USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1009 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 8 MET CE :methyl -161:sc= -1.85 (180deg=-2.78) USER MOD Set 1.2: A 113 GLN : amide:sc= -0.443 K(o=-2.3,f=-4.8!) USER MOD Single : A 13 ASN : amide:sc= -1.02 K(o=-1,f=-0.51) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.213 K(o=-0.21,f=-2.2!) USER MOD Single : A 27 LYS NZ :NH3+ -114:sc= -0.404 (180deg=-2.28!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 36 SER OG : rot 41:sc=-0.00817 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 123:sc= 0.473 USER MOD Single : A 41 THR OG1 : rot 133:sc= -0.305 USER MOD Single : A 42 GLN : amide:sc= -0.626 K(o=-0.63,f=-1.2) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 145:sc= -0.28 USER MOD Single : A 52 SER OG : rot 180:sc= 0.106 USER MOD Single : A 53 LYS NZ :NH3+ -126:sc= -0.353 (180deg=-1.48!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.691! C(o=-0.69!,f=-10!) USER MOD Single : A 71 LYS NZ :NH3+ 167:sc= 0.855 (180deg=0.728) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -2.29! C(o=-2.3!,f=-3.1!) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0586 USER MOD Single : A 83 TYR OH : rot -100:sc= 0.553 USER MOD Single : A 88 ASN : amide:sc= -0.476 K(o=-0.48,f=-3.1) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.17 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 175:sc= -0.685 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot -11:sc= 0.842 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 ASN : amide:sc= -2.91! C(o=-2.9!,f=-18!) USER MOD Single : A 112 ASN : amide:sc= -0.423 K(o=-0.42,f=-2.3) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl -132:sc= -1.91! (180deg=-4.04!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -15.171 5.242 6.554 1.00 0.00 N ATOM 60 CA GLY A 7 -14.196 4.202 6.271 1.00 0.00 C ATOM 61 C GLY A 7 -13.146 4.692 5.273 1.00 0.00 C ATOM 62 O GLY A 7 -12.124 5.254 5.667 1.00 0.00 O ATOM 0 HA2 GLY A 7 -13.708 3.895 7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.702 3.324 5.870 1.00 0.00 H new ATOM 66 N MET A 8 -13.433 4.463 4.000 1.00 0.00 N ATOM 67 CA MET A 8 -12.526 4.875 2.943 1.00 0.00 C ATOM 68 C MET A 8 -12.317 6.390 2.957 1.00 0.00 C ATOM 69 O MET A 8 -11.183 6.865 2.955 1.00 0.00 O ATOM 70 CB MET A 8 -13.096 4.451 1.587 1.00 0.00 C ATOM 71 CG MET A 8 -12.162 3.462 0.885 1.00 0.00 C ATOM 72 SD MET A 8 -10.519 4.149 0.771 1.00 0.00 S ATOM 73 CE MET A 8 -9.552 2.722 1.235 1.00 0.00 C ATOM 0 H MET A 8 -14.281 3.997 3.677 1.00 0.00 H new ATOM 0 HA MET A 8 -11.562 4.393 3.110 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.076 3.995 1.727 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.240 5.330 0.958 1.00 0.00 H new ATOM 0 HG2 MET A 8 -12.134 2.522 1.436 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.541 3.237 -0.112 1.00 0.00 H new ATOM 0 HE1 MET A 8 -8.556 3.042 1.543 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.039 2.206 2.062 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.469 2.046 0.384 1.00 0.00 H new ATOM 83 N GLU A 9 -13.432 7.108 2.972 1.00 0.00 N ATOM 84 CA GLU A 9 -13.385 8.561 2.988 1.00 0.00 C ATOM 85 C GLU A 9 -12.551 9.053 4.172 1.00 0.00 C ATOM 86 O GLU A 9 -12.127 10.207 4.200 1.00 0.00 O ATOM 87 CB GLU A 9 -14.796 9.153 3.026 1.00 0.00 C ATOM 88 CG GLU A 9 -14.981 10.199 1.925 1.00 0.00 C ATOM 89 CD GLU A 9 -16.409 10.749 1.925 1.00 0.00 C ATOM 90 OE1 GLU A 9 -17.308 9.990 1.505 1.00 0.00 O ATOM 91 OE2 GLU A 9 -16.568 11.915 2.346 1.00 0.00 O ATOM 0 H GLU A 9 -14.372 6.711 2.973 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.908 8.901 2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.531 8.358 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.977 9.608 4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.273 11.015 2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.759 9.754 0.955 1.00 0.00 H new ATOM 98 N ALA A 10 -12.340 8.152 5.121 1.00 0.00 N ATOM 99 CA ALA A 10 -11.564 8.481 6.304 1.00 0.00 C ATOM 100 C ALA A 10 -10.143 7.936 6.145 1.00 0.00 C ATOM 101 O ALA A 10 -9.171 8.678 6.278 1.00 0.00 O ATOM 102 CB ALA A 10 -12.265 7.926 7.545 1.00 0.00 C ATOM 0 H ALA A 10 -12.693 7.195 5.094 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.491 9.562 6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.683 8.173 8.433 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.259 8.366 7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.354 6.843 7.459 1.00 0.00 H new ATOM 108 N VAL A 11 -10.068 6.643 5.862 1.00 0.00 N ATOM 109 CA VAL A 11 -8.783 5.991 5.683 1.00 0.00 C ATOM 110 C VAL A 11 -8.010 6.693 4.564 1.00 0.00 C ATOM 111 O VAL A 11 -6.802 6.902 4.675 1.00 0.00 O ATOM 112 CB VAL A 11 -8.986 4.497 5.424 1.00 0.00 C ATOM 113 CG1 VAL A 11 -7.725 3.867 4.826 1.00 0.00 C ATOM 114 CG2 VAL A 11 -9.409 3.770 6.702 1.00 0.00 C ATOM 0 H VAL A 11 -10.876 6.031 5.753 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.184 6.071 6.590 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.791 4.390 4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.897 2.805 4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.487 4.356 3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.893 3.991 5.519 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.546 2.710 6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.637 3.890 7.462 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.346 4.191 7.067 1.00 0.00 H new ATOM 124 N LEU A 12 -8.738 7.037 3.512 1.00 0.00 N ATOM 125 CA LEU A 12 -8.136 7.710 2.374 1.00 0.00 C ATOM 126 C LEU A 12 -7.789 9.148 2.763 1.00 0.00 C ATOM 127 O LEU A 12 -6.879 9.747 2.192 1.00 0.00 O ATOM 128 CB LEU A 12 -9.046 7.607 1.148 1.00 0.00 C ATOM 129 CG LEU A 12 -8.342 7.400 -0.195 1.00 0.00 C ATOM 130 CD1 LEU A 12 -7.332 6.254 -0.114 1.00 0.00 C ATOM 131 CD2 LEU A 12 -9.358 7.191 -1.320 1.00 0.00 C ATOM 0 H LEU A 12 -9.739 6.862 3.424 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.203 7.222 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.739 6.780 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.643 8.517 1.086 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.783 8.305 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.846 6.128 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.581 6.484 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.848 5.332 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.832 7.046 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.964 6.311 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.003 8.066 -1.395 1.00 0.00 H new ATOM 143 N ASN A 13 -8.535 9.662 3.731 1.00 0.00 N ATOM 144 CA ASN A 13 -8.317 11.019 4.203 1.00 0.00 C ATOM 145 C ASN A 13 -7.163 11.026 5.207 1.00 0.00 C ATOM 146 O ASN A 13 -6.076 11.518 4.905 1.00 0.00 O ATOM 147 CB ASN A 13 -9.561 11.562 4.909 1.00 0.00 C ATOM 148 CG ASN A 13 -10.344 12.504 3.993 1.00 0.00 C ATOM 149 OD1 ASN A 13 -10.638 13.639 4.331 1.00 0.00 O ATOM 150 ND2 ASN A 13 -10.664 11.972 2.817 1.00 0.00 N ATOM 0 H ASN A 13 -9.291 9.163 4.201 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.090 11.644 3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -10.200 10.734 5.216 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.267 12.091 5.815 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.187 12.521 2.134 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.387 11.015 2.598 1.00 0.00 H new ATOM 157 N GLU A 14 -7.436 10.474 6.380 1.00 0.00 N ATOM 158 CA GLU A 14 -6.434 10.411 7.429 1.00 0.00 C ATOM 159 C GLU A 14 -5.059 10.103 6.833 1.00 0.00 C ATOM 160 O GLU A 14 -4.887 9.096 6.149 1.00 0.00 O ATOM 161 CB GLU A 14 -6.815 9.376 8.490 1.00 0.00 C ATOM 162 CG GLU A 14 -6.594 9.928 9.900 1.00 0.00 C ATOM 163 CD GLU A 14 -6.119 8.828 10.851 1.00 0.00 C ATOM 164 OE1 GLU A 14 -6.518 7.667 10.621 1.00 0.00 O ATOM 165 OE2 GLU A 14 -5.366 9.173 11.787 1.00 0.00 O ATOM 0 H GLU A 14 -8.338 10.066 6.627 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.387 11.384 7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.860 9.092 8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.220 8.473 8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.857 10.730 9.869 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.521 10.362 10.274 1.00 0.00 H new ATOM 172 N LEU A 15 -4.115 10.990 7.115 1.00 0.00 N ATOM 173 CA LEU A 15 -2.761 10.826 6.614 1.00 0.00 C ATOM 174 C LEU A 15 -1.913 10.121 7.673 1.00 0.00 C ATOM 175 O LEU A 15 -2.340 9.972 8.818 1.00 0.00 O ATOM 176 CB LEU A 15 -2.190 12.173 6.165 1.00 0.00 C ATOM 177 CG LEU A 15 -3.020 12.945 5.138 1.00 0.00 C ATOM 178 CD1 LEU A 15 -2.527 14.388 5.008 1.00 0.00 C ATOM 179 CD2 LEU A 15 -3.033 12.222 3.789 1.00 0.00 C ATOM 0 H LEU A 15 -4.261 11.824 7.684 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.756 10.192 5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.062 12.802 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.198 12.003 5.747 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.050 12.986 5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.134 14.915 4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.610 14.889 5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.485 14.389 4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.630 12.792 3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.013 12.130 3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.465 11.229 3.913 1.00 0.00 H new ATOM 191 N VAL A 16 -0.727 9.704 7.254 1.00 0.00 N ATOM 192 CA VAL A 16 0.185 9.017 8.152 1.00 0.00 C ATOM 193 C VAL A 16 1.040 10.048 8.891 1.00 0.00 C ATOM 194 O VAL A 16 1.328 11.118 8.357 1.00 0.00 O ATOM 195 CB VAL A 16 1.019 7.997 7.374 1.00 0.00 C ATOM 196 CG1 VAL A 16 2.338 8.613 6.903 1.00 0.00 C ATOM 197 CG2 VAL A 16 1.267 6.740 8.209 1.00 0.00 C ATOM 0 H VAL A 16 -0.377 9.829 6.304 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.371 8.456 8.903 1.00 0.00 H new ATOM 0 HB VAL A 16 0.452 7.704 6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.912 7.867 6.353 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.131 9.463 6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.912 8.948 7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.862 6.032 7.632 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.803 7.008 9.119 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.313 6.283 8.471 1.00 0.00 H new ATOM 207 N SER A 17 1.423 9.690 10.108 1.00 0.00 N ATOM 208 CA SER A 17 2.240 10.572 10.926 1.00 0.00 C ATOM 209 C SER A 17 3.718 10.209 10.769 1.00 0.00 C ATOM 210 O SER A 17 4.062 9.038 10.620 1.00 0.00 O ATOM 211 CB SER A 17 1.828 10.497 12.397 1.00 0.00 C ATOM 212 OG SER A 17 0.425 10.299 12.549 1.00 0.00 O ATOM 0 H SER A 17 1.183 8.801 10.548 1.00 0.00 H new ATOM 0 HA SER A 17 2.085 11.596 10.586 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.364 9.681 12.882 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.121 11.417 12.903 1.00 0.00 H new ATOM 0 HG SER A 17 0.202 10.255 13.502 1.00 0.00 H new ATOM 218 N VAL A 18 4.554 11.237 10.810 1.00 0.00 N ATOM 219 CA VAL A 18 5.988 11.042 10.674 1.00 0.00 C ATOM 220 C VAL A 18 6.464 10.045 11.732 1.00 0.00 C ATOM 221 O VAL A 18 7.331 9.215 11.463 1.00 0.00 O ATOM 222 CB VAL A 18 6.709 12.389 10.753 1.00 0.00 C ATOM 223 CG1 VAL A 18 8.216 12.215 10.557 1.00 0.00 C ATOM 224 CG2 VAL A 18 6.135 13.379 9.738 1.00 0.00 C ATOM 0 H VAL A 18 4.266 12.207 10.935 1.00 0.00 H new ATOM 0 HA VAL A 18 6.226 10.619 9.698 1.00 0.00 H new ATOM 0 HB VAL A 18 6.545 12.799 11.750 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.705 13.187 10.618 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.611 11.561 11.334 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.407 11.773 9.579 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.665 14.328 9.815 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.254 12.978 8.731 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.076 13.537 9.943 1.00 0.00 H new ATOM 234 N GLU A 19 5.876 10.160 12.915 1.00 0.00 N ATOM 235 CA GLU A 19 6.230 9.279 14.015 1.00 0.00 C ATOM 236 C GLU A 19 6.179 7.818 13.563 1.00 0.00 C ATOM 237 O GLU A 19 7.160 7.088 13.697 1.00 0.00 O ATOM 238 CB GLU A 19 5.317 9.514 15.220 1.00 0.00 C ATOM 239 CG GLU A 19 6.062 10.244 16.339 1.00 0.00 C ATOM 240 CD GLU A 19 5.687 9.675 17.709 1.00 0.00 C ATOM 241 OE1 GLU A 19 5.732 8.433 17.840 1.00 0.00 O ATOM 242 OE2 GLU A 19 5.364 10.495 18.595 1.00 0.00 O ATOM 0 H GLU A 19 5.157 10.850 13.135 1.00 0.00 H new ATOM 0 HA GLU A 19 7.250 9.507 14.324 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.449 10.099 14.915 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.944 8.559 15.590 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.137 10.152 16.185 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.825 11.307 16.305 1.00 0.00 H new ATOM 249 N ASP A 20 5.025 7.435 13.038 1.00 0.00 N ATOM 250 CA ASP A 20 4.832 6.074 12.566 1.00 0.00 C ATOM 251 C ASP A 20 5.775 5.808 11.391 1.00 0.00 C ATOM 252 O ASP A 20 6.651 4.949 11.476 1.00 0.00 O ATOM 253 CB ASP A 20 3.398 5.858 12.079 1.00 0.00 C ATOM 254 CG ASP A 20 2.436 5.297 13.129 1.00 0.00 C ATOM 255 OD1 ASP A 20 2.917 5.026 14.251 1.00 0.00 O ATOM 256 OD2 ASP A 20 1.243 5.153 12.787 1.00 0.00 O ATOM 0 H ASP A 20 4.214 8.043 12.929 1.00 0.00 H new ATOM 0 HA ASP A 20 5.037 5.397 13.396 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.005 6.809 11.719 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.418 5.179 11.227 1.00 0.00 H new ATOM 261 N LEU A 21 5.564 6.562 10.322 1.00 0.00 N ATOM 262 CA LEU A 21 6.384 6.419 9.131 1.00 0.00 C ATOM 263 C LEU A 21 7.847 6.241 9.543 1.00 0.00 C ATOM 264 O LEU A 21 8.596 5.518 8.888 1.00 0.00 O ATOM 265 CB LEU A 21 6.153 7.592 8.176 1.00 0.00 C ATOM 266 CG LEU A 21 6.729 7.435 6.768 1.00 0.00 C ATOM 267 CD1 LEU A 21 8.255 7.529 6.785 1.00 0.00 C ATOM 268 CD2 LEU A 21 6.242 6.137 6.119 1.00 0.00 C ATOM 0 H LEU A 21 4.837 7.274 10.256 1.00 0.00 H new ATOM 0 HA LEU A 21 6.097 5.526 8.576 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.079 7.759 8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.581 8.489 8.624 1.00 0.00 H new ATOM 0 HG LEU A 21 6.363 8.259 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.638 7.414 5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.555 8.500 7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.661 6.740 7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.666 6.049 5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.559 5.287 6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.154 6.149 6.052 1.00 0.00 H new ATOM 280 N LYS A 22 8.209 6.912 10.627 1.00 0.00 N ATOM 281 CA LYS A 22 9.568 6.836 11.134 1.00 0.00 C ATOM 282 C LYS A 22 9.765 5.503 11.857 1.00 0.00 C ATOM 283 O LYS A 22 10.583 4.682 11.444 1.00 0.00 O ATOM 284 CB LYS A 22 9.886 8.058 11.998 1.00 0.00 C ATOM 285 CG LYS A 22 10.191 9.280 11.130 1.00 0.00 C ATOM 286 CD LYS A 22 11.678 9.343 10.775 1.00 0.00 C ATOM 287 CE LYS A 22 12.143 10.792 10.615 1.00 0.00 C ATOM 288 NZ LYS A 22 13.060 11.167 11.714 1.00 0.00 N ATOM 0 H LYS A 22 7.585 7.510 11.168 1.00 0.00 H new ATOM 0 HA LYS A 22 10.283 6.861 10.312 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.042 8.274 12.653 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.740 7.841 12.640 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.597 9.239 10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.901 10.188 11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.263 8.854 11.554 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.858 8.795 9.850 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.646 10.915 9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.280 11.458 10.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.366 12.153 11.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.568 11.069 12.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.892 10.543 11.701 1.00 0.00 H new ATOM 302 N ASN A 23 9.001 5.327 12.926 1.00 0.00 N ATOM 303 CA ASN A 23 9.081 4.107 13.710 1.00 0.00 C ATOM 304 C ASN A 23 9.042 2.899 12.773 1.00 0.00 C ATOM 305 O ASN A 23 9.750 1.917 12.990 1.00 0.00 O ATOM 306 CB ASN A 23 7.900 3.995 14.676 1.00 0.00 C ATOM 307 CG ASN A 23 8.206 4.698 16.001 1.00 0.00 C ATOM 308 OD1 ASN A 23 9.346 4.961 16.345 1.00 0.00 O ATOM 309 ND2 ASN A 23 7.126 4.988 16.721 1.00 0.00 N ATOM 0 H ASN A 23 8.324 6.009 13.267 1.00 0.00 H new ATOM 0 HA ASN A 23 10.011 4.132 14.278 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.012 4.436 14.223 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.675 2.945 14.861 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.224 5.459 17.620 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.200 4.739 16.374 1.00 0.00 H new ATOM 316 N PHE A 24 8.206 3.011 11.751 1.00 0.00 N ATOM 317 CA PHE A 24 8.065 1.939 10.780 1.00 0.00 C ATOM 318 C PHE A 24 9.235 1.935 9.794 1.00 0.00 C ATOM 319 O PHE A 24 9.578 0.893 9.238 1.00 0.00 O ATOM 320 CB PHE A 24 6.768 2.201 10.011 1.00 0.00 C ATOM 321 CG PHE A 24 5.504 1.770 10.758 1.00 0.00 C ATOM 322 CD1 PHE A 24 5.220 2.302 11.977 1.00 0.00 C ATOM 323 CD2 PHE A 24 4.664 0.856 10.203 1.00 0.00 C ATOM 324 CE1 PHE A 24 4.047 1.902 12.671 1.00 0.00 C ATOM 325 CE2 PHE A 24 3.491 0.457 10.896 1.00 0.00 C ATOM 326 CZ PHE A 24 3.208 0.988 12.115 1.00 0.00 C ATOM 0 H PHE A 24 7.620 3.827 11.574 1.00 0.00 H new ATOM 0 HA PHE A 24 8.050 0.975 11.289 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.700 3.265 9.786 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.811 1.676 9.057 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.887 3.029 12.417 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.889 0.434 9.235 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.822 2.324 13.639 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.823 -0.268 10.455 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.316 0.684 12.642 1.00 0.00 H new ATOM 336 N GLU A 25 9.816 3.112 9.609 1.00 0.00 N ATOM 337 CA GLU A 25 10.941 3.255 8.701 1.00 0.00 C ATOM 338 C GLU A 25 12.177 2.558 9.272 1.00 0.00 C ATOM 339 O GLU A 25 12.885 1.854 8.553 1.00 0.00 O ATOM 340 CB GLU A 25 11.227 4.731 8.414 1.00 0.00 C ATOM 341 CG GLU A 25 12.664 4.925 7.925 1.00 0.00 C ATOM 342 CD GLU A 25 12.910 6.377 7.509 1.00 0.00 C ATOM 343 OE1 GLU A 25 12.365 6.765 6.453 1.00 0.00 O ATOM 344 OE2 GLU A 25 13.638 7.066 8.255 1.00 0.00 O ATOM 0 H GLU A 25 9.529 3.974 10.072 1.00 0.00 H new ATOM 0 HA GLU A 25 10.684 2.777 7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.530 5.101 7.662 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.064 5.319 9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.362 4.646 8.715 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.857 4.263 7.081 1.00 0.00 H new ATOM 351 N ARG A 26 12.400 2.778 10.559 1.00 0.00 N ATOM 352 CA ARG A 26 13.539 2.181 11.235 1.00 0.00 C ATOM 353 C ARG A 26 13.423 0.655 11.221 1.00 0.00 C ATOM 354 O ARG A 26 14.325 -0.036 10.747 1.00 0.00 O ATOM 355 CB ARG A 26 13.636 2.663 12.683 1.00 0.00 C ATOM 356 CG ARG A 26 13.523 4.188 12.762 1.00 0.00 C ATOM 357 CD ARG A 26 13.833 4.689 14.173 1.00 0.00 C ATOM 358 NE ARG A 26 15.296 4.696 14.398 1.00 0.00 N ATOM 359 CZ ARG A 26 15.888 5.235 15.472 1.00 0.00 C ATOM 360 NH1 ARG A 26 15.147 5.814 16.427 1.00 0.00 N ATOM 361 NH2 ARG A 26 17.223 5.195 15.593 1.00 0.00 N ATOM 0 H ARG A 26 11.811 3.362 11.152 1.00 0.00 H new ATOM 0 HA ARG A 26 14.439 2.487 10.701 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.845 2.205 13.276 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.584 2.342 13.114 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.212 4.644 12.051 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.518 4.497 12.475 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.431 5.693 14.308 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.347 4.050 14.910 1.00 0.00 H new ATOM 0 HE ARG A 26 15.891 4.263 13.691 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.131 5.844 16.336 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.599 6.224 17.244 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.788 4.754 14.867 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.673 5.606 16.411 1.00 0.00 H new ATOM 375 N LYS A 27 12.305 0.174 11.744 1.00 0.00 N ATOM 376 CA LYS A 27 12.059 -1.257 11.798 1.00 0.00 C ATOM 377 C LYS A 27 12.538 -1.902 10.495 1.00 0.00 C ATOM 378 O LYS A 27 13.229 -2.919 10.519 1.00 0.00 O ATOM 379 CB LYS A 27 10.589 -1.538 12.118 1.00 0.00 C ATOM 380 CG LYS A 27 10.460 -2.566 13.244 1.00 0.00 C ATOM 381 CD LYS A 27 10.903 -3.953 12.774 1.00 0.00 C ATOM 382 CE LYS A 27 11.183 -4.872 13.964 1.00 0.00 C ATOM 383 NZ LYS A 27 12.598 -4.760 14.384 1.00 0.00 N ATOM 0 H LYS A 27 11.559 0.750 12.134 1.00 0.00 H new ATOM 0 HA LYS A 27 12.630 -1.710 12.609 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.093 -0.612 12.408 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.083 -1.905 11.225 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.066 -2.256 14.095 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.426 -2.607 13.587 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.129 -4.392 12.145 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.799 -3.864 12.160 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.529 -4.610 14.795 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.958 -5.904 13.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.085 -5.662 14.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.063 -4.005 13.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.642 -4.534 15.398 1.00 0.00 H new ATOM 397 N PHE A 28 12.151 -1.283 9.389 1.00 0.00 N ATOM 398 CA PHE A 28 12.532 -1.783 8.080 1.00 0.00 C ATOM 399 C PHE A 28 14.052 -1.903 7.960 1.00 0.00 C ATOM 400 O PHE A 28 14.577 -2.992 7.729 1.00 0.00 O ATOM 401 CB PHE A 28 12.030 -0.769 7.050 1.00 0.00 C ATOM 402 CG PHE A 28 11.990 -1.305 5.617 1.00 0.00 C ATOM 403 CD1 PHE A 28 11.120 -2.297 5.286 1.00 0.00 C ATOM 404 CD2 PHE A 28 12.824 -0.789 4.676 1.00 0.00 C ATOM 405 CE1 PHE A 28 11.084 -2.793 3.956 1.00 0.00 C ATOM 406 CE2 PHE A 28 12.788 -1.287 3.345 1.00 0.00 C ATOM 407 CZ PHE A 28 11.918 -2.278 3.014 1.00 0.00 C ATOM 0 H PHE A 28 11.577 -0.440 9.373 1.00 0.00 H new ATOM 0 HA PHE A 28 12.102 -2.772 7.920 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.029 -0.444 7.333 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.672 0.112 7.080 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.457 -2.707 6.034 1.00 0.00 H new ATOM 0 HD2 PHE A 28 13.514 -0.001 4.939 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.393 -3.580 3.692 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.451 -0.878 2.597 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.889 -2.656 2.003 1.00 0.00 H new ATOM 417 N GLN A 29 14.718 -0.769 8.121 1.00 0.00 N ATOM 418 CA GLN A 29 16.168 -0.733 8.034 1.00 0.00 C ATOM 419 C GLN A 29 16.783 -1.771 8.975 1.00 0.00 C ATOM 420 O GLN A 29 17.431 -2.716 8.527 1.00 0.00 O ATOM 421 CB GLN A 29 16.702 0.668 8.338 1.00 0.00 C ATOM 422 CG GLN A 29 16.336 1.649 7.223 1.00 0.00 C ATOM 423 CD GLN A 29 17.138 2.946 7.348 1.00 0.00 C ATOM 424 OE1 GLN A 29 18.150 3.146 6.697 1.00 0.00 O ATOM 425 NE2 GLN A 29 16.631 3.814 8.219 1.00 0.00 N ATOM 0 H GLN A 29 14.280 0.132 8.311 1.00 0.00 H new ATOM 0 HA GLN A 29 16.457 -0.982 7.013 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.292 1.019 9.285 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.785 0.631 8.453 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.528 1.191 6.253 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.270 1.871 7.265 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.780 3.584 8.732 1.00 0.00 H new ATOM 0 HE22 GLN A 29 17.093 4.710 8.374 1.00 0.00 H new ATOM 434 N SER A 30 16.557 -1.560 10.263 1.00 0.00 N ATOM 435 CA SER A 30 17.081 -2.466 11.273 1.00 0.00 C ATOM 436 C SER A 30 16.921 -3.915 10.809 1.00 0.00 C ATOM 437 O SER A 30 17.907 -4.590 10.519 1.00 0.00 O ATOM 438 CB SER A 30 16.379 -2.258 12.616 1.00 0.00 C ATOM 439 OG SER A 30 16.983 -3.021 13.657 1.00 0.00 O ATOM 0 H SER A 30 16.019 -0.776 10.631 1.00 0.00 H new ATOM 0 HA SER A 30 18.141 -2.250 11.410 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.406 -1.201 12.879 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.329 -2.537 12.524 1.00 0.00 H new ATOM 0 HG SER A 30 16.508 -2.860 14.499 1.00 0.00 H new ATOM 445 N GLU A 31 15.671 -4.351 10.753 1.00 0.00 N ATOM 446 CA GLU A 31 15.370 -5.707 10.329 1.00 0.00 C ATOM 447 C GLU A 31 16.206 -6.078 9.103 1.00 0.00 C ATOM 448 O GLU A 31 16.559 -7.241 8.917 1.00 0.00 O ATOM 449 CB GLU A 31 13.876 -5.873 10.044 1.00 0.00 C ATOM 450 CG GLU A 31 13.117 -6.272 11.311 1.00 0.00 C ATOM 451 CD GLU A 31 11.644 -6.549 11.004 1.00 0.00 C ATOM 452 OE1 GLU A 31 10.978 -5.607 10.524 1.00 0.00 O ATOM 453 OE2 GLU A 31 11.217 -7.696 11.257 1.00 0.00 O ATOM 0 H GLU A 31 14.855 -3.789 10.994 1.00 0.00 H new ATOM 0 HA GLU A 31 15.630 -6.387 11.141 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.471 -4.940 9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.731 -6.632 9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.574 -7.160 11.749 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.194 -5.476 12.051 1.00 0.00 H new ATOM 460 N GLN A 32 16.499 -5.067 8.297 1.00 0.00 N ATOM 461 CA GLN A 32 17.287 -5.273 7.094 1.00 0.00 C ATOM 462 C GLN A 32 18.689 -5.769 7.456 1.00 0.00 C ATOM 463 O GLN A 32 19.091 -6.857 7.048 1.00 0.00 O ATOM 464 CB GLN A 32 17.356 -3.993 6.259 1.00 0.00 C ATOM 465 CG GLN A 32 17.413 -4.316 4.765 1.00 0.00 C ATOM 466 CD GLN A 32 17.325 -3.040 3.924 1.00 0.00 C ATOM 467 OE1 GLN A 32 16.780 -2.030 4.337 1.00 0.00 O ATOM 468 NE2 GLN A 32 17.890 -3.142 2.725 1.00 0.00 N ATOM 0 H GLN A 32 16.205 -4.103 8.454 1.00 0.00 H new ATOM 0 HA GLN A 32 16.798 -6.037 6.489 1.00 0.00 H new ATOM 0 HB2 GLN A 32 16.485 -3.371 6.467 1.00 0.00 H new ATOM 0 HB3 GLN A 32 18.236 -3.416 6.544 1.00 0.00 H new ATOM 0 HG2 GLN A 32 18.340 -4.842 4.538 1.00 0.00 H new ATOM 0 HG3 GLN A 32 16.594 -4.986 4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 32 18.330 -4.018 2.441 1.00 0.00 H new ATOM 0 HE22 GLN A 32 17.884 -2.345 2.089 1.00 0.00 H new ATOM 477 N ALA A 33 19.394 -4.946 8.218 1.00 0.00 N ATOM 478 CA ALA A 33 20.742 -5.286 8.639 1.00 0.00 C ATOM 479 C ALA A 33 20.683 -6.443 9.639 1.00 0.00 C ATOM 480 O ALA A 33 21.713 -7.006 10.005 1.00 0.00 O ATOM 481 CB ALA A 33 21.424 -4.046 9.222 1.00 0.00 C ATOM 0 H ALA A 33 19.057 -4.044 8.555 1.00 0.00 H new ATOM 0 HA ALA A 33 21.338 -5.616 7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 33 22.435 -4.302 9.538 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.467 -3.264 8.464 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.856 -3.688 10.080 1.00 0.00 H new ATOM 487 N ALA A 34 19.465 -6.763 10.052 1.00 0.00 N ATOM 488 CA ALA A 34 19.258 -7.843 11.001 1.00 0.00 C ATOM 489 C ALA A 34 19.481 -9.184 10.299 1.00 0.00 C ATOM 490 O ALA A 34 20.145 -10.068 10.839 1.00 0.00 O ATOM 491 CB ALA A 34 17.857 -7.729 11.607 1.00 0.00 C ATOM 0 H ALA A 34 18.612 -6.293 9.747 1.00 0.00 H new ATOM 0 HA ALA A 34 19.975 -7.776 11.820 1.00 0.00 H new ATOM 0 HB1 ALA A 34 17.702 -8.539 12.319 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.759 -6.772 12.119 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.111 -7.794 10.815 1.00 0.00 H new ATOM 497 N GLY A 35 18.913 -9.294 9.108 1.00 0.00 N ATOM 498 CA GLY A 35 19.042 -10.513 8.326 1.00 0.00 C ATOM 499 C GLY A 35 18.170 -10.454 7.071 1.00 0.00 C ATOM 500 O GLY A 35 18.567 -10.937 6.012 1.00 0.00 O ATOM 0 H GLY A 35 18.362 -8.559 8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.084 -10.659 8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.754 -11.371 8.933 1.00 0.00 H new ATOM 504 N SER A 36 16.998 -9.856 7.231 1.00 0.00 N ATOM 505 CA SER A 36 16.067 -9.728 6.122 1.00 0.00 C ATOM 506 C SER A 36 14.720 -9.209 6.628 1.00 0.00 C ATOM 507 O SER A 36 14.099 -9.823 7.495 1.00 0.00 O ATOM 508 CB SER A 36 15.884 -11.064 5.399 1.00 0.00 C ATOM 509 OG SER A 36 15.750 -12.151 6.312 1.00 0.00 O ATOM 0 H SER A 36 16.672 -9.455 8.111 1.00 0.00 H new ATOM 0 HA SER A 36 16.480 -9.014 5.409 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.000 -11.014 4.763 1.00 0.00 H new ATOM 0 HB3 SER A 36 16.738 -11.243 4.745 1.00 0.00 H new ATOM 0 HG SER A 36 15.181 -11.880 7.062 1.00 0.00 H new ATOM 515 N VAL A 37 14.307 -8.082 6.066 1.00 0.00 N ATOM 516 CA VAL A 37 13.044 -7.474 6.450 1.00 0.00 C ATOM 517 C VAL A 37 11.907 -8.465 6.195 1.00 0.00 C ATOM 518 O VAL A 37 11.877 -9.127 5.160 1.00 0.00 O ATOM 519 CB VAL A 37 12.858 -6.147 5.711 1.00 0.00 C ATOM 520 CG1 VAL A 37 11.430 -5.623 5.877 1.00 0.00 C ATOM 521 CG2 VAL A 37 13.880 -5.109 6.181 1.00 0.00 C ATOM 0 H VAL A 37 14.824 -7.574 5.348 1.00 0.00 H new ATOM 0 HA VAL A 37 13.039 -7.242 7.515 1.00 0.00 H new ATOM 0 HB VAL A 37 13.028 -6.328 4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.324 -4.679 5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.726 -6.350 5.472 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.221 -5.466 6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.726 -4.175 5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.756 -4.934 7.250 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.888 -5.477 5.989 1.00 0.00 H new ATOM 531 N SER A 38 10.999 -8.534 7.158 1.00 0.00 N ATOM 532 CA SER A 38 9.863 -9.432 7.050 1.00 0.00 C ATOM 533 C SER A 38 8.727 -8.752 6.284 1.00 0.00 C ATOM 534 O SER A 38 8.631 -7.526 6.271 1.00 0.00 O ATOM 535 CB SER A 38 9.378 -9.876 8.432 1.00 0.00 C ATOM 536 OG SER A 38 10.270 -10.808 9.037 1.00 0.00 O ATOM 0 H SER A 38 11.028 -7.983 8.016 1.00 0.00 H new ATOM 0 HA SER A 38 10.181 -10.319 6.503 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.273 -9.004 9.077 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.390 -10.326 8.342 1.00 0.00 H new ATOM 0 HG SER A 38 9.926 -11.065 9.918 1.00 0.00 H new ATOM 542 N LYS A 39 7.896 -9.577 5.664 1.00 0.00 N ATOM 543 CA LYS A 39 6.771 -9.069 4.897 1.00 0.00 C ATOM 544 C LYS A 39 5.985 -8.074 5.751 1.00 0.00 C ATOM 545 O LYS A 39 5.418 -7.114 5.230 1.00 0.00 O ATOM 546 CB LYS A 39 5.923 -10.225 4.361 1.00 0.00 C ATOM 547 CG LYS A 39 4.594 -10.322 5.113 1.00 0.00 C ATOM 548 CD LYS A 39 4.811 -10.780 6.557 1.00 0.00 C ATOM 549 CE LYS A 39 4.130 -12.125 6.814 1.00 0.00 C ATOM 550 NZ LYS A 39 3.220 -12.031 7.977 1.00 0.00 N ATOM 0 H LYS A 39 7.979 -10.594 5.677 1.00 0.00 H new ATOM 0 HA LYS A 39 7.122 -8.527 4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.734 -10.080 3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.472 -11.161 4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.097 -9.352 5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.933 -11.022 4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.879 -10.865 6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.415 -10.031 7.243 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.570 -12.430 5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.883 -12.892 6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.766 -12.953 8.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.763 -11.761 8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.491 -11.314 7.790 1.00 0.00 H new ATOM 564 N SER A 40 5.976 -8.335 7.050 1.00 0.00 N ATOM 565 CA SER A 40 5.269 -7.473 7.982 1.00 0.00 C ATOM 566 C SER A 40 5.783 -6.037 7.861 1.00 0.00 C ATOM 567 O SER A 40 5.171 -5.209 7.189 1.00 0.00 O ATOM 568 CB SER A 40 5.421 -7.973 9.419 1.00 0.00 C ATOM 569 OG SER A 40 6.787 -8.173 9.773 1.00 0.00 O ATOM 0 H SER A 40 6.447 -9.131 7.479 1.00 0.00 H new ATOM 0 HA SER A 40 4.209 -7.494 7.730 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.971 -7.253 10.103 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.875 -8.909 9.537 1.00 0.00 H new ATOM 0 HG SER A 40 7.002 -7.634 10.563 1.00 0.00 H new ATOM 575 N THR A 41 6.903 -5.786 8.523 1.00 0.00 N ATOM 576 CA THR A 41 7.508 -4.465 8.498 1.00 0.00 C ATOM 577 C THR A 41 7.483 -3.895 7.078 1.00 0.00 C ATOM 578 O THR A 41 7.244 -2.702 6.889 1.00 0.00 O ATOM 579 CB THR A 41 8.917 -4.579 9.084 1.00 0.00 C ATOM 580 OG1 THR A 41 8.700 -4.724 10.484 1.00 0.00 O ATOM 581 CG2 THR A 41 9.709 -3.276 8.961 1.00 0.00 C ATOM 0 H THR A 41 7.408 -6.475 9.080 1.00 0.00 H new ATOM 0 HA THR A 41 6.944 -3.759 9.108 1.00 0.00 H new ATOM 0 HB THR A 41 9.457 -5.380 8.579 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.247 -5.462 10.825 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.701 -3.411 9.392 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.804 -3.006 7.909 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.187 -2.481 9.494 1.00 0.00 H new ATOM 589 N GLN A 42 7.735 -4.772 6.119 1.00 0.00 N ATOM 590 CA GLN A 42 7.744 -4.370 4.722 1.00 0.00 C ATOM 591 C GLN A 42 6.373 -3.827 4.316 1.00 0.00 C ATOM 592 O GLN A 42 6.250 -2.661 3.941 1.00 0.00 O ATOM 593 CB GLN A 42 8.163 -5.533 3.820 1.00 0.00 C ATOM 594 CG GLN A 42 8.444 -5.048 2.396 1.00 0.00 C ATOM 595 CD GLN A 42 9.399 -5.999 1.671 1.00 0.00 C ATOM 596 OE1 GLN A 42 10.366 -6.491 2.229 1.00 0.00 O ATOM 597 NE2 GLN A 42 9.074 -6.230 0.402 1.00 0.00 N ATOM 0 H GLN A 42 7.935 -5.759 6.281 1.00 0.00 H new ATOM 0 HA GLN A 42 8.478 -3.574 4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.054 -6.012 4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.376 -6.287 3.803 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.508 -4.974 1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.876 -4.048 2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.250 -5.785 -0.003 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.649 -6.852 -0.166 1.00 0.00 H new ATOM 606 N PHE A 43 5.378 -4.696 4.405 1.00 0.00 N ATOM 607 CA PHE A 43 4.020 -4.318 4.052 1.00 0.00 C ATOM 608 C PHE A 43 3.532 -3.154 4.916 1.00 0.00 C ATOM 609 O PHE A 43 2.838 -2.262 4.429 1.00 0.00 O ATOM 610 CB PHE A 43 3.134 -5.537 4.314 1.00 0.00 C ATOM 611 CG PHE A 43 1.654 -5.200 4.510 1.00 0.00 C ATOM 612 CD1 PHE A 43 0.943 -4.641 3.494 1.00 0.00 C ATOM 613 CD2 PHE A 43 1.049 -5.461 5.699 1.00 0.00 C ATOM 614 CE1 PHE A 43 -0.430 -4.328 3.676 1.00 0.00 C ATOM 615 CE2 PHE A 43 -0.325 -5.149 5.880 1.00 0.00 C ATOM 616 CZ PHE A 43 -1.035 -4.589 4.866 1.00 0.00 C ATOM 0 H PHE A 43 5.485 -5.661 4.717 1.00 0.00 H new ATOM 0 HA PHE A 43 3.981 -4.003 3.009 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.231 -6.230 3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.499 -6.055 5.201 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.423 -4.435 2.549 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.613 -5.905 6.506 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.994 -3.883 2.870 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.806 -5.357 6.824 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.079 -4.351 5.005 1.00 0.00 H new ATOM 626 N GLU A 44 3.915 -3.198 6.184 1.00 0.00 N ATOM 627 CA GLU A 44 3.526 -2.157 7.120 1.00 0.00 C ATOM 628 C GLU A 44 4.073 -0.803 6.666 1.00 0.00 C ATOM 629 O GLU A 44 3.309 0.079 6.273 1.00 0.00 O ATOM 630 CB GLU A 44 3.997 -2.491 8.538 1.00 0.00 C ATOM 631 CG GLU A 44 3.118 -3.575 9.165 1.00 0.00 C ATOM 632 CD GLU A 44 2.407 -3.049 10.413 1.00 0.00 C ATOM 633 OE1 GLU A 44 3.117 -2.802 11.411 1.00 0.00 O ATOM 634 OE2 GLU A 44 1.167 -2.906 10.341 1.00 0.00 O ATOM 0 H GLU A 44 4.491 -3.938 6.585 1.00 0.00 H new ATOM 0 HA GLU A 44 2.438 -2.100 7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.033 -2.828 8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.970 -1.593 9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.381 -3.916 8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.730 -4.438 9.427 1.00 0.00 H new ATOM 641 N TYR A 45 5.390 -0.678 6.734 1.00 0.00 N ATOM 642 CA TYR A 45 6.048 0.554 6.335 1.00 0.00 C ATOM 643 C TYR A 45 5.545 1.026 4.969 1.00 0.00 C ATOM 644 O TYR A 45 5.556 2.220 4.678 1.00 0.00 O ATOM 645 CB TYR A 45 7.538 0.222 6.230 1.00 0.00 C ATOM 646 CG TYR A 45 8.383 1.341 5.619 1.00 0.00 C ATOM 647 CD1 TYR A 45 8.274 2.630 6.103 1.00 0.00 C ATOM 648 CD2 TYR A 45 9.254 1.063 4.586 1.00 0.00 C ATOM 649 CE1 TYR A 45 9.070 3.684 5.527 1.00 0.00 C ATOM 650 CE2 TYR A 45 10.050 2.117 4.011 1.00 0.00 C ATOM 651 CZ TYR A 45 9.918 3.375 4.511 1.00 0.00 C ATOM 652 OH TYR A 45 10.670 4.370 3.968 1.00 0.00 O ATOM 0 H TYR A 45 6.020 -1.411 7.060 1.00 0.00 H new ATOM 0 HA TYR A 45 5.847 1.347 7.055 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.920 -0.006 7.225 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.657 -0.679 5.629 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.593 2.848 6.912 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.339 0.055 4.208 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.994 4.697 5.894 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.736 1.913 3.202 1.00 0.00 H new ATOM 0 HH TYR A 45 11.230 4.003 3.252 1.00 0.00 H new ATOM 662 N ALA A 46 5.116 0.062 4.167 1.00 0.00 N ATOM 663 CA ALA A 46 4.611 0.364 2.838 1.00 0.00 C ATOM 664 C ALA A 46 3.273 1.096 2.961 1.00 0.00 C ATOM 665 O ALA A 46 3.105 2.185 2.414 1.00 0.00 O ATOM 666 CB ALA A 46 4.496 -0.930 2.030 1.00 0.00 C ATOM 0 H ALA A 46 5.108 -0.928 4.412 1.00 0.00 H new ATOM 0 HA ALA A 46 5.299 1.021 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.117 -0.704 1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.478 -1.396 1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.811 -1.613 2.532 1.00 0.00 H new ATOM 672 N TRP A 47 2.355 0.468 3.681 1.00 0.00 N ATOM 673 CA TRP A 47 1.036 1.046 3.882 1.00 0.00 C ATOM 674 C TRP A 47 1.216 2.406 4.562 1.00 0.00 C ATOM 675 O TRP A 47 0.435 3.327 4.329 1.00 0.00 O ATOM 676 CB TRP A 47 0.136 0.096 4.673 1.00 0.00 C ATOM 677 CG TRP A 47 -1.208 0.705 5.078 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.716 0.838 6.311 1.00 0.00 C ATOM 679 CD2 TRP A 47 -2.201 1.261 4.191 1.00 0.00 C ATOM 680 NE1 TRP A 47 -2.959 1.437 6.284 1.00 0.00 N ATOM 681 CE2 TRP A 47 -3.263 1.703 4.954 1.00 0.00 C ATOM 682 CE3 TRP A 47 -2.202 1.388 2.791 1.00 0.00 C ATOM 683 CZ2 TRP A 47 -4.405 2.300 4.405 1.00 0.00 C ATOM 684 CZ3 TRP A 47 -3.350 1.988 2.258 1.00 0.00 C ATOM 685 CH2 TRP A 47 -4.428 2.437 3.013 1.00 0.00 C ATOM 0 H TRP A 47 2.498 -0.435 4.133 1.00 0.00 H new ATOM 0 HA TRP A 47 0.531 1.197 2.928 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -0.047 -0.797 4.075 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.664 -0.224 5.571 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -1.216 0.517 7.213 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.546 1.646 7.091 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.382 1.050 2.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.224 2.637 5.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.401 2.110 1.186 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.279 2.890 2.527 1.00 0.00 H new ATOM 696 N CYS A 48 2.247 2.486 5.388 1.00 0.00 N ATOM 697 CA CYS A 48 2.538 3.717 6.103 1.00 0.00 C ATOM 698 C CYS A 48 2.866 4.804 5.077 1.00 0.00 C ATOM 699 O CYS A 48 2.355 5.919 5.164 1.00 0.00 O ATOM 700 CB CYS A 48 3.670 3.530 7.116 1.00 0.00 C ATOM 701 SG CYS A 48 3.011 2.811 8.665 1.00 0.00 S ATOM 0 H CYS A 48 2.892 1.719 5.579 1.00 0.00 H new ATOM 0 HA CYS A 48 1.665 4.017 6.683 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.437 2.877 6.700 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.145 4.489 7.324 1.00 0.00 H new ATOM 0 HG CYS A 48 3.890 2.001 9.176 1.00 0.00 H new ATOM 707 N LEU A 49 3.716 4.439 4.128 1.00 0.00 N ATOM 708 CA LEU A 49 4.118 5.368 3.086 1.00 0.00 C ATOM 709 C LEU A 49 2.872 5.896 2.371 1.00 0.00 C ATOM 710 O LEU A 49 2.545 7.077 2.475 1.00 0.00 O ATOM 711 CB LEU A 49 5.135 4.715 2.148 1.00 0.00 C ATOM 712 CG LEU A 49 6.585 4.703 2.635 1.00 0.00 C ATOM 713 CD1 LEU A 49 7.438 3.748 1.796 1.00 0.00 C ATOM 714 CD2 LEU A 49 7.167 6.118 2.663 1.00 0.00 C ATOM 0 H LEU A 49 4.137 3.513 4.059 1.00 0.00 H new ATOM 0 HA LEU A 49 4.627 6.229 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.825 3.686 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.099 5.232 1.189 1.00 0.00 H new ATOM 0 HG LEU A 49 6.598 4.330 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.464 3.759 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.036 2.738 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.422 4.067 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.199 6.080 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.140 6.543 1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.578 6.740 3.337 1.00 0.00 H new ATOM 726 N VAL A 50 2.211 4.994 1.660 1.00 0.00 N ATOM 727 CA VAL A 50 1.008 5.353 0.929 1.00 0.00 C ATOM 728 C VAL A 50 0.117 6.224 1.816 1.00 0.00 C ATOM 729 O VAL A 50 -0.374 7.264 1.381 1.00 0.00 O ATOM 730 CB VAL A 50 0.303 4.090 0.428 1.00 0.00 C ATOM 731 CG1 VAL A 50 1.080 3.448 -0.723 1.00 0.00 C ATOM 732 CG2 VAL A 50 0.090 3.093 1.569 1.00 0.00 C ATOM 0 H VAL A 50 2.486 4.015 1.575 1.00 0.00 H new ATOM 0 HA VAL A 50 1.259 5.940 0.046 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.677 4.381 0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.557 2.553 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.158 4.155 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.079 3.178 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.413 2.205 1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.055 2.811 1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.524 3.552 2.344 1.00 0.00 H new ATOM 742 N ARG A 51 -0.067 5.766 3.046 1.00 0.00 N ATOM 743 CA ARG A 51 -0.891 6.489 3.999 1.00 0.00 C ATOM 744 C ARG A 51 -0.449 7.952 4.080 1.00 0.00 C ATOM 745 O ARG A 51 -1.273 8.845 4.269 1.00 0.00 O ATOM 746 CB ARG A 51 -0.805 5.860 5.391 1.00 0.00 C ATOM 747 CG ARG A 51 -1.651 4.588 5.471 1.00 0.00 C ATOM 748 CD ARG A 51 -3.028 4.881 6.071 1.00 0.00 C ATOM 749 NE ARG A 51 -3.146 4.244 7.401 1.00 0.00 N ATOM 750 CZ ARG A 51 -4.145 4.482 8.262 1.00 0.00 C ATOM 751 NH1 ARG A 51 -5.120 5.342 7.937 1.00 0.00 N ATOM 752 NH2 ARG A 51 -4.171 3.858 9.448 1.00 0.00 N ATOM 0 H ARG A 51 0.341 4.903 3.404 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.923 6.436 3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.234 5.626 5.624 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.146 6.576 6.139 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.768 4.162 4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.137 3.843 6.078 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.173 5.958 6.160 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.809 4.507 5.409 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.422 3.582 7.680 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.102 5.816 7.034 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.880 5.523 8.593 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.430 3.202 9.695 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.931 4.039 10.103 1.00 0.00 H new ATOM 766 N SER A 52 0.853 8.152 3.933 1.00 0.00 N ATOM 767 CA SER A 52 1.414 9.491 3.987 1.00 0.00 C ATOM 768 C SER A 52 0.653 10.417 3.037 1.00 0.00 C ATOM 769 O SER A 52 -0.311 9.999 2.397 1.00 0.00 O ATOM 770 CB SER A 52 2.904 9.478 3.636 1.00 0.00 C ATOM 771 OG SER A 52 3.548 10.696 3.996 1.00 0.00 O ATOM 0 H SER A 52 1.535 7.410 3.777 1.00 0.00 H new ATOM 0 HA SER A 52 1.311 9.864 5.006 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.389 8.647 4.147 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.023 9.308 2.566 1.00 0.00 H new ATOM 0 HG SER A 52 4.497 10.647 3.757 1.00 0.00 H new ATOM 777 N LYS A 53 1.115 11.658 2.973 1.00 0.00 N ATOM 778 CA LYS A 53 0.489 12.646 2.112 1.00 0.00 C ATOM 779 C LYS A 53 1.404 12.928 0.918 1.00 0.00 C ATOM 780 O LYS A 53 1.080 13.751 0.063 1.00 0.00 O ATOM 781 CB LYS A 53 0.118 13.896 2.911 1.00 0.00 C ATOM 782 CG LYS A 53 1.304 14.384 3.747 1.00 0.00 C ATOM 783 CD LYS A 53 1.462 15.901 3.641 1.00 0.00 C ATOM 784 CE LYS A 53 1.897 16.310 2.231 1.00 0.00 C ATOM 785 NZ LYS A 53 0.762 16.903 1.490 1.00 0.00 N ATOM 0 H LYS A 53 1.916 12.001 3.504 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.450 12.262 1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.201 14.685 2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.727 13.677 3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.159 14.102 4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.218 13.895 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.518 16.387 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.199 16.245 4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.715 17.028 2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.275 15.440 1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.636 16.401 0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.105 16.818 2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.956 17.908 1.304 1.00 0.00 H new ATOM 799 N TYR A 54 2.530 12.229 0.897 1.00 0.00 N ATOM 800 CA TYR A 54 3.494 12.393 -0.177 1.00 0.00 C ATOM 801 C TYR A 54 3.181 11.456 -1.344 1.00 0.00 C ATOM 802 O TYR A 54 2.635 10.371 -1.144 1.00 0.00 O ATOM 803 CB TYR A 54 4.854 12.016 0.415 1.00 0.00 C ATOM 804 CG TYR A 54 5.504 13.128 1.239 1.00 0.00 C ATOM 805 CD1 TYR A 54 4.882 13.597 2.379 1.00 0.00 C ATOM 806 CD2 TYR A 54 6.714 13.663 0.843 1.00 0.00 C ATOM 807 CE1 TYR A 54 5.495 14.645 3.154 1.00 0.00 C ATOM 808 CE2 TYR A 54 7.326 14.710 1.620 1.00 0.00 C ATOM 809 CZ TYR A 54 6.686 15.150 2.737 1.00 0.00 C ATOM 810 OH TYR A 54 7.264 16.139 3.470 1.00 0.00 O ATOM 0 H TYR A 54 2.796 11.547 1.608 1.00 0.00 H new ATOM 0 HA TYR A 54 3.473 13.414 -0.558 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.733 11.135 1.045 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.527 11.738 -0.396 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.936 13.178 2.689 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.201 13.297 -0.049 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.019 15.021 4.047 1.00 0.00 H new ATOM 0 HE2 TYR A 54 8.272 15.137 1.322 1.00 0.00 H new ATOM 0 HH TYR A 54 8.112 16.402 3.054 1.00 0.00 H new ATOM 820 N ASN A 55 3.540 11.906 -2.537 1.00 0.00 N ATOM 821 CA ASN A 55 3.304 11.121 -3.736 1.00 0.00 C ATOM 822 C ASN A 55 4.448 10.121 -3.919 1.00 0.00 C ATOM 823 O ASN A 55 4.211 8.945 -4.191 1.00 0.00 O ATOM 824 CB ASN A 55 3.252 12.012 -4.977 1.00 0.00 C ATOM 825 CG ASN A 55 1.941 12.797 -5.035 1.00 0.00 C ATOM 826 OD1 ASN A 55 1.403 13.232 -4.031 1.00 0.00 O ATOM 827 ND2 ASN A 55 1.457 12.954 -6.264 1.00 0.00 N ATOM 0 H ASN A 55 3.993 12.805 -2.699 1.00 0.00 H new ATOM 0 HA ASN A 55 2.349 10.609 -3.621 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.094 12.704 -4.967 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.353 11.400 -5.873 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.585 13.464 -6.408 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.957 12.564 -7.063 1.00 0.00 H new ATOM 834 N GLU A 56 5.663 10.625 -3.762 1.00 0.00 N ATOM 835 CA GLU A 56 6.844 9.791 -3.907 1.00 0.00 C ATOM 836 C GLU A 56 6.780 8.608 -2.939 1.00 0.00 C ATOM 837 O GLU A 56 7.168 7.494 -3.288 1.00 0.00 O ATOM 838 CB GLU A 56 8.120 10.607 -3.690 1.00 0.00 C ATOM 839 CG GLU A 56 8.792 10.938 -5.025 1.00 0.00 C ATOM 840 CD GLU A 56 10.312 11.008 -4.872 1.00 0.00 C ATOM 841 OE1 GLU A 56 10.875 10.025 -4.343 1.00 0.00 O ATOM 842 OE2 GLU A 56 10.877 12.042 -5.287 1.00 0.00 O ATOM 0 H GLU A 56 5.855 11.601 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 56 6.868 9.402 -4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.881 11.529 -3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.811 10.048 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.532 10.181 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.416 11.891 -5.399 1.00 0.00 H new ATOM 849 N ASP A 57 6.286 8.889 -1.742 1.00 0.00 N ATOM 850 CA ASP A 57 6.166 7.861 -0.722 1.00 0.00 C ATOM 851 C ASP A 57 5.205 6.775 -1.210 1.00 0.00 C ATOM 852 O ASP A 57 5.459 5.586 -1.017 1.00 0.00 O ATOM 853 CB ASP A 57 5.604 8.440 0.579 1.00 0.00 C ATOM 854 CG ASP A 57 6.582 9.303 1.378 1.00 0.00 C ATOM 855 OD1 ASP A 57 7.359 10.033 0.725 1.00 0.00 O ATOM 856 OD2 ASP A 57 6.531 9.215 2.624 1.00 0.00 O ATOM 0 H ASP A 57 5.964 9.814 -1.456 1.00 0.00 H new ATOM 0 HA ASP A 57 7.159 7.452 -0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.724 9.039 0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.269 7.617 1.211 1.00 0.00 H new ATOM 861 N ILE A 58 4.123 7.221 -1.830 1.00 0.00 N ATOM 862 CA ILE A 58 3.124 6.301 -2.346 1.00 0.00 C ATOM 863 C ILE A 58 3.796 5.304 -3.292 1.00 0.00 C ATOM 864 O ILE A 58 3.664 4.093 -3.119 1.00 0.00 O ATOM 865 CB ILE A 58 1.966 7.071 -2.986 1.00 0.00 C ATOM 866 CG1 ILE A 58 1.085 7.722 -1.918 1.00 0.00 C ATOM 867 CG2 ILE A 58 1.160 6.170 -3.924 1.00 0.00 C ATOM 868 CD1 ILE A 58 0.176 8.789 -2.532 1.00 0.00 C ATOM 0 H ILE A 58 3.916 8.207 -1.987 1.00 0.00 H new ATOM 0 HA ILE A 58 2.682 5.723 -1.534 1.00 0.00 H new ATOM 0 HB ILE A 58 2.383 7.875 -3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.478 6.960 -1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.713 8.173 -1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.344 6.742 -4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.809 5.795 -4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.752 5.331 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.439 9.236 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.786 9.562 -3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.467 8.331 -3.283 1.00 0.00 H new ATOM 880 N ARG A 59 4.501 5.850 -4.273 1.00 0.00 N ATOM 881 CA ARG A 59 5.193 5.022 -5.247 1.00 0.00 C ATOM 882 C ARG A 59 5.975 3.913 -4.540 1.00 0.00 C ATOM 883 O ARG A 59 5.910 2.752 -4.938 1.00 0.00 O ATOM 884 CB ARG A 59 6.157 5.857 -6.093 1.00 0.00 C ATOM 885 CG ARG A 59 6.524 5.127 -7.387 1.00 0.00 C ATOM 886 CD ARG A 59 7.515 5.947 -8.215 1.00 0.00 C ATOM 887 NE ARG A 59 6.784 6.813 -9.167 1.00 0.00 N ATOM 888 CZ ARG A 59 7.372 7.705 -9.975 1.00 0.00 C ATOM 889 NH1 ARG A 59 8.705 7.852 -9.953 1.00 0.00 N ATOM 890 NH2 ARG A 59 6.630 8.449 -10.807 1.00 0.00 N ATOM 0 H ARG A 59 4.608 6.855 -4.414 1.00 0.00 H new ATOM 0 HA ARG A 59 4.442 4.581 -5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.700 6.818 -6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.061 6.067 -5.521 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.958 4.156 -7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.623 4.940 -7.972 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.134 6.557 -7.557 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.186 5.282 -8.758 1.00 0.00 H new ATOM 0 HE ARG A 59 5.769 6.725 -9.211 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.270 7.285 -9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.153 8.531 -10.568 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.616 8.336 -10.825 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.079 9.128 -11.422 1.00 0.00 H new ATOM 904 N ARG A 60 6.697 4.311 -3.503 1.00 0.00 N ATOM 905 CA ARG A 60 7.491 3.365 -2.737 1.00 0.00 C ATOM 906 C ARG A 60 6.609 2.228 -2.218 1.00 0.00 C ATOM 907 O ARG A 60 6.884 1.057 -2.475 1.00 0.00 O ATOM 908 CB ARG A 60 8.176 4.051 -1.553 1.00 0.00 C ATOM 909 CG ARG A 60 9.621 4.419 -1.892 1.00 0.00 C ATOM 910 CD ARG A 60 9.796 5.937 -1.972 1.00 0.00 C ATOM 911 NE ARG A 60 10.971 6.268 -2.809 1.00 0.00 N ATOM 912 CZ ARG A 60 11.041 6.044 -4.127 1.00 0.00 C ATOM 913 NH1 ARG A 60 10.004 5.487 -4.768 1.00 0.00 N ATOM 914 NH2 ARG A 60 12.148 6.377 -4.806 1.00 0.00 N ATOM 0 H ARG A 60 6.749 5.275 -3.175 1.00 0.00 H new ATOM 0 HA ARG A 60 8.256 2.962 -3.401 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.623 4.950 -1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.159 3.390 -0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.291 4.012 -1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.902 3.966 -2.843 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.900 6.393 -2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.924 6.350 -0.971 1.00 0.00 H new ATOM 0 HE ARG A 60 11.778 6.693 -2.353 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.162 5.234 -4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.057 5.316 -5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.937 6.801 -4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.201 6.206 -5.810 1.00 0.00 H new ATOM 928 N GLY A 61 5.566 2.613 -1.498 1.00 0.00 N ATOM 929 CA GLY A 61 4.640 1.640 -0.941 1.00 0.00 C ATOM 930 C GLY A 61 4.177 0.650 -2.011 1.00 0.00 C ATOM 931 O GLY A 61 4.058 -0.546 -1.745 1.00 0.00 O ATOM 0 H GLY A 61 5.341 3.585 -1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.121 1.101 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.777 2.154 -0.518 1.00 0.00 H new ATOM 935 N ILE A 62 3.928 1.183 -3.197 1.00 0.00 N ATOM 936 CA ILE A 62 3.479 0.360 -4.309 1.00 0.00 C ATOM 937 C ILE A 62 4.490 -0.764 -4.545 1.00 0.00 C ATOM 938 O ILE A 62 4.125 -1.938 -4.560 1.00 0.00 O ATOM 939 CB ILE A 62 3.220 1.225 -5.544 1.00 0.00 C ATOM 940 CG1 ILE A 62 2.120 2.252 -5.273 1.00 0.00 C ATOM 941 CG2 ILE A 62 2.905 0.356 -6.764 1.00 0.00 C ATOM 942 CD1 ILE A 62 1.919 3.172 -6.480 1.00 0.00 C ATOM 0 H ILE A 62 4.028 2.175 -3.414 1.00 0.00 H new ATOM 0 HA ILE A 62 2.525 -0.113 -4.074 1.00 0.00 H new ATOM 0 HB ILE A 62 4.130 1.781 -5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.186 1.738 -5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.380 2.847 -4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.725 0.995 -7.629 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.749 -0.303 -6.969 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.017 -0.243 -6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.131 3.893 -6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.847 3.702 -6.692 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.635 2.577 -7.348 1.00 0.00 H new ATOM 954 N VAL A 63 5.740 -0.363 -4.725 1.00 0.00 N ATOM 955 CA VAL A 63 6.806 -1.323 -4.960 1.00 0.00 C ATOM 956 C VAL A 63 6.717 -2.442 -3.922 1.00 0.00 C ATOM 957 O VAL A 63 6.706 -3.621 -4.274 1.00 0.00 O ATOM 958 CB VAL A 63 8.161 -0.611 -4.957 1.00 0.00 C ATOM 959 CG1 VAL A 63 9.310 -1.620 -4.983 1.00 0.00 C ATOM 960 CG2 VAL A 63 8.267 0.371 -6.126 1.00 0.00 C ATOM 0 H VAL A 63 6.039 0.612 -4.713 1.00 0.00 H new ATOM 0 HA VAL A 63 6.697 -1.782 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 63 8.237 -0.040 -4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.261 -1.088 -4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.251 -2.262 -4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.238 -2.230 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.239 0.863 -6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.159 -0.170 -7.066 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.479 1.120 -6.045 1.00 0.00 H new ATOM 970 N LEU A 64 6.658 -2.034 -2.662 1.00 0.00 N ATOM 971 CA LEU A 64 6.571 -2.989 -1.570 1.00 0.00 C ATOM 972 C LEU A 64 5.335 -3.869 -1.765 1.00 0.00 C ATOM 973 O LEU A 64 5.452 -5.081 -1.938 1.00 0.00 O ATOM 974 CB LEU A 64 6.605 -2.266 -0.223 1.00 0.00 C ATOM 975 CG LEU A 64 7.538 -1.056 -0.133 1.00 0.00 C ATOM 976 CD1 LEU A 64 7.651 -0.556 1.308 1.00 0.00 C ATOM 977 CD2 LEU A 64 8.906 -1.374 -0.740 1.00 0.00 C ATOM 0 H LEU A 64 6.669 -1.056 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 64 7.437 -3.651 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.593 -1.938 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.898 -2.983 0.544 1.00 0.00 H new ATOM 0 HG LEU A 64 7.106 -0.246 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.320 0.304 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.665 -0.264 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.049 -1.351 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.550 -0.498 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.359 -2.206 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.785 -1.645 -1.789 1.00 0.00 H new ATOM 989 N LEU A 65 4.178 -3.224 -1.729 1.00 0.00 N ATOM 990 CA LEU A 65 2.920 -3.934 -1.900 1.00 0.00 C ATOM 991 C LEU A 65 2.994 -4.796 -3.161 1.00 0.00 C ATOM 992 O LEU A 65 2.575 -5.953 -3.152 1.00 0.00 O ATOM 993 CB LEU A 65 1.746 -2.952 -1.893 1.00 0.00 C ATOM 994 CG LEU A 65 1.153 -2.626 -0.521 1.00 0.00 C ATOM 995 CD1 LEU A 65 2.206 -2.770 0.580 1.00 0.00 C ATOM 996 CD2 LEU A 65 0.507 -1.239 -0.519 1.00 0.00 C ATOM 0 H LEU A 65 4.085 -2.219 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 65 2.746 -4.609 -1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.074 -2.021 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.954 -3.359 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 65 0.365 -3.349 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.758 -2.533 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.579 -3.794 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.032 -2.086 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.093 -1.032 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.258 -0.487 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.291 -1.208 -1.261 1.00 0.00 H new ATOM 1008 N GLU A 66 3.528 -4.200 -4.217 1.00 0.00 N ATOM 1009 CA GLU A 66 3.662 -4.900 -5.484 1.00 0.00 C ATOM 1010 C GLU A 66 4.743 -5.977 -5.384 1.00 0.00 C ATOM 1011 O GLU A 66 4.804 -6.879 -6.218 1.00 0.00 O ATOM 1012 CB GLU A 66 3.965 -3.921 -6.620 1.00 0.00 C ATOM 1013 CG GLU A 66 2.688 -3.237 -7.112 1.00 0.00 C ATOM 1014 CD GLU A 66 2.926 -2.522 -8.443 1.00 0.00 C ATOM 1015 OE1 GLU A 66 3.686 -1.530 -8.427 1.00 0.00 O ATOM 1016 OE2 GLU A 66 2.342 -2.985 -9.447 1.00 0.00 O ATOM 0 H GLU A 66 3.873 -3.240 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 66 2.714 -5.387 -5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.675 -3.169 -6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.438 -4.452 -7.446 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.897 -3.978 -7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.345 -2.520 -6.366 1.00 0.00 H new ATOM 1023 N GLU A 67 5.570 -5.847 -4.357 1.00 0.00 N ATOM 1024 CA GLU A 67 6.646 -6.799 -4.137 1.00 0.00 C ATOM 1025 C GLU A 67 6.169 -7.940 -3.236 1.00 0.00 C ATOM 1026 O GLU A 67 6.464 -9.106 -3.496 1.00 0.00 O ATOM 1027 CB GLU A 67 7.875 -6.109 -3.543 1.00 0.00 C ATOM 1028 CG GLU A 67 8.872 -5.727 -4.639 1.00 0.00 C ATOM 1029 CD GLU A 67 10.308 -6.025 -4.203 1.00 0.00 C ATOM 1030 OE1 GLU A 67 10.713 -7.198 -4.350 1.00 0.00 O ATOM 1031 OE2 GLU A 67 10.967 -5.073 -3.732 1.00 0.00 O ATOM 0 H GLU A 67 5.517 -5.097 -3.668 1.00 0.00 H new ATOM 0 HA GLU A 67 6.936 -7.219 -5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.568 -5.216 -2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.356 -6.771 -2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.644 -6.278 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.772 -4.667 -4.873 1.00 0.00 H new ATOM 1038 N LEU A 68 5.441 -7.565 -2.195 1.00 0.00 N ATOM 1039 CA LEU A 68 4.920 -8.543 -1.254 1.00 0.00 C ATOM 1040 C LEU A 68 3.717 -9.253 -1.876 1.00 0.00 C ATOM 1041 O LEU A 68 3.284 -10.294 -1.385 1.00 0.00 O ATOM 1042 CB LEU A 68 4.617 -7.881 0.092 1.00 0.00 C ATOM 1043 CG LEU A 68 5.781 -7.144 0.755 1.00 0.00 C ATOM 1044 CD1 LEU A 68 5.321 -5.810 1.344 1.00 0.00 C ATOM 1045 CD2 LEU A 68 6.464 -8.027 1.802 1.00 0.00 C ATOM 0 H LEU A 68 5.199 -6.597 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 68 5.668 -9.308 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.799 -7.174 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.260 -8.648 0.779 1.00 0.00 H new ATOM 0 HG LEU A 68 6.523 -6.919 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.168 -5.306 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.917 -5.182 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.550 -5.990 2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.288 -7.479 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.743 -8.304 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.848 -8.928 1.323 1.00 0.00 H new ATOM 1057 N LEU A 69 3.209 -8.660 -2.948 1.00 0.00 N ATOM 1058 CA LEU A 69 2.063 -9.223 -3.642 1.00 0.00 C ATOM 1059 C LEU A 69 2.453 -10.572 -4.250 1.00 0.00 C ATOM 1060 O LEU A 69 1.901 -11.607 -3.879 1.00 0.00 O ATOM 1061 CB LEU A 69 1.513 -8.226 -4.662 1.00 0.00 C ATOM 1062 CG LEU A 69 0.135 -7.638 -4.349 1.00 0.00 C ATOM 1063 CD1 LEU A 69 0.005 -6.219 -4.906 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -0.980 -8.557 -4.853 1.00 0.00 C ATOM 0 H LEU A 69 3.570 -7.796 -3.352 1.00 0.00 H new ATOM 0 HA LEU A 69 1.248 -9.411 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.223 -7.405 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.464 -8.719 -5.633 1.00 0.00 H new ATOM 0 HG LEU A 69 0.030 -7.569 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.983 -5.825 -4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.767 -5.581 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.139 -6.239 -5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.949 -8.116 -4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.890 -8.681 -5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.897 -9.530 -4.368 1.00 0.00 H new ATOM 1076 N PRO A 70 3.427 -10.515 -5.198 1.00 0.00 N ATOM 1077 CA PRO A 70 3.897 -11.720 -5.860 1.00 0.00 C ATOM 1078 C PRO A 70 4.799 -12.540 -4.934 1.00 0.00 C ATOM 1079 O PRO A 70 5.251 -13.623 -5.302 1.00 0.00 O ATOM 1080 CB PRO A 70 4.616 -11.229 -7.106 1.00 0.00 C ATOM 1081 CG PRO A 70 4.926 -9.761 -6.857 1.00 0.00 C ATOM 1082 CD PRO A 70 4.104 -9.308 -5.662 1.00 0.00 C ATOM 0 HA PRO A 70 3.085 -12.398 -6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.530 -11.797 -7.279 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.992 -11.352 -7.991 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.990 -9.623 -6.663 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.682 -9.165 -7.736 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.738 -8.885 -4.883 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.388 -8.536 -5.944 1.00 0.00 H new ATOM 1090 N LYS A 71 5.031 -11.991 -3.751 1.00 0.00 N ATOM 1091 CA LYS A 71 5.869 -12.658 -2.769 1.00 0.00 C ATOM 1092 C LYS A 71 5.087 -12.823 -1.464 1.00 0.00 C ATOM 1093 O LYS A 71 5.676 -13.036 -0.406 1.00 0.00 O ATOM 1094 CB LYS A 71 7.194 -11.912 -2.601 1.00 0.00 C ATOM 1095 CG LYS A 71 7.808 -11.571 -3.961 1.00 0.00 C ATOM 1096 CD LYS A 71 9.154 -10.863 -3.793 1.00 0.00 C ATOM 1097 CE LYS A 71 9.851 -10.685 -5.144 1.00 0.00 C ATOM 1098 NZ LYS A 71 11.166 -10.029 -4.964 1.00 0.00 N ATOM 0 H LYS A 71 4.654 -11.092 -3.450 1.00 0.00 H new ATOM 0 HA LYS A 71 6.133 -13.659 -3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.030 -10.997 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.890 -12.524 -2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.943 -12.483 -4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.125 -10.933 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.001 -9.889 -3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.792 -11.440 -3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.984 -11.655 -5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.226 -10.086 -5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.718 -10.112 -5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.024 -9.024 -4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.680 -10.490 -4.187 1.00 0.00 H new ATOM 1112 N GLY A 72 3.772 -12.719 -1.583 1.00 0.00 N ATOM 1113 CA GLY A 72 2.903 -12.853 -0.426 1.00 0.00 C ATOM 1114 C GLY A 72 1.983 -14.068 -0.570 1.00 0.00 C ATOM 1115 O GLY A 72 2.070 -14.803 -1.552 1.00 0.00 O ATOM 0 H GLY A 72 3.287 -12.543 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.506 -12.954 0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.304 -11.950 -0.310 1.00 0.00 H new ATOM 1119 N SER A 73 1.123 -14.240 0.423 1.00 0.00 N ATOM 1120 CA SER A 73 0.189 -15.352 0.420 1.00 0.00 C ATOM 1121 C SER A 73 -1.042 -14.999 -0.416 1.00 0.00 C ATOM 1122 O SER A 73 -0.979 -14.127 -1.282 1.00 0.00 O ATOM 1123 CB SER A 73 -0.226 -15.727 1.844 1.00 0.00 C ATOM 1124 OG SER A 73 -0.359 -17.136 2.008 1.00 0.00 O ATOM 0 H SER A 73 1.054 -13.627 1.235 1.00 0.00 H new ATOM 0 HA SER A 73 0.686 -16.215 -0.023 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.514 -15.348 2.549 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.172 -15.243 2.085 1.00 0.00 H new ATOM 0 HG SER A 73 -0.623 -17.334 2.931 1.00 0.00 H new ATOM 1130 N LYS A 74 -2.133 -15.694 -0.129 1.00 0.00 N ATOM 1131 CA LYS A 74 -3.377 -15.464 -0.843 1.00 0.00 C ATOM 1132 C LYS A 74 -4.229 -14.458 -0.067 1.00 0.00 C ATOM 1133 O LYS A 74 -4.781 -13.526 -0.649 1.00 0.00 O ATOM 1134 CB LYS A 74 -4.089 -16.790 -1.120 1.00 0.00 C ATOM 1135 CG LYS A 74 -3.664 -17.370 -2.470 1.00 0.00 C ATOM 1136 CD LYS A 74 -4.216 -18.785 -2.656 1.00 0.00 C ATOM 1137 CE LYS A 74 -3.423 -19.548 -3.720 1.00 0.00 C ATOM 1138 NZ LYS A 74 -4.288 -19.880 -4.873 1.00 0.00 N ATOM 0 H LYS A 74 -2.181 -16.417 0.589 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.179 -15.025 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.861 -17.502 -0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.168 -16.636 -1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.021 -16.728 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.576 -17.388 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.173 -19.323 -1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.265 -18.735 -2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.578 -18.946 -4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.013 -20.462 -3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.734 -20.397 -5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.080 -20.473 -4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.659 -19.004 -5.293 1.00 0.00 H new ATOM 1152 N GLU A 75 -4.308 -14.681 1.237 1.00 0.00 N ATOM 1153 CA GLU A 75 -5.083 -13.806 2.100 1.00 0.00 C ATOM 1154 C GLU A 75 -4.264 -12.568 2.474 1.00 0.00 C ATOM 1155 O GLU A 75 -4.694 -11.760 3.295 1.00 0.00 O ATOM 1156 CB GLU A 75 -5.556 -14.548 3.352 1.00 0.00 C ATOM 1157 CG GLU A 75 -4.388 -14.820 4.302 1.00 0.00 C ATOM 1158 CD GLU A 75 -4.508 -16.208 4.935 1.00 0.00 C ATOM 1159 OE1 GLU A 75 -5.613 -16.510 5.435 1.00 0.00 O ATOM 1160 OE2 GLU A 75 -3.491 -16.935 4.904 1.00 0.00 O ATOM 0 H GLU A 75 -3.848 -15.455 1.717 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.969 -13.481 1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.316 -13.957 3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.024 -15.490 3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.447 -14.745 3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.366 -14.061 5.084 1.00 0.00 H new ATOM 1167 N GLU A 76 -3.100 -12.458 1.852 1.00 0.00 N ATOM 1168 CA GLU A 76 -2.218 -11.332 2.108 1.00 0.00 C ATOM 1169 C GLU A 76 -2.195 -10.390 0.903 1.00 0.00 C ATOM 1170 O GLU A 76 -1.754 -9.248 1.012 1.00 0.00 O ATOM 1171 CB GLU A 76 -0.807 -11.810 2.457 1.00 0.00 C ATOM 1172 CG GLU A 76 -0.746 -12.338 3.892 1.00 0.00 C ATOM 1173 CD GLU A 76 0.125 -11.438 4.771 1.00 0.00 C ATOM 1174 OE1 GLU A 76 -0.393 -10.379 5.189 1.00 0.00 O ATOM 1175 OE2 GLU A 76 1.289 -11.829 5.006 1.00 0.00 O ATOM 0 H GLU A 76 -2.747 -13.130 1.171 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.603 -10.782 2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.503 -12.594 1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.101 -10.988 2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.753 -12.393 4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.345 -13.352 3.894 1.00 0.00 H new ATOM 1182 N GLN A 77 -2.675 -10.905 -0.220 1.00 0.00 N ATOM 1183 CA GLN A 77 -2.715 -10.125 -1.444 1.00 0.00 C ATOM 1184 C GLN A 77 -3.934 -9.201 -1.445 1.00 0.00 C ATOM 1185 O GLN A 77 -3.838 -8.040 -1.840 1.00 0.00 O ATOM 1186 CB GLN A 77 -2.716 -11.034 -2.675 1.00 0.00 C ATOM 1187 CG GLN A 77 -1.301 -11.206 -3.231 1.00 0.00 C ATOM 1188 CD GLN A 77 -1.336 -11.705 -4.677 1.00 0.00 C ATOM 1189 OE1 GLN A 77 -2.135 -11.271 -5.490 1.00 0.00 O ATOM 1190 NE2 GLN A 77 -0.429 -12.638 -4.950 1.00 0.00 N ATOM 0 H GLN A 77 -3.040 -11.854 -0.307 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.816 -9.510 -1.488 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.128 -12.008 -2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.363 -10.611 -3.443 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.770 -10.255 -3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.747 -11.912 -2.612 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.210 -12.956 -4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.372 -13.035 -5.888 1.00 0.00 H new ATOM 1199 N ARG A 78 -5.054 -9.750 -0.997 1.00 0.00 N ATOM 1200 CA ARG A 78 -6.291 -8.989 -0.942 1.00 0.00 C ATOM 1201 C ARG A 78 -6.124 -7.772 -0.030 1.00 0.00 C ATOM 1202 O ARG A 78 -6.897 -6.819 -0.114 1.00 0.00 O ATOM 1203 CB ARG A 78 -7.445 -9.852 -0.425 1.00 0.00 C ATOM 1204 CG ARG A 78 -7.643 -9.658 1.080 1.00 0.00 C ATOM 1205 CD ARG A 78 -6.491 -10.286 1.869 1.00 0.00 C ATOM 1206 NE ARG A 78 -6.992 -10.818 3.156 1.00 0.00 N ATOM 1207 CZ ARG A 78 -7.398 -10.051 4.178 1.00 0.00 C ATOM 1208 NH1 ARG A 78 -7.365 -8.717 4.070 1.00 0.00 N ATOM 1209 NH2 ARG A 78 -7.837 -10.621 5.309 1.00 0.00 N ATOM 0 H ARG A 78 -5.131 -10.713 -0.669 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.524 -8.659 -1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.363 -9.592 -0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.242 -10.902 -0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.708 -8.594 1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.587 -10.108 1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.035 -11.087 1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.715 -9.542 2.050 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.031 -11.831 3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.031 -8.283 3.210 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.674 -8.135 4.848 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.862 -11.637 5.392 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.146 -10.038 6.087 1.00 0.00 H new ATOM 1223 N ASP A 79 -5.111 -7.845 0.822 1.00 0.00 N ATOM 1224 CA ASP A 79 -4.834 -6.760 1.748 1.00 0.00 C ATOM 1225 C ASP A 79 -3.943 -5.723 1.061 1.00 0.00 C ATOM 1226 O ASP A 79 -4.066 -4.527 1.318 1.00 0.00 O ATOM 1227 CB ASP A 79 -4.096 -7.270 2.987 1.00 0.00 C ATOM 1228 CG ASP A 79 -3.852 -6.220 4.073 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -4.434 -5.121 3.941 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -3.090 -6.539 5.011 1.00 0.00 O ATOM 0 H ASP A 79 -4.473 -8.638 0.890 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.786 -6.322 2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.667 -8.092 3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.135 -7.679 2.676 1.00 0.00 H new ATOM 1235 N TYR A 80 -3.068 -6.219 0.200 1.00 0.00 N ATOM 1236 CA TYR A 80 -2.157 -5.351 -0.526 1.00 0.00 C ATOM 1237 C TYR A 80 -2.902 -4.541 -1.589 1.00 0.00 C ATOM 1238 O TYR A 80 -2.906 -3.312 -1.547 1.00 0.00 O ATOM 1239 CB TYR A 80 -1.153 -6.275 -1.217 1.00 0.00 C ATOM 1240 CG TYR A 80 -0.337 -7.140 -0.254 1.00 0.00 C ATOM 1241 CD1 TYR A 80 -0.090 -6.698 1.029 1.00 0.00 C ATOM 1242 CD2 TYR A 80 0.152 -8.362 -0.669 1.00 0.00 C ATOM 1243 CE1 TYR A 80 0.678 -7.512 1.936 1.00 0.00 C ATOM 1244 CE2 TYR A 80 0.919 -9.176 0.237 1.00 0.00 C ATOM 1245 CZ TYR A 80 1.144 -8.710 1.495 1.00 0.00 C ATOM 1246 OH TYR A 80 1.870 -9.479 2.351 1.00 0.00 O ATOM 0 H TYR A 80 -2.970 -7.212 -0.012 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.677 -4.646 0.153 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.689 -6.926 -1.908 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.470 -5.671 -1.814 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.472 -5.742 1.354 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.041 -8.708 -1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 80 0.879 -7.178 2.943 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.307 -10.135 -0.075 1.00 0.00 H new ATOM 0 HH TYR A 80 2.136 -10.308 1.901 1.00 0.00 H new ATOM 1256 N VAL A 81 -3.514 -5.262 -2.516 1.00 0.00 N ATOM 1257 CA VAL A 81 -4.261 -4.626 -3.588 1.00 0.00 C ATOM 1258 C VAL A 81 -5.023 -3.423 -3.027 1.00 0.00 C ATOM 1259 O VAL A 81 -4.924 -2.319 -3.561 1.00 0.00 O ATOM 1260 CB VAL A 81 -5.174 -5.648 -4.267 1.00 0.00 C ATOM 1261 CG1 VAL A 81 -5.974 -5.001 -5.401 1.00 0.00 C ATOM 1262 CG2 VAL A 81 -4.372 -6.848 -4.776 1.00 0.00 C ATOM 0 H VAL A 81 -3.508 -6.282 -2.547 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.584 -4.253 -4.357 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.882 -6.011 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.615 -5.749 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.589 -4.196 -4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.288 -4.597 -6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.045 -7.559 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.629 -6.509 -5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.869 -7.331 -3.938 1.00 0.00 H new ATOM 1272 N PHE A 82 -5.765 -3.677 -1.961 1.00 0.00 N ATOM 1273 CA PHE A 82 -6.543 -2.628 -1.323 1.00 0.00 C ATOM 1274 C PHE A 82 -5.741 -1.328 -1.234 1.00 0.00 C ATOM 1275 O PHE A 82 -6.257 -0.254 -1.539 1.00 0.00 O ATOM 1276 CB PHE A 82 -6.869 -3.110 0.092 1.00 0.00 C ATOM 1277 CG PHE A 82 -7.657 -2.099 0.927 1.00 0.00 C ATOM 1278 CD1 PHE A 82 -8.782 -1.528 0.418 1.00 0.00 C ATOM 1279 CD2 PHE A 82 -7.235 -1.774 2.178 1.00 0.00 C ATOM 1280 CE1 PHE A 82 -9.515 -0.590 1.193 1.00 0.00 C ATOM 1281 CE2 PHE A 82 -7.968 -0.837 2.953 1.00 0.00 C ATOM 1282 CZ PHE A 82 -9.092 -0.265 2.445 1.00 0.00 C ATOM 0 H PHE A 82 -5.845 -4.594 -1.522 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.444 -2.429 -1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.440 -4.036 0.027 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.938 -3.345 0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.118 -1.788 -0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.342 -2.228 2.582 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.407 -0.135 0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.633 -0.578 3.947 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.649 0.447 3.035 1.00 0.00 H new ATOM 1292 N TYR A 83 -4.492 -1.468 -0.815 1.00 0.00 N ATOM 1293 CA TYR A 83 -3.614 -0.317 -0.683 1.00 0.00 C ATOM 1294 C TYR A 83 -3.111 0.150 -2.051 1.00 0.00 C ATOM 1295 O TYR A 83 -3.051 1.349 -2.318 1.00 0.00 O ATOM 1296 CB TYR A 83 -2.422 -0.791 0.151 1.00 0.00 C ATOM 1297 CG TYR A 83 -2.749 -1.033 1.625 1.00 0.00 C ATOM 1298 CD1 TYR A 83 -3.983 -0.669 2.126 1.00 0.00 C ATOM 1299 CD2 TYR A 83 -1.812 -1.616 2.454 1.00 0.00 C ATOM 1300 CE1 TYR A 83 -4.292 -0.897 3.514 1.00 0.00 C ATOM 1301 CE2 TYR A 83 -2.121 -1.844 3.842 1.00 0.00 C ATOM 1302 CZ TYR A 83 -3.346 -1.473 4.303 1.00 0.00 C ATOM 1303 OH TYR A 83 -3.637 -1.688 5.614 1.00 0.00 O ATOM 0 H TYR A 83 -4.067 -2.360 -0.563 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.142 0.518 -0.222 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.034 -1.714 -0.280 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.627 -0.049 0.083 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.716 -0.213 1.477 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -0.847 -1.901 2.062 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.253 -0.617 3.919 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.397 -2.299 4.502 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.234 -0.980 6.159 1.00 0.00 H new ATOM 1313 N LEU A 84 -2.763 -0.822 -2.881 1.00 0.00 N ATOM 1314 CA LEU A 84 -2.268 -0.527 -4.214 1.00 0.00 C ATOM 1315 C LEU A 84 -3.280 0.359 -4.945 1.00 0.00 C ATOM 1316 O LEU A 84 -2.906 1.156 -5.803 1.00 0.00 O ATOM 1317 CB LEU A 84 -1.932 -1.819 -4.961 1.00 0.00 C ATOM 1318 CG LEU A 84 -0.451 -2.052 -5.266 1.00 0.00 C ATOM 1319 CD1 LEU A 84 -0.230 -3.427 -5.898 1.00 0.00 C ATOM 1320 CD2 LEU A 84 0.115 -0.925 -6.133 1.00 0.00 C ATOM 0 H LEU A 84 -2.814 -1.815 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.334 0.033 -4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.298 -2.661 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.482 -1.824 -5.902 1.00 0.00 H new ATOM 0 HG LEU A 84 0.097 -2.039 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.831 -3.566 -6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.571 -4.202 -5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.793 -3.494 -6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.169 -1.116 -6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.432 -0.880 -7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.012 0.025 -5.608 1.00 0.00 H new ATOM 1332 N ALA A 85 -4.541 0.190 -4.576 1.00 0.00 N ATOM 1333 CA ALA A 85 -5.609 0.964 -5.184 1.00 0.00 C ATOM 1334 C ALA A 85 -5.710 2.322 -4.487 1.00 0.00 C ATOM 1335 O ALA A 85 -6.239 3.277 -5.054 1.00 0.00 O ATOM 1336 CB ALA A 85 -6.917 0.174 -5.114 1.00 0.00 C ATOM 0 H ALA A 85 -4.847 -0.472 -3.863 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.396 1.149 -6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.718 0.755 -5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.802 -0.768 -5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.164 -0.029 -4.072 1.00 0.00 H new ATOM 1342 N VAL A 86 -5.195 2.365 -3.267 1.00 0.00 N ATOM 1343 CA VAL A 86 -5.220 3.590 -2.487 1.00 0.00 C ATOM 1344 C VAL A 86 -4.076 4.501 -2.936 1.00 0.00 C ATOM 1345 O VAL A 86 -4.278 5.692 -3.164 1.00 0.00 O ATOM 1346 CB VAL A 86 -5.169 3.260 -0.994 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -4.640 4.447 -0.187 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -6.544 2.820 -0.483 1.00 0.00 C ATOM 0 H VAL A 86 -4.758 1.571 -2.800 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.151 4.131 -2.657 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.478 2.428 -0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.614 4.185 0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.634 4.696 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.295 5.306 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.481 2.591 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.264 3.623 -0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.867 1.932 -1.026 1.00 0.00 H new ATOM 1358 N GLY A 87 -2.898 3.904 -3.052 1.00 0.00 N ATOM 1359 CA GLY A 87 -1.720 4.646 -3.470 1.00 0.00 C ATOM 1360 C GLY A 87 -1.850 5.104 -4.924 1.00 0.00 C ATOM 1361 O GLY A 87 -1.623 6.272 -5.234 1.00 0.00 O ATOM 0 H GLY A 87 -2.734 2.915 -2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.582 5.512 -2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.834 4.021 -3.359 1.00 0.00 H new ATOM 1365 N ASN A 88 -2.214 4.158 -5.779 1.00 0.00 N ATOM 1366 CA ASN A 88 -2.375 4.450 -7.193 1.00 0.00 C ATOM 1367 C ASN A 88 -3.371 5.600 -7.362 1.00 0.00 C ATOM 1368 O ASN A 88 -3.080 6.582 -8.042 1.00 0.00 O ATOM 1369 CB ASN A 88 -2.922 3.236 -7.947 1.00 0.00 C ATOM 1370 CG ASN A 88 -1.785 2.360 -8.473 1.00 0.00 C ATOM 1371 OD1 ASN A 88 -1.466 2.353 -9.651 1.00 0.00 O ATOM 1372 ND2 ASN A 88 -1.193 1.621 -7.538 1.00 0.00 N ATOM 0 H ASN A 88 -2.402 3.190 -5.519 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.398 4.715 -7.596 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.561 2.651 -7.286 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.543 3.569 -8.778 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.423 1.001 -7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.509 1.674 -6.570 1.00 0.00 H new ATOM 1379 N TYR A 89 -4.525 5.438 -6.731 1.00 0.00 N ATOM 1380 CA TYR A 89 -5.566 6.450 -6.803 1.00 0.00 C ATOM 1381 C TYR A 89 -4.994 7.844 -6.533 1.00 0.00 C ATOM 1382 O TYR A 89 -5.242 8.778 -7.294 1.00 0.00 O ATOM 1383 CB TYR A 89 -6.569 6.101 -5.702 1.00 0.00 C ATOM 1384 CG TYR A 89 -7.346 7.306 -5.164 1.00 0.00 C ATOM 1385 CD1 TYR A 89 -8.407 7.818 -5.883 1.00 0.00 C ATOM 1386 CD2 TYR A 89 -6.986 7.878 -3.961 1.00 0.00 C ATOM 1387 CE1 TYR A 89 -9.138 8.951 -5.378 1.00 0.00 C ATOM 1388 CE2 TYR A 89 -7.718 9.011 -3.456 1.00 0.00 C ATOM 1389 CZ TYR A 89 -8.757 9.492 -4.189 1.00 0.00 C ATOM 1390 OH TYR A 89 -9.447 10.561 -3.712 1.00 0.00 O ATOM 0 H TYR A 89 -4.762 4.621 -6.168 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.021 6.464 -7.794 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.277 5.368 -6.089 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.037 5.627 -4.877 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.689 7.369 -6.824 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.156 7.476 -3.399 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.970 9.362 -5.930 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.447 9.468 -2.516 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.065 10.841 -2.854 1.00 0.00 H new ATOM 1400 N ARG A 90 -4.240 7.940 -5.449 1.00 0.00 N ATOM 1401 CA ARG A 90 -3.631 9.203 -5.070 1.00 0.00 C ATOM 1402 C ARG A 90 -2.831 9.779 -6.241 1.00 0.00 C ATOM 1403 O ARG A 90 -2.710 10.996 -6.374 1.00 0.00 O ATOM 1404 CB ARG A 90 -2.705 9.029 -3.865 1.00 0.00 C ATOM 1405 CG ARG A 90 -2.925 10.142 -2.838 1.00 0.00 C ATOM 1406 CD ARG A 90 -2.008 11.335 -3.117 1.00 0.00 C ATOM 1407 NE ARG A 90 -2.761 12.600 -2.960 1.00 0.00 N ATOM 1408 CZ ARG A 90 -2.220 13.817 -3.095 1.00 0.00 C ATOM 1409 NH1 ARG A 90 -0.919 13.943 -3.391 1.00 0.00 N ATOM 1410 NH2 ARG A 90 -2.980 14.909 -2.933 1.00 0.00 N ATOM 0 H ARG A 90 -4.037 7.163 -4.820 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.433 9.890 -4.800 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.886 8.060 -3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.667 9.035 -4.196 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.966 10.465 -2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.735 9.759 -1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.160 11.320 -2.433 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.604 11.265 -4.127 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.754 12.541 -2.735 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.341 13.112 -3.513 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.507 14.870 -3.494 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.970 14.812 -2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.568 15.837 -3.036 1.00 0.00 H new ATOM 1424 N LEU A 91 -2.307 8.878 -7.057 1.00 0.00 N ATOM 1425 CA LEU A 91 -1.523 9.282 -8.212 1.00 0.00 C ATOM 1426 C LEU A 91 -2.454 9.495 -9.407 1.00 0.00 C ATOM 1427 O LEU A 91 -1.996 9.622 -10.542 1.00 0.00 O ATOM 1428 CB LEU A 91 -0.403 8.274 -8.479 1.00 0.00 C ATOM 1429 CG LEU A 91 0.516 7.965 -7.294 1.00 0.00 C ATOM 1430 CD1 LEU A 91 1.215 6.617 -7.481 1.00 0.00 C ATOM 1431 CD2 LEU A 91 1.514 9.101 -7.064 1.00 0.00 C ATOM 0 H LEU A 91 -2.409 7.870 -6.942 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.027 10.233 -8.020 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.854 7.341 -8.817 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.208 8.649 -9.300 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.097 7.889 -6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.862 6.421 -6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.468 5.827 -7.559 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.814 6.641 -8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.155 8.856 -6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.126 9.233 -7.956 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.973 10.024 -6.855 1.00 0.00 H new ATOM 1443 N LYS A 92 -3.745 9.530 -9.112 1.00 0.00 N ATOM 1444 CA LYS A 92 -4.745 9.726 -10.147 1.00 0.00 C ATOM 1445 C LYS A 92 -4.799 8.485 -11.040 1.00 0.00 C ATOM 1446 O LYS A 92 -5.428 8.502 -12.096 1.00 0.00 O ATOM 1447 CB LYS A 92 -4.477 11.023 -10.912 1.00 0.00 C ATOM 1448 CG LYS A 92 -4.497 12.228 -9.970 1.00 0.00 C ATOM 1449 CD LYS A 92 -5.276 13.392 -10.587 1.00 0.00 C ATOM 1450 CE LYS A 92 -4.348 14.569 -10.898 1.00 0.00 C ATOM 1451 NZ LYS A 92 -4.160 14.708 -12.360 1.00 0.00 N ATOM 0 H LYS A 92 -4.122 9.426 -8.170 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.734 9.843 -9.704 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.510 10.962 -11.410 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.229 11.153 -11.690 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.951 11.945 -9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.476 12.543 -9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.768 13.061 -11.501 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.060 13.714 -9.901 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.768 15.489 -10.490 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.383 14.417 -10.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.528 15.511 -12.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.739 13.836 -12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.081 14.875 -12.814 1.00 0.00 H new ATOM 1465 N GLU A 93 -4.128 7.437 -10.583 1.00 0.00 N ATOM 1466 CA GLU A 93 -4.091 6.190 -11.329 1.00 0.00 C ATOM 1467 C GLU A 93 -5.335 5.353 -11.024 1.00 0.00 C ATOM 1468 O GLU A 93 -5.245 4.314 -10.371 1.00 0.00 O ATOM 1469 CB GLU A 93 -2.814 5.405 -11.021 1.00 0.00 C ATOM 1470 CG GLU A 93 -1.648 5.897 -11.880 1.00 0.00 C ATOM 1471 CD GLU A 93 -1.247 4.843 -12.915 1.00 0.00 C ATOM 1472 OE1 GLU A 93 -1.895 4.822 -13.984 1.00 0.00 O ATOM 1473 OE2 GLU A 93 -0.303 4.081 -12.613 1.00 0.00 O ATOM 0 H GLU A 93 -3.606 7.426 -9.707 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.086 6.425 -12.393 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.563 5.511 -9.966 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.982 4.344 -11.203 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.929 6.821 -12.386 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.795 6.129 -11.243 1.00 0.00 H new ATOM 1480 N TYR A 94 -6.468 5.837 -11.512 1.00 0.00 N ATOM 1481 CA TYR A 94 -7.729 5.145 -11.301 1.00 0.00 C ATOM 1482 C TYR A 94 -7.722 3.773 -11.976 1.00 0.00 C ATOM 1483 O TYR A 94 -8.299 2.819 -11.457 1.00 0.00 O ATOM 1484 CB TYR A 94 -8.803 6.018 -11.956 1.00 0.00 C ATOM 1485 CG TYR A 94 -8.725 7.495 -11.569 1.00 0.00 C ATOM 1486 CD1 TYR A 94 -8.203 7.862 -10.345 1.00 0.00 C ATOM 1487 CD2 TYR A 94 -9.179 8.463 -12.443 1.00 0.00 C ATOM 1488 CE1 TYR A 94 -8.131 9.253 -9.981 1.00 0.00 C ATOM 1489 CE2 TYR A 94 -9.107 9.853 -12.078 1.00 0.00 C ATOM 1490 CZ TYR A 94 -8.587 10.180 -10.865 1.00 0.00 C ATOM 1491 OH TYR A 94 -8.518 11.495 -10.520 1.00 0.00 O ATOM 0 H TYR A 94 -6.539 6.699 -12.052 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.908 4.989 -10.237 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.716 5.932 -13.039 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.786 5.633 -11.683 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.849 7.106 -9.660 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -9.588 8.177 -13.401 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.724 9.554 -9.027 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.458 10.620 -12.753 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.878 12.043 -11.248 1.00 0.00 H new ATOM 1501 N GLU A 95 -7.061 3.716 -13.122 1.00 0.00 N ATOM 1502 CA GLU A 95 -6.971 2.475 -13.875 1.00 0.00 C ATOM 1503 C GLU A 95 -6.430 1.354 -12.985 1.00 0.00 C ATOM 1504 O GLU A 95 -7.191 0.514 -12.507 1.00 0.00 O ATOM 1505 CB GLU A 95 -6.104 2.653 -15.122 1.00 0.00 C ATOM 1506 CG GLU A 95 -6.813 3.519 -16.165 1.00 0.00 C ATOM 1507 CD GLU A 95 -5.842 3.965 -17.260 1.00 0.00 C ATOM 1508 OE1 GLU A 95 -5.502 3.107 -18.102 1.00 0.00 O ATOM 1509 OE2 GLU A 95 -5.462 5.156 -17.229 1.00 0.00 O ATOM 0 H GLU A 95 -6.582 4.509 -13.549 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.972 2.199 -14.206 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.155 3.113 -14.847 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.873 1.678 -15.551 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.635 2.959 -16.610 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.248 4.394 -15.682 1.00 0.00 H new ATOM 1516 N LYS A 96 -5.120 1.378 -12.789 1.00 0.00 N ATOM 1517 CA LYS A 96 -4.467 0.374 -11.966 1.00 0.00 C ATOM 1518 C LYS A 96 -5.235 0.223 -10.651 1.00 0.00 C ATOM 1519 O LYS A 96 -5.388 -0.886 -10.142 1.00 0.00 O ATOM 1520 CB LYS A 96 -2.988 0.713 -11.779 1.00 0.00 C ATOM 1521 CG LYS A 96 -2.231 0.616 -13.105 1.00 0.00 C ATOM 1522 CD LYS A 96 -1.897 -0.840 -13.440 1.00 0.00 C ATOM 1523 CE LYS A 96 -1.200 -0.944 -14.798 1.00 0.00 C ATOM 1524 NZ LYS A 96 -0.551 -2.265 -14.949 1.00 0.00 N ATOM 0 H LYS A 96 -4.493 2.077 -13.186 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.486 -0.597 -12.461 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.891 1.720 -11.373 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.544 0.032 -11.052 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.833 1.048 -13.904 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.312 1.200 -13.047 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.255 -1.257 -12.665 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.811 -1.434 -13.450 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.926 -0.795 -15.598 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.455 -0.154 -14.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.083 -2.318 -15.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.156 -2.393 -14.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.269 -3.014 -14.880 1.00 0.00 H new ATOM 1538 N ALA A 97 -5.697 1.354 -10.139 1.00 0.00 N ATOM 1539 CA ALA A 97 -6.444 1.361 -8.893 1.00 0.00 C ATOM 1540 C ALA A 97 -7.621 0.389 -9.003 1.00 0.00 C ATOM 1541 O ALA A 97 -7.578 -0.709 -8.449 1.00 0.00 O ATOM 1542 CB ALA A 97 -6.896 2.788 -8.577 1.00 0.00 C ATOM 0 H ALA A 97 -5.568 2.272 -10.564 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.816 1.027 -8.067 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.457 2.794 -7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.023 3.433 -8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.531 3.155 -9.383 1.00 0.00 H new ATOM 1548 N LEU A 98 -8.643 0.827 -9.722 1.00 0.00 N ATOM 1549 CA LEU A 98 -9.830 0.008 -9.912 1.00 0.00 C ATOM 1550 C LEU A 98 -9.408 -1.420 -10.263 1.00 0.00 C ATOM 1551 O LEU A 98 -9.759 -2.366 -9.560 1.00 0.00 O ATOM 1552 CB LEU A 98 -10.760 0.646 -10.946 1.00 0.00 C ATOM 1553 CG LEU A 98 -11.950 1.428 -10.384 1.00 0.00 C ATOM 1554 CD1 LEU A 98 -12.909 0.503 -9.633 1.00 0.00 C ATOM 1555 CD2 LEU A 98 -11.478 2.593 -9.514 1.00 0.00 C ATOM 0 H LEU A 98 -8.675 1.738 -10.180 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.407 -0.048 -8.989 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.171 1.318 -11.570 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.142 -0.141 -11.597 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.504 1.855 -11.220 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.745 1.084 -9.244 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.284 -0.262 -10.313 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.382 0.027 -8.806 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.343 3.132 -9.127 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.887 2.210 -8.682 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.867 3.269 -10.112 1.00 0.00 H new ATOM 1567 N LYS A 99 -8.659 -1.532 -11.350 1.00 0.00 N ATOM 1568 CA LYS A 99 -8.186 -2.828 -11.804 1.00 0.00 C ATOM 1569 C LYS A 99 -7.792 -3.675 -10.591 1.00 0.00 C ATOM 1570 O LYS A 99 -7.985 -4.889 -10.588 1.00 0.00 O ATOM 1571 CB LYS A 99 -7.061 -2.661 -12.828 1.00 0.00 C ATOM 1572 CG LYS A 99 -6.573 -4.020 -13.332 1.00 0.00 C ATOM 1573 CD LYS A 99 -5.219 -3.889 -14.033 1.00 0.00 C ATOM 1574 CE LYS A 99 -5.282 -4.446 -15.457 1.00 0.00 C ATOM 1575 NZ LYS A 99 -4.101 -5.290 -15.737 1.00 0.00 N ATOM 0 H LYS A 99 -8.368 -0.745 -11.930 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.981 -3.363 -12.324 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.415 -2.063 -13.668 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.231 -2.117 -12.377 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.488 -4.713 -12.495 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.305 -4.441 -14.022 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.920 -2.841 -14.062 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.458 -4.422 -13.464 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.193 -5.031 -15.585 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.327 -3.625 -16.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.160 -5.659 -16.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.236 -4.722 -15.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.074 -6.084 -15.066 1.00 0.00 H new ATOM 1589 N TYR A 100 -7.247 -2.998 -9.590 1.00 0.00 N ATOM 1590 CA TYR A 100 -6.825 -3.674 -8.374 1.00 0.00 C ATOM 1591 C TYR A 100 -7.985 -3.798 -7.385 1.00 0.00 C ATOM 1592 O TYR A 100 -8.151 -4.834 -6.743 1.00 0.00 O ATOM 1593 CB TYR A 100 -5.738 -2.791 -7.758 1.00 0.00 C ATOM 1594 CG TYR A 100 -4.325 -3.366 -7.883 1.00 0.00 C ATOM 1595 CD1 TYR A 100 -4.129 -4.730 -7.830 1.00 0.00 C ATOM 1596 CD2 TYR A 100 -3.247 -2.519 -8.047 1.00 0.00 C ATOM 1597 CE1 TYR A 100 -2.799 -5.272 -7.948 1.00 0.00 C ATOM 1598 CE2 TYR A 100 -1.919 -3.060 -8.164 1.00 0.00 C ATOM 1599 CZ TYR A 100 -1.759 -4.410 -8.108 1.00 0.00 C ATOM 1600 OH TYR A 100 -0.504 -4.921 -8.218 1.00 0.00 O ATOM 0 H TYR A 100 -7.088 -1.990 -9.596 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.471 -4.680 -8.597 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.765 -1.812 -8.237 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -5.964 -2.636 -6.703 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.972 -5.392 -7.700 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -3.401 -1.451 -8.087 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.632 -6.338 -7.910 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.067 -2.409 -8.293 1.00 0.00 H new ATOM 0 HH TYR A 100 0.128 -4.197 -8.408 1.00 0.00 H new ATOM 1610 N VAL A 101 -8.759 -2.726 -7.292 1.00 0.00 N ATOM 1611 CA VAL A 101 -9.899 -2.703 -6.391 1.00 0.00 C ATOM 1612 C VAL A 101 -10.918 -3.753 -6.837 1.00 0.00 C ATOM 1613 O VAL A 101 -11.415 -4.527 -6.020 1.00 0.00 O ATOM 1614 CB VAL A 101 -10.486 -1.291 -6.327 1.00 0.00 C ATOM 1615 CG1 VAL A 101 -11.927 -1.272 -6.841 1.00 0.00 C ATOM 1616 CG2 VAL A 101 -10.403 -0.727 -4.908 1.00 0.00 C ATOM 0 H VAL A 101 -8.619 -1.868 -7.825 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.590 -2.960 -5.378 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.890 -0.651 -6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.320 -0.257 -6.785 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.949 -1.612 -7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -12.540 -1.933 -6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.827 0.277 -4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.963 -1.369 -4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.360 -0.686 -4.593 1.00 0.00 H new ATOM 1626 N ARG A 102 -11.199 -3.747 -8.132 1.00 0.00 N ATOM 1627 CA ARG A 102 -12.149 -4.691 -8.696 1.00 0.00 C ATOM 1628 C ARG A 102 -11.658 -6.125 -8.489 1.00 0.00 C ATOM 1629 O ARG A 102 -12.461 -7.038 -8.303 1.00 0.00 O ATOM 1630 CB ARG A 102 -12.353 -4.439 -10.191 1.00 0.00 C ATOM 1631 CG ARG A 102 -12.744 -2.984 -10.454 1.00 0.00 C ATOM 1632 CD ARG A 102 -14.141 -2.685 -9.907 1.00 0.00 C ATOM 1633 NE ARG A 102 -15.155 -2.898 -10.965 1.00 0.00 N ATOM 1634 CZ ARG A 102 -15.787 -4.060 -11.177 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -15.512 -5.122 -10.408 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -16.692 -4.161 -12.160 1.00 0.00 N ATOM 0 H ARG A 102 -10.785 -3.103 -8.807 1.00 0.00 H new ATOM 0 HA ARG A 102 -13.100 -4.552 -8.183 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.437 -4.676 -10.732 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -13.129 -5.102 -10.573 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -12.017 -2.318 -9.989 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -12.719 -2.785 -11.525 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.352 -3.330 -9.054 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -14.188 -1.657 -9.548 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.387 -2.110 -11.570 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.821 -5.046 -9.661 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.993 -6.007 -10.569 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.900 -3.353 -12.747 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -17.173 -5.046 -12.321 1.00 0.00 H new ATOM 1650 N GLY A 103 -10.344 -6.279 -8.530 1.00 0.00 N ATOM 1651 CA GLY A 103 -9.737 -7.588 -8.350 1.00 0.00 C ATOM 1652 C GLY A 103 -9.655 -7.954 -6.866 1.00 0.00 C ATOM 1653 O GLY A 103 -9.283 -9.074 -6.520 1.00 0.00 O ATOM 0 H GLY A 103 -9.681 -5.519 -8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.320 -8.340 -8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.738 -7.593 -8.785 1.00 0.00 H new ATOM 1657 N LEU A 104 -10.008 -6.989 -6.031 1.00 0.00 N ATOM 1658 CA LEU A 104 -9.979 -7.196 -4.593 1.00 0.00 C ATOM 1659 C LEU A 104 -11.404 -7.436 -4.088 1.00 0.00 C ATOM 1660 O LEU A 104 -11.662 -8.414 -3.388 1.00 0.00 O ATOM 1661 CB LEU A 104 -9.268 -6.033 -3.898 1.00 0.00 C ATOM 1662 CG LEU A 104 -9.219 -6.093 -2.370 1.00 0.00 C ATOM 1663 CD1 LEU A 104 -10.442 -5.411 -1.754 1.00 0.00 C ATOM 1664 CD2 LEU A 104 -9.061 -7.536 -1.883 1.00 0.00 C ATOM 0 H LEU A 104 -10.316 -6.061 -6.322 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.399 -8.086 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.246 -5.982 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.761 -5.106 -4.190 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.341 -5.541 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.382 -5.468 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.469 -4.366 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.348 -5.913 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.029 -7.551 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.906 -8.131 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.136 -7.954 -2.279 1.00 0.00 H new ATOM 1676 N LEU A 105 -12.291 -6.526 -4.463 1.00 0.00 N ATOM 1677 CA LEU A 105 -13.683 -6.627 -4.056 1.00 0.00 C ATOM 1678 C LEU A 105 -14.152 -8.074 -4.215 1.00 0.00 C ATOM 1679 O LEU A 105 -14.984 -8.549 -3.443 1.00 0.00 O ATOM 1680 CB LEU A 105 -14.539 -5.614 -4.821 1.00 0.00 C ATOM 1681 CG LEU A 105 -14.660 -4.227 -4.189 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -15.604 -4.253 -2.985 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -13.284 -3.666 -3.827 1.00 0.00 C ATOM 0 H LEU A 105 -12.074 -5.716 -5.044 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.792 -6.371 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.124 -5.500 -5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.541 -6.028 -4.936 1.00 0.00 H new ATOM 0 HG LEU A 105 -15.097 -3.554 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -15.672 -3.254 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.594 -4.578 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.220 -4.945 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.400 -2.679 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.795 -4.332 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -12.675 -3.587 -4.727 1.00 0.00 H new ATOM 1695 N GLN A 106 -13.600 -8.735 -5.222 1.00 0.00 N ATOM 1696 CA GLN A 106 -13.952 -10.118 -5.491 1.00 0.00 C ATOM 1697 C GLN A 106 -13.909 -10.938 -4.200 1.00 0.00 C ATOM 1698 O GLN A 106 -14.934 -11.447 -3.748 1.00 0.00 O ATOM 1699 CB GLN A 106 -13.032 -10.721 -6.555 1.00 0.00 C ATOM 1700 CG GLN A 106 -13.794 -10.981 -7.855 1.00 0.00 C ATOM 1701 CD GLN A 106 -13.856 -12.479 -8.164 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -13.008 -13.034 -8.845 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -14.903 -13.100 -7.628 1.00 0.00 N ATOM 0 H GLN A 106 -12.911 -8.338 -5.861 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.970 -10.144 -5.881 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.199 -10.044 -6.747 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -12.606 -11.654 -6.186 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -14.805 -10.580 -7.775 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -13.307 -10.456 -8.677 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -15.575 -12.576 -7.068 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.033 -14.101 -7.777 1.00 0.00 H new ATOM 1712 N THR A 107 -12.712 -11.043 -3.642 1.00 0.00 N ATOM 1713 CA THR A 107 -12.521 -11.792 -2.412 1.00 0.00 C ATOM 1714 C THR A 107 -12.924 -10.946 -1.204 1.00 0.00 C ATOM 1715 O THR A 107 -12.878 -11.416 -0.069 1.00 0.00 O ATOM 1716 CB THR A 107 -11.067 -12.263 -2.367 1.00 0.00 C ATOM 1717 OG1 THR A 107 -10.960 -12.940 -1.116 1.00 0.00 O ATOM 1718 CG2 THR A 107 -10.078 -11.101 -2.246 1.00 0.00 C ATOM 0 H THR A 107 -11.864 -10.621 -4.020 1.00 0.00 H new ATOM 0 HA THR A 107 -13.164 -12.672 -2.381 1.00 0.00 H new ATOM 0 HB THR A 107 -10.844 -12.838 -3.266 1.00 0.00 H new ATOM 0 HG1 THR A 107 -11.758 -12.759 -0.577 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.060 -11.491 -2.218 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.189 -10.438 -3.104 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.279 -10.546 -1.330 1.00 0.00 H new ATOM 1726 N GLU A 108 -13.310 -9.710 -1.489 1.00 0.00 N ATOM 1727 CA GLU A 108 -13.721 -8.794 -0.439 1.00 0.00 C ATOM 1728 C GLU A 108 -14.927 -7.970 -0.896 1.00 0.00 C ATOM 1729 O GLU A 108 -14.849 -6.746 -0.989 1.00 0.00 O ATOM 1730 CB GLU A 108 -12.564 -7.885 -0.021 1.00 0.00 C ATOM 1731 CG GLU A 108 -11.304 -8.701 0.273 1.00 0.00 C ATOM 1732 CD GLU A 108 -11.389 -9.362 1.650 1.00 0.00 C ATOM 1733 OE1 GLU A 108 -12.424 -10.016 1.904 1.00 0.00 O ATOM 1734 OE2 GLU A 108 -10.417 -9.199 2.419 1.00 0.00 O ATOM 0 H GLU A 108 -13.347 -9.322 -2.432 1.00 0.00 H new ATOM 0 HA GLU A 108 -14.014 -9.379 0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.358 -7.165 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.847 -7.314 0.864 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.174 -9.465 -0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.428 -8.053 0.230 1.00 0.00 H new ATOM 1741 N PRO A 109 -16.044 -8.694 -1.177 1.00 0.00 N ATOM 1742 CA PRO A 109 -17.265 -8.043 -1.622 1.00 0.00 C ATOM 1743 C PRO A 109 -17.969 -7.344 -0.458 1.00 0.00 C ATOM 1744 O PRO A 109 -18.418 -6.207 -0.592 1.00 0.00 O ATOM 1745 CB PRO A 109 -18.099 -9.153 -2.240 1.00 0.00 C ATOM 1746 CG PRO A 109 -17.524 -10.455 -1.705 1.00 0.00 C ATOM 1747 CD PRO A 109 -16.173 -10.145 -1.079 1.00 0.00 C ATOM 0 HA PRO A 109 -17.079 -7.251 -2.347 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -19.150 -9.049 -1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -18.047 -9.121 -3.328 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -18.195 -10.894 -0.967 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -17.414 -11.183 -2.509 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -16.132 -10.477 -0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -15.366 -10.651 -1.608 1.00 0.00 H new ATOM 1755 N GLN A 110 -18.043 -8.053 0.659 1.00 0.00 N ATOM 1756 CA GLN A 110 -18.685 -7.515 1.847 1.00 0.00 C ATOM 1757 C GLN A 110 -17.849 -6.372 2.429 1.00 0.00 C ATOM 1758 O GLN A 110 -18.369 -5.529 3.160 1.00 0.00 O ATOM 1759 CB GLN A 110 -18.918 -8.610 2.889 1.00 0.00 C ATOM 1760 CG GLN A 110 -17.648 -8.872 3.701 1.00 0.00 C ATOM 1761 CD GLN A 110 -17.672 -10.272 4.320 1.00 0.00 C ATOM 1762 OE1 GLN A 110 -18.316 -10.523 5.325 1.00 0.00 O ATOM 1763 NE2 GLN A 110 -16.936 -11.165 3.665 1.00 0.00 N ATOM 0 H GLN A 110 -17.669 -8.996 0.767 1.00 0.00 H new ATOM 0 HA GLN A 110 -19.660 -7.119 1.562 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -19.727 -8.315 3.557 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -19.233 -9.528 2.393 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.774 -8.770 3.058 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -17.555 -8.124 4.488 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.421 -10.887 2.829 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.886 -12.128 3.998 1.00 0.00 H new ATOM 1772 N ASN A 111 -16.571 -6.380 2.084 1.00 0.00 N ATOM 1773 CA ASN A 111 -15.660 -5.354 2.563 1.00 0.00 C ATOM 1774 C ASN A 111 -16.141 -3.985 2.081 1.00 0.00 C ATOM 1775 O ASN A 111 -16.124 -3.702 0.884 1.00 0.00 O ATOM 1776 CB ASN A 111 -14.247 -5.577 2.020 1.00 0.00 C ATOM 1777 CG ASN A 111 -13.314 -4.437 2.436 1.00 0.00 C ATOM 1778 OD1 ASN A 111 -13.734 -3.412 2.948 1.00 0.00 O ATOM 1779 ND2 ASN A 111 -12.029 -4.670 2.186 1.00 0.00 N ATOM 0 H ASN A 111 -16.144 -7.081 1.478 1.00 0.00 H new ATOM 0 HA ASN A 111 -15.640 -5.402 3.652 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -13.857 -6.525 2.390 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.278 -5.648 0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.328 -3.969 2.425 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.745 -5.550 1.755 1.00 0.00 H new ATOM 1786 N ASN A 112 -16.559 -3.170 3.038 1.00 0.00 N ATOM 1787 CA ASN A 112 -17.045 -1.836 2.726 1.00 0.00 C ATOM 1788 C ASN A 112 -15.883 -0.982 2.217 1.00 0.00 C ATOM 1789 O ASN A 112 -15.971 -0.385 1.144 1.00 0.00 O ATOM 1790 CB ASN A 112 -17.623 -1.156 3.969 1.00 0.00 C ATOM 1791 CG ASN A 112 -18.565 -2.097 4.721 1.00 0.00 C ATOM 1792 OD1 ASN A 112 -19.000 -3.118 4.214 1.00 0.00 O ATOM 1793 ND2 ASN A 112 -18.856 -1.698 5.956 1.00 0.00 N ATOM 0 H ASN A 112 -16.571 -3.407 4.030 1.00 0.00 H new ATOM 0 HA ASN A 112 -17.825 -1.929 1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -16.812 -0.845 4.628 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -18.161 -0.254 3.677 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -19.478 -2.258 6.540 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -18.458 -0.832 6.319 1.00 0.00 H new ATOM 1800 N GLN A 113 -14.821 -0.950 3.009 1.00 0.00 N ATOM 1801 CA GLN A 113 -13.643 -0.178 2.651 1.00 0.00 C ATOM 1802 C GLN A 113 -13.359 -0.307 1.153 1.00 0.00 C ATOM 1803 O GLN A 113 -13.106 0.689 0.478 1.00 0.00 O ATOM 1804 CB GLN A 113 -12.432 -0.611 3.479 1.00 0.00 C ATOM 1805 CG GLN A 113 -12.536 -0.094 4.915 1.00 0.00 C ATOM 1806 CD GLN A 113 -11.214 0.527 5.371 1.00 0.00 C ATOM 1807 OE1 GLN A 113 -10.665 1.414 4.739 1.00 0.00 O ATOM 1808 NE2 GLN A 113 -10.735 0.013 6.501 1.00 0.00 N ATOM 0 H GLN A 113 -14.752 -1.446 3.897 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.838 0.871 2.874 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -12.361 -1.699 3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.519 -0.234 3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -13.332 0.647 4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.806 -0.913 5.582 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -11.245 -0.729 6.980 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -9.858 0.361 6.888 1.00 0.00 H new ATOM 1817 N ALA A 114 -13.412 -1.543 0.678 1.00 0.00 N ATOM 1818 CA ALA A 114 -13.163 -1.815 -0.727 1.00 0.00 C ATOM 1819 C ALA A 114 -14.319 -1.260 -1.562 1.00 0.00 C ATOM 1820 O ALA A 114 -14.098 -0.655 -2.610 1.00 0.00 O ATOM 1821 CB ALA A 114 -12.966 -3.319 -0.929 1.00 0.00 C ATOM 0 H ALA A 114 -13.624 -2.367 1.241 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.250 -1.320 -1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.779 -3.523 -1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.115 -3.657 -0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.863 -3.850 -0.610 1.00 0.00 H new ATOM 1827 N LYS A 115 -15.526 -1.487 -1.066 1.00 0.00 N ATOM 1828 CA LYS A 115 -16.717 -1.018 -1.754 1.00 0.00 C ATOM 1829 C LYS A 115 -16.608 0.490 -1.983 1.00 0.00 C ATOM 1830 O LYS A 115 -16.734 0.961 -3.112 1.00 0.00 O ATOM 1831 CB LYS A 115 -17.976 -1.435 -0.990 1.00 0.00 C ATOM 1832 CG LYS A 115 -18.378 -2.870 -1.336 1.00 0.00 C ATOM 1833 CD LYS A 115 -19.772 -3.194 -0.796 1.00 0.00 C ATOM 1834 CE LYS A 115 -20.746 -3.493 -1.938 1.00 0.00 C ATOM 1835 NZ LYS A 115 -22.126 -3.627 -1.421 1.00 0.00 N ATOM 0 H LYS A 115 -15.705 -1.989 -0.196 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.798 -1.484 -2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.799 -1.352 0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.794 -0.756 -1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -18.363 -3.005 -2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.651 -3.566 -0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -19.716 -4.052 -0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.142 -2.354 -0.208 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -20.705 -2.694 -2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -20.450 -4.412 -2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -22.774 -3.830 -2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -22.165 -4.405 -0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -22.411 -2.740 -0.958 1.00 0.00 H new ATOM 1849 N GLU A 116 -16.375 1.207 -0.893 1.00 0.00 N ATOM 1850 CA GLU A 116 -16.247 2.652 -0.961 1.00 0.00 C ATOM 1851 C GLU A 116 -15.106 3.041 -1.904 1.00 0.00 C ATOM 1852 O GLU A 116 -15.284 3.880 -2.786 1.00 0.00 O ATOM 1853 CB GLU A 116 -16.034 3.250 0.431 1.00 0.00 C ATOM 1854 CG GLU A 116 -17.364 3.401 1.173 1.00 0.00 C ATOM 1855 CD GLU A 116 -17.748 4.875 1.316 1.00 0.00 C ATOM 1856 OE1 GLU A 116 -17.319 5.477 2.324 1.00 0.00 O ATOM 1857 OE2 GLU A 116 -18.462 5.365 0.415 1.00 0.00 O ATOM 0 H GLU A 116 -16.272 0.813 0.042 1.00 0.00 H new ATOM 0 HA GLU A 116 -17.176 3.060 -1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.363 2.612 1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.550 4.223 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -18.148 2.868 0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.288 2.944 2.160 1.00 0.00 H new ATOM 1864 N LEU A 117 -13.960 2.412 -1.686 1.00 0.00 N ATOM 1865 CA LEU A 117 -12.792 2.682 -2.506 1.00 0.00 C ATOM 1866 C LEU A 117 -13.198 2.682 -3.981 1.00 0.00 C ATOM 1867 O LEU A 117 -12.974 3.662 -4.690 1.00 0.00 O ATOM 1868 CB LEU A 117 -11.668 1.696 -2.177 1.00 0.00 C ATOM 1869 CG LEU A 117 -10.242 2.226 -2.343 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -9.226 1.081 -2.316 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -10.116 3.074 -3.609 1.00 0.00 C ATOM 0 H LEU A 117 -13.816 1.717 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.392 3.672 -2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -11.793 1.363 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -11.784 0.818 -2.812 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.018 2.876 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.220 1.484 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.295 0.556 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.438 0.387 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.093 3.438 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.367 2.468 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -10.799 3.922 -3.549 1.00 0.00 H new ATOM 1883 N GLU A 118 -13.785 1.572 -4.400 1.00 0.00 N ATOM 1884 CA GLU A 118 -14.225 1.432 -5.778 1.00 0.00 C ATOM 1885 C GLU A 118 -15.079 2.633 -6.188 1.00 0.00 C ATOM 1886 O GLU A 118 -15.213 2.928 -7.374 1.00 0.00 O ATOM 1887 CB GLU A 118 -14.989 0.120 -5.979 1.00 0.00 C ATOM 1888 CG GLU A 118 -15.575 0.040 -7.390 1.00 0.00 C ATOM 1889 CD GLU A 118 -17.096 0.208 -7.362 1.00 0.00 C ATOM 1890 OE1 GLU A 118 -17.772 -0.793 -7.046 1.00 0.00 O ATOM 1891 OE2 GLU A 118 -17.547 1.335 -7.659 1.00 0.00 O ATOM 0 H GLU A 118 -13.967 0.760 -3.810 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.344 1.403 -6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -14.321 -0.724 -5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -15.790 0.045 -5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -15.131 0.814 -8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.320 -0.919 -7.840 1.00 0.00 H new ATOM 1898 N ARG A 119 -15.635 3.293 -5.183 1.00 0.00 N ATOM 1899 CA ARG A 119 -16.473 4.455 -5.424 1.00 0.00 C ATOM 1900 C ARG A 119 -15.651 5.740 -5.285 1.00 0.00 C ATOM 1901 O ARG A 119 -15.898 6.718 -5.988 1.00 0.00 O ATOM 1902 CB ARG A 119 -17.647 4.501 -4.445 1.00 0.00 C ATOM 1903 CG ARG A 119 -18.842 3.714 -4.985 1.00 0.00 C ATOM 1904 CD ARG A 119 -20.162 4.330 -4.516 1.00 0.00 C ATOM 1905 NE ARG A 119 -21.295 3.465 -4.914 1.00 0.00 N ATOM 1906 CZ ARG A 119 -22.548 3.612 -4.463 1.00 0.00 C ATOM 1907 NH1 ARG A 119 -22.837 4.593 -3.597 1.00 0.00 N ATOM 1908 NH2 ARG A 119 -23.512 2.780 -4.879 1.00 0.00 N ATOM 0 H ARG A 119 -15.522 3.045 -4.200 1.00 0.00 H new ATOM 0 HA ARG A 119 -16.864 4.377 -6.438 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.340 4.089 -3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -17.938 5.537 -4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -18.810 3.700 -6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -18.781 2.678 -4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -20.151 4.453 -3.433 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -20.283 5.323 -4.948 1.00 0.00 H new ATOM 0 HE ARG A 119 -21.110 2.709 -5.573 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -22.103 5.227 -3.282 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -23.791 4.705 -3.253 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -23.292 2.034 -5.539 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -24.466 2.892 -4.535 1.00 0.00 H new ATOM 1922 N LEU A 120 -14.692 5.695 -4.373 1.00 0.00 N ATOM 1923 CA LEU A 120 -13.833 6.841 -4.132 1.00 0.00 C ATOM 1924 C LEU A 120 -13.258 7.330 -5.464 1.00 0.00 C ATOM 1925 O LEU A 120 -13.356 8.513 -5.789 1.00 0.00 O ATOM 1926 CB LEU A 120 -12.766 6.503 -3.089 1.00 0.00 C ATOM 1927 CG LEU A 120 -13.261 6.350 -1.650 1.00 0.00 C ATOM 1928 CD1 LEU A 120 -12.438 7.215 -0.692 1.00 0.00 C ATOM 1929 CD2 LEU A 120 -14.759 6.649 -1.549 1.00 0.00 C ATOM 0 H LEU A 120 -14.491 4.882 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 120 -14.408 7.665 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -12.278 5.575 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.006 7.284 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 120 -13.120 5.312 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -12.811 7.088 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -11.392 6.912 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.525 8.262 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -15.084 6.533 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -14.949 7.671 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -15.312 5.956 -2.183 1.00 0.00 H new ATOM 1941 N ILE A 121 -12.671 6.396 -6.196 1.00 0.00 N ATOM 1942 CA ILE A 121 -12.080 6.717 -7.485 1.00 0.00 C ATOM 1943 C ILE A 121 -13.192 7.035 -8.486 1.00 0.00 C ATOM 1944 O ILE A 121 -13.090 7.994 -9.249 1.00 0.00 O ATOM 1945 CB ILE A 121 -11.145 5.595 -7.940 1.00 0.00 C ATOM 1946 CG1 ILE A 121 -10.025 5.368 -6.924 1.00 0.00 C ATOM 1947 CG2 ILE A 121 -10.600 5.871 -9.343 1.00 0.00 C ATOM 1948 CD1 ILE A 121 -10.118 3.970 -6.309 1.00 0.00 C ATOM 0 H ILE A 121 -12.591 5.417 -5.922 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.457 7.608 -7.407 1.00 0.00 H new ATOM 0 HB ILE A 121 -11.721 4.671 -7.994 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.057 5.492 -7.410 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.085 6.120 -6.137 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -9.938 5.058 -9.643 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -11.429 5.943 -10.048 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -10.045 6.809 -9.340 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.310 3.834 -5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -11.077 3.858 -5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.033 3.220 -7.096 1.00 0.00 H new ATOM 1960 N ASP A 122 -14.231 6.212 -8.450 1.00 0.00 N ATOM 1961 CA ASP A 122 -15.360 6.394 -9.345 1.00 0.00 C ATOM 1962 C ASP A 122 -15.685 7.885 -9.454 1.00 0.00 C ATOM 1963 O ASP A 122 -16.094 8.359 -10.513 1.00 0.00 O ATOM 1964 CB ASP A 122 -16.603 5.676 -8.815 1.00 0.00 C ATOM 1965 CG ASP A 122 -17.709 5.449 -9.848 1.00 0.00 C ATOM 1966 OD1 ASP A 122 -17.462 5.784 -11.027 1.00 0.00 O ATOM 1967 OD2 ASP A 122 -18.776 4.946 -9.435 1.00 0.00 O ATOM 0 H ASP A 122 -14.314 5.418 -7.815 1.00 0.00 H new ATOM 0 HA ASP A 122 -15.090 5.980 -10.317 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -16.301 4.710 -8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -17.013 6.255 -7.987 1.00 0.00 H new ATOM 1972 N LYS A 123 -15.490 8.583 -8.344 1.00 0.00 N ATOM 1973 CA LYS A 123 -15.757 10.010 -8.301 1.00 0.00 C ATOM 1974 C LYS A 123 -14.574 10.764 -8.912 1.00 0.00 C ATOM 1975 O LYS A 123 -14.760 11.643 -9.753 1.00 0.00 O ATOM 1976 CB LYS A 123 -16.096 10.449 -6.875 1.00 0.00 C ATOM 1977 CG LYS A 123 -17.589 10.275 -6.588 1.00 0.00 C ATOM 1978 CD LYS A 123 -18.154 11.498 -5.863 1.00 0.00 C ATOM 1979 CE LYS A 123 -19.371 12.059 -6.601 1.00 0.00 C ATOM 1980 NZ LYS A 123 -20.221 12.845 -5.678 1.00 0.00 N ATOM 0 H LYS A 123 -15.150 8.186 -7.468 1.00 0.00 H new ATOM 0 HA LYS A 123 -16.634 10.252 -8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -15.514 9.864 -6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -15.814 11.493 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -18.127 10.121 -7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -17.745 9.384 -5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -18.435 11.225 -4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -17.385 12.267 -5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -19.043 12.689 -7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -19.950 11.243 -7.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -21.042 13.218 -6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -20.549 12.234 -4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -19.670 13.635 -5.287 1.00 0.00 H new ATOM 1994 N ALA A 124 -13.383 10.394 -8.466 1.00 0.00 N ATOM 1995 CA ALA A 124 -12.170 11.024 -8.958 1.00 0.00 C ATOM 1996 C ALA A 124 -12.222 11.096 -10.485 1.00 0.00 C ATOM 1997 O ALA A 124 -12.179 12.182 -11.060 1.00 0.00 O ATOM 1998 CB ALA A 124 -10.951 10.251 -8.451 1.00 0.00 C ATOM 0 H ALA A 124 -13.232 9.665 -7.769 1.00 0.00 H new ATOM 0 HA ALA A 124 -12.087 12.044 -8.583 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -10.041 10.724 -8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -10.945 10.255 -7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -10.997 9.223 -8.810 1.00 0.00 H new ATOM 2004 N MET A 125 -12.312 9.925 -11.098 1.00 0.00 N ATOM 2005 CA MET A 125 -12.370 9.841 -12.547 1.00 0.00 C ATOM 2006 C MET A 125 -13.230 10.965 -13.128 1.00 0.00 C ATOM 2007 O MET A 125 -12.838 11.617 -14.094 1.00 0.00 O ATOM 2008 CB MET A 125 -12.952 8.487 -12.959 1.00 0.00 C ATOM 2009 CG MET A 125 -12.111 7.337 -12.403 1.00 0.00 C ATOM 2010 SD MET A 125 -11.439 6.369 -13.744 1.00 0.00 S ATOM 2011 CE MET A 125 -11.570 4.734 -13.042 1.00 0.00 C ATOM 0 H MET A 125 -12.346 9.026 -10.617 1.00 0.00 H new ATOM 0 HA MET A 125 -11.358 9.944 -12.938 1.00 0.00 H new ATOM 0 HB2 MET A 125 -13.976 8.402 -12.596 1.00 0.00 H new ATOM 0 HB3 MET A 125 -12.992 8.420 -14.046 1.00 0.00 H new ATOM 0 HG2 MET A 125 -11.303 7.731 -11.787 1.00 0.00 H new ATOM 0 HG3 MET A 125 -12.723 6.706 -11.759 1.00 0.00 H new ATOM 0 HE1 MET A 125 -10.626 4.205 -13.173 1.00 0.00 H new ATOM 0 HE2 MET A 125 -11.798 4.812 -11.979 1.00 0.00 H new ATOM 0 HE3 MET A 125 -12.366 4.185 -13.545 1.00 0.00 H new ATOM 2021 N LYS A 126 -14.388 11.157 -12.514 1.00 0.00 N ATOM 2022 CA LYS A 126 -15.308 12.192 -12.957 1.00 0.00 C ATOM 2023 C LYS A 126 -14.740 13.565 -12.594 1.00 0.00 C ATOM 2024 O LYS A 126 -14.796 14.496 -13.395 1.00 0.00 O ATOM 2025 CB LYS A 126 -16.709 11.939 -12.396 1.00 0.00 C ATOM 2026 CG LYS A 126 -17.162 13.099 -11.507 1.00 0.00 C ATOM 2027 CD LYS A 126 -18.683 13.099 -11.338 1.00 0.00 C ATOM 2028 CE LYS A 126 -19.211 14.520 -11.137 1.00 0.00 C ATOM 2029 NZ LYS A 126 -20.661 14.497 -10.837 1.00 0.00 N ATOM 0 H LYS A 126 -14.711 10.614 -11.713 1.00 0.00 H new ATOM 0 HA LYS A 126 -15.414 12.168 -14.042 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -17.415 11.808 -13.216 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.713 11.013 -11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -16.684 13.022 -10.530 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -16.841 14.044 -11.945 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -19.150 12.654 -12.217 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -18.958 12.481 -10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -18.672 15.002 -10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -19.028 15.112 -12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -21.003 15.470 -10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -21.172 14.056 -11.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -20.827 13.949 -9.969 1.00 0.00 H new ATOM 2043 N LYS A 127 -14.204 13.646 -11.385 1.00 0.00 N ATOM 2044 CA LYS A 127 -13.625 14.891 -10.906 1.00 0.00 C ATOM 2045 C LYS A 127 -12.555 15.363 -11.892 1.00 0.00 C ATOM 2046 O LYS A 127 -12.776 16.311 -12.644 1.00 0.00 O ATOM 2047 CB LYS A 127 -13.110 14.725 -9.474 1.00 0.00 C ATOM 2048 CG LYS A 127 -14.269 14.696 -8.475 1.00 0.00 C ATOM 2049 CD LYS A 127 -13.958 13.764 -7.303 1.00 0.00 C ATOM 2050 CE LYS A 127 -14.590 14.281 -6.009 1.00 0.00 C ATOM 2051 NZ LYS A 127 -13.581 14.344 -4.928 1.00 0.00 N ATOM 0 H LYS A 127 -14.158 12.871 -10.723 1.00 0.00 H new ATOM 0 HA LYS A 127 -14.384 15.672 -10.860 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -12.534 13.803 -9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.434 15.545 -9.229 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -14.459 15.703 -8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -15.178 14.365 -8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -14.332 12.763 -7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.879 13.680 -7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -15.016 15.271 -6.175 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -15.410 13.627 -5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -14.027 14.697 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -13.194 13.394 -4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -12.812 14.986 -5.208 1.00 0.00 H new