USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 786 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 98 ASN : amide:sc= 0 X(o=-1.3,f=-1.7) USER MOD Set 1.2: A 102 SER OG : rot 17:sc= -1.33! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.359 F(o=-1.9,f=-0.36) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.204) USER MOD Single : A 24 LYS NZ :NH3+ -135:sc= -1.3 (180deg=-2.86!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -155:sc= -0.268! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.092) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -4.84! C(o=-7.4!,f=-4.8!) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.15) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc=-0.00774 X(o=-0.0077,f=0) USER MOD Single : A 45 CYS SG : rot 46:sc= 0.375 USER MOD Single : A 50 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-3.2!) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.612 F(o=-2.7!,f=-0.61) USER MOD Single : A 61 SER OG : rot 22:sc= 0.245 USER MOD Single : A 63 THR OG1 : rot 161:sc= -2.7 USER MOD Single : A 74 HIS :FLIP no HE2:sc= -18.6! C(o=-19!,f=-19!) USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= -0.0841 (180deg=-0.879) USER MOD Single : A 79 ASN : amide:sc= 0.4 K(o=0.4,f=-3.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS :FLIP no HD1:sc= -8.72 F(o=-9.7!,f=-8.7) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 5 -32.474 7.473 11.824 1.00 0.00 N ATOM 54 CA LEU A 5 -31.336 8.218 11.313 1.00 0.00 C ATOM 55 C LEU A 5 -31.831 9.305 10.357 1.00 0.00 C ATOM 56 O LEU A 5 -31.047 9.875 9.600 1.00 0.00 O ATOM 57 CB LEU A 5 -30.312 7.268 10.687 1.00 0.00 C ATOM 58 CG LEU A 5 -30.311 5.835 11.223 1.00 0.00 C ATOM 59 CD1 LEU A 5 -30.627 4.834 10.110 1.00 0.00 C ATOM 60 CD2 LEU A 5 -28.990 5.514 11.925 1.00 0.00 C ATOM 0 HA LEU A 5 -30.814 8.722 12.126 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -30.489 7.233 9.612 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -29.318 7.690 10.833 1.00 0.00 H new ATOM 0 HG LEU A 5 -31.101 5.748 11.969 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -30.620 3.823 10.517 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -31.611 5.051 9.694 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -29.875 4.914 9.325 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -29.015 4.490 12.297 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -28.167 5.624 11.219 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -28.846 6.200 12.760 1.00 0.00 H new ATOM 72 N VAL A 6 -33.130 9.559 10.423 1.00 0.00 N ATOM 73 CA VAL A 6 -33.739 10.568 9.573 1.00 0.00 C ATOM 74 C VAL A 6 -33.784 11.901 10.322 1.00 0.00 C ATOM 75 O VAL A 6 -33.814 12.964 9.704 1.00 0.00 O ATOM 76 CB VAL A 6 -35.119 10.097 9.108 1.00 0.00 C ATOM 77 CG1 VAL A 6 -35.927 11.258 8.525 1.00 0.00 C ATOM 78 CG2 VAL A 6 -34.997 8.952 8.100 1.00 0.00 C ATOM 0 H VAL A 6 -33.777 9.084 11.052 1.00 0.00 H new ATOM 0 HA VAL A 6 -33.142 10.720 8.674 1.00 0.00 H new ATOM 0 HB VAL A 6 -35.655 9.720 9.979 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -36.903 10.896 8.202 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -36.059 12.028 9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -35.396 11.679 7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -35.992 8.636 7.786 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -34.433 9.291 7.231 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -34.480 8.112 8.564 1.00 0.00 H new ATOM 88 N LYS A 7 -33.786 11.801 11.643 1.00 0.00 N ATOM 89 CA LYS A 7 -33.826 12.986 12.483 1.00 0.00 C ATOM 90 C LYS A 7 -32.430 13.608 12.546 1.00 0.00 C ATOM 91 O LYS A 7 -32.130 14.377 13.458 1.00 0.00 O ATOM 92 CB LYS A 7 -34.412 12.649 13.856 1.00 0.00 C ATOM 93 CG LYS A 7 -35.786 13.298 14.040 1.00 0.00 C ATOM 94 CD LYS A 7 -36.833 12.624 13.151 1.00 0.00 C ATOM 95 CE LYS A 7 -37.752 11.721 13.976 1.00 0.00 C ATOM 96 NZ LYS A 7 -38.798 11.122 13.117 1.00 0.00 N ATOM 0 H LYS A 7 -33.761 10.918 12.152 1.00 0.00 H new ATOM 0 HA LYS A 7 -34.490 13.736 12.054 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -34.499 11.568 13.963 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -33.736 12.993 14.638 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -36.089 13.226 15.084 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -35.727 14.359 13.798 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -37.426 13.383 12.641 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -36.336 12.036 12.379 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -37.167 10.933 14.450 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -38.216 12.298 14.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -39.413 10.512 13.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -39.367 11.878 12.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -38.350 10.555 12.369 1.00 0.00 H new ATOM 110 N GLY A 8 -31.613 13.253 11.565 1.00 0.00 N ATOM 111 CA GLY A 8 -30.256 13.767 11.498 1.00 0.00 C ATOM 112 C GLY A 8 -29.419 12.975 10.492 1.00 0.00 C ATOM 113 O GLY A 8 -28.489 12.267 10.874 1.00 0.00 O ATOM 0 H GLY A 8 -31.865 12.615 10.810 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -30.275 14.819 11.212 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -29.794 13.713 12.484 1.00 0.00 H new ATOM 117 N PRO A 9 -29.789 13.125 9.192 1.00 0.00 N ATOM 118 CA PRO A 9 -29.083 12.432 8.128 1.00 0.00 C ATOM 119 C PRO A 9 -27.727 13.086 7.853 1.00 0.00 C ATOM 120 O PRO A 9 -27.662 14.261 7.497 1.00 0.00 O ATOM 121 CB PRO A 9 -30.021 12.485 6.933 1.00 0.00 C ATOM 122 CG PRO A 9 -31.010 13.600 7.229 1.00 0.00 C ATOM 123 CD PRO A 9 -30.886 13.955 8.702 1.00 0.00 C ATOM 0 HA PRO A 9 -28.845 11.400 8.385 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -29.471 12.685 6.013 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -30.535 11.533 6.797 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -30.801 14.471 6.608 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -32.026 13.280 6.998 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -30.671 15.015 8.837 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -31.811 13.746 9.239 1.00 0.00 H new ATOM 131 N TRP A 10 -26.678 12.295 8.029 1.00 0.00 N ATOM 132 CA TRP A 10 -25.328 12.783 7.805 1.00 0.00 C ATOM 133 C TRP A 10 -25.069 12.781 6.297 1.00 0.00 C ATOM 134 O TRP A 10 -25.879 12.270 5.525 1.00 0.00 O ATOM 135 CB TRP A 10 -24.308 11.952 8.587 1.00 0.00 C ATOM 136 CG TRP A 10 -24.552 11.930 10.098 1.00 0.00 C ATOM 137 CD1 TRP A 10 -25.683 11.624 10.747 1.00 0.00 C ATOM 138 CD2 TRP A 10 -23.590 12.240 11.128 1.00 0.00 C ATOM 139 NE1 TRP A 10 -25.522 11.713 12.114 1.00 0.00 N ATOM 140 CE2 TRP A 10 -24.208 12.100 12.354 1.00 0.00 C ATOM 141 CE3 TRP A 10 -22.241 12.625 11.028 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -23.557 12.326 13.572 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -21.604 12.848 12.254 1.00 0.00 C ATOM 144 CH2 TRP A 10 -22.213 12.711 13.496 1.00 0.00 C ATOM 0 H TRP A 10 -26.736 11.320 8.324 1.00 0.00 H new ATOM 0 HA TRP A 10 -25.220 13.802 8.176 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -24.324 10.929 8.212 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -23.310 12.346 8.396 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -26.605 11.343 10.261 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -26.236 11.529 12.819 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -21.737 12.740 10.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -24.064 12.210 14.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -20.567 13.148 12.234 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -21.652 12.901 14.399 1.00 0.00 H new ATOM 155 N THR A 11 -23.937 13.359 5.923 1.00 0.00 N ATOM 156 CA THR A 11 -23.561 13.430 4.521 1.00 0.00 C ATOM 157 C THR A 11 -22.039 13.479 4.378 1.00 0.00 C ATOM 158 O THR A 11 -21.313 13.156 5.318 1.00 0.00 O ATOM 159 CB THR A 11 -24.268 14.639 3.903 1.00 0.00 C ATOM 160 OG1 THR A 11 -23.564 15.760 4.431 1.00 0.00 O ATOM 161 CG2 THR A 11 -25.695 14.814 4.428 1.00 0.00 C ATOM 0 H THR A 11 -23.268 13.782 6.566 1.00 0.00 H new ATOM 0 HA THR A 11 -23.878 12.538 3.981 1.00 0.00 H new ATOM 0 HB THR A 11 -24.291 14.531 2.819 1.00 0.00 H new ATOM 0 HG1 THR A 11 -23.956 16.587 4.080 1.00 0.00 H new ATOM 0 HG21 THR A 11 -26.151 15.685 3.958 1.00 0.00 H new ATOM 0 HG22 THR A 11 -26.281 13.926 4.192 1.00 0.00 H new ATOM 0 HG23 THR A 11 -25.670 14.956 5.508 1.00 0.00 H new ATOM 169 N LYS A 12 -21.600 13.885 3.196 1.00 0.00 N ATOM 170 CA LYS A 12 -20.177 13.980 2.919 1.00 0.00 C ATOM 171 C LYS A 12 -19.546 15.008 3.859 1.00 0.00 C ATOM 172 O LYS A 12 -18.381 14.881 4.232 1.00 0.00 O ATOM 173 CB LYS A 12 -19.938 14.274 1.436 1.00 0.00 C ATOM 174 CG LYS A 12 -18.442 14.298 1.116 1.00 0.00 C ATOM 175 CD LYS A 12 -17.943 15.733 0.938 1.00 0.00 C ATOM 176 CE LYS A 12 -16.441 15.759 0.645 1.00 0.00 C ATOM 177 NZ LYS A 12 -15.992 17.141 0.363 1.00 0.00 N ATOM 0 H LYS A 12 -22.205 14.152 2.419 1.00 0.00 H new ATOM 0 HA LYS A 12 -19.687 13.026 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -20.432 13.516 0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -20.385 15.233 1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -17.887 13.813 1.919 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -18.252 13.727 0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -18.485 16.212 0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -18.151 16.309 1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.891 15.358 1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.220 15.117 -0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.971 17.141 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.504 17.510 -0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.186 17.744 1.188 1.00 0.00 H new ATOM 191 N GLU A 13 -20.343 16.005 4.215 1.00 0.00 N ATOM 192 CA GLU A 13 -19.877 17.055 5.104 1.00 0.00 C ATOM 193 C GLU A 13 -19.259 16.447 6.365 1.00 0.00 C ATOM 194 O GLU A 13 -18.038 16.422 6.513 1.00 0.00 O ATOM 195 CB GLU A 13 -21.012 18.017 5.459 1.00 0.00 C ATOM 196 CG GLU A 13 -20.507 19.460 5.530 1.00 0.00 C ATOM 197 CD GLU A 13 -20.668 20.028 6.942 1.00 0.00 C ATOM 198 OE1 GLU A 13 -21.756 20.582 7.209 1.00 0.00 O ATOM 199 OE2 GLU A 13 -19.700 19.896 7.721 1.00 0.00 O ATOM 0 H GLU A 13 -21.309 16.108 3.904 1.00 0.00 H new ATOM 0 HA GLU A 13 -19.108 17.628 4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -21.804 17.941 4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -21.448 17.733 6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -19.458 19.497 5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -21.058 20.077 4.821 1.00 0.00 H new ATOM 206 N GLU A 14 -20.131 15.972 7.243 1.00 0.00 N ATOM 207 CA GLU A 14 -19.686 15.366 8.486 1.00 0.00 C ATOM 208 C GLU A 14 -18.613 14.311 8.209 1.00 0.00 C ATOM 209 O GLU A 14 -17.638 14.203 8.950 1.00 0.00 O ATOM 210 CB GLU A 14 -20.864 14.761 9.253 1.00 0.00 C ATOM 211 CG GLU A 14 -21.861 15.844 9.669 1.00 0.00 C ATOM 212 CD GLU A 14 -22.944 16.032 8.604 1.00 0.00 C ATOM 213 OE1 GLU A 14 -23.199 15.049 7.876 1.00 0.00 O ATOM 214 OE2 GLU A 14 -23.491 17.154 8.542 1.00 0.00 O ATOM 0 H GLU A 14 -21.143 15.995 7.118 1.00 0.00 H new ATOM 0 HA GLU A 14 -19.249 16.145 9.111 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -21.365 14.020 8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.498 14.240 10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -22.323 15.573 10.618 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.335 16.785 9.828 1.00 0.00 H new ATOM 221 N ASP A 15 -18.830 13.560 7.139 1.00 0.00 N ATOM 222 CA ASP A 15 -17.893 12.518 6.754 1.00 0.00 C ATOM 223 C ASP A 15 -16.554 13.155 6.379 1.00 0.00 C ATOM 224 O ASP A 15 -15.503 12.535 6.535 1.00 0.00 O ATOM 225 CB ASP A 15 -18.404 11.740 5.540 1.00 0.00 C ATOM 226 CG ASP A 15 -19.276 10.527 5.869 1.00 0.00 C ATOM 227 OD1 ASP A 15 -18.784 9.662 6.626 1.00 0.00 O ATOM 228 OD2 ASP A 15 -20.416 10.492 5.356 1.00 0.00 O ATOM 0 H ASP A 15 -19.641 13.652 6.527 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.780 11.837 7.597 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.976 12.419 4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -17.547 11.405 4.955 1.00 0.00 H new ATOM 233 N GLN A 16 -16.635 14.384 5.892 1.00 0.00 N ATOM 234 CA GLN A 16 -15.443 15.112 5.493 1.00 0.00 C ATOM 235 C GLN A 16 -14.551 15.375 6.708 1.00 0.00 C ATOM 236 O GLN A 16 -13.331 15.466 6.579 1.00 0.00 O ATOM 237 CB GLN A 16 -15.808 16.419 4.787 1.00 0.00 C ATOM 238 CG GLN A 16 -15.926 17.569 5.789 1.00 0.00 C ATOM 239 CD GLN A 16 -14.716 18.501 5.698 1.00 0.00 C ATOM 240 OE1 GLN A 16 -13.577 17.882 5.399 1.00 0.00 O flip ATOM 241 NE2 GLN A 16 -14.810 19.703 5.888 1.00 0.00 N flip ATOM 0 H GLN A 16 -17.509 14.895 5.765 1.00 0.00 H new ATOM 0 HA GLN A 16 -14.887 14.499 4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -15.050 16.658 4.042 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -16.751 16.298 4.254 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -16.839 18.132 5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -16.006 17.169 6.800 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.716 20.114 6.114 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -13.983 20.296 5.821 1.00 0.00 H new ATOM 250 N LYS A 17 -15.194 15.491 7.860 1.00 0.00 N ATOM 251 CA LYS A 17 -14.475 15.742 9.097 1.00 0.00 C ATOM 252 C LYS A 17 -13.679 14.494 9.482 1.00 0.00 C ATOM 253 O LYS A 17 -12.501 14.586 9.825 1.00 0.00 O ATOM 254 CB LYS A 17 -15.435 16.220 10.188 1.00 0.00 C ATOM 255 CG LYS A 17 -14.737 17.181 11.152 1.00 0.00 C ATOM 256 CD LYS A 17 -15.230 16.975 12.585 1.00 0.00 C ATOM 257 CE LYS A 17 -14.747 18.104 13.499 1.00 0.00 C ATOM 258 NZ LYS A 17 -15.627 19.286 13.372 1.00 0.00 N ATOM 0 H LYS A 17 -16.206 15.416 7.963 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.756 16.550 8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -16.292 16.716 9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -15.820 15.362 10.740 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.659 17.026 11.109 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.923 18.210 10.844 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -16.319 16.934 12.596 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.871 16.018 12.963 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.735 17.762 14.534 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.723 18.376 13.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -15.285 20.042 13.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.618 19.621 12.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -16.598 19.027 13.640 1.00 0.00 H new ATOM 272 N VAL A 18 -14.353 13.356 9.412 1.00 0.00 N ATOM 273 CA VAL A 18 -13.723 12.091 9.749 1.00 0.00 C ATOM 274 C VAL A 18 -12.427 11.943 8.950 1.00 0.00 C ATOM 275 O VAL A 18 -11.430 11.439 9.466 1.00 0.00 O ATOM 276 CB VAL A 18 -14.704 10.939 9.515 1.00 0.00 C ATOM 277 CG1 VAL A 18 -13.962 9.654 9.144 1.00 0.00 C ATOM 278 CG2 VAL A 18 -15.598 10.723 10.738 1.00 0.00 C ATOM 0 H VAL A 18 -15.330 13.283 9.127 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.458 12.066 10.806 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.345 11.210 8.676 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.682 8.852 8.983 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.389 9.815 8.231 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.286 9.378 9.953 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.285 9.899 10.545 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.979 10.485 11.603 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.167 11.631 10.938 1.00 0.00 H new ATOM 288 N ILE A 19 -12.482 12.392 7.705 1.00 0.00 N ATOM 289 CA ILE A 19 -11.324 12.316 6.830 1.00 0.00 C ATOM 290 C ILE A 19 -10.249 13.283 7.330 1.00 0.00 C ATOM 291 O ILE A 19 -9.056 13.011 7.202 1.00 0.00 O ATOM 292 CB ILE A 19 -11.735 12.552 5.376 1.00 0.00 C ATOM 293 CG1 ILE A 19 -12.414 11.312 4.790 1.00 0.00 C ATOM 294 CG2 ILE A 19 -10.539 13.002 4.534 1.00 0.00 C ATOM 295 CD1 ILE A 19 -13.122 10.507 5.882 1.00 0.00 C ATOM 0 H ILE A 19 -13.310 12.810 7.281 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.891 11.316 6.856 1.00 0.00 H new ATOM 0 HB ILE A 19 -12.466 13.360 5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.135 11.613 4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.671 10.686 4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.859 13.163 3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -10.138 13.931 4.939 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.767 12.233 4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.596 9.631 5.439 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.394 10.187 6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.880 11.128 6.358 1.00 0.00 H new ATOM 307 N GLU A 20 -10.709 14.393 7.889 1.00 0.00 N ATOM 308 CA GLU A 20 -9.802 15.402 8.408 1.00 0.00 C ATOM 309 C GLU A 20 -9.208 14.945 9.742 1.00 0.00 C ATOM 310 O GLU A 20 -8.152 15.424 10.152 1.00 0.00 O ATOM 311 CB GLU A 20 -10.508 16.751 8.556 1.00 0.00 C ATOM 312 CG GLU A 20 -9.509 17.906 8.464 1.00 0.00 C ATOM 313 CD GLU A 20 -10.227 19.256 8.504 1.00 0.00 C ATOM 314 OE1 GLU A 20 -11.114 19.402 9.372 1.00 0.00 O ATOM 315 OE2 GLU A 20 -9.872 20.112 7.665 1.00 0.00 O ATOM 0 H GLU A 20 -11.699 14.616 7.994 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.988 15.532 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.264 16.857 7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.028 16.790 9.513 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.798 17.843 9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.935 17.822 7.541 1.00 0.00 H new ATOM 322 N LEU A 21 -9.913 14.024 10.383 1.00 0.00 N ATOM 323 CA LEU A 21 -9.468 13.497 11.662 1.00 0.00 C ATOM 324 C LEU A 21 -8.559 12.291 11.424 1.00 0.00 C ATOM 325 O LEU A 21 -7.509 12.166 12.053 1.00 0.00 O ATOM 326 CB LEU A 21 -10.668 13.195 12.563 1.00 0.00 C ATOM 327 CG LEU A 21 -11.180 14.360 13.412 1.00 0.00 C ATOM 328 CD1 LEU A 21 -12.705 14.326 13.527 1.00 0.00 C ATOM 329 CD2 LEU A 21 -10.501 14.379 14.783 1.00 0.00 C ATOM 0 H LEU A 21 -10.789 13.629 10.041 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.877 14.241 12.196 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.487 12.840 11.937 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.399 12.376 13.230 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.916 15.291 12.910 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.043 15.165 14.136 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.147 14.398 12.533 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.014 13.391 13.995 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.883 15.217 15.367 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.712 13.446 15.306 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.424 14.487 14.654 1.00 0.00 H new ATOM 341 N VAL A 22 -8.995 11.432 10.514 1.00 0.00 N ATOM 342 CA VAL A 22 -8.233 10.239 10.185 1.00 0.00 C ATOM 343 C VAL A 22 -6.853 10.648 9.665 1.00 0.00 C ATOM 344 O VAL A 22 -5.864 9.958 9.908 1.00 0.00 O ATOM 345 CB VAL A 22 -9.014 9.376 9.193 1.00 0.00 C ATOM 346 CG1 VAL A 22 -8.136 8.257 8.629 1.00 0.00 C ATOM 347 CG2 VAL A 22 -10.279 8.807 9.839 1.00 0.00 C ATOM 0 H VAL A 22 -9.866 11.538 9.994 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.078 9.628 11.074 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.319 10.013 8.363 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.716 7.659 7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.279 8.691 8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.787 7.623 9.444 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.816 8.197 9.112 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.005 8.192 10.696 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.919 9.625 10.169 1.00 0.00 H new ATOM 357 N LYS A 23 -6.831 11.768 8.958 1.00 0.00 N ATOM 358 CA LYS A 23 -5.589 12.277 8.401 1.00 0.00 C ATOM 359 C LYS A 23 -4.766 12.929 9.513 1.00 0.00 C ATOM 360 O LYS A 23 -3.547 12.770 9.562 1.00 0.00 O ATOM 361 CB LYS A 23 -5.873 13.208 7.220 1.00 0.00 C ATOM 362 CG LYS A 23 -6.505 14.518 7.695 1.00 0.00 C ATOM 363 CD LYS A 23 -5.432 15.569 7.987 1.00 0.00 C ATOM 364 CE LYS A 23 -6.057 16.953 8.176 1.00 0.00 C ATOM 365 NZ LYS A 23 -5.186 17.805 9.016 1.00 0.00 N ATOM 0 H LYS A 23 -7.653 12.337 8.758 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.990 11.461 7.997 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.946 13.419 6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.540 12.713 6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.189 14.893 6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.096 14.337 8.593 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.879 15.290 8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.715 15.599 7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.210 17.425 7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.038 16.855 8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.256 18.793 8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.488 17.738 10.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.201 17.484 8.932 1.00 0.00 H new ATOM 379 N LYS A 24 -5.464 13.648 10.379 1.00 0.00 N ATOM 380 CA LYS A 24 -4.813 14.325 11.488 1.00 0.00 C ATOM 381 C LYS A 24 -4.410 13.293 12.543 1.00 0.00 C ATOM 382 O LYS A 24 -3.608 13.586 13.429 1.00 0.00 O ATOM 383 CB LYS A 24 -5.704 15.443 12.031 1.00 0.00 C ATOM 384 CG LYS A 24 -4.864 16.559 12.656 1.00 0.00 C ATOM 385 CD LYS A 24 -5.682 17.358 13.672 1.00 0.00 C ATOM 386 CE LYS A 24 -5.594 16.729 15.064 1.00 0.00 C ATOM 387 NZ LYS A 24 -6.597 15.651 15.210 1.00 0.00 N ATOM 0 H LYS A 24 -6.475 13.777 10.335 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.898 14.813 11.152 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.314 15.850 11.225 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.389 15.038 12.776 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.989 16.130 13.145 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.498 17.225 11.874 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.319 18.385 13.710 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.724 17.400 13.353 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.594 16.327 15.225 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.758 17.492 15.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.075 15.743 16.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.299 15.724 14.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.123 14.727 15.157 1.00 0.00 H new ATOM 401 N TYR A 25 -4.984 12.106 12.413 1.00 0.00 N ATOM 402 CA TYR A 25 -4.694 11.029 13.345 1.00 0.00 C ATOM 403 C TYR A 25 -3.684 10.046 12.750 1.00 0.00 C ATOM 404 O TYR A 25 -2.665 9.746 13.371 1.00 0.00 O ATOM 405 CB TYR A 25 -6.021 10.301 13.574 1.00 0.00 C ATOM 406 CG TYR A 25 -6.889 10.921 14.670 1.00 0.00 C ATOM 407 CD1 TYR A 25 -6.914 12.290 14.840 1.00 0.00 C ATOM 408 CD2 TYR A 25 -7.648 10.110 15.490 1.00 0.00 C ATOM 409 CE1 TYR A 25 -7.731 12.873 15.872 1.00 0.00 C ATOM 410 CE2 TYR A 25 -8.465 10.693 16.522 1.00 0.00 C ATOM 411 CZ TYR A 25 -8.467 12.046 16.662 1.00 0.00 C ATOM 412 OH TYR A 25 -9.239 12.597 17.637 1.00 0.00 O ATOM 0 H TYR A 25 -5.648 11.866 11.677 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.268 11.424 14.267 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.584 10.291 12.641 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.814 9.262 13.832 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.320 12.924 14.199 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.629 9.038 15.357 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.759 13.943 16.016 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.063 10.070 17.171 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.710 11.887 18.122 1.00 0.00 H new ATOM 422 N GLY A 26 -4.000 9.573 11.553 1.00 0.00 N ATOM 423 CA GLY A 26 -3.132 8.631 10.868 1.00 0.00 C ATOM 424 C GLY A 26 -3.866 7.320 10.578 1.00 0.00 C ATOM 425 O GLY A 26 -3.267 6.365 10.086 1.00 0.00 O ATOM 0 H GLY A 26 -4.845 9.825 11.040 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.779 9.069 9.934 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.252 8.432 11.479 1.00 0.00 H new ATOM 429 N THR A 27 -5.152 7.317 10.895 1.00 0.00 N ATOM 430 CA THR A 27 -5.974 6.139 10.675 1.00 0.00 C ATOM 431 C THR A 27 -5.609 5.039 11.674 1.00 0.00 C ATOM 432 O THR A 27 -5.283 3.921 11.280 1.00 0.00 O ATOM 433 CB THR A 27 -5.809 5.713 9.215 1.00 0.00 C ATOM 434 OG1 THR A 27 -5.351 6.892 8.559 1.00 0.00 O ATOM 435 CG2 THR A 27 -7.146 5.406 8.539 1.00 0.00 C ATOM 0 H THR A 27 -5.645 8.111 11.302 1.00 0.00 H new ATOM 0 HA THR A 27 -7.028 6.355 10.848 1.00 0.00 H new ATOM 0 HB THR A 27 -5.167 4.834 9.165 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.590 6.852 7.610 1.00 0.00 H new ATOM 0 HG21 THR A 27 -6.971 5.109 7.505 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.645 4.595 9.070 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.777 6.295 8.559 1.00 0.00 H new ATOM 443 N LYS A 28 -5.676 5.396 12.949 1.00 0.00 N ATOM 444 CA LYS A 28 -5.356 4.453 14.007 1.00 0.00 C ATOM 445 C LYS A 28 -6.561 4.312 14.939 1.00 0.00 C ATOM 446 O LYS A 28 -6.924 3.202 15.326 1.00 0.00 O ATOM 447 CB LYS A 28 -4.070 4.869 14.724 1.00 0.00 C ATOM 448 CG LYS A 28 -3.256 3.643 15.144 1.00 0.00 C ATOM 449 CD LYS A 28 -2.295 3.216 14.032 1.00 0.00 C ATOM 450 CE LYS A 28 -2.585 1.785 13.576 1.00 0.00 C ATOM 451 NZ LYS A 28 -1.636 1.376 12.517 1.00 0.00 N ATOM 0 H LYS A 28 -5.947 6.325 13.272 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.157 3.466 13.590 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.471 5.500 14.068 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.316 5.465 15.603 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.693 3.869 16.050 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.929 2.820 15.384 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.387 3.897 13.186 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.267 3.287 14.388 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.508 1.104 14.424 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.607 1.716 13.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.847 0.402 12.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.729 2.015 11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.664 1.423 12.885 1.00 0.00 H new ATOM 465 N GLN A 29 -7.148 5.452 15.273 1.00 0.00 N ATOM 466 CA GLN A 29 -8.305 5.469 16.152 1.00 0.00 C ATOM 467 C GLN A 29 -9.595 5.508 15.331 1.00 0.00 C ATOM 468 O GLN A 29 -10.261 6.540 15.262 1.00 0.00 O ATOM 469 CB GLN A 29 -8.238 6.648 17.124 1.00 0.00 C ATOM 470 CG GLN A 29 -7.414 6.292 18.362 1.00 0.00 C ATOM 471 CD GLN A 29 -5.915 6.342 18.057 1.00 0.00 C ATOM 472 OE1 GLN A 29 -5.187 5.379 18.235 1.00 0.00 O ATOM 473 NE2 GLN A 29 -5.497 7.514 17.588 1.00 0.00 N ATOM 0 H GLN A 29 -6.844 6.371 14.951 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.301 4.553 16.743 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.797 7.511 16.625 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.246 6.934 17.424 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.647 6.985 19.170 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.685 5.295 18.709 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.160 8.279 17.463 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.513 7.648 17.353 1.00 0.00 H new ATOM 482 N TRP A 30 -9.910 4.370 14.728 1.00 0.00 N ATOM 483 CA TRP A 30 -11.109 4.261 13.915 1.00 0.00 C ATOM 484 C TRP A 30 -12.311 4.610 14.795 1.00 0.00 C ATOM 485 O TRP A 30 -13.391 4.910 14.287 1.00 0.00 O ATOM 486 CB TRP A 30 -11.216 2.874 13.279 1.00 0.00 C ATOM 487 CG TRP A 30 -10.404 2.714 11.992 1.00 0.00 C ATOM 488 CD1 TRP A 30 -9.166 2.219 11.854 1.00 0.00 C ATOM 489 CD2 TRP A 30 -10.824 3.074 10.659 1.00 0.00 C ATOM 490 NE1 TRP A 30 -8.760 2.233 10.535 1.00 0.00 N ATOM 491 CE2 TRP A 30 -9.800 2.769 9.786 1.00 0.00 C ATOM 492 CE3 TRP A 30 -12.030 3.638 10.207 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -9.878 2.993 8.406 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -12.092 3.855 8.825 1.00 0.00 C ATOM 495 CH2 TRP A 30 -11.070 3.554 7.933 1.00 0.00 C ATOM 0 H TRP A 30 -9.355 3.516 14.787 1.00 0.00 H new ATOM 0 HA TRP A 30 -11.074 4.962 13.081 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -10.884 2.128 14.001 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -12.264 2.664 13.064 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -8.562 1.855 12.672 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -7.862 1.909 10.176 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -12.844 3.884 10.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -9.062 2.746 7.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -12.997 4.286 8.424 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -11.195 3.752 6.879 1.00 0.00 H new ATOM 506 N THR A 31 -12.084 4.559 16.099 1.00 0.00 N ATOM 507 CA THR A 31 -13.134 4.866 17.054 1.00 0.00 C ATOM 508 C THR A 31 -13.615 6.308 16.874 1.00 0.00 C ATOM 509 O THR A 31 -14.774 6.618 17.145 1.00 0.00 O ATOM 510 CB THR A 31 -12.598 4.576 18.457 1.00 0.00 C ATOM 511 OG1 THR A 31 -13.348 3.443 18.888 1.00 0.00 O ATOM 512 CG2 THR A 31 -12.963 5.669 19.463 1.00 0.00 C ATOM 0 H THR A 31 -11.187 4.309 16.517 1.00 0.00 H new ATOM 0 HA THR A 31 -14.012 4.241 16.890 1.00 0.00 H new ATOM 0 HB THR A 31 -11.514 4.470 18.415 1.00 0.00 H new ATOM 0 HG1 THR A 31 -13.063 3.186 19.790 1.00 0.00 H new ATOM 0 HG21 THR A 31 -12.558 5.413 20.442 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.544 6.620 19.135 1.00 0.00 H new ATOM 0 HG23 THR A 31 -14.048 5.754 19.530 1.00 0.00 H new ATOM 520 N LEU A 32 -12.699 7.150 16.418 1.00 0.00 N ATOM 521 CA LEU A 32 -13.015 8.551 16.199 1.00 0.00 C ATOM 522 C LEU A 32 -14.113 8.662 15.139 1.00 0.00 C ATOM 523 O LEU A 32 -15.154 9.272 15.381 1.00 0.00 O ATOM 524 CB LEU A 32 -11.748 9.338 15.856 1.00 0.00 C ATOM 525 CG LEU A 32 -11.571 9.716 14.384 1.00 0.00 C ATOM 526 CD1 LEU A 32 -12.602 10.764 13.959 1.00 0.00 C ATOM 527 CD2 LEU A 32 -10.138 10.176 14.105 1.00 0.00 C ATOM 0 H LEU A 32 -11.739 6.889 16.194 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.406 9.001 17.112 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.741 10.253 16.449 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.884 8.750 16.166 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.748 8.827 13.779 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.454 11.015 12.909 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.606 10.364 14.098 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.481 11.661 14.567 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.039 10.439 13.052 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.909 11.047 14.719 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.444 9.370 14.345 1.00 0.00 H new ATOM 539 N ILE A 33 -13.844 8.064 13.988 1.00 0.00 N ATOM 540 CA ILE A 33 -14.796 8.088 12.891 1.00 0.00 C ATOM 541 C ILE A 33 -16.194 7.774 13.428 1.00 0.00 C ATOM 542 O ILE A 33 -17.101 8.599 13.326 1.00 0.00 O ATOM 543 CB ILE A 33 -14.344 7.151 11.769 1.00 0.00 C ATOM 544 CG1 ILE A 33 -13.063 7.665 11.109 1.00 0.00 C ATOM 545 CG2 ILE A 33 -15.466 6.935 10.751 1.00 0.00 C ATOM 546 CD1 ILE A 33 -11.823 7.083 11.793 1.00 0.00 C ATOM 0 H ILE A 33 -12.980 7.560 13.791 1.00 0.00 H new ATOM 0 HA ILE A 33 -14.840 9.082 12.447 1.00 0.00 H new ATOM 0 HB ILE A 33 -14.114 6.179 12.206 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.060 7.396 10.053 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -13.034 8.753 11.161 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -15.119 6.265 9.964 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -16.329 6.493 11.249 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -15.750 7.892 10.314 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.926 7.464 11.305 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -11.816 7.374 12.843 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -11.843 5.996 11.718 1.00 0.00 H new ATOM 558 N ALA A 34 -16.324 6.581 13.988 1.00 0.00 N ATOM 559 CA ALA A 34 -17.596 6.148 14.541 1.00 0.00 C ATOM 560 C ALA A 34 -18.000 7.090 15.677 1.00 0.00 C ATOM 561 O ALA A 34 -19.020 7.772 15.590 1.00 0.00 O ATOM 562 CB ALA A 34 -17.485 4.693 15.002 1.00 0.00 C ATOM 0 H ALA A 34 -15.569 5.900 14.071 1.00 0.00 H new ATOM 0 HA ALA A 34 -18.378 6.190 13.783 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -18.440 4.369 15.417 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -17.225 4.061 14.153 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -16.711 4.611 15.765 1.00 0.00 H new ATOM 568 N LYS A 35 -17.179 7.098 16.717 1.00 0.00 N ATOM 569 CA LYS A 35 -17.438 7.945 17.869 1.00 0.00 C ATOM 570 C LYS A 35 -17.859 9.335 17.390 1.00 0.00 C ATOM 571 O LYS A 35 -18.606 10.032 18.075 1.00 0.00 O ATOM 572 CB LYS A 35 -16.229 7.958 18.807 1.00 0.00 C ATOM 573 CG LYS A 35 -16.572 8.636 20.135 1.00 0.00 C ATOM 574 CD LYS A 35 -15.636 8.165 21.249 1.00 0.00 C ATOM 575 CE LYS A 35 -14.890 9.346 21.874 1.00 0.00 C ATOM 576 NZ LYS A 35 -13.816 8.865 22.771 1.00 0.00 N ATOM 0 H LYS A 35 -16.334 6.531 16.786 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.265 7.546 18.457 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.896 6.936 18.991 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.400 8.482 18.331 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.497 9.718 20.025 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.605 8.414 20.405 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.210 7.646 22.016 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.919 7.448 20.848 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.464 9.971 21.089 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.587 9.969 22.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.320 9.679 23.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.230 8.288 23.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.142 8.289 22.227 1.00 0.00 H new ATOM 590 N HIS A 36 -17.363 9.697 16.216 1.00 0.00 N ATOM 591 CA HIS A 36 -17.679 10.992 15.637 1.00 0.00 C ATOM 592 C HIS A 36 -19.012 10.909 14.891 1.00 0.00 C ATOM 593 O HIS A 36 -19.958 11.622 15.222 1.00 0.00 O ATOM 594 CB HIS A 36 -16.533 11.485 14.751 1.00 0.00 C ATOM 595 CG HIS A 36 -15.390 12.109 15.516 1.00 0.00 C ATOM 596 ND1 HIS A 36 -14.583 11.595 16.488 1.00 0.00 N flip ATOM 597 CD2 HIS A 36 -14.971 13.411 15.308 1.00 0.00 C flip ATOM 598 CE1 HIS A 36 -13.718 12.533 16.854 1.00 0.00 C flip ATOM 599 NE2 HIS A 36 -13.957 13.660 16.124 1.00 0.00 N flip ATOM 0 H HIS A 36 -16.745 9.116 15.650 1.00 0.00 H new ATOM 0 HA HIS A 36 -17.792 11.731 16.430 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -16.152 10.647 14.168 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -16.924 12.215 14.042 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -14.635 10.650 16.869 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -15.398 14.106 14.601 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.951 12.422 17.606 1.00 0.00 H new ATOM 607 N LEU A 37 -19.044 10.033 13.898 1.00 0.00 N ATOM 608 CA LEU A 37 -20.245 9.847 13.102 1.00 0.00 C ATOM 609 C LEU A 37 -21.015 8.633 13.624 1.00 0.00 C ATOM 610 O LEU A 37 -20.764 7.505 13.202 1.00 0.00 O ATOM 611 CB LEU A 37 -19.895 9.761 11.615 1.00 0.00 C ATOM 612 CG LEU A 37 -18.645 10.525 11.175 1.00 0.00 C ATOM 613 CD1 LEU A 37 -18.558 10.601 9.650 1.00 0.00 C ATOM 614 CD2 LEU A 37 -18.593 11.910 11.822 1.00 0.00 C ATOM 0 H LEU A 37 -18.257 9.444 13.626 1.00 0.00 H new ATOM 0 HA LEU A 37 -20.904 10.709 13.201 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -19.766 8.711 11.353 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -20.744 10.131 11.040 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.769 9.976 11.520 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.660 11.149 9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -18.515 9.593 9.237 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.437 11.115 9.261 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.695 12.432 11.493 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.473 12.482 11.529 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -18.574 11.804 12.907 1.00 0.00 H new ATOM 626 N LYS A 38 -21.938 8.904 14.536 1.00 0.00 N ATOM 627 CA LYS A 38 -22.746 7.847 15.120 1.00 0.00 C ATOM 628 C LYS A 38 -23.892 7.501 14.167 1.00 0.00 C ATOM 629 O LYS A 38 -23.834 7.818 12.980 1.00 0.00 O ATOM 630 CB LYS A 38 -23.211 8.242 16.523 1.00 0.00 C ATOM 631 CG LYS A 38 -22.870 7.151 17.541 1.00 0.00 C ATOM 632 CD LYS A 38 -21.367 7.119 17.827 1.00 0.00 C ATOM 633 CE LYS A 38 -20.960 5.791 18.468 1.00 0.00 C ATOM 634 NZ LYS A 38 -19.922 5.119 17.654 1.00 0.00 N ATOM 0 H LYS A 38 -22.144 9.840 14.884 1.00 0.00 H new ATOM 0 HA LYS A 38 -22.153 6.941 15.248 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -22.738 9.179 16.817 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -24.287 8.416 16.518 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -23.416 7.329 18.467 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -23.193 6.181 17.162 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -20.813 7.264 16.899 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -21.101 7.943 18.489 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.583 5.967 19.475 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.832 5.144 18.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.767 4.156 18.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.235 5.071 16.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.034 5.657 17.711 1.00 0.00 H new ATOM 648 N GLY A 39 -24.907 6.856 14.723 1.00 0.00 N ATOM 649 CA GLY A 39 -26.065 6.464 13.937 1.00 0.00 C ATOM 650 C GLY A 39 -25.800 5.158 13.185 1.00 0.00 C ATOM 651 O GLY A 39 -26.615 4.237 13.227 1.00 0.00 O ATOM 0 H GLY A 39 -24.952 6.595 15.708 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -26.929 6.343 14.591 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -26.311 7.253 13.227 1.00 0.00 H new ATOM 655 N ARG A 40 -24.658 5.119 12.515 1.00 0.00 N ATOM 656 CA ARG A 40 -24.276 3.941 11.755 1.00 0.00 C ATOM 657 C ARG A 40 -22.882 3.468 12.174 1.00 0.00 C ATOM 658 O ARG A 40 -22.311 3.983 13.133 1.00 0.00 O ATOM 659 CB ARG A 40 -24.278 4.231 10.252 1.00 0.00 C ATOM 660 CG ARG A 40 -25.577 3.749 9.603 1.00 0.00 C ATOM 661 CD ARG A 40 -26.339 4.915 8.970 1.00 0.00 C ATOM 662 NE ARG A 40 -26.489 4.690 7.515 1.00 0.00 N ATOM 663 CZ ARG A 40 -25.551 4.992 6.607 1.00 0.00 C ATOM 664 NH1 ARG A 40 -24.389 5.532 6.999 1.00 0.00 N ATOM 665 NH2 ARG A 40 -25.774 4.753 5.307 1.00 0.00 N ATOM 0 H ARG A 40 -23.985 5.884 12.483 1.00 0.00 H new ATOM 0 HA ARG A 40 -25.007 3.160 11.964 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -24.159 5.301 10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -23.427 3.738 9.782 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -25.352 3.001 8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -26.204 3.264 10.352 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -27.320 5.014 9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -25.806 5.849 9.149 1.00 0.00 H new ATOM 0 HE ARG A 40 -27.361 4.279 7.182 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -24.219 5.713 7.988 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -23.675 5.762 6.308 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -26.658 4.341 5.009 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -25.060 4.983 4.616 1.00 0.00 H new ATOM 679 N LEU A 41 -22.376 2.492 11.434 1.00 0.00 N ATOM 680 CA LEU A 41 -21.061 1.944 11.717 1.00 0.00 C ATOM 681 C LEU A 41 -19.990 2.882 11.156 1.00 0.00 C ATOM 682 O LEU A 41 -20.189 3.504 10.114 1.00 0.00 O ATOM 683 CB LEU A 41 -20.955 0.509 11.195 1.00 0.00 C ATOM 684 CG LEU A 41 -21.321 -0.594 12.190 1.00 0.00 C ATOM 685 CD1 LEU A 41 -20.215 -0.784 13.230 1.00 0.00 C ATOM 686 CD2 LEU A 41 -22.678 -0.319 12.840 1.00 0.00 C ATOM 0 H LEU A 41 -22.853 2.067 10.639 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.899 1.881 12.793 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -21.600 0.412 10.322 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -19.933 0.341 10.856 1.00 0.00 H new ATOM 0 HG LEU A 41 -21.411 -1.532 11.641 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -20.501 -1.574 13.925 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.287 -1.060 12.728 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -20.068 0.146 13.779 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -22.914 -1.118 13.543 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -22.641 0.632 13.371 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -23.448 -0.274 12.070 1.00 0.00 H new ATOM 698 N GLY A 42 -18.879 2.956 11.874 1.00 0.00 N ATOM 699 CA GLY A 42 -17.777 3.808 11.461 1.00 0.00 C ATOM 700 C GLY A 42 -16.858 3.079 10.479 1.00 0.00 C ATOM 701 O GLY A 42 -15.748 3.534 10.207 1.00 0.00 O ATOM 0 H GLY A 42 -18.718 2.440 12.739 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -18.167 4.713 10.996 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -17.206 4.120 12.336 1.00 0.00 H new ATOM 705 N LYS A 43 -17.354 1.959 9.974 1.00 0.00 N ATOM 706 CA LYS A 43 -16.591 1.162 9.028 1.00 0.00 C ATOM 707 C LYS A 43 -16.720 1.774 7.632 1.00 0.00 C ATOM 708 O LYS A 43 -16.677 2.994 7.478 1.00 0.00 O ATOM 709 CB LYS A 43 -17.017 -0.306 9.098 1.00 0.00 C ATOM 710 CG LYS A 43 -15.859 -1.231 8.719 1.00 0.00 C ATOM 711 CD LYS A 43 -14.820 -1.297 9.841 1.00 0.00 C ATOM 712 CE LYS A 43 -13.669 -2.232 9.468 1.00 0.00 C ATOM 713 NZ LYS A 43 -13.466 -3.251 10.522 1.00 0.00 N ATOM 0 H LYS A 43 -18.275 1.584 10.202 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.532 1.175 9.286 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.360 -0.541 10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.858 -0.477 8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.240 -2.231 8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.388 -0.874 7.803 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.432 -0.298 10.041 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.293 -1.645 10.759 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.883 -2.721 8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.754 -1.655 9.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.681 -3.877 10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.240 -2.780 11.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.334 -3.813 10.634 1.00 0.00 H new ATOM 727 N GLN A 44 -16.875 0.899 6.649 1.00 0.00 N ATOM 728 CA GLN A 44 -17.010 1.338 5.270 1.00 0.00 C ATOM 729 C GLN A 44 -16.137 2.569 5.017 1.00 0.00 C ATOM 730 O GLN A 44 -16.650 3.657 4.760 1.00 0.00 O ATOM 731 CB GLN A 44 -18.473 1.625 4.927 1.00 0.00 C ATOM 732 CG GLN A 44 -18.835 1.059 3.552 1.00 0.00 C ATOM 733 CD GLN A 44 -18.764 2.145 2.477 1.00 0.00 C ATOM 734 OE1 GLN A 44 -19.577 3.053 2.420 1.00 0.00 O ATOM 735 NE2 GLN A 44 -17.748 2.002 1.630 1.00 0.00 N ATOM 0 H GLN A 44 -16.910 -0.112 6.780 1.00 0.00 H new ATOM 0 HA GLN A 44 -16.669 0.534 4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -19.121 1.187 5.686 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -18.649 2.701 4.939 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -18.154 0.246 3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -19.839 0.636 3.581 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -17.103 1.218 1.734 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -17.614 2.676 0.876 1.00 0.00 H new ATOM 744 N CYS A 45 -14.832 2.355 5.098 1.00 0.00 N ATOM 745 CA CYS A 45 -13.882 3.433 4.881 1.00 0.00 C ATOM 746 C CYS A 45 -12.492 2.820 4.700 1.00 0.00 C ATOM 747 O CYS A 45 -11.744 3.221 3.810 1.00 0.00 O ATOM 748 CB CYS A 45 -13.912 4.452 6.022 1.00 0.00 C ATOM 749 SG CYS A 45 -14.976 5.870 5.566 1.00 0.00 S ATOM 0 H CYS A 45 -14.410 1.451 5.311 1.00 0.00 H new ATOM 0 HA CYS A 45 -14.154 3.985 3.981 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -14.288 3.982 6.931 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -12.901 4.799 6.237 1.00 0.00 H new ATOM 0 HG CYS A 45 -16.086 5.432 5.050 1.00 0.00 H new ATOM 755 N ARG A 46 -12.188 1.858 5.559 1.00 0.00 N ATOM 756 CA ARG A 46 -10.902 1.186 5.506 1.00 0.00 C ATOM 757 C ARG A 46 -10.455 1.010 4.053 1.00 0.00 C ATOM 758 O ARG A 46 -9.264 1.087 3.753 1.00 0.00 O ATOM 759 CB ARG A 46 -10.968 -0.186 6.181 1.00 0.00 C ATOM 760 CG ARG A 46 -10.501 -0.104 7.636 1.00 0.00 C ATOM 761 CD ARG A 46 -9.791 -1.392 8.057 1.00 0.00 C ATOM 762 NE ARG A 46 -8.891 -1.123 9.201 1.00 0.00 N ATOM 763 CZ ARG A 46 -8.036 -2.020 9.711 1.00 0.00 C ATOM 764 NH1 ARG A 46 -7.959 -3.249 9.182 1.00 0.00 N ATOM 765 NH2 ARG A 46 -7.258 -1.689 10.750 1.00 0.00 N ATOM 0 H ARG A 46 -12.811 1.528 6.296 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.182 1.806 6.040 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.989 -0.565 6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.345 -0.894 5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.827 0.744 7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.357 0.073 8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.526 -2.149 8.332 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.219 -1.792 7.220 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.924 -0.197 9.628 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.551 -3.502 8.391 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.308 -3.932 9.570 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.316 -0.754 11.153 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.607 -2.372 11.138 1.00 0.00 H new ATOM 779 N GLU A 47 -11.433 0.776 3.191 1.00 0.00 N ATOM 780 CA GLU A 47 -11.155 0.589 1.777 1.00 0.00 C ATOM 781 C GLU A 47 -10.765 1.920 1.132 1.00 0.00 C ATOM 782 O GLU A 47 -11.391 2.353 0.165 1.00 0.00 O ATOM 783 CB GLU A 47 -12.353 -0.037 1.061 1.00 0.00 C ATOM 784 CG GLU A 47 -12.039 -0.290 -0.415 1.00 0.00 C ATOM 785 CD GLU A 47 -13.203 0.148 -1.306 1.00 0.00 C ATOM 786 OE1 GLU A 47 -13.581 1.335 -1.203 1.00 0.00 O ATOM 787 OE2 GLU A 47 -13.688 -0.713 -2.071 1.00 0.00 O ATOM 0 H GLU A 47 -12.419 0.712 3.444 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.315 -0.099 1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.621 -0.976 1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.217 0.623 1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.137 0.253 -0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.836 -1.349 -0.571 1.00 0.00 H new ATOM 794 N ARG A 48 -9.732 2.533 1.692 1.00 0.00 N ATOM 795 CA ARG A 48 -9.251 3.806 1.183 1.00 0.00 C ATOM 796 C ARG A 48 -7.977 4.225 1.920 1.00 0.00 C ATOM 797 O ARG A 48 -7.036 4.724 1.305 1.00 0.00 O ATOM 798 CB ARG A 48 -10.309 4.899 1.346 1.00 0.00 C ATOM 799 CG ARG A 48 -10.549 5.632 0.024 1.00 0.00 C ATOM 800 CD ARG A 48 -9.442 6.652 -0.247 1.00 0.00 C ATOM 801 NE ARG A 48 -10.027 7.999 -0.427 1.00 0.00 N ATOM 802 CZ ARG A 48 -9.348 9.057 -0.890 1.00 0.00 C ATOM 803 NH1 ARG A 48 -8.056 8.931 -1.222 1.00 0.00 N ATOM 804 NH2 ARG A 48 -9.961 10.241 -1.021 1.00 0.00 N ATOM 0 H ARG A 48 -9.215 2.171 2.493 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.036 3.679 0.122 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.242 4.457 1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.988 5.610 2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.592 4.911 -0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.514 6.137 0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.734 6.662 0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -8.884 6.367 -1.139 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.009 8.130 -0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.589 8.029 -1.122 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.539 9.737 -1.575 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.945 10.337 -0.768 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.444 11.047 -1.373 1.00 0.00 H new ATOM 818 N TRP A 49 -7.988 4.006 3.226 1.00 0.00 N ATOM 819 CA TRP A 49 -6.845 4.354 4.053 1.00 0.00 C ATOM 820 C TRP A 49 -6.026 3.083 4.287 1.00 0.00 C ATOM 821 O TRP A 49 -4.841 3.155 4.609 1.00 0.00 O ATOM 822 CB TRP A 49 -7.293 5.025 5.353 1.00 0.00 C ATOM 823 CG TRP A 49 -7.046 6.534 5.392 1.00 0.00 C ATOM 824 CD1 TRP A 49 -5.871 7.177 5.438 1.00 0.00 C ATOM 825 CD2 TRP A 49 -8.051 7.570 5.387 1.00 0.00 C ATOM 826 NE1 TRP A 49 -6.044 8.546 5.463 1.00 0.00 N ATOM 827 CE2 TRP A 49 -7.412 8.792 5.431 1.00 0.00 C ATOM 828 CE3 TRP A 49 -9.453 7.478 5.347 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -8.094 10.015 5.438 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -10.121 8.708 5.356 1.00 0.00 C ATOM 831 CH2 TRP A 49 -9.492 9.947 5.399 1.00 0.00 C ATOM 0 H TRP A 49 -8.770 3.592 3.732 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.214 5.087 3.550 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.357 4.838 5.499 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.770 4.560 6.189 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -4.909 6.686 5.454 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -5.305 9.248 5.498 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.974 6.533 5.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -7.570 10.959 5.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -11.201 8.693 5.328 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.079 10.853 5.402 1.00 0.00 H new ATOM 842 N HIS A 50 -6.690 1.950 4.117 1.00 0.00 N ATOM 843 CA HIS A 50 -6.039 0.665 4.305 1.00 0.00 C ATOM 844 C HIS A 50 -5.713 0.049 2.943 1.00 0.00 C ATOM 845 O HIS A 50 -4.729 -0.675 2.804 1.00 0.00 O ATOM 846 CB HIS A 50 -6.892 -0.254 5.182 1.00 0.00 C ATOM 847 CG HIS A 50 -6.317 -0.499 6.556 1.00 0.00 C ATOM 848 ND1 HIS A 50 -5.494 -1.574 6.844 1.00 0.00 N ATOM 849 CD2 HIS A 50 -6.454 0.202 7.718 1.00 0.00 C ATOM 850 CE1 HIS A 50 -5.157 -1.513 8.124 1.00 0.00 C ATOM 851 NE2 HIS A 50 -5.754 -0.412 8.664 1.00 0.00 N ATOM 0 H HIS A 50 -7.673 1.895 3.851 1.00 0.00 H new ATOM 0 HA HIS A 50 -5.097 0.806 4.836 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -7.886 0.181 5.288 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -7.015 -1.211 4.675 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -5.197 -2.292 6.183 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -7.034 1.104 7.847 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.522 -2.212 8.647 1.00 0.00 H new ATOM 859 N ASN A 51 -6.559 0.361 1.971 1.00 0.00 N ATOM 860 CA ASN A 51 -6.373 -0.152 0.625 1.00 0.00 C ATOM 861 C ASN A 51 -5.960 0.994 -0.301 1.00 0.00 C ATOM 862 O ASN A 51 -6.768 1.482 -1.089 1.00 0.00 O ATOM 863 CB ASN A 51 -7.670 -0.755 0.081 1.00 0.00 C ATOM 864 CG ASN A 51 -8.135 -1.928 0.947 1.00 0.00 C ATOM 865 OD1 ASN A 51 -8.342 -1.612 2.221 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 -8.293 -3.047 0.487 1.00 0.00 N flip ATOM 0 H ASN A 51 -7.374 0.962 2.090 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.604 -0.924 0.662 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.446 0.010 0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.516 -1.093 -0.944 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.116 -3.221 -0.502 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.602 -3.808 1.092 1.00 0.00 H new ATOM 1023 N SER A 61 12.072 3.558 -9.532 1.00 0.00 N ATOM 1024 CA SER A 61 12.969 2.417 -9.463 1.00 0.00 C ATOM 1025 C SER A 61 12.174 1.117 -9.593 1.00 0.00 C ATOM 1026 O SER A 61 11.094 1.102 -10.182 1.00 0.00 O ATOM 1027 CB SER A 61 13.767 2.423 -8.157 1.00 0.00 C ATOM 1028 OG SER A 61 14.275 3.718 -7.848 1.00 0.00 O ATOM 0 HA SER A 61 13.676 2.487 -10.290 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.131 2.079 -7.342 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.595 1.718 -8.235 1.00 0.00 H new ATOM 0 HG SER A 61 13.748 4.397 -8.319 1.00 0.00 H new ATOM 1034 N TRP A 62 12.738 0.057 -9.033 1.00 0.00 N ATOM 1035 CA TRP A 62 12.094 -1.245 -9.079 1.00 0.00 C ATOM 1036 C TRP A 62 10.766 -1.143 -8.326 1.00 0.00 C ATOM 1037 O TRP A 62 10.455 -0.103 -7.748 1.00 0.00 O ATOM 1038 CB TRP A 62 13.015 -2.332 -8.521 1.00 0.00 C ATOM 1039 CG TRP A 62 14.385 -2.396 -9.199 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.519 -1.785 -8.828 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.721 -3.139 -10.390 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.557 -2.080 -9.688 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.057 -2.929 -10.668 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.924 -3.961 -11.204 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.712 -3.506 -11.763 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.593 -4.531 -12.294 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.937 -4.330 -12.588 1.00 0.00 C ATOM 0 H TRP A 62 13.634 0.073 -8.545 1.00 0.00 H new ATOM 0 HA TRP A 62 11.889 -1.537 -10.109 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.157 -2.161 -7.454 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.524 -3.299 -8.626 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.609 -1.143 -7.965 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.515 -1.738 -9.617 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.878 -4.139 -11.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.758 -3.325 -11.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.025 -5.172 -12.953 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.381 -4.807 -13.449 1.00 0.00 H new ATOM 1058 N THR A 63 10.019 -2.237 -8.358 1.00 0.00 N ATOM 1059 CA THR A 63 8.732 -2.284 -7.686 1.00 0.00 C ATOM 1060 C THR A 63 8.686 -3.453 -6.700 1.00 0.00 C ATOM 1061 O THR A 63 9.727 -3.943 -6.266 1.00 0.00 O ATOM 1062 CB THR A 63 7.641 -2.350 -8.757 1.00 0.00 C ATOM 1063 OG1 THR A 63 7.609 -3.723 -9.136 1.00 0.00 O ATOM 1064 CG2 THR A 63 8.037 -1.618 -10.042 1.00 0.00 C ATOM 0 H THR A 63 10.281 -3.098 -8.839 1.00 0.00 H new ATOM 0 HA THR A 63 8.567 -1.388 -7.087 1.00 0.00 H new ATOM 0 HB THR A 63 6.720 -1.921 -8.363 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.758 -3.920 -9.581 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.228 -1.695 -10.769 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.225 -0.568 -9.819 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.940 -2.069 -10.454 1.00 0.00 H new ATOM 1072 N GLU A 64 7.470 -3.865 -6.377 1.00 0.00 N ATOM 1073 CA GLU A 64 7.275 -4.968 -5.450 1.00 0.00 C ATOM 1074 C GLU A 64 7.452 -6.305 -6.172 1.00 0.00 C ATOM 1075 O GLU A 64 8.522 -6.910 -6.111 1.00 0.00 O ATOM 1076 CB GLU A 64 5.902 -4.885 -4.779 1.00 0.00 C ATOM 1077 CG GLU A 64 5.969 -4.057 -3.495 1.00 0.00 C ATOM 1078 CD GLU A 64 6.515 -4.890 -2.333 1.00 0.00 C ATOM 1079 OE1 GLU A 64 5.927 -5.964 -2.080 1.00 0.00 O ATOM 1080 OE2 GLU A 64 7.507 -4.434 -1.724 1.00 0.00 O ATOM 0 H GLU A 64 6.609 -3.456 -6.740 1.00 0.00 H new ATOM 0 HA GLU A 64 8.030 -4.897 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.184 -4.439 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.544 -5.889 -4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.605 -3.186 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.975 -3.686 -3.245 1.00 0.00 H new ATOM 1087 N GLU A 65 6.388 -6.727 -6.838 1.00 0.00 N ATOM 1088 CA GLU A 65 6.413 -7.982 -7.571 1.00 0.00 C ATOM 1089 C GLU A 65 7.714 -8.107 -8.366 1.00 0.00 C ATOM 1090 O GLU A 65 8.200 -9.213 -8.597 1.00 0.00 O ATOM 1091 CB GLU A 65 5.195 -8.105 -8.489 1.00 0.00 C ATOM 1092 CG GLU A 65 4.727 -6.729 -8.966 1.00 0.00 C ATOM 1093 CD GLU A 65 4.332 -6.767 -10.444 1.00 0.00 C ATOM 1094 OE1 GLU A 65 3.141 -7.043 -10.706 1.00 0.00 O ATOM 1095 OE2 GLU A 65 5.229 -6.518 -11.278 1.00 0.00 O ATOM 0 H GLU A 65 5.503 -6.223 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 65 6.370 -8.801 -6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.445 -8.726 -9.349 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.385 -8.605 -7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.877 -6.402 -8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.522 -5.998 -8.817 1.00 0.00 H new ATOM 1102 N GLU A 66 8.240 -6.957 -8.762 1.00 0.00 N ATOM 1103 CA GLU A 66 9.476 -6.924 -9.526 1.00 0.00 C ATOM 1104 C GLU A 66 10.653 -7.362 -8.652 1.00 0.00 C ATOM 1105 O GLU A 66 11.526 -8.100 -9.105 1.00 0.00 O ATOM 1106 CB GLU A 66 9.718 -5.534 -10.116 1.00 0.00 C ATOM 1107 CG GLU A 66 8.844 -5.301 -11.351 1.00 0.00 C ATOM 1108 CD GLU A 66 9.668 -4.729 -12.506 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.657 -5.394 -12.882 1.00 0.00 O ATOM 1110 OE2 GLU A 66 9.290 -3.639 -12.987 1.00 0.00 O ATOM 0 H GLU A 66 7.833 -6.042 -8.568 1.00 0.00 H new ATOM 0 HA GLU A 66 9.386 -7.624 -10.356 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.502 -4.774 -9.365 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.769 -5.427 -10.385 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.384 -6.240 -11.658 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.034 -4.615 -11.103 1.00 0.00 H new ATOM 1117 N ASP A 67 10.638 -6.888 -7.415 1.00 0.00 N ATOM 1118 CA ASP A 67 11.693 -7.221 -6.474 1.00 0.00 C ATOM 1119 C ASP A 67 11.623 -8.713 -6.143 1.00 0.00 C ATOM 1120 O ASP A 67 12.639 -9.406 -6.163 1.00 0.00 O ATOM 1121 CB ASP A 67 11.534 -6.439 -5.168 1.00 0.00 C ATOM 1122 CG ASP A 67 12.845 -6.034 -4.493 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.356 -4.950 -4.848 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.308 -6.818 -3.636 1.00 0.00 O ATOM 0 H ASP A 67 9.912 -6.276 -7.043 1.00 0.00 H new ATOM 0 HA ASP A 67 12.648 -6.965 -6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.954 -5.539 -5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.954 -7.042 -4.469 1.00 0.00 H new ATOM 1129 N ARG A 68 10.413 -9.164 -5.845 1.00 0.00 N ATOM 1130 CA ARG A 68 10.197 -10.562 -5.510 1.00 0.00 C ATOM 1131 C ARG A 68 10.702 -11.462 -6.639 1.00 0.00 C ATOM 1132 O ARG A 68 11.605 -12.272 -6.436 1.00 0.00 O ATOM 1133 CB ARG A 68 8.714 -10.846 -5.263 1.00 0.00 C ATOM 1134 CG ARG A 68 8.340 -10.578 -3.804 1.00 0.00 C ATOM 1135 CD ARG A 68 7.714 -11.818 -3.162 1.00 0.00 C ATOM 1136 NE ARG A 68 8.748 -12.855 -2.952 1.00 0.00 N ATOM 1137 CZ ARG A 68 8.511 -14.050 -2.394 1.00 0.00 C ATOM 1138 NH1 ARG A 68 7.274 -14.365 -1.986 1.00 0.00 N ATOM 1139 NH2 ARG A 68 9.510 -14.930 -2.242 1.00 0.00 N ATOM 0 H ARG A 68 9.572 -8.587 -5.829 1.00 0.00 H new ATOM 0 HA ARG A 68 10.752 -10.774 -4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.106 -10.222 -5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.492 -11.883 -5.514 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.228 -10.284 -3.245 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.640 -9.744 -3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.255 -11.552 -2.210 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.921 -12.207 -3.801 1.00 0.00 H new ATOM 0 HE ARG A 68 9.701 -12.647 -3.251 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.513 -13.695 -2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.093 -15.275 -1.561 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.452 -14.691 -2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.328 -15.839 -1.817 1.00 0.00 H new ATOM 1153 N ILE A 69 10.095 -11.291 -7.805 1.00 0.00 N ATOM 1154 CA ILE A 69 10.472 -12.078 -8.967 1.00 0.00 C ATOM 1155 C ILE A 69 11.987 -12.290 -8.965 1.00 0.00 C ATOM 1156 O ILE A 69 12.460 -13.416 -8.823 1.00 0.00 O ATOM 1157 CB ILE A 69 9.942 -11.430 -10.247 1.00 0.00 C ATOM 1158 CG1 ILE A 69 8.424 -11.585 -10.353 1.00 0.00 C ATOM 1159 CG2 ILE A 69 10.662 -11.983 -11.479 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.881 -10.846 -11.578 1.00 0.00 C ATOM 0 H ILE A 69 9.345 -10.619 -7.970 1.00 0.00 H new ATOM 0 HA ILE A 69 10.013 -13.066 -8.924 1.00 0.00 H new ATOM 0 HB ILE A 69 10.153 -10.362 -10.202 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.167 -12.642 -10.418 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.951 -11.197 -9.451 1.00 0.00 H new ATOM 0 HG21 ILE A 69 10.267 -11.506 -12.376 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.730 -11.778 -11.399 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.503 -13.060 -11.541 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.800 -10.973 -11.629 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.119 -9.785 -11.498 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.337 -11.253 -12.480 1.00 0.00 H new ATOM 1172 N ILE A 70 12.706 -11.188 -9.125 1.00 0.00 N ATOM 1173 CA ILE A 70 14.158 -11.239 -9.144 1.00 0.00 C ATOM 1174 C ILE A 70 14.654 -12.000 -7.913 1.00 0.00 C ATOM 1175 O ILE A 70 15.530 -12.856 -8.019 1.00 0.00 O ATOM 1176 CB ILE A 70 14.741 -9.830 -9.273 1.00 0.00 C ATOM 1177 CG1 ILE A 70 14.133 -9.091 -10.467 1.00 0.00 C ATOM 1178 CG2 ILE A 70 16.269 -9.874 -9.344 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.746 -7.698 -10.619 1.00 0.00 C ATOM 0 H ILE A 70 12.310 -10.255 -9.243 1.00 0.00 H new ATOM 0 HA ILE A 70 14.509 -11.786 -10.019 1.00 0.00 H new ATOM 0 HB ILE A 70 14.476 -9.268 -8.378 1.00 0.00 H new ATOM 0 HG12 ILE A 70 14.298 -9.666 -11.378 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.054 -9.005 -10.335 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.658 -8.860 -9.435 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.662 -10.333 -8.437 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.576 -10.460 -10.210 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.297 -7.194 -11.475 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.558 -7.117 -9.716 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.821 -7.789 -10.775 1.00 0.00 H new ATOM 1191 N PHE A 71 14.071 -11.660 -6.773 1.00 0.00 N ATOM 1192 CA PHE A 71 14.443 -12.300 -5.522 1.00 0.00 C ATOM 1193 C PHE A 71 14.042 -13.777 -5.522 1.00 0.00 C ATOM 1194 O PHE A 71 14.492 -14.546 -4.675 1.00 0.00 O ATOM 1195 CB PHE A 71 13.684 -11.578 -4.407 1.00 0.00 C ATOM 1196 CG PHE A 71 13.781 -12.264 -3.043 1.00 0.00 C ATOM 1197 CD1 PHE A 71 14.977 -12.332 -2.399 1.00 0.00 C ATOM 1198 CD2 PHE A 71 12.671 -12.808 -2.475 1.00 0.00 C ATOM 1199 CE1 PHE A 71 15.066 -12.969 -1.133 1.00 0.00 C ATOM 1200 CE2 PHE A 71 12.760 -13.445 -1.210 1.00 0.00 C ATOM 1201 CZ PHE A 71 13.956 -13.512 -0.565 1.00 0.00 C ATOM 0 H PHE A 71 13.344 -10.950 -6.689 1.00 0.00 H new ATOM 0 HA PHE A 71 15.522 -12.244 -5.382 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.068 -10.562 -4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 71 12.634 -11.499 -4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 71 15.859 -11.902 -2.850 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.722 -12.755 -2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 71 16.015 -13.022 -0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.878 -13.877 -0.759 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.024 -13.996 0.398 1.00 0.00 H new ATOM 1211 N GLU A 72 13.199 -14.128 -6.483 1.00 0.00 N ATOM 1212 CA GLU A 72 12.732 -15.498 -6.604 1.00 0.00 C ATOM 1213 C GLU A 72 12.975 -16.018 -8.022 1.00 0.00 C ATOM 1214 O GLU A 72 12.331 -16.972 -8.456 1.00 0.00 O ATOM 1215 CB GLU A 72 11.254 -15.610 -6.225 1.00 0.00 C ATOM 1216 CG GLU A 72 10.357 -15.139 -7.372 1.00 0.00 C ATOM 1217 CD GLU A 72 9.389 -16.244 -7.799 1.00 0.00 C ATOM 1218 OE1 GLU A 72 8.562 -16.635 -6.947 1.00 0.00 O ATOM 1219 OE2 GLU A 72 9.497 -16.673 -8.968 1.00 0.00 O ATOM 0 H GLU A 72 12.828 -13.487 -7.184 1.00 0.00 H new ATOM 0 HA GLU A 72 13.299 -16.117 -5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.017 -16.644 -5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.057 -15.012 -5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.795 -14.258 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.972 -14.841 -8.221 1.00 0.00 H new ATOM 1226 N ALA A 73 13.906 -15.368 -8.705 1.00 0.00 N ATOM 1227 CA ALA A 73 14.242 -15.753 -10.065 1.00 0.00 C ATOM 1228 C ALA A 73 15.706 -16.194 -10.119 1.00 0.00 C ATOM 1229 O ALA A 73 16.061 -17.088 -10.885 1.00 0.00 O ATOM 1230 CB ALA A 73 13.949 -14.588 -11.013 1.00 0.00 C ATOM 0 H ALA A 73 14.438 -14.577 -8.342 1.00 0.00 H new ATOM 0 HA ALA A 73 13.631 -16.597 -10.387 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.201 -14.877 -12.033 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.891 -14.332 -10.959 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.546 -13.724 -10.723 1.00 0.00 H new ATOM 1236 N HIS A 74 16.517 -15.546 -9.295 1.00 0.00 N ATOM 1237 CA HIS A 74 17.934 -15.861 -9.239 1.00 0.00 C ATOM 1238 C HIS A 74 18.129 -17.242 -8.610 1.00 0.00 C ATOM 1239 O HIS A 74 19.209 -17.824 -8.704 1.00 0.00 O ATOM 1240 CB HIS A 74 18.706 -14.761 -8.507 1.00 0.00 C ATOM 1241 CG HIS A 74 20.150 -14.637 -8.932 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.705 -14.104 -10.058 1.00 0.00 N flip ATOM 1243 CD2 HIS A 74 21.201 -15.094 -8.157 1.00 0.00 C flip ATOM 1244 CE1 HIS A 74 22.023 -14.227 -9.975 1.00 0.00 C flip ATOM 1245 NE2 HIS A 74 22.333 -14.842 -8.797 1.00 0.00 N flip ATOM 0 H HIS A 74 16.219 -14.804 -8.661 1.00 0.00 H new ATOM 0 HA HIS A 74 18.342 -15.900 -10.249 1.00 0.00 H new ATOM 0 HB2 HIS A 74 18.206 -13.807 -8.674 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.669 -14.957 -7.435 1.00 0.00 H new ATOM 0 HD1 HIS A 74 20.193 -13.682 -10.833 1.00 0.00 H new ATOM 0 HD2 HIS A 74 21.113 -15.575 -7.194 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.734 -13.895 -10.717 1.00 0.00 H new ATOM 1253 N LYS A 75 17.068 -17.726 -7.983 1.00 0.00 N ATOM 1254 CA LYS A 75 17.108 -19.028 -7.338 1.00 0.00 C ATOM 1255 C LYS A 75 16.373 -20.047 -8.211 1.00 0.00 C ATOM 1256 O LYS A 75 16.096 -21.162 -7.770 1.00 0.00 O ATOM 1257 CB LYS A 75 16.567 -18.936 -5.910 1.00 0.00 C ATOM 1258 CG LYS A 75 15.037 -18.901 -5.905 1.00 0.00 C ATOM 1259 CD LYS A 75 14.501 -18.562 -4.513 1.00 0.00 C ATOM 1260 CE LYS A 75 14.154 -19.833 -3.735 1.00 0.00 C ATOM 1261 NZ LYS A 75 15.387 -20.547 -3.333 1.00 0.00 N ATOM 0 H LYS A 75 16.174 -17.240 -7.907 1.00 0.00 H new ATOM 0 HA LYS A 75 18.137 -19.374 -7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.917 -19.789 -5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.957 -18.040 -5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.684 -18.162 -6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.647 -19.868 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.245 -17.986 -3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.615 -17.933 -4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.570 -19.577 -2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.533 -20.485 -4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.181 -21.167 -2.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.731 -21.121 -4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.116 -19.856 -3.063 1.00 0.00 H new ATOM 1275 N VAL A 76 16.077 -19.629 -9.432 1.00 0.00 N ATOM 1276 CA VAL A 76 15.379 -20.491 -10.370 1.00 0.00 C ATOM 1277 C VAL A 76 16.303 -20.810 -11.548 1.00 0.00 C ATOM 1278 O VAL A 76 16.275 -21.918 -12.081 1.00 0.00 O ATOM 1279 CB VAL A 76 14.064 -19.840 -10.801 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.034 -20.898 -11.204 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.515 -18.931 -9.699 1.00 0.00 C ATOM 0 H VAL A 76 16.308 -18.704 -9.794 1.00 0.00 H new ATOM 0 HA VAL A 76 15.117 -21.437 -9.897 1.00 0.00 H new ATOM 0 HB VAL A 76 14.267 -19.221 -11.675 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.108 -20.408 -11.506 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.422 -21.485 -12.036 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.837 -21.555 -10.357 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.580 -18.481 -10.031 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.335 -19.519 -8.799 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.239 -18.145 -9.481 1.00 0.00 H new ATOM 1291 N LEU A 77 17.099 -19.818 -11.920 1.00 0.00 N ATOM 1292 CA LEU A 77 18.029 -19.978 -13.024 1.00 0.00 C ATOM 1293 C LEU A 77 19.446 -19.663 -12.542 1.00 0.00 C ATOM 1294 O LEU A 77 20.264 -20.566 -12.374 1.00 0.00 O ATOM 1295 CB LEU A 77 17.586 -19.138 -14.224 1.00 0.00 C ATOM 1296 CG LEU A 77 16.081 -18.895 -14.354 1.00 0.00 C ATOM 1297 CD1 LEU A 77 15.716 -17.475 -13.917 1.00 0.00 C ATOM 1298 CD2 LEU A 77 15.597 -19.201 -15.772 1.00 0.00 C ATOM 0 H LEU A 77 17.119 -18.900 -11.476 1.00 0.00 H new ATOM 0 HA LEU A 77 18.033 -21.011 -13.372 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.087 -18.171 -14.170 1.00 0.00 H new ATOM 0 HB3 LEU A 77 17.935 -19.627 -15.133 1.00 0.00 H new ATOM 0 HG LEU A 77 15.564 -19.581 -13.683 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.641 -17.328 -14.019 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.005 -17.329 -12.876 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.242 -16.755 -14.544 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.524 -19.020 -15.837 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.117 -18.557 -16.481 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.804 -20.244 -16.010 1.00 0.00 H new ATOM 1310 N GLY A 78 19.694 -18.378 -12.333 1.00 0.00 N ATOM 1311 CA GLY A 78 20.998 -17.932 -11.873 1.00 0.00 C ATOM 1312 C GLY A 78 21.188 -16.436 -12.131 1.00 0.00 C ATOM 1313 O GLY A 78 20.316 -15.631 -11.808 1.00 0.00 O ATOM 0 H GLY A 78 19.013 -17.631 -12.474 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.101 -18.137 -10.807 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.780 -18.495 -12.383 1.00 0.00 H new ATOM 1317 N ASN A 79 22.334 -16.109 -12.710 1.00 0.00 N ATOM 1318 CA ASN A 79 22.650 -14.724 -13.014 1.00 0.00 C ATOM 1319 C ASN A 79 22.131 -14.382 -14.412 1.00 0.00 C ATOM 1320 O ASN A 79 22.652 -13.483 -15.070 1.00 0.00 O ATOM 1321 CB ASN A 79 24.162 -14.488 -13.001 1.00 0.00 C ATOM 1322 CG ASN A 79 24.922 -15.809 -12.868 1.00 0.00 C ATOM 1323 OD1 ASN A 79 24.687 -16.765 -13.589 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.843 -15.809 -11.909 1.00 0.00 N ATOM 0 H ASN A 79 23.055 -16.779 -12.977 1.00 0.00 H new ATOM 0 HA ASN A 79 22.180 -14.097 -12.256 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.463 -13.982 -13.919 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.424 -13.829 -12.173 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.404 -16.644 -11.741 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.988 -14.974 -11.342 1.00 0.00 H new ATOM 1331 N ARG A 80 21.109 -15.118 -14.825 1.00 0.00 N ATOM 1332 CA ARG A 80 20.513 -14.904 -16.132 1.00 0.00 C ATOM 1333 C ARG A 80 19.712 -13.600 -16.144 1.00 0.00 C ATOM 1334 O ARG A 80 18.524 -13.600 -16.462 1.00 0.00 O ATOM 1335 CB ARG A 80 19.591 -16.064 -16.514 1.00 0.00 C ATOM 1336 CG ARG A 80 20.318 -17.072 -17.406 1.00 0.00 C ATOM 1337 CD ARG A 80 20.473 -18.419 -16.698 1.00 0.00 C ATOM 1338 NE ARG A 80 20.286 -19.524 -17.665 1.00 0.00 N ATOM 1339 CZ ARG A 80 20.769 -20.762 -17.494 1.00 0.00 C ATOM 1340 NH1 ARG A 80 21.471 -21.061 -16.393 1.00 0.00 N ATOM 1341 NH2 ARG A 80 20.550 -21.701 -18.425 1.00 0.00 N ATOM 0 H ARG A 80 20.679 -15.863 -14.277 1.00 0.00 H new ATOM 0 HA ARG A 80 21.323 -14.844 -16.859 1.00 0.00 H new ATOM 0 HB2 ARG A 80 19.235 -16.562 -15.612 1.00 0.00 H new ATOM 0 HB3 ARG A 80 18.713 -15.680 -17.034 1.00 0.00 H new ATOM 0 HG2 ARG A 80 19.764 -17.207 -18.335 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.300 -16.683 -17.675 1.00 0.00 H new ATOM 0 HD2 ARG A 80 21.460 -18.488 -16.241 1.00 0.00 H new ATOM 0 HD3 ARG A 80 19.743 -18.502 -15.893 1.00 0.00 H new ATOM 0 HE ARG A 80 19.756 -19.331 -18.515 1.00 0.00 H new ATOM 0 HH11 ARG A 80 21.638 -20.346 -15.685 1.00 0.00 H new ATOM 0 HH12 ARG A 80 21.839 -22.003 -16.263 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.016 -21.473 -19.263 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.918 -22.644 -18.295 1.00 0.00 H new ATOM 1355 N TRP A 81 20.395 -12.520 -15.794 1.00 0.00 N ATOM 1356 CA TRP A 81 19.762 -11.213 -15.760 1.00 0.00 C ATOM 1357 C TRP A 81 19.051 -10.997 -17.097 1.00 0.00 C ATOM 1358 O TRP A 81 17.979 -10.396 -17.144 1.00 0.00 O ATOM 1359 CB TRP A 81 20.782 -10.118 -15.442 1.00 0.00 C ATOM 1360 CG TRP A 81 21.827 -10.524 -14.401 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.155 -10.617 -14.557 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.576 -10.892 -13.028 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.775 -11.015 -13.391 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.784 -11.188 -12.431 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.367 -10.971 -12.314 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 22.902 -11.583 -11.093 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.502 -11.368 -10.978 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.711 -11.669 -10.363 1.00 0.00 C ATOM 0 H TRP A 81 21.381 -12.524 -15.531 1.00 0.00 H new ATOM 0 HA TRP A 81 19.023 -11.163 -14.961 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.292 -9.833 -16.362 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.252 -9.235 -15.085 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.675 -10.407 -15.480 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.776 -11.156 -13.257 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.410 -10.744 -12.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.860 -11.809 -10.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.603 -11.446 -10.384 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.732 -11.968 -9.325 1.00 0.00 H new ATOM 1379 N ALA A 82 19.677 -11.499 -18.152 1.00 0.00 N ATOM 1380 CA ALA A 82 19.117 -11.369 -19.486 1.00 0.00 C ATOM 1381 C ALA A 82 17.710 -11.970 -19.505 1.00 0.00 C ATOM 1382 O ALA A 82 16.859 -11.541 -20.282 1.00 0.00 O ATOM 1383 CB ALA A 82 20.050 -12.036 -20.499 1.00 0.00 C ATOM 0 H ALA A 82 20.567 -11.996 -18.109 1.00 0.00 H new ATOM 0 HA ALA A 82 19.030 -10.319 -19.765 1.00 0.00 H new ATOM 0 HB1 ALA A 82 19.630 -11.938 -21.500 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.027 -11.553 -20.467 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.159 -13.092 -20.253 1.00 0.00 H new ATOM 1389 N GLU A 83 17.510 -12.953 -18.641 1.00 0.00 N ATOM 1390 CA GLU A 83 16.221 -13.617 -18.549 1.00 0.00 C ATOM 1391 C GLU A 83 15.372 -12.978 -17.448 1.00 0.00 C ATOM 1392 O GLU A 83 14.165 -12.806 -17.611 1.00 0.00 O ATOM 1393 CB GLU A 83 16.393 -15.118 -18.306 1.00 0.00 C ATOM 1394 CG GLU A 83 17.323 -15.739 -19.350 1.00 0.00 C ATOM 1395 CD GLU A 83 16.526 -16.507 -20.406 1.00 0.00 C ATOM 1396 OE1 GLU A 83 15.421 -16.028 -20.742 1.00 0.00 O ATOM 1397 OE2 GLU A 83 17.039 -17.555 -20.854 1.00 0.00 O ATOM 0 H GLU A 83 18.219 -13.306 -17.998 1.00 0.00 H new ATOM 0 HA GLU A 83 15.702 -13.493 -19.500 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.798 -15.284 -17.308 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.421 -15.610 -18.341 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.910 -14.957 -19.830 1.00 0.00 H new ATOM 0 HG3 GLU A 83 18.028 -16.411 -18.861 1.00 0.00 H new ATOM 1404 N ILE A 84 16.036 -12.643 -16.352 1.00 0.00 N ATOM 1405 CA ILE A 84 15.357 -12.026 -15.225 1.00 0.00 C ATOM 1406 C ILE A 84 14.521 -10.845 -15.722 1.00 0.00 C ATOM 1407 O ILE A 84 13.347 -10.722 -15.377 1.00 0.00 O ATOM 1408 CB ILE A 84 16.362 -11.651 -14.134 1.00 0.00 C ATOM 1409 CG1 ILE A 84 17.102 -12.889 -13.622 1.00 0.00 C ATOM 1410 CG2 ILE A 84 15.680 -10.882 -13.001 1.00 0.00 C ATOM 1411 CD1 ILE A 84 16.327 -13.562 -12.488 1.00 0.00 C ATOM 0 H ILE A 84 17.037 -12.787 -16.220 1.00 0.00 H new ATOM 0 HA ILE A 84 14.668 -12.733 -14.763 1.00 0.00 H new ATOM 0 HB ILE A 84 17.108 -10.987 -14.570 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.244 -13.596 -14.439 1.00 0.00 H new ATOM 0 HG13 ILE A 84 18.094 -12.605 -13.270 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.417 -10.628 -12.239 1.00 0.00 H new ATOM 0 HG22 ILE A 84 15.237 -9.968 -13.397 1.00 0.00 H new ATOM 0 HG23 ILE A 84 14.900 -11.502 -12.559 1.00 0.00 H new ATOM 0 HD11 ILE A 84 16.875 -14.439 -12.143 1.00 0.00 H new ATOM 0 HD12 ILE A 84 16.208 -12.860 -11.662 1.00 0.00 H new ATOM 0 HD13 ILE A 84 15.345 -13.867 -12.849 1.00 0.00 H new ATOM 1423 N ALA A 85 15.159 -10.006 -16.525 1.00 0.00 N ATOM 1424 CA ALA A 85 14.489 -8.840 -17.074 1.00 0.00 C ATOM 1425 C ALA A 85 13.400 -9.293 -18.048 1.00 0.00 C ATOM 1426 O ALA A 85 12.279 -8.789 -18.010 1.00 0.00 O ATOM 1427 CB ALA A 85 15.520 -7.924 -17.737 1.00 0.00 C ATOM 0 H ALA A 85 16.133 -10.111 -16.808 1.00 0.00 H new ATOM 0 HA ALA A 85 14.005 -8.268 -16.282 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.018 -7.049 -18.149 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.254 -7.606 -16.996 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.024 -8.464 -18.539 1.00 0.00 H new ATOM 1433 N LYS A 86 13.768 -10.241 -18.898 1.00 0.00 N ATOM 1434 CA LYS A 86 12.836 -10.768 -19.880 1.00 0.00 C ATOM 1435 C LYS A 86 11.465 -10.954 -19.227 1.00 0.00 C ATOM 1436 O LYS A 86 10.438 -10.872 -19.898 1.00 0.00 O ATOM 1437 CB LYS A 86 13.393 -12.043 -20.516 1.00 0.00 C ATOM 1438 CG LYS A 86 14.269 -11.715 -21.727 1.00 0.00 C ATOM 1439 CD LYS A 86 14.922 -12.978 -22.290 1.00 0.00 C ATOM 1440 CE LYS A 86 15.714 -12.666 -23.561 1.00 0.00 C ATOM 1441 NZ LYS A 86 16.701 -13.735 -23.832 1.00 0.00 N ATOM 0 H LYS A 86 14.699 -10.657 -18.927 1.00 0.00 H new ATOM 0 HA LYS A 86 12.705 -10.061 -20.700 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.977 -12.596 -19.780 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.571 -12.690 -20.822 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.665 -11.239 -22.499 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.040 -11.000 -21.440 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.585 -13.413 -21.542 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.155 -13.722 -22.508 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.033 -12.569 -24.406 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.225 -11.710 -23.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.230 -13.508 -24.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.362 -13.809 -23.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.206 -14.641 -23.957 1.00 0.00 H new ATOM 1455 N LEU A 87 11.493 -11.202 -17.926 1.00 0.00 N ATOM 1456 CA LEU A 87 10.266 -11.400 -17.175 1.00 0.00 C ATOM 1457 C LEU A 87 9.569 -10.052 -16.979 1.00 0.00 C ATOM 1458 O LEU A 87 8.384 -9.913 -17.278 1.00 0.00 O ATOM 1459 CB LEU A 87 10.551 -12.140 -15.867 1.00 0.00 C ATOM 1460 CG LEU A 87 11.117 -13.555 -16.006 1.00 0.00 C ATOM 1461 CD1 LEU A 87 11.972 -13.926 -14.793 1.00 0.00 C ATOM 1462 CD2 LEU A 87 10.000 -14.571 -16.251 1.00 0.00 C ATOM 0 H LEU A 87 12.347 -11.270 -17.373 1.00 0.00 H new ATOM 0 HA LEU A 87 9.579 -12.037 -17.731 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.252 -11.545 -15.282 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.625 -12.195 -15.295 1.00 0.00 H new ATOM 0 HG LEU A 87 11.770 -13.577 -16.879 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.362 -14.936 -14.918 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.802 -13.225 -14.705 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.362 -13.881 -13.891 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.430 -15.568 -16.346 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.303 -14.555 -15.413 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.470 -14.315 -17.169 1.00 0.00 H new ATOM 1474 N LEU A 88 10.334 -9.094 -16.477 1.00 0.00 N ATOM 1475 CA LEU A 88 9.805 -7.762 -16.238 1.00 0.00 C ATOM 1476 C LEU A 88 10.199 -6.846 -17.398 1.00 0.00 C ATOM 1477 O LEU A 88 11.373 -6.519 -17.565 1.00 0.00 O ATOM 1478 CB LEU A 88 10.251 -7.247 -14.868 1.00 0.00 C ATOM 1479 CG LEU A 88 9.918 -8.142 -13.674 1.00 0.00 C ATOM 1480 CD1 LEU A 88 8.408 -8.363 -13.558 1.00 0.00 C ATOM 1481 CD2 LEU A 88 10.686 -9.463 -13.748 1.00 0.00 C ATOM 0 H LEU A 88 11.316 -9.214 -16.229 1.00 0.00 H new ATOM 0 HA LEU A 88 8.716 -7.784 -16.205 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.330 -7.095 -14.893 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.795 -6.271 -14.703 1.00 0.00 H new ATOM 0 HG LEU A 88 10.240 -7.633 -12.766 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.199 -9.003 -12.701 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.909 -7.403 -13.425 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.039 -8.841 -14.466 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.431 -10.081 -12.887 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.418 -9.989 -14.664 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.757 -9.262 -13.746 1.00 0.00 H new ATOM 1493 N PRO A 89 9.168 -6.446 -18.191 1.00 0.00 N ATOM 1494 CA PRO A 89 9.395 -5.574 -19.330 1.00 0.00 C ATOM 1495 C PRO A 89 9.650 -4.135 -18.877 1.00 0.00 C ATOM 1496 O PRO A 89 8.836 -3.552 -18.163 1.00 0.00 O ATOM 1497 CB PRO A 89 8.148 -5.714 -20.188 1.00 0.00 C ATOM 1498 CG PRO A 89 7.079 -6.294 -19.276 1.00 0.00 C ATOM 1499 CD PRO A 89 7.765 -6.813 -18.023 1.00 0.00 C ATOM 0 HA PRO A 89 10.285 -5.847 -19.897 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.839 -4.748 -20.588 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.332 -6.368 -21.040 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.342 -5.533 -19.020 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.544 -7.099 -19.779 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.343 -6.363 -17.125 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.647 -7.892 -17.925 1.00 0.00 H new ATOM 1507 N GLY A 90 10.784 -3.603 -19.311 1.00 0.00 N ATOM 1508 CA GLY A 90 11.156 -2.244 -18.959 1.00 0.00 C ATOM 1509 C GLY A 90 12.636 -2.161 -18.579 1.00 0.00 C ATOM 1510 O GLY A 90 13.370 -1.328 -19.108 1.00 0.00 O ATOM 0 H GLY A 90 11.457 -4.089 -19.903 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.955 -1.579 -19.799 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.543 -1.900 -18.126 1.00 0.00 H new ATOM 1514 N ARG A 91 13.029 -3.037 -17.667 1.00 0.00 N ATOM 1515 CA ARG A 91 14.408 -3.073 -17.210 1.00 0.00 C ATOM 1516 C ARG A 91 15.235 -4.010 -18.094 1.00 0.00 C ATOM 1517 O ARG A 91 14.683 -4.867 -18.782 1.00 0.00 O ATOM 1518 CB ARG A 91 14.496 -3.545 -15.757 1.00 0.00 C ATOM 1519 CG ARG A 91 13.917 -2.496 -14.805 1.00 0.00 C ATOM 1520 CD ARG A 91 14.859 -1.298 -14.672 1.00 0.00 C ATOM 1521 NE ARG A 91 14.213 -0.233 -13.873 1.00 0.00 N ATOM 1522 CZ ARG A 91 14.569 1.058 -13.915 1.00 0.00 C ATOM 1523 NH1 ARG A 91 15.567 1.452 -14.718 1.00 0.00 N ATOM 1524 NH2 ARG A 91 13.926 1.956 -13.155 1.00 0.00 N ATOM 0 H ARG A 91 12.417 -3.727 -17.232 1.00 0.00 H new ATOM 0 HA ARG A 91 14.805 -2.060 -17.275 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.955 -4.484 -15.642 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.536 -3.743 -15.497 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.947 -2.162 -15.173 1.00 0.00 H new ATOM 0 HG3 ARG A 91 13.749 -2.942 -13.825 1.00 0.00 H new ATOM 0 HD2 ARG A 91 15.789 -1.608 -14.196 1.00 0.00 H new ATOM 0 HD3 ARG A 91 15.118 -0.917 -15.660 1.00 0.00 H new ATOM 0 HE ARG A 91 13.449 -0.498 -13.251 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.055 0.769 -15.297 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.838 2.435 -14.750 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.166 1.656 -12.545 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.197 2.939 -13.187 1.00 0.00 H new ATOM 1538 N THR A 92 16.545 -3.815 -18.045 1.00 0.00 N ATOM 1539 CA THR A 92 17.453 -4.631 -18.833 1.00 0.00 C ATOM 1540 C THR A 92 18.210 -5.608 -17.931 1.00 0.00 C ATOM 1541 O THR A 92 17.879 -5.757 -16.755 1.00 0.00 O ATOM 1542 CB THR A 92 18.371 -3.693 -19.618 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.820 -2.753 -18.647 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.608 -2.843 -20.635 1.00 0.00 C ATOM 0 H THR A 92 16.999 -3.104 -17.472 1.00 0.00 H new ATOM 0 HA THR A 92 16.910 -5.250 -19.547 1.00 0.00 H new ATOM 0 HB THR A 92 19.133 -4.278 -20.133 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.423 -2.107 -19.071 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.306 -2.195 -21.165 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.105 -3.495 -21.349 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.868 -2.232 -20.117 1.00 0.00 H new ATOM 1552 N ASP A 93 19.211 -6.249 -18.515 1.00 0.00 N ATOM 1553 CA ASP A 93 20.018 -7.207 -17.779 1.00 0.00 C ATOM 1554 C ASP A 93 20.953 -6.457 -16.828 1.00 0.00 C ATOM 1555 O ASP A 93 21.095 -6.834 -15.666 1.00 0.00 O ATOM 1556 CB ASP A 93 20.880 -8.044 -18.727 1.00 0.00 C ATOM 1557 CG ASP A 93 21.585 -7.252 -19.829 1.00 0.00 C ATOM 1558 OD1 ASP A 93 20.860 -6.626 -20.631 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.835 -7.292 -19.845 1.00 0.00 O ATOM 0 H ASP A 93 19.482 -6.124 -19.490 1.00 0.00 H new ATOM 0 HA ASP A 93 19.344 -7.864 -17.229 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.633 -8.570 -18.140 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.250 -8.803 -19.192 1.00 0.00 H new ATOM 1564 N ASN A 94 21.566 -5.408 -17.357 1.00 0.00 N ATOM 1565 CA ASN A 94 22.483 -4.602 -16.570 1.00 0.00 C ATOM 1566 C ASN A 94 21.717 -3.939 -15.423 1.00 0.00 C ATOM 1567 O ASN A 94 22.322 -3.423 -14.485 1.00 0.00 O ATOM 1568 CB ASN A 94 23.111 -3.495 -17.420 1.00 0.00 C ATOM 1569 CG ASN A 94 24.627 -3.675 -17.520 1.00 0.00 C ATOM 1570 OD1 ASN A 94 25.351 -3.620 -16.539 1.00 0.00 O ATOM 1571 ND2 ASN A 94 25.066 -3.892 -18.756 1.00 0.00 N ATOM 0 H ASN A 94 21.445 -5.098 -18.321 1.00 0.00 H new ATOM 0 HA ASN A 94 23.268 -5.257 -16.192 1.00 0.00 H new ATOM 0 HB2 ASN A 94 22.673 -3.505 -18.418 1.00 0.00 H new ATOM 0 HB3 ASN A 94 22.885 -2.523 -16.983 1.00 0.00 H new ATOM 0 HD21 ASN A 94 26.063 -4.024 -18.927 1.00 0.00 H new ATOM 0 HD22 ASN A 94 24.406 -3.926 -19.533 1.00 0.00 H new ATOM 1578 N ALA A 95 20.397 -3.976 -15.536 1.00 0.00 N ATOM 1579 CA ALA A 95 19.543 -3.386 -14.520 1.00 0.00 C ATOM 1580 C ALA A 95 19.396 -4.364 -13.352 1.00 0.00 C ATOM 1581 O ALA A 95 19.862 -4.092 -12.247 1.00 0.00 O ATOM 1582 CB ALA A 95 18.195 -3.012 -15.140 1.00 0.00 C ATOM 0 H ALA A 95 19.899 -4.405 -16.316 1.00 0.00 H new ATOM 0 HA ALA A 95 19.988 -2.471 -14.130 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.554 -2.569 -14.378 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.351 -2.293 -15.945 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.718 -3.907 -15.540 1.00 0.00 H new ATOM 1588 N VAL A 96 18.745 -5.483 -13.638 1.00 0.00 N ATOM 1589 CA VAL A 96 18.531 -6.503 -12.625 1.00 0.00 C ATOM 1590 C VAL A 96 19.877 -6.906 -12.020 1.00 0.00 C ATOM 1591 O VAL A 96 20.036 -6.915 -10.801 1.00 0.00 O ATOM 1592 CB VAL A 96 17.768 -7.685 -13.227 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.516 -8.767 -12.175 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.456 -7.223 -13.865 1.00 0.00 C ATOM 0 H VAL A 96 18.359 -5.705 -14.556 1.00 0.00 H new ATOM 0 HA VAL A 96 17.915 -6.113 -11.815 1.00 0.00 H new ATOM 0 HB VAL A 96 18.387 -8.119 -14.012 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.972 -9.596 -12.628 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.469 -9.127 -11.788 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.927 -8.350 -11.358 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.933 -8.082 -14.285 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.829 -6.752 -13.108 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.670 -6.505 -14.657 1.00 0.00 H new ATOM 1604 N LYS A 97 20.813 -7.229 -12.901 1.00 0.00 N ATOM 1605 CA LYS A 97 22.140 -7.632 -12.469 1.00 0.00 C ATOM 1606 C LYS A 97 22.599 -6.721 -11.329 1.00 0.00 C ATOM 1607 O LYS A 97 22.875 -7.191 -10.227 1.00 0.00 O ATOM 1608 CB LYS A 97 23.104 -7.663 -13.657 1.00 0.00 C ATOM 1609 CG LYS A 97 24.510 -8.072 -13.213 1.00 0.00 C ATOM 1610 CD LYS A 97 25.422 -8.300 -14.420 1.00 0.00 C ATOM 1611 CE LYS A 97 25.842 -6.971 -15.049 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.277 -6.710 -14.799 1.00 0.00 N ATOM 0 H LYS A 97 20.678 -7.220 -13.912 1.00 0.00 H new ATOM 0 HA LYS A 97 22.120 -8.649 -12.077 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.738 -8.363 -14.408 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.139 -6.680 -14.127 1.00 0.00 H new ATOM 0 HG2 LYS A 97 24.933 -7.297 -12.574 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.456 -8.983 -12.616 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.307 -8.856 -14.111 1.00 0.00 H new ATOM 0 HD3 LYS A 97 24.905 -8.910 -15.161 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.652 -6.994 -16.122 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.242 -6.161 -14.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.546 -5.804 -15.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.449 -6.668 -13.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.846 -7.475 -15.214 1.00 0.00 H new ATOM 1626 N ASN A 98 22.666 -5.433 -11.633 1.00 0.00 N ATOM 1627 CA ASN A 98 23.087 -4.452 -10.648 1.00 0.00 C ATOM 1628 C ASN A 98 22.124 -4.485 -9.459 1.00 0.00 C ATOM 1629 O ASN A 98 22.554 -4.458 -8.307 1.00 0.00 O ATOM 1630 CB ASN A 98 23.065 -3.039 -11.233 1.00 0.00 C ATOM 1631 CG ASN A 98 24.077 -2.136 -10.524 1.00 0.00 C ATOM 1632 OD1 ASN A 98 23.917 -1.764 -9.374 1.00 0.00 O ATOM 1633 ND2 ASN A 98 25.125 -1.806 -11.273 1.00 0.00 N ATOM 0 H ASN A 98 22.436 -5.046 -12.548 1.00 0.00 H new ATOM 0 HA ASN A 98 24.103 -4.699 -10.339 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.292 -3.079 -12.298 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.065 -2.617 -11.136 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.856 -1.207 -10.891 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.197 -2.152 -12.230 1.00 0.00 H new ATOM 1640 N HIS A 99 20.840 -4.544 -9.779 1.00 0.00 N ATOM 1641 CA HIS A 99 19.813 -4.581 -8.752 1.00 0.00 C ATOM 1642 C HIS A 99 20.170 -5.642 -7.708 1.00 0.00 C ATOM 1643 O HIS A 99 19.719 -5.571 -6.566 1.00 0.00 O ATOM 1644 CB HIS A 99 18.432 -4.800 -9.372 1.00 0.00 C ATOM 1645 CG HIS A 99 17.289 -4.637 -8.398 1.00 0.00 C ATOM 1646 ND1 HIS A 99 16.011 -5.112 -8.436 1.00 0.00 N flip ATOM 1647 CD2 HIS A 99 17.401 -3.910 -7.226 1.00 0.00 C flip ATOM 1648 CE1 HIS A 99 15.377 -4.700 -7.345 1.00 0.00 C flip ATOM 1649 NE2 HIS A 99 16.237 -3.955 -6.594 1.00 0.00 N flip ATOM 0 H HIS A 99 20.487 -4.567 -10.736 1.00 0.00 H new ATOM 0 HA HIS A 99 19.769 -3.619 -8.242 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.298 -4.097 -10.194 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.392 -5.802 -9.800 1.00 0.00 H new ATOM 0 HD2 HIS A 99 18.286 -3.394 -6.884 1.00 0.00 H new ATOM 0 HE1 HIS A 99 14.350 -4.919 -7.094 1.00 0.00 H new ATOM 0 HE2 HIS A 99 16.022 -3.510 -5.702 1.00 0.00 H new ATOM 1657 N TRP A 100 20.976 -6.601 -8.138 1.00 0.00 N ATOM 1658 CA TRP A 100 21.398 -7.675 -7.256 1.00 0.00 C ATOM 1659 C TRP A 100 22.324 -7.079 -6.194 1.00 0.00 C ATOM 1660 O TRP A 100 22.103 -7.262 -4.998 1.00 0.00 O ATOM 1661 CB TRP A 100 22.050 -8.811 -8.047 1.00 0.00 C ATOM 1662 CG TRP A 100 21.729 -10.208 -7.510 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.579 -11.214 -7.268 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.424 -10.714 -7.157 1.00 0.00 C ATOM 1665 NE1 TRP A 100 21.922 -12.328 -6.787 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.569 -12.014 -6.717 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.163 -10.094 -7.207 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.494 -12.804 -6.294 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.099 -10.897 -6.781 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.229 -12.207 -6.335 1.00 0.00 C ATOM 0 H TRP A 100 21.348 -6.657 -9.086 1.00 0.00 H new ATOM 0 HA TRP A 100 20.539 -8.123 -6.757 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.726 -8.749 -9.086 1.00 0.00 H new ATOM 0 HB3 TRP A 100 23.131 -8.670 -8.041 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.646 -11.160 -7.429 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.350 -13.218 -6.530 1.00 0.00 H new ATOM 0 HE3 TRP A 100 19.026 -9.078 -7.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.633 -13.820 -5.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.108 -10.469 -6.800 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.357 -12.762 -6.021 1.00 0.00 H new ATOM 1681 N ASN A 101 23.342 -6.377 -6.670 1.00 0.00 N ATOM 1682 CA ASN A 101 24.303 -5.752 -5.776 1.00 0.00 C ATOM 1683 C ASN A 101 23.751 -4.406 -5.301 1.00 0.00 C ATOM 1684 O ASN A 101 24.364 -3.738 -4.470 1.00 0.00 O ATOM 1685 CB ASN A 101 25.631 -5.493 -6.490 1.00 0.00 C ATOM 1686 CG ASN A 101 26.445 -6.782 -6.618 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.943 -7.331 -5.649 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.552 -7.232 -7.865 1.00 0.00 N ATOM 0 H ASN A 101 23.522 -6.227 -7.663 1.00 0.00 H new ATOM 0 HA ASN A 101 24.470 -6.426 -4.936 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.441 -5.079 -7.480 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.206 -4.749 -5.938 1.00 0.00 H new ATOM 0 HD21 ASN A 101 27.076 -8.086 -8.056 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.110 -6.723 -8.631 1.00 0.00 H new ATOM 1695 N SER A 102 22.599 -4.048 -5.850 1.00 0.00 N ATOM 1696 CA SER A 102 21.958 -2.794 -5.494 1.00 0.00 C ATOM 1697 C SER A 102 21.352 -2.896 -4.092 1.00 0.00 C ATOM 1698 O SER A 102 21.916 -2.380 -3.129 1.00 0.00 O ATOM 1699 CB SER A 102 20.880 -2.417 -6.512 1.00 0.00 C ATOM 1700 OG SER A 102 21.409 -2.297 -7.830 1.00 0.00 O ATOM 0 H SER A 102 22.093 -4.605 -6.539 1.00 0.00 H new ATOM 0 HA SER A 102 22.715 -2.009 -5.500 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.094 -3.172 -6.504 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.419 -1.474 -6.219 1.00 0.00 H new ATOM 0 HG SER A 102 22.286 -2.733 -7.872 1.00 0.00 H new ATOM 1706 N THR A 103 20.211 -3.567 -4.024 1.00 0.00 N ATOM 1707 CA THR A 103 19.522 -3.743 -2.756 1.00 0.00 C ATOM 1708 C THR A 103 19.113 -5.206 -2.571 1.00 0.00 C ATOM 1709 O THR A 103 18.628 -5.589 -1.508 1.00 0.00 O ATOM 1710 CB THR A 103 18.341 -2.773 -2.721 1.00 0.00 C ATOM 1711 OG1 THR A 103 18.929 -1.522 -2.372 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.376 -3.065 -1.570 1.00 0.00 C ATOM 0 H THR A 103 19.747 -3.995 -4.825 1.00 0.00 H new ATOM 0 HA THR A 103 20.175 -3.512 -1.915 1.00 0.00 H new ATOM 0 HB THR A 103 17.802 -2.824 -3.667 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.233 -0.834 -2.329 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.556 -2.347 -1.592 1.00 0.00 H new ATOM 0 HG22 THR A 103 16.978 -4.074 -1.676 1.00 0.00 H new ATOM 0 HG23 THR A 103 17.906 -2.982 -0.621 1.00 0.00 H new ATOM 1720 N ILE A 104 19.324 -5.984 -3.623 1.00 0.00 N ATOM 1721 CA ILE A 104 18.983 -7.396 -3.590 1.00 0.00 C ATOM 1722 C ILE A 104 20.250 -8.216 -3.341 1.00 0.00 C ATOM 1723 O ILE A 104 20.397 -9.315 -3.873 1.00 0.00 O ATOM 1724 CB ILE A 104 18.231 -7.795 -4.861 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.395 -6.630 -5.393 1.00 0.00 C ATOM 1726 CG2 ILE A 104 17.385 -9.048 -4.627 1.00 0.00 C ATOM 1727 CD1 ILE A 104 16.074 -6.510 -4.632 1.00 0.00 C ATOM 0 H ILE A 104 19.727 -5.663 -4.503 1.00 0.00 H new ATOM 0 HA ILE A 104 18.301 -7.605 -2.766 1.00 0.00 H new ATOM 0 HB ILE A 104 18.965 -8.041 -5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 104 17.958 -5.701 -5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 104 17.195 -6.776 -6.455 1.00 0.00 H new ATOM 0 HG21 ILE A 104 16.861 -9.310 -5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.032 -9.874 -4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 104 16.659 -8.854 -3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.499 -5.674 -5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.503 -7.431 -4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.277 -6.339 -3.575 1.00 0.00 H new ATOM 1739 N LYS A 105 21.133 -7.651 -2.531 1.00 0.00 N ATOM 1740 CA LYS A 105 22.383 -8.316 -2.205 1.00 0.00 C ATOM 1741 C LYS A 105 22.464 -8.527 -0.692 1.00 0.00 C ATOM 1742 O LYS A 105 23.527 -8.362 -0.095 1.00 0.00 O ATOM 1743 CB LYS A 105 23.569 -7.541 -2.782 1.00 0.00 C ATOM 1744 CG LYS A 105 23.281 -6.038 -2.810 1.00 0.00 C ATOM 1745 CD LYS A 105 23.013 -5.506 -1.401 1.00 0.00 C ATOM 1746 CE LYS A 105 23.845 -4.253 -1.121 1.00 0.00 C ATOM 1747 NZ LYS A 105 23.332 -3.546 0.074 1.00 0.00 N ATOM 0 H LYS A 105 21.007 -6.740 -2.091 1.00 0.00 H new ATOM 0 HA LYS A 105 22.421 -9.302 -2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 105 24.459 -7.733 -2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 105 23.782 -7.893 -3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 105 24.128 -5.510 -3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.419 -5.841 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 105 21.953 -5.275 -1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 105 23.250 -6.276 -0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.888 -4.529 -0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 105 23.815 -3.589 -1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 23.908 -2.698 0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 22.343 -3.266 -0.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 23.384 -4.177 0.899 1.00 0.00 H new