N GLU A 56 -8.029 1.852 -1.883 1.00 0.00 N ATOM 673 CA GLU A 56 -8.378 1.690 -0.441 1.00 0.00 C ATOM 674 C GLU A 56 -9.487 2.666 -0.047 1.00 0.00 C ATOM 675 O GLU A 56 -10.292 2.369 0.808 1.00 0.00 O ATOM 676 CB GLU A 56 -7.086 1.985 0.323 1.00 0.00 C ATOM 677 CG GLU A 56 -7.241 1.585 1.790 1.00 0.00 C ATOM 678 CD GLU A 56 -6.103 0.640 2.179 1.00 0.00 C ATOM 679 OE1 GLU A 56 -4.958 1.037 2.042 1.00 0.00 O ATOM 680 OE2 GLU A 56 -6.396 -0.465 2.605 1.00 0.00 O ATOM 0 H GLU A 56 -7.217 2.440 -2.070 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.753 0.691 -0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.256 1.439 -0.125 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.845 3.046 0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.226 2.471 2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.203 1.098 1.946 1.00 0.00 H new ATOM 687 N LEU A 57 -9.564 3.808 -0.680 1.00 0.00 N ATOM 688 CA LEU A 57 -10.661 4.758 -0.347 1.00 0.00 C ATOM 689 C LEU A 57 -11.874 4.333 -1.156 1.00 0.00 C ATOM 690 O LEU A 57 -12.969 4.202 -0.647 1.00 0.00 O ATOM 691 CB LEU A 57 -10.203 6.154 -0.787 1.00 0.00 C ATOM 692 CG LEU A 57 -8.728 6.377 -0.456 1.00 0.00 C ATOM 693 CD1 LEU A 57 -8.031 6.921 -1.700 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.605 7.395 0.683 1.00 0.00 C ATOM 0 H LEU A 57 -8.920 4.120 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.902 4.766 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.360 6.271 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.809 6.912 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.268 5.438 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.976 7.087 -1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.125 6.202 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.493 7.864 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.552 7.553 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.054 8.340 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.121 7.017 1.566 1.00 0.00 H new ATOM 706 N ALA A 58 -11.667 4.077 -2.419 1.00 0.00 N ATOM 707 CA ALA A 58 -12.790 3.613 -3.268 1.00 0.00 C ATOM 708 C ALA A 58 -13.369 2.356 -2.627 1.00 0.00 C ATOM 709 O ALA A 58 -14.567 2.232 -2.419 1.00 0.00 O ATOM 710 CB ALA A 58 -12.164 3.296 -4.628 1.00 0.00 C ATOM 0 H ALA A 58 -10.770 4.170 -2.895 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.591 4.344 -3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.937 2.945 -5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.701 4.195 -5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.407 2.521 -4.508 1.00 0.00 H new ATOM 716 N TRP A 59 -12.521 1.426 -2.269 1.00 0.00 N ATOM 717 CA TRP A 59 -13.038 0.212 -1.607 1.00 0.00 C ATOM 718 C TRP A 59 -13.673 0.629 -0.282 1.00 0.00 C ATOM 719 O TRP A 59 -14.765 0.230 0.047 1.00 0.00 O ATOM 720 CB TRP A 59 -11.834 -0.700 -1.359 1.00 0.00 C ATOM 721 CG TRP A 59 -12.235 -1.693 -0.323 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.954 -2.810 -0.567 1.00 0.00 C ATOM 723 CD2 TRP A 59 -11.995 -1.656 1.111 1.00 0.00 C ATOM 724 NE1 TRP A 59 -13.194 -3.457 0.626 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.611 -2.792 1.693 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.311 -0.757 1.963 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.554 -3.030 3.065 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.253 -1.002 3.344 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.873 -2.134 3.892 1.00 0.00 C ATOM 0 H TRP A 59 -11.511 1.461 -2.407 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.785 -0.305 -2.209 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.538 -1.203 -2.279 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.975 -0.119 -1.022 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -13.287 -3.142 -1.539 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.734 -4.318 0.713 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.833 0.119 1.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -13.033 -3.902 3.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.727 -0.314 3.989 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.824 -2.313 4.956 1.00 0.00 H new ATOM 740 N LYS A 60 -12.994 1.441 0.479 1.00 0.00 N ATOM 741 CA LYS A 60 -13.578 1.882 1.772 1.00 0.00 C ATOM 742 C LYS A 60 -15.015 2.318 1.519 1.00 0.00 C ATOM 743 O LYS A 60 -15.892 2.126 2.339 1.00 0.00 O ATOM 744 CB LYS A 60 -12.705 3.045 2.243 1.00 0.00 C ATOM 745 CG LYS A 60 -11.685 2.520 3.255 1.00 0.00 C ATOM 746 CD LYS A 60 -10.437 3.404 3.240 1.00 0.00 C ATOM 747 CE LYS A 60 -10.617 4.552 4.231 1.00 0.00 C ATOM 748 NZ LYS A 60 -11.138 5.683 3.414 1.00 0.00 N ATOM 0 H LYS A 60 -12.070 1.814 0.263 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.599 1.100 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.194 3.501 1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.322 3.820 2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.122 2.509 4.253 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.416 1.492 3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.558 2.816 3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.268 3.797 2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.314 4.284 5.025 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.673 4.812 4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.097 6.561 3.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.558 5.788 2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.124 5.491 3.144 1.00 0.00 H new ATOM 762 N LYS A 61 -15.276 2.854 0.356 1.00 0.00 N ATOM 763 CA LYS A 61 -16.669 3.237 0.022 1.00 0.00 C ATOM 764 C LYS A 61 -17.447 1.935 -0.114 1.00 0.00 C ATOM 765 O LYS A 61 -18.504 1.759 0.451 1.00 0.00 O ATOM 766 CB LYS A 61 -16.582 3.968 -1.320 1.00 0.00 C ATOM 767 CG LYS A 61 -17.228 5.350 -1.197 1.00 0.00 C ATOM 768 CD LYS A 61 -17.767 5.785 -2.561 1.00 0.00 C ATOM 769 CE LYS A 61 -17.843 7.313 -2.619 1.00 0.00 C ATOM 770 NZ LYS A 61 -16.476 7.783 -2.255 1.00 0.00 N ATOM 0 H LYS A 61 -14.585 3.040 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 61 -17.154 3.873 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.540 4.069 -1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.085 3.388 -2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.037 5.321 -0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.498 6.074 -0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.120 5.413 -3.355 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.755 5.355 -2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -18.126 7.656 -3.614 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.590 7.697 -1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.275 8.678 -2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.422 7.932 -1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.776 7.068 -2.538 1.00 0.00 H new ATOM 784 N LEU A 62 -16.886 1.006 -0.842 1.00 0.00 N ATOM 785 CA LEU A 62 -17.538 -0.326 -1.009 1.00 0.00 C ATOM 786 C LEU A 62 -17.837 -0.946 0.364 1.00 0.00 C ATOM 787 O LEU A 62 -18.972 -1.051 0.780 1.00 0.00 O ATOM 788 CB LEU A 62 -16.491 -1.175 -1.727 1.00 0.00 C ATOM 789 CG LEU A 62 -16.902 -1.408 -3.174 1.00 0.00 C ATOM 790 CD1 LEU A 62 -15.982 -0.604 -4.094 1.00 0.00 C ATOM 791 CD2 LEU A 62 -16.775 -2.900 -3.492 1.00 0.00 C ATOM 0 H LEU A 62 -15.998 1.114 -1.332 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.480 -0.258 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.523 -0.676 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.375 -2.131 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.933 -1.088 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.272 -0.767 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.066 0.456 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -14.951 -0.927 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -17.067 -3.078 -4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.742 -3.216 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.425 -3.470 -2.828 1.00 0.00 H new ATOM 803 N LYS A 63 -16.810 -1.370 1.056 1.00 0.00 N ATOM 804 CA LYS A 63 -16.981 -1.999 2.400 1.00 0.00 C ATOM 805 C LYS A 63 -17.968 -1.203 3.260 1.00 0.00 C ATOM 806 O LYS A 63 -18.925 -1.742 3.777 1.00 0.00 O ATOM 807 CB LYS A 63 -15.581 -1.950 3.017 1.00 0.00 C ATOM 808 CG LYS A 63 -15.518 -2.857 4.247 1.00 0.00 C ATOM 809 CD LYS A 63 -16.431 -2.300 5.342 1.00 0.00 C ATOM 810 CE LYS A 63 -16.014 -2.868 6.700 1.00 0.00 C ATOM 811 NZ LYS A 63 -15.541 -1.691 7.483 1.00 0.00 N ATOM 0 H LYS A 63 -15.842 -1.305 0.740 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.381 -3.011 2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.840 -2.267 2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.334 -0.926 3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.826 -3.868 3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.493 -2.921 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.373 -1.212 5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.468 -2.560 5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.851 -3.361 7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.225 -3.612 6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.238 -2.002 8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.740 -1.246 6.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.315 -1.003 7.577 1.00 0.00 H new ATOM 825 N LEU A 64 -17.736 0.069 3.429 1.00 0.00 N ATOM 826 CA LEU A 64 -18.660 0.889 4.267 1.00 0.00 C ATOM 827 C LEU A 64 -20.091 0.792 3.728 1.00 0.00 C ATOM 828 O LEU A 64 -21.051 0.845 4.470 1.00 0.00 O ATOM 829 CB LEU A 64 -18.131 2.319 4.151 1.00 0.00 C ATOM 830 CG LEU A 64 -16.759 2.408 4.820 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.165 3.798 4.588 1.00 0.00 C ATOM 832 CD2 LEU A 64 -16.911 2.164 6.323 1.00 0.00 C ATOM 0 H LEU A 64 -16.949 0.577 3.025 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.692 0.551 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -18.056 2.607 3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -18.824 3.015 4.624 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.097 1.655 4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.187 3.860 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.058 3.974 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.826 4.552 5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.934 2.227 6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -17.573 2.918 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -17.334 1.173 6.490 1.00 0.00 H new ATOM 844 N ASP A 65 -20.234 0.654 2.440 1.00 0.00 N ATOM 845 CA ASP A 65 -21.597 0.554 1.837 1.00 0.00 C ATOM 846 C ASP A 65 -22.139 -0.875 1.959 1.00 0.00 C ATOM 847 O ASP A 65 -23.327 -1.107 1.855 1.00 0.00 O ATOM 848 CB ASP A 65 -21.400 0.923 0.365 1.00 0.00 C ATOM 849 CG ASP A 65 -21.902 2.348 0.123 1.00 0.00 C ATOM 850 OD1 ASP A 65 -22.418 2.941 1.057 1.00 0.00 O ATOM 851 OD2 ASP A 65 -21.760 2.824 -0.991 1.00 0.00 O ATOM 0 H ASP A 65 -19.463 0.606 1.774 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.315 1.205 2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.346 0.848 0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.941 0.223 -0.272 1.00 0.00 H new ATOM 856 N GLY A 66 -21.279 -1.831 2.173 1.00 0.00 N ATOM 857 CA GLY A 66 -21.745 -3.241 2.296 1.00 0.00 C ATOM 858 C GLY A 66 -21.420 -3.999 1.007 1.00 0.00 C ATOM 859 O GLY A 66 -22.199 -4.805 0.537 1.00 0.00 O ATOM 0 H GLY A 66 -20.272 -1.697 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -21.261 -3.723 3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.818 -3.266 2.484 1.00 0.00 H new ATOM 863 N LEU A 67 -20.277 -3.745 0.428 1.00 0.00 N ATOM 864 CA LEU A 67 -19.904 -4.447 -0.833 1.00 0.00 C ATOM 865 C LEU A 67 -19.011 -5.645 -0.515 1.00 0.00 C ATOM 866 O LEU A 67 -19.229 -6.746 -0.980 1.00 0.00 O ATOM 867 CB LEU A 67 -19.119 -3.411 -1.643 1.00 0.00 C ATOM 868 CG LEU A 67 -20.069 -2.370 -2.265 1.00 0.00 C ATOM 869 CD1 LEU A 67 -20.584 -2.889 -3.608 1.00 0.00 C ATOM 870 CD2 LEU A 67 -21.266 -2.097 -1.345 1.00 0.00 C ATOM 0 H LEU A 67 -19.585 -3.081 0.775 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.774 -4.820 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.396 -2.911 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.554 -3.910 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 67 -19.514 -1.442 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.256 -2.153 -4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.742 -3.059 -4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.121 -3.825 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -21.920 -1.359 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -21.820 -3.022 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -20.910 -1.716 -0.388 1.00 0.00 H new ATOM 882 N ASP A 68 -18.004 -5.427 0.281 1.00 0.00 N ATOM 883 CA ASP A 68 -17.077 -6.529 0.648 1.00 0.00 C ATOM 884 C ASP A 68 -17.640 -7.304 1.844 1.00 0.00 C ATOM 885 O ASP A 68 -17.075 -7.307 2.919 1.00 0.00 O ATOM 886 CB ASP A 68 -15.779 -5.814 1.022 1.00 0.00 C ATOM 887 CG ASP A 68 -14.745 -6.831 1.498 1.00 0.00 C ATOM 888 OD1 ASP A 68 -14.852 -7.983 1.111 1.00 0.00 O ATOM 889 OD2 ASP A 68 -13.861 -6.438 2.241 1.00 0.00 O ATOM 0 H ASP A 68 -17.782 -4.523 0.697 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.931 -7.253 -0.153 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.394 -5.266 0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.970 -5.082 1.807 1.00 0.00 H new ATOM 894 N GLU A 69 -18.761 -7.946 1.662 1.00 0.00 N ATOM 895 CA GLU A 69 -19.386 -8.709 2.784 1.00 0.00 C ATOM 896 C GLU A 69 -18.538 -9.928 3.166 1.00 0.00 C ATOM 897 O GLU A 69 -18.828 -10.614 4.126 1.00 0.00 O ATOM 898 CB GLU A 69 -20.743 -9.159 2.243 1.00 0.00 C ATOM 899 CG GLU A 69 -21.641 -7.939 2.032 1.00 0.00 C ATOM 900 CD GLU A 69 -22.859 -8.037 2.952 1.00 0.00 C ATOM 901 OE1 GLU A 69 -22.696 -7.821 4.141 1.00 0.00 O ATOM 902 OE2 GLU A 69 -23.934 -8.325 2.453 1.00 0.00 O ATOM 0 H GLU A 69 -19.275 -7.976 0.781 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.474 -8.100 3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.612 -9.694 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -21.212 -9.852 2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -21.086 -7.025 2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -21.961 -7.885 0.991 1.00 0.00 H new ATOM 909 N ASP A 70 -17.498 -10.211 2.431 1.00 0.00 N ATOM 910 CA ASP A 70 -16.656 -11.395 2.774 1.00 0.00 C ATOM 911 C ASP A 70 -15.167 -11.041 2.708 1.00 0.00 C ATOM 912 O ASP A 70 -14.318 -11.907 2.616 1.00 0.00 O ATOM 913 CB ASP A 70 -17.006 -12.449 1.723 1.00 0.00 C ATOM 914 CG ASP A 70 -17.698 -13.633 2.403 1.00 0.00 C ATOM 915 OD1 ASP A 70 -17.002 -14.437 3.003 1.00 0.00 O ATOM 916 OD2 ASP A 70 -18.911 -13.714 2.315 1.00 0.00 O ATOM 0 H ASP A 70 -17.195 -9.680 1.614 1.00 0.00 H new ATOM 0 HA ASP A 70 -16.845 -11.749 3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.659 -12.019 0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.103 -12.785 1.214 1.00 0.00 H new ATOM 921 N GLY A 71 -14.839 -9.780 2.758 1.00 0.00 N ATOM 922 CA GLY A 71 -13.403 -9.384 2.703 1.00 0.00 C ATOM 923 C GLY A 71 -12.829 -9.718 1.325 1.00 0.00 C ATOM 924 O GLY A 71 -11.631 -9.704 1.122 1.00 0.00 O ATOM 0 H GLY A 71 -15.501 -9.008 2.834 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.302 -8.317 2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.842 -9.906 3.478 1.00 0.00 H new ATOM 928 N GLU A 72 -13.671 -10.024 0.379 1.00 0.00 N ATOM 929 CA GLU A 72 -13.170 -10.366 -0.984 1.00 0.00 C ATOM 930 C GLU A 72 -12.574 -9.131 -1.668 1.00 0.00 C ATOM 931 O GLU A 72 -11.434 -9.137 -2.088 1.00 0.00 O ATOM 932 CB GLU A 72 -14.397 -10.870 -1.742 1.00 0.00 C ATOM 933 CG GLU A 72 -14.660 -12.331 -1.366 1.00 0.00 C ATOM 934 CD GLU A 72 -15.796 -12.888 -2.226 1.00 0.00 C ATOM 935 OE1 GLU A 72 -16.942 -12.703 -1.850 1.00 0.00 O ATOM 936 OE2 GLU A 72 -15.502 -13.492 -3.244 1.00 0.00 O ATOM 0 H GLU A 72 -14.685 -10.053 0.489 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.376 -11.112 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.266 -10.258 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.236 -10.782 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.756 -12.923 -1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.921 -12.404 -0.310 1.00 0.00 H new ATOM 943 N LYS A 73 -13.326 -8.069 -1.785 1.00 0.00 N ATOM 944 CA LYS A 73 -12.776 -6.849 -2.441 1.00 0.00 C ATOM 945 C LYS A 73 -11.596 -6.321 -1.624 1.00 0.00 C ATOM 946 O LYS A 73 -10.527 -6.074 -2.145 1.00 0.00 O ATOM 947 CB LYS A 73 -13.924 -5.838 -2.453 1.00 0.00 C ATOM 948 CG LYS A 73 -15.196 -6.498 -3.001 1.00 0.00 C ATOM 949 CD LYS A 73 -14.852 -7.352 -4.226 1.00 0.00 C ATOM 950 CE LYS A 73 -16.142 -7.792 -4.920 1.00 0.00 C ATOM 951 NZ LYS A 73 -16.885 -8.573 -3.892 1.00 0.00 N ATOM 0 H LYS A 73 -14.289 -7.994 -1.458 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.413 -7.045 -3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.103 -5.466 -1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.656 -4.978 -3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.655 -7.118 -2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.925 -5.734 -3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.231 -6.782 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.274 -8.225 -3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.721 -6.933 -5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.930 -8.399 -5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.553 -9.218 -4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.212 -9.125 -3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.410 -7.922 -3.273 1.00 0.00 H new ATOM 965 N GLU A 74 -11.780 -6.160 -0.345 1.00 0.00 N ATOM 966 CA GLU A 74 -10.667 -5.666 0.510 1.00 0.00 C ATOM 967 C GLU A 74 -9.446 -6.573 0.344 1.00 0.00 C ATOM 968 O GLU A 74 -8.324 -6.174 0.586 1.00 0.00 O ATOM 969 CB GLU A 74 -11.200 -5.755 1.939 1.00 0.00 C ATOM 970 CG GLU A 74 -10.066 -5.465 2.925 1.00 0.00 C ATOM 971 CD GLU A 74 -10.643 -4.876 4.214 1.00 0.00 C ATOM 972 OE1 GLU A 74 -11.584 -5.449 4.736 1.00 0.00 O ATOM 973 OE2 GLU A 74 -10.129 -3.862 4.659 1.00 0.00 O ATOM 0 H GLU A 74 -12.654 -6.349 0.146 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.359 -4.653 0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.011 -5.041 2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.612 -6.747 2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.519 -6.382 3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.355 -4.768 2.482 1.00 0.00 H new ATOM 980 N ALA A 75 -9.659 -7.794 -0.067 1.00 0.00 N ATOM 981 CA ALA A 75 -8.513 -8.729 -0.247 1.00 0.00 C ATOM 982 C ALA A 75 -7.542 -8.173 -1.288 1.00 0.00 C ATOM 983 O ALA A 75 -6.345 -8.293 -1.155 1.00 0.00 O ATOM 984 CB ALA A 75 -9.135 -10.036 -0.735 1.00 0.00 C ATOM 0 H ALA A 75 -10.576 -8.183 -0.285 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.947 -8.871 0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.350 -10.776 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.839 -10.405 0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.660 -9.861 -1.674 1.00 0.00 H new ATOM 990 N ARG A 76 -8.050 -7.565 -2.325 1.00 0.00 N ATOM 991 CA ARG A 76 -7.150 -7.001 -3.373 1.00 0.00 C ATOM 992 C ARG A 76 -6.223 -5.944 -2.765 1.00 0.00 C ATOM 993 O ARG A 76 -5.089 -5.790 -3.173 1.00 0.00 O ATOM 994 CB ARG A 76 -8.085 -6.366 -4.401 1.00 0.00 C ATOM 995 CG ARG A 76 -7.257 -5.814 -5.561 1.00 0.00 C ATOM 996 CD ARG A 76 -7.990 -4.630 -6.197 1.00 0.00 C ATOM 997 NE ARG A 76 -8.520 -5.157 -7.486 1.00 0.00 N ATOM 998 CZ ARG A 76 -9.808 -5.188 -7.703 1.00 0.00 C ATOM 999 NH1 ARG A 76 -10.431 -4.114 -8.104 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -10.474 -6.297 -7.523 1.00 0.00 N ATOM 0 H ARG A 76 -9.048 -7.434 -2.493 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.511 -7.763 -3.820 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.798 -7.105 -4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.664 -5.566 -3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.277 -5.498 -5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.090 -6.593 -6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.795 -4.272 -5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.316 -3.789 -6.361 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.876 -5.494 -8.201 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.912 -3.248 -8.249 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.437 -4.141 -8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.989 -7.139 -7.213 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.480 -6.321 -7.692 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.696 -5.217 -1.790 1.00 0.00 N ATOM 1015 CA LEU A 77 -5.840 -4.171 -1.154 1.00 0.00 C ATOM 1016 C LEU A 77 -4.736 -4.836 -0.333 1.00 0.00 C ATOM 1017 O LEU A 77 -3.613 -4.376 -0.289 1.00 0.00 O ATOM 1018 CB LEU A 77 -6.783 -3.383 -0.244 1.00 0.00 C ATOM 1019 CG LEU A 77 -7.862 -2.712 -1.094 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -8.983 -2.178 -0.197 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.254 -1.559 -1.891 1.00 0.00 C ATOM 0 H LEU A 77 -7.637 -5.301 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.355 -3.527 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.242 -4.049 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.225 -2.632 0.315 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.275 -3.450 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.746 -1.702 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.428 -3.003 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.574 -1.448 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.029 -1.086 -2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.830 -0.826 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.469 -1.942 -2.543 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.055 -5.917 0.318 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.038 -6.630 1.143 1.00 0.00 C ATOM 1035 C ILE A 78 -3.013 -7.324 0.238 1.00 0.00 C ATOM 1036 O ILE A 78 -1.840 -7.385 0.547 1.00 0.00 O ATOM 1037 CB ILE A 78 -4.839 -7.651 1.948 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -5.708 -6.912 2.968 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -3.883 -8.594 2.679 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -6.734 -7.876 3.567 1.00 0.00 C ATOM 0 H ILE A 78 -5.982 -6.342 0.315 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.474 -5.957 1.789 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.471 -8.232 1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.083 -6.494 3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.217 -6.076 2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.457 -9.321 3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.260 -9.115 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.249 -8.018 3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.351 -7.346 4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.367 -8.273 2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.216 -8.697 4.062 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.444 -7.836 -0.882 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.489 -8.508 -1.810 1.00 0.00 C ATOM 1054 C ARG A 79 -1.612 -7.452 -2.478 1.00 0.00 C ATOM 1055 O ARG A 79 -0.432 -7.648 -2.667 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.361 -9.222 -2.845 1.00 0.00 C ATOM 1057 CG ARG A 79 -2.469 -10.023 -3.796 1.00 0.00 C ATOM 1058 CD ARG A 79 -3.326 -11.005 -4.596 1.00 0.00 C ATOM 1059 NE ARG A 79 -2.928 -12.352 -4.102 1.00 0.00 N ATOM 1060 CZ ARG A 79 -2.831 -13.349 -4.937 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -3.829 -13.636 -5.728 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -1.735 -14.057 -4.983 1.00 0.00 N ATOM 0 H ARG A 79 -4.415 -7.819 -1.195 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.829 -9.209 -1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.067 -9.885 -2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.948 -8.495 -3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.943 -9.349 -4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.710 -10.564 -3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.389 -10.824 -4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.144 -10.907 -5.666 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.731 -12.495 -3.111 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.684 -13.081 -5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.754 -14.416 -6.381 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.955 -13.830 -4.366 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.659 -14.837 -5.636 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.176 -6.323 -2.817 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.355 -5.249 -3.443 1.00 0.00 C ATOM 1078 C ASN A 80 -0.365 -4.735 -2.403 1.00 0.00 C ATOM 1079 O ASN A 80 0.788 -4.486 -2.691 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.345 -4.151 -3.823 1.00 0.00 C ATOM 1081 CG ASN A 80 -2.355 -3.975 -5.341 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -1.925 -4.848 -6.069 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -2.826 -2.872 -5.851 1.00 0.00 N ATOM 0 H ASN A 80 -3.163 -6.100 -2.688 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.794 -5.591 -4.313 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.343 -4.409 -3.470 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.068 -3.214 -3.340 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -2.834 -2.741 -6.862 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.187 -2.140 -5.239 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.812 -4.600 -1.184 1.00 0.00 N ATOM 1091 CA LEU A 81 0.097 -4.133 -0.107 1.00 0.00 C ATOM 1092 C LEU A 81 1.249 -5.123 0.024 1.00 0.00 C ATOM 1093 O LEU A 81 2.389 -4.749 0.064 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.761 -4.119 1.161 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.505 -2.828 1.940 1.00 0.00 C ATOM 1096 CD1 LEU A 81 0.927 -2.830 2.474 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -0.699 -1.626 1.014 1.00 0.00 C ATOM 0 H LEU A 81 -1.769 -4.794 -0.890 1.00 0.00 H new ATOM 0 HA LEU A 81 0.526 -3.150 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.816 -4.194 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.524 -4.983 1.782 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.205 -2.763 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.110 -1.910 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.068 -3.686 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.626 -2.895 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.517 -0.706 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.001 -1.692 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.720 -1.623 0.631 1.00 0.00 H new ATOM 1109 N ASN A 82 0.948 -6.389 0.070 1.00 0.00 N ATOM 1110 CA ASN A 82 2.015 -7.423 0.175 1.00 0.00 C ATOM 1111 C ASN A 82 2.939 -7.346 -1.047 1.00 0.00 C ATOM 1112 O ASN A 82 4.141 -7.503 -0.945 1.00 0.00 O ATOM 1113 CB ASN A 82 1.255 -8.747 0.194 1.00 0.00 C ATOM 1114 CG ASN A 82 1.268 -9.328 1.608 1.00 0.00 C ATOM 1115 OD1 ASN A 82 2.316 -9.623 2.147 1.00 0.00 O ATOM 1116 ND2 ASN A 82 0.138 -9.506 2.234 1.00 0.00 N ATOM 0 H ASN A 82 -0.003 -6.757 0.039 1.00 0.00 H new ATOM 0 HA ASN A 82 2.645 -7.296 1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.228 -8.593 -0.137 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.712 -9.450 -0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.133 -9.893 3.178 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.741 -9.258 1.780 1.00 0.00 H new ATOM 1123 N VAL A 83 2.383 -7.090 -2.199 1.00 0.00 N ATOM 1124 CA VAL A 83 3.214 -6.984 -3.432 1.00 0.00 C ATOM 1125 C VAL A 83 4.233 -5.861 -3.250 1.00 0.00 C ATOM 1126 O VAL A 83 5.409 -6.017 -3.513 1.00 0.00 O ATOM 1127 CB VAL A 83 2.206 -6.654 -4.542 1.00 0.00 C ATOM 1128 CG1 VAL A 83 2.889 -5.880 -5.673 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.625 -7.954 -5.102 1.00 0.00 C ATOM 0 H VAL A 83 1.383 -6.949 -2.340 1.00 0.00 H new ATOM 0 HA VAL A 83 3.777 -7.889 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 83 1.410 -6.039 -4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.160 -5.654 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.301 -4.950 -5.281 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.693 -6.484 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.909 -7.723 -5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.429 -8.566 -5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.122 -8.501 -4.304 1.00 0.00 H new ATOM 1139 N ILE A 84 3.782 -4.738 -2.770 1.00 0.00 N ATOM 1140 CA ILE A 84 4.704 -3.597 -2.528 1.00 0.00 C ATOM 1141 C ILE A 84 5.715 -4.017 -1.462 1.00 0.00 C ATOM 1142 O ILE A 84 6.909 -3.964 -1.657 1.00 0.00 O ATOM 1143 CB ILE A 84 3.774 -2.486 -2.027 1.00 0.00 C ATOM 1144 CG1 ILE A 84 2.851 -2.068 -3.174 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.586 -1.277 -1.558 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.604 -1.382 -2.612 1.00 0.00 C ATOM 0 H ILE A 84 2.806 -4.561 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 84 5.275 -3.276 -3.399 1.00 0.00 H new ATOM 0 HB ILE A 84 3.189 -2.856 -1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.377 -1.392 -3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.564 -2.942 -3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.909 -0.499 -1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.248 -1.576 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.180 -0.893 -2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.950 -1.086 -3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.073 -2.072 -1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.899 -0.498 -2.046 1.00 0.00 H new ATOM 1158 N LEU A 85 5.227 -4.470 -0.351 1.00 0.00 N ATOM 1159 CA LEU A 85 6.115 -4.942 0.738 1.00 0.00 C ATOM 1160 C LEU A 85 7.040 -6.030 0.202 1.00 0.00 C ATOM 1161 O LEU A 85 8.070 -6.324 0.770 1.00 0.00 O ATOM 1162 CB LEU A 85 5.149 -5.512 1.775 1.00 0.00 C ATOM 1163 CG LEU A 85 4.283 -4.381 2.317 1.00 0.00 C ATOM 1164 CD1 LEU A 85 3.433 -4.898 3.477 1.00 0.00 C ATOM 1165 CD2 LEU A 85 5.182 -3.244 2.792 1.00 0.00 C ATOM 0 H LEU A 85 4.230 -4.535 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 85 6.751 -4.160 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.524 -6.283 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.703 -5.985 2.586 1.00 0.00 H new ATOM 0 HG LEU A 85 3.622 -4.013 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.814 -4.088 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.793 -5.708 3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.084 -5.267 4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.567 -2.432 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.843 -3.607 3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.779 -2.879 1.956 1.00 0.00 H new ATOM 1177 N ALA A 86 6.677 -6.625 -0.899 1.00 0.00 N ATOM 1178 CA ALA A 86 7.538 -7.688 -1.493 1.00 0.00 C ATOM 1179 C ALA A 86 8.578 -7.043 -2.412 1.00 0.00 C ATOM 1180 O ALA A 86 9.684 -7.524 -2.563 1.00 0.00 O ATOM 1181 CB ALA A 86 6.584 -8.570 -2.299 1.00 0.00 C ATOM 0 H ALA A 86 5.821 -6.422 -1.415 1.00 0.00 H new ATOM 0 HA ALA A 86 8.077 -8.263 -0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.145 -9.378 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.829 -8.990 -1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.098 -7.971 -3.069 1.00 0.00 H new ATOM 1187 N LYS A 87 8.220 -5.946 -3.020 1.00 0.00 N ATOM 1188 CA LYS A 87 9.163 -5.235 -3.932 1.00 0.00 C ATOM 1189 C LYS A 87 10.112 -4.355 -3.123 1.00 0.00 C ATOM 1190 O LYS A 87 11.139 -3.918 -3.605 1.00 0.00 O ATOM 1191 CB LYS A 87 8.265 -4.349 -4.791 1.00 0.00 C ATOM 1192 CG LYS A 87 9.104 -3.668 -5.874 1.00 0.00 C ATOM 1193 CD LYS A 87 8.203 -2.805 -6.756 1.00 0.00 C ATOM 1194 CE LYS A 87 8.291 -3.286 -8.206 1.00 0.00 C ATOM 1195 NZ LYS A 87 7.064 -2.755 -8.862 1.00 0.00 N ATOM 0 H LYS A 87 7.305 -5.506 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 87 9.770 -5.925 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.477 -4.947 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.775 -3.599 -4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.878 -3.052 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.612 -4.418 -6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.172 -2.861 -6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.506 -1.760 -6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.192 -2.912 -8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.328 -4.374 -8.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.052 -3.043 -9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.222 -3.133 -8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.060 -1.717 -8.801 1.00 0.00 H new ATOM 1209 N TYR A 88 9.761 -4.072 -1.903 1.00 0.00 N ATOM 1210 CA TYR A 88 10.620 -3.199 -1.061 1.00 0.00 C ATOM 1211 C TYR A 88 10.868 -3.843 0.298 1.00 0.00 C ATOM 1212 O TYR A 88 11.582 -3.308 1.124 1.00 0.00 O ATOM 1213 CB TYR A 88 9.802 -1.922 -0.865 1.00 0.00 C ATOM 1214 CG TYR A 88 9.166 -1.497 -2.162 1.00 0.00 C ATOM 1215 CD1 TYR A 88 9.959 -1.010 -3.206 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.781 -1.591 -2.317 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.362 -0.614 -4.406 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.183 -1.197 -3.519 1.00 0.00 C ATOM 1219 CZ TYR A 88 7.973 -0.707 -4.565 1.00 0.00 C ATOM 1220 OH TYR A 88 7.382 -0.316 -5.749 1.00 0.00 O ATOM 0 H TYR A 88 8.912 -4.409 -1.450 1.00 0.00 H new ATOM 0 HA TYR A 88 11.591 -3.020 -1.524 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.031 -2.089 -0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.445 -1.125 -0.491 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.030 -0.940 -3.085 1.00 0.00 H new ATOM 0 HD2 TYR A 88 7.172 -1.968 -1.509 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.973 -0.236 -5.212 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.112 -1.271 -3.639 1.00 0.00 H new ATOM 0 HH TYR A 88 6.438 -0.578 -5.745 1.00 0.00 H new ATOM 1230 N GLY A 89 10.264 -4.966 0.558 1.00 0.00 N ATOM 1231 CA GLY A 89 10.454 -5.596 1.892 1.00 0.00 C ATOM 1232 C GLY A 89 10.225 -4.512 2.944 1.00 0.00 C ATOM 1233 O GLY A 89 10.917 -4.433 3.940 1.00 0.00 O ATOM 0 H GLY A 89 9.654 -5.470 -0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.754 -6.420 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.458 -6.012 1.981 1.00 0.00 H new ATOM 1237 N LEU A 90 9.258 -3.660 2.710 1.00 0.00 N ATOM 1238 CA LEU A 90 8.973 -2.558 3.668 1.00 0.00 C ATOM 1239 C LEU A 90 8.536 -3.132 5.018 1.00 0.00 C ATOM 1240 O LEU A 90 8.918 -2.646 6.062 1.00 0.00 O ATOM 1241 CB LEU A 90 7.836 -1.771 3.017 1.00 0.00 C ATOM 1242 CG LEU A 90 8.401 -0.608 2.198 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.458 -0.305 1.027 1.00 0.00 C ATOM 1244 CD2 LEU A 90 8.521 0.632 3.087 1.00 0.00 C ATOM 0 H LEU A 90 8.652 -3.684 1.890 1.00 0.00 H new ATOM 0 HA LEU A 90 9.844 -1.933 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.251 -2.428 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.161 -1.391 3.784 1.00 0.00 H new ATOM 0 HG LEU A 90 9.385 -0.877 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.858 0.523 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.370 -1.187 0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.475 -0.035 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.923 1.460 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.537 0.902 3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.189 0.418 3.922 1.00 0.00 H new ATOM 1256 N ASP A 91 7.743 -4.166 5.002 1.00 0.00 N ATOM 1257 CA ASP A 91 7.286 -4.774 6.284 1.00 0.00 C ATOM 1258 C ASP A 91 8.272 -5.857 6.732 1.00 0.00 C ATOM 1259 O ASP A 91 8.390 -6.158 7.905 1.00 0.00 O ATOM 1260 CB ASP A 91 5.920 -5.383 5.970 1.00 0.00 C ATOM 1261 CG ASP A 91 4.844 -4.699 6.815 1.00 0.00 C ATOM 1262 OD1 ASP A 91 5.205 -3.966 7.722 1.00 0.00 O ATOM 1263 OD2 ASP A 91 3.675 -4.920 6.543 1.00 0.00 O ATOM 0 H ASP A 91 7.391 -4.617 4.158 1.00 0.00 H new ATOM 0 HA ASP A 91 7.227 -4.045 7.092 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.693 -5.265 4.910 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.932 -6.453 6.176 1.00 0.00 H new ATOM 1268 N GLY A 92 8.981 -6.445 5.807 1.00 0.00 N ATOM 1269 CA GLY A 92 9.960 -7.508 6.176 1.00 0.00 C ATOM 1270 C GLY A 92 9.218 -8.814 6.463 1.00 0.00 C ATOM 1271 O GLY A 92 8.201 -8.830 7.126 1.00 0.00 O ATOM 0 H GLY A 92 8.925 -6.235 4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.675 -7.655 5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.530 -7.202 7.053 1.00 0.00 H new ATOM 1275 N LYS A 93 9.725 -9.914 5.973 1.00 0.00 N ATOM 1276 CA LYS A 93 9.051 -11.221 6.220 1.00 0.00 C ATOM 1277 C LYS A 93 9.970 -12.376 5.816 1.00 0.00 C ATOM 1278 O LYS A 93 10.575 -13.023 6.648 1.00 0.00 O ATOM 1279 CB LYS A 93 7.801 -11.199 5.340 1.00 0.00 C ATOM 1280 CG LYS A 93 7.234 -12.615 5.226 1.00 0.00 C ATOM 1281 CD LYS A 93 5.713 -12.571 5.391 1.00 0.00 C ATOM 1282 CE LYS A 93 5.051 -13.303 4.221 1.00 0.00 C ATOM 1283 NZ LYS A 93 5.325 -12.451 3.030 1.00 0.00 N ATOM 0 H LYS A 93 10.576 -9.963 5.413 1.00 0.00 H new ATOM 0 HA LYS A 93 8.805 -11.364 7.272 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.054 -10.530 5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.046 -10.813 4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.493 -13.045 4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.675 -13.257 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.425 -13.036 6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.370 -11.537 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.466 -14.303 4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.980 -13.421 4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.535 -12.529 2.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.429 -11.460 3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.203 -12.768 2.571 1.00 0.00 H new ATOM 1297 N LYS A 94 10.077 -12.643 4.544 1.00 0.00 N ATOM 1298 CA LYS A 94 10.954 -13.759 4.090 1.00 0.00 C ATOM 1299 C LYS A 94 11.011 -13.797 2.561 1.00 0.00 C ATOM 1300 O LYS A 94 10.464 -14.681 1.931 1.00 0.00 O ATOM 1301 CB LYS A 94 10.293 -15.025 4.634 1.00 0.00 C ATOM 1302 CG LYS A 94 11.367 -16.065 4.956 1.00 0.00 C ATOM 1303 CD LYS A 94 10.755 -17.466 4.903 1.00 0.00 C ATOM 1304 CE LYS A 94 11.867 -18.513 4.978 1.00 0.00 C ATOM 1305 NZ LYS A 94 12.250 -18.767 3.561 1.00 0.00 N ATOM 0 H LYS A 94 9.596 -12.138 3.800 1.00 0.00 H new ATOM 0 HA LYS A 94 11.980 -13.650 4.443 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.718 -14.791 5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.592 -15.425 3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.188 -15.988 4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.785 -15.877 5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.058 -17.601 5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.185 -17.591 3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.715 -18.148 5.557 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.519 -19.425 5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.010 -19.476 3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.424 -19.120 3.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.583 -17.882 3.128 1.00 0.00 H new ATOM 1319 N ASP A 95 11.672 -12.847 1.958 1.00 0.00 N ATOM 1320 CA ASP A 95 11.765 -12.831 0.470 1.00 0.00 C ATOM 1321 C ASP A 95 13.168 -12.398 0.037 1.00 0.00 C ATOM 1322 O ASP A 95 13.507 -11.231 0.071 1.00 0.00 O ATOM 1323 CB ASP A 95 10.723 -11.808 0.018 1.00 0.00 C ATOM 1324 CG ASP A 95 10.308 -12.106 -1.424 1.00 0.00 C ATOM 1325 OD1 ASP A 95 11.046 -12.805 -2.099 1.00 0.00 O ATOM 1326 OD2 ASP A 95 9.259 -11.633 -1.828 1.00 0.00 O ATOM 0 H ASP A 95 12.152 -12.081 2.431 1.00 0.00 H new ATOM 0 HA ASP A 95 11.585 -13.813 0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.853 -11.846 0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.132 -10.800 0.089 1.00 0.00 H new ATOM 1331 N ALA A 96 13.987 -13.329 -0.368 1.00 0.00 N ATOM 1332 CA ALA A 96 15.369 -12.971 -0.799 1.00 0.00 C ATOM 1333 C ALA A 96 15.441 -12.883 -2.327 1.00 0.00 C ATOM 1334 O ALA A 96 16.505 -12.776 -2.901 1.00 0.00 O ATOM 1335 CB ALA A 96 16.250 -14.110 -0.286 1.00 0.00 C ATOM 0 H ALA A 96 13.760 -14.322 -0.419 1.00 0.00 H new ATOM 0 HA ALA A 96 15.686 -12.003 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 96 17.287 -13.921 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 96 16.170 -14.171 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.922 -15.051 -0.728 1.00 0.00 H new ATOM 1341 N ARG A 97 14.316 -12.926 -2.987 1.00 0.00 N ATOM 1342 CA ARG A 97 14.322 -12.845 -4.476 1.00 0.00 C ATOM 1343 C ARG A 97 12.996 -12.269 -4.981 1.00 0.00 C ATOM 1344 O ARG A 97 12.813 -11.068 -4.868 1.00 0.00 O ATOM 1345 CB ARG A 97 14.497 -14.288 -4.951 1.00 0.00 C ATOM 1346 CG ARG A 97 15.804 -14.413 -5.734 1.00 0.00 C ATOM 1347 CD ARG A 97 16.419 -15.792 -5.482 1.00 0.00 C ATOM 1348 NE ARG A 97 17.301 -16.041 -6.656 1.00 0.00 N ATOM 1349 CZ ARG A 97 17.024 -17.011 -7.484 1.00 0.00 C ATOM 1350 NH1 ARG A 97 16.228 -16.800 -8.495 1.00 0.00 N ATOM 1351 NH2 ARG A 97 17.545 -18.194 -7.300 1.00 0.00 N ATOM 1352 OXT ARG A 97 12.187 -13.039 -5.470 1.00 0.00 O ATOM 0 H ARG A 97 13.394 -13.014 -2.560 1.00 0.00 H new ATOM 0 HA ARG A 97 15.112 -12.195 -4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 97 14.507 -14.965 -4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 97 13.655 -14.580 -5.579 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.617 -14.275 -6.799 1.00 0.00 H new ATOM 0 HG3 ARG A 97 16.500 -13.631 -5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.987 -15.807 -4.552 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.648 -16.558 -5.398 1.00 0.00 H new ATOM 0 HE ARG A 97 18.120 -15.454 -6.813 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.821 -15.876 -8.639 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.012 -17.559 -9.141 1.00 0.00 H new ATOM 0 HH21 ARG A 97 18.168 -18.360 -6.510 1.00 0.00 H new ATOM 0 HH22 ARG A 97 17.329 -18.953 -7.947 1.00 0.00 H new TER 1366 ARG A 97