USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 750 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 62 TYR OH : rot -57:sc= 0.092 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 57 ASN : amide:sc= -0.421 K(o=-3.7,f=-5.5!) USER MOD Set 2.2: A 60 MET CE :methyl 145:sc= -3.24! (180deg=-7.82!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.6! C(o=-1.6!,f=-15!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -120:sc= -2.26! (180deg=-2.81!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 55 LYS NZ :NH3+ -119:sc= -0.0112 (180deg=-0.144) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -81:sc= 0.562 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 110:sc= 0.0265 USER MOD Single : A 73 TYR OH : rot 93:sc= 0.56 USER MOD Single : A 74 LYS NZ :NH3+ -156:sc= -0.0701 (180deg=-0.438) USER MOD Single : A 75 THR OG1 : rot -26:sc= -0.0437 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -1.77 X(o=-1.8,f=-2.2) USER MOD Single : A 94 HIS : no HE2:sc= -1.21 K(o=-1.2,f=-2.9!) USER MOD Single : A 97 GLN : amide:sc= -0.722 K(o=-0.72,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 11 25.445 -10.574 -0.765 1.00 0.00 N ATOM 106 CA LEU A 11 25.843 -11.493 -1.826 1.00 0.00 C ATOM 107 C LEU A 11 25.016 -12.774 -1.775 1.00 0.00 C ATOM 108 O LEU A 11 24.363 -13.142 -2.751 1.00 0.00 O ATOM 109 CB LEU A 11 27.331 -11.827 -1.708 1.00 0.00 C ATOM 110 CG LEU A 11 27.839 -12.954 -2.608 1.00 0.00 C ATOM 111 CD1 LEU A 11 27.610 -12.611 -4.072 1.00 0.00 C ATOM 112 CD2 LEU A 11 29.314 -13.221 -2.346 1.00 0.00 C ATOM 0 HA LEU A 11 25.663 -11.004 -2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 11 27.904 -10.926 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 11 27.542 -12.093 -0.672 1.00 0.00 H new ATOM 0 HG LEU A 11 27.279 -13.860 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 11 27.978 -13.424 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 11 26.544 -12.469 -4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 11 28.144 -11.693 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 11 29.659 -14.026 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 11 29.889 -12.318 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 11 29.452 -13.511 -1.304 1.00 0.00 H new ATOM 124 N TRP A 12 25.048 -13.447 -0.631 1.00 0.00 N ATOM 125 CA TRP A 12 24.300 -14.686 -0.452 1.00 0.00 C ATOM 126 C TRP A 12 22.924 -14.590 -1.100 1.00 0.00 C ATOM 127 O TRP A 12 22.406 -15.574 -1.626 1.00 0.00 O ATOM 128 CB TRP A 12 24.155 -15.007 1.037 1.00 0.00 C ATOM 129 CG TRP A 12 23.123 -14.168 1.728 1.00 0.00 C ATOM 130 CD1 TRP A 12 23.339 -13.016 2.428 1.00 0.00 C ATOM 131 CD2 TRP A 12 21.714 -14.417 1.785 1.00 0.00 C ATOM 132 NE1 TRP A 12 22.149 -12.533 2.918 1.00 0.00 N ATOM 133 CE2 TRP A 12 21.137 -13.375 2.537 1.00 0.00 C ATOM 134 CE3 TRP A 12 20.884 -15.418 1.274 1.00 0.00 C ATOM 135 CZ2 TRP A 12 19.769 -13.308 2.788 1.00 0.00 C ATOM 136 CZ3 TRP A 12 19.527 -15.350 1.525 1.00 0.00 C ATOM 137 CH2 TRP A 12 18.980 -14.301 2.276 1.00 0.00 C ATOM 0 H TRP A 12 25.584 -13.156 0.187 1.00 0.00 H new ATOM 0 HA TRP A 12 24.854 -15.489 -0.938 1.00 0.00 H new ATOM 0 HB2 TRP A 12 23.893 -16.059 1.151 1.00 0.00 H new ATOM 0 HB3 TRP A 12 25.118 -14.863 1.528 1.00 0.00 H new ATOM 0 HD1 TRP A 12 24.303 -12.552 2.575 1.00 0.00 H new ATOM 0 HE1 TRP A 12 22.037 -11.686 3.475 1.00 0.00 H new ATOM 0 HE3 TRP A 12 21.296 -16.230 0.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 19.346 -12.500 3.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 18.876 -16.119 1.135 1.00 0.00 H new ATOM 0 HH2 TRP A 12 17.915 -14.276 2.454 1.00 0.00 H new ATOM 148 N GLU A 13 22.337 -13.397 -1.060 1.00 0.00 N ATOM 149 CA GLU A 13 21.020 -13.175 -1.644 1.00 0.00 C ATOM 150 C GLU A 13 21.104 -13.112 -3.167 1.00 0.00 C ATOM 151 O GLU A 13 20.267 -13.679 -3.869 1.00 0.00 O ATOM 152 CB GLU A 13 20.410 -11.880 -1.103 1.00 0.00 C ATOM 153 CG GLU A 13 19.369 -12.105 -0.018 1.00 0.00 C ATOM 154 CD GLU A 13 18.028 -11.486 -0.359 1.00 0.00 C ATOM 155 OE1 GLU A 13 17.268 -12.105 -1.133 1.00 0.00 O ATOM 156 OE2 GLU A 13 17.738 -10.382 0.148 1.00 0.00 O ATOM 0 H GLU A 13 22.753 -12.571 -0.630 1.00 0.00 H new ATOM 0 HA GLU A 13 20.381 -14.014 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.207 -11.251 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.952 -11.332 -1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 13 19.241 -13.176 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 13 19.731 -11.685 0.920 1.00 0.00 H new ATOM 163 N PHE A 14 22.120 -12.419 -3.670 1.00 0.00 N ATOM 164 CA PHE A 14 22.313 -12.280 -5.108 1.00 0.00 C ATOM 165 C PHE A 14 22.552 -13.640 -5.759 1.00 0.00 C ATOM 166 O PHE A 14 21.855 -14.021 -6.700 1.00 0.00 O ATOM 167 CB PHE A 14 23.492 -11.349 -5.399 1.00 0.00 C ATOM 168 CG PHE A 14 24.178 -11.639 -6.703 1.00 0.00 C ATOM 169 CD1 PHE A 14 25.221 -12.548 -6.766 1.00 0.00 C ATOM 170 CD2 PHE A 14 23.779 -11.002 -7.867 1.00 0.00 C ATOM 171 CE1 PHE A 14 25.854 -12.818 -7.965 1.00 0.00 C ATOM 172 CE2 PHE A 14 24.407 -11.268 -9.069 1.00 0.00 C ATOM 173 CZ PHE A 14 25.447 -12.176 -9.118 1.00 0.00 C ATOM 0 H PHE A 14 22.823 -11.945 -3.103 1.00 0.00 H new ATOM 0 HA PHE A 14 21.406 -11.849 -5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 14 23.137 -10.318 -5.406 1.00 0.00 H new ATOM 0 HB3 PHE A 14 24.218 -11.431 -4.590 1.00 0.00 H new ATOM 0 HD1 PHE A 14 25.544 -13.052 -5.867 1.00 0.00 H new ATOM 0 HD2 PHE A 14 22.968 -10.290 -7.835 1.00 0.00 H new ATOM 0 HE1 PHE A 14 26.665 -13.530 -8.000 1.00 0.00 H new ATOM 0 HE2 PHE A 14 24.085 -10.766 -9.970 1.00 0.00 H new ATOM 0 HZ PHE A 14 25.941 -12.383 -10.056 1.00 0.00 H new ATOM 183 N VAL A 15 23.541 -14.367 -5.250 1.00 0.00 N ATOM 184 CA VAL A 15 23.873 -15.684 -5.780 1.00 0.00 C ATOM 185 C VAL A 15 22.688 -16.636 -5.665 1.00 0.00 C ATOM 186 O VAL A 15 22.507 -17.522 -6.502 1.00 0.00 O ATOM 187 CB VAL A 15 25.082 -16.296 -5.047 1.00 0.00 C ATOM 188 CG1 VAL A 15 24.826 -16.352 -3.549 1.00 0.00 C ATOM 189 CG2 VAL A 15 25.391 -17.681 -5.596 1.00 0.00 C ATOM 0 H VAL A 15 24.127 -14.066 -4.471 1.00 0.00 H new ATOM 0 HA VAL A 15 24.126 -15.548 -6.831 1.00 0.00 H new ATOM 0 HB VAL A 15 25.950 -15.660 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 15 25.691 -16.787 -3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 15 24.657 -15.344 -3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.947 -16.965 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 15 26.248 -18.099 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 15 24.526 -18.329 -5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 15 25.621 -17.608 -6.659 1.00 0.00 H new ATOM 199 N ARG A 16 21.883 -16.448 -4.625 1.00 0.00 N ATOM 200 CA ARG A 16 20.715 -17.291 -4.400 1.00 0.00 C ATOM 201 C ARG A 16 19.617 -16.980 -5.413 1.00 0.00 C ATOM 202 O ARG A 16 19.000 -17.886 -5.973 1.00 0.00 O ATOM 203 CB ARG A 16 20.183 -17.094 -2.979 1.00 0.00 C ATOM 204 CG ARG A 16 18.889 -17.844 -2.704 1.00 0.00 C ATOM 205 CD ARG A 16 17.867 -16.954 -2.015 1.00 0.00 C ATOM 206 NE ARG A 16 17.334 -15.934 -2.914 1.00 0.00 N ATOM 207 CZ ARG A 16 16.165 -15.330 -2.729 1.00 0.00 C ATOM 208 NH1 ARG A 16 15.412 -15.641 -1.684 1.00 0.00 N ATOM 209 NH2 ARG A 16 15.748 -14.412 -3.592 1.00 0.00 N ATOM 0 H ARG A 16 22.018 -15.719 -3.924 1.00 0.00 H new ATOM 0 HA ARG A 16 21.019 -18.330 -4.526 1.00 0.00 H new ATOM 0 HB2 ARG A 16 20.941 -17.421 -2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.021 -16.030 -2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 16 18.476 -18.216 -3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 16 19.096 -18.713 -2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 16 17.049 -17.567 -1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.329 -16.472 -1.153 1.00 0.00 H new ATOM 0 HE ARG A 16 17.889 -15.671 -3.728 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.729 -16.346 -1.019 1.00 0.00 H new ATOM 0 HH12 ARG A 16 14.515 -15.175 -1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.325 -14.170 -4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.851 -13.949 -3.450 1.00 0.00 H new ATOM 223 N ASP A 17 19.378 -15.693 -5.643 1.00 0.00 N ATOM 224 CA ASP A 17 18.356 -15.262 -6.589 1.00 0.00 C ATOM 225 C ASP A 17 18.606 -15.860 -7.970 1.00 0.00 C ATOM 226 O ASP A 17 17.669 -16.098 -8.734 1.00 0.00 O ATOM 227 CB ASP A 17 18.324 -13.736 -6.679 1.00 0.00 C ATOM 228 CG ASP A 17 16.921 -13.196 -6.871 1.00 0.00 C ATOM 229 OD1 ASP A 17 16.184 -13.745 -7.717 1.00 0.00 O ATOM 230 OD2 ASP A 17 16.559 -12.224 -6.176 1.00 0.00 O ATOM 0 H ASP A 17 19.879 -14.930 -5.187 1.00 0.00 H new ATOM 0 HA ASP A 17 17.391 -15.617 -6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.752 -13.312 -5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.952 -13.411 -7.509 1.00 0.00 H new ATOM 235 N LEU A 18 19.874 -16.100 -8.284 1.00 0.00 N ATOM 236 CA LEU A 18 20.248 -16.669 -9.574 1.00 0.00 C ATOM 237 C LEU A 18 19.715 -18.091 -9.717 1.00 0.00 C ATOM 238 O LEU A 18 19.255 -18.489 -10.788 1.00 0.00 O ATOM 239 CB LEU A 18 21.769 -16.664 -9.734 1.00 0.00 C ATOM 240 CG LEU A 18 22.387 -15.359 -10.236 1.00 0.00 C ATOM 241 CD1 LEU A 18 23.853 -15.274 -9.839 1.00 0.00 C ATOM 242 CD2 LEU A 18 22.234 -15.242 -11.746 1.00 0.00 C ATOM 0 H LEU A 18 20.661 -15.910 -7.663 1.00 0.00 H new ATOM 0 HA LEU A 18 19.804 -16.054 -10.357 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.216 -16.907 -8.770 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.044 -17.462 -10.424 1.00 0.00 H new ATOM 0 HG LEU A 18 21.857 -14.527 -9.771 1.00 0.00 H new ATOM 0 HD11 LEU A 18 24.275 -14.338 -10.205 1.00 0.00 H new ATOM 0 HD12 LEU A 18 23.939 -15.310 -8.753 1.00 0.00 H new ATOM 0 HD13 LEU A 18 24.397 -16.112 -10.274 1.00 0.00 H new ATOM 0 HD21 LEU A 18 22.680 -14.307 -12.085 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.737 -16.080 -12.229 1.00 0.00 H new ATOM 0 HD23 LEU A 18 21.176 -15.255 -12.007 1.00 0.00 H new ATOM 254 N LEU A 19 19.778 -18.853 -8.630 1.00 0.00 N ATOM 255 CA LEU A 19 19.299 -20.231 -8.633 1.00 0.00 C ATOM 256 C LEU A 19 17.789 -20.282 -8.842 1.00 0.00 C ATOM 257 O LEU A 19 17.271 -21.198 -9.482 1.00 0.00 O ATOM 258 CB LEU A 19 19.667 -20.922 -7.319 1.00 0.00 C ATOM 259 CG LEU A 19 21.131 -21.337 -7.166 1.00 0.00 C ATOM 260 CD1 LEU A 19 21.583 -21.177 -5.723 1.00 0.00 C ATOM 261 CD2 LEU A 19 21.331 -22.771 -7.634 1.00 0.00 C ATOM 0 H LEU A 19 20.156 -18.540 -7.736 1.00 0.00 H new ATOM 0 HA LEU A 19 19.779 -20.755 -9.459 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.412 -20.254 -6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 19 19.045 -21.811 -7.213 1.00 0.00 H new ATOM 0 HG LEU A 19 21.741 -20.684 -7.791 1.00 0.00 H new ATOM 0 HD11 LEU A 19 22.627 -21.477 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.478 -20.135 -5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.968 -21.805 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 19 22.379 -23.049 -7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 19 20.710 -23.439 -7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 19 21.048 -22.854 -8.683 1.00 0.00 H new ATOM 273 N LEU A 20 17.088 -19.292 -8.300 1.00 0.00 N ATOM 274 CA LEU A 20 15.637 -19.223 -8.429 1.00 0.00 C ATOM 275 C LEU A 20 15.238 -18.510 -9.717 1.00 0.00 C ATOM 276 O LEU A 20 14.084 -18.572 -10.141 1.00 0.00 O ATOM 277 CB LEU A 20 15.032 -18.500 -7.224 1.00 0.00 C ATOM 278 CG LEU A 20 15.717 -18.747 -5.880 1.00 0.00 C ATOM 279 CD1 LEU A 20 14.992 -18.007 -4.767 1.00 0.00 C ATOM 280 CD2 LEU A 20 15.779 -20.238 -5.579 1.00 0.00 C ATOM 0 H LEU A 20 17.501 -18.526 -7.767 1.00 0.00 H new ATOM 0 HA LEU A 20 15.251 -20.242 -8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 20 15.045 -17.429 -7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.986 -18.795 -7.136 1.00 0.00 H new ATOM 0 HG LEU A 20 16.736 -18.365 -5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.494 -18.195 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.000 -16.937 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.962 -18.358 -4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.270 -20.395 -4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.768 -20.644 -5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.344 -20.744 -6.362 1.00 0.00 H new ATOM 292 N SER A 21 16.201 -17.834 -10.336 1.00 0.00 N ATOM 293 CA SER A 21 15.950 -17.107 -11.575 1.00 0.00 C ATOM 294 C SER A 21 16.774 -17.687 -12.721 1.00 0.00 C ATOM 295 O SER A 21 17.830 -17.168 -13.084 1.00 0.00 O ATOM 296 CB SER A 21 16.276 -15.624 -11.396 1.00 0.00 C ATOM 297 OG SER A 21 15.215 -14.942 -10.751 1.00 0.00 O ATOM 0 H SER A 21 17.162 -17.775 -10.000 1.00 0.00 H new ATOM 0 HA SER A 21 14.893 -17.211 -11.821 1.00 0.00 H new ATOM 0 HB2 SER A 21 17.190 -15.518 -10.811 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.466 -15.170 -12.369 1.00 0.00 H new ATOM 0 HG SER A 21 15.449 -13.996 -10.647 1.00 0.00 H new ATOM 303 N PRO A 22 16.280 -18.789 -13.305 1.00 0.00 N ATOM 304 CA PRO A 22 16.954 -19.464 -14.419 1.00 0.00 C ATOM 305 C PRO A 22 16.911 -18.645 -15.704 1.00 0.00 C ATOM 306 O PRO A 22 17.514 -19.019 -16.709 1.00 0.00 O ATOM 307 CB PRO A 22 16.156 -20.760 -14.583 1.00 0.00 C ATOM 308 CG PRO A 22 14.805 -20.444 -14.039 1.00 0.00 C ATOM 309 CD PRO A 22 15.027 -19.461 -12.923 1.00 0.00 C ATOM 0 HA PRO A 22 18.014 -19.622 -14.219 1.00 0.00 H new ATOM 0 HB2 PRO A 22 16.101 -21.061 -15.629 1.00 0.00 H new ATOM 0 HB3 PRO A 22 16.620 -21.582 -14.038 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.163 -20.019 -14.811 1.00 0.00 H new ATOM 0 HG3 PRO A 22 14.311 -21.344 -13.673 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.201 -18.754 -12.840 1.00 0.00 H new ATOM 0 HD3 PRO A 22 15.117 -19.961 -11.959 1.00 0.00 H new ATOM 317 N GLU A 23 16.194 -17.526 -15.664 1.00 0.00 N ATOM 318 CA GLU A 23 16.072 -16.655 -16.827 1.00 0.00 C ATOM 319 C GLU A 23 17.268 -15.711 -16.927 1.00 0.00 C ATOM 320 O GLU A 23 17.641 -15.280 -18.017 1.00 0.00 O ATOM 321 CB GLU A 23 14.775 -15.846 -16.753 1.00 0.00 C ATOM 322 CG GLU A 23 13.675 -16.377 -17.657 1.00 0.00 C ATOM 323 CD GLU A 23 12.415 -15.537 -17.597 1.00 0.00 C ATOM 324 OE1 GLU A 23 12.531 -14.297 -17.501 1.00 0.00 O ATOM 325 OE2 GLU A 23 11.311 -16.119 -17.647 1.00 0.00 O ATOM 0 H GLU A 23 15.689 -17.202 -14.839 1.00 0.00 H new ATOM 0 HA GLU A 23 16.050 -17.282 -17.718 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.417 -15.842 -15.723 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.986 -14.811 -17.021 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.038 -16.408 -18.684 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.438 -17.402 -17.371 1.00 0.00 H new ATOM 332 N GLU A 24 17.862 -15.395 -15.781 1.00 0.00 N ATOM 333 CA GLU A 24 19.014 -14.501 -15.739 1.00 0.00 C ATOM 334 C GLU A 24 20.311 -15.292 -15.598 1.00 0.00 C ATOM 335 O GLU A 24 21.318 -14.971 -16.228 1.00 0.00 O ATOM 336 CB GLU A 24 18.878 -13.512 -14.580 1.00 0.00 C ATOM 337 CG GLU A 24 18.371 -12.144 -15.004 1.00 0.00 C ATOM 338 CD GLU A 24 19.416 -11.057 -14.838 1.00 0.00 C ATOM 339 OE1 GLU A 24 20.217 -10.858 -15.775 1.00 0.00 O ATOM 340 OE2 GLU A 24 19.432 -10.407 -13.772 1.00 0.00 O ATOM 0 H GLU A 24 17.565 -15.744 -14.870 1.00 0.00 H new ATOM 0 HA GLU A 24 19.047 -13.947 -16.677 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.198 -13.928 -13.836 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.848 -13.397 -14.096 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.057 -12.184 -16.047 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.490 -11.889 -14.415 1.00 0.00 H new ATOM 347 N ASN A 25 20.278 -16.328 -14.766 1.00 0.00 N ATOM 348 CA ASN A 25 21.451 -17.165 -14.541 1.00 0.00 C ATOM 349 C ASN A 25 21.715 -18.067 -15.742 1.00 0.00 C ATOM 350 O ASN A 25 20.807 -18.731 -16.244 1.00 0.00 O ATOM 351 CB ASN A 25 21.263 -18.015 -13.282 1.00 0.00 C ATOM 352 CG ASN A 25 22.260 -19.155 -13.200 1.00 0.00 C ATOM 353 OD1 ASN A 25 23.290 -19.143 -13.873 1.00 0.00 O ATOM 354 ND2 ASN A 25 21.956 -20.148 -12.372 1.00 0.00 N ATOM 0 H ASN A 25 19.452 -16.608 -14.237 1.00 0.00 H new ATOM 0 HA ASN A 25 22.312 -16.511 -14.405 1.00 0.00 H new ATOM 0 HB2 ASN A 25 21.366 -17.382 -12.401 1.00 0.00 H new ATOM 0 HB3 ASN A 25 20.251 -18.419 -13.268 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.588 -20.943 -12.275 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.090 -20.116 -11.833 1.00 0.00 H new ATOM 361 N CYS A 26 22.963 -18.086 -16.198 1.00 0.00 N ATOM 362 CA CYS A 26 23.347 -18.906 -17.342 1.00 0.00 C ATOM 363 C CYS A 26 24.360 -19.970 -16.932 1.00 0.00 C ATOM 364 O CYS A 26 25.568 -19.771 -17.054 1.00 0.00 O ATOM 365 CB CYS A 26 23.930 -18.030 -18.451 1.00 0.00 C ATOM 366 SG CYS A 26 23.667 -18.679 -20.119 1.00 0.00 S ATOM 0 H CYS A 26 23.726 -17.543 -15.793 1.00 0.00 H new ATOM 0 HA CYS A 26 22.453 -19.406 -17.716 1.00 0.00 H new ATOM 0 HB2 CYS A 26 23.487 -17.036 -18.385 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.001 -17.914 -18.283 1.00 0.00 H new ATOM 0 HG CYS A 26 24.193 -17.868 -20.988 1.00 0.00 H new ATOM 372 N GLY A 27 23.859 -21.100 -16.443 1.00 0.00 N ATOM 373 CA GLY A 27 24.734 -22.178 -16.021 1.00 0.00 C ATOM 374 C GLY A 27 25.851 -21.697 -15.116 1.00 0.00 C ATOM 375 O GLY A 27 27.008 -22.083 -15.288 1.00 0.00 O ATOM 0 H GLY A 27 22.863 -21.288 -16.332 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.148 -22.934 -15.499 1.00 0.00 H new ATOM 0 HA3 GLY A 27 25.164 -22.658 -16.900 1.00 0.00 H new ATOM 379 N ILE A 28 25.505 -20.852 -14.150 1.00 0.00 N ATOM 380 CA ILE A 28 26.488 -20.318 -13.216 1.00 0.00 C ATOM 381 C ILE A 28 26.476 -21.093 -11.902 1.00 0.00 C ATOM 382 O ILE A 28 27.480 -21.145 -11.190 1.00 0.00 O ATOM 383 CB ILE A 28 26.234 -18.828 -12.922 1.00 0.00 C ATOM 384 CG1 ILE A 28 26.128 -18.039 -14.229 1.00 0.00 C ATOM 385 CG2 ILE A 28 27.341 -18.264 -12.045 1.00 0.00 C ATOM 386 CD1 ILE A 28 25.814 -16.573 -14.026 1.00 0.00 C ATOM 0 H ILE A 28 24.552 -20.523 -13.994 1.00 0.00 H new ATOM 0 HA ILE A 28 27.464 -20.425 -13.690 1.00 0.00 H new ATOM 0 HB ILE A 28 25.290 -18.735 -12.385 1.00 0.00 H new ATOM 0 HG12 ILE A 28 27.067 -18.129 -14.775 1.00 0.00 H new ATOM 0 HG13 ILE A 28 25.353 -18.486 -14.852 1.00 0.00 H new ATOM 0 HG21 ILE A 28 27.147 -17.210 -11.846 1.00 0.00 H new ATOM 0 HG22 ILE A 28 27.373 -18.811 -11.103 1.00 0.00 H new ATOM 0 HG23 ILE A 28 28.298 -18.366 -12.556 1.00 0.00 H new ATOM 0 HD11 ILE A 28 25.754 -16.076 -14.994 1.00 0.00 H new ATOM 0 HD12 ILE A 28 24.861 -16.474 -13.507 1.00 0.00 H new ATOM 0 HD13 ILE A 28 26.601 -16.111 -13.430 1.00 0.00 H new ATOM 398 N LEU A 29 25.334 -21.695 -11.588 1.00 0.00 N ATOM 399 CA LEU A 29 25.191 -22.469 -10.360 1.00 0.00 C ATOM 400 C LEU A 29 24.366 -23.729 -10.604 1.00 0.00 C ATOM 401 O LEU A 29 23.742 -23.879 -11.654 1.00 0.00 O ATOM 402 CB LEU A 29 24.534 -21.619 -9.271 1.00 0.00 C ATOM 403 CG LEU A 29 25.182 -20.261 -8.998 1.00 0.00 C ATOM 404 CD1 LEU A 29 24.154 -19.278 -8.461 1.00 0.00 C ATOM 405 CD2 LEU A 29 26.341 -20.410 -8.023 1.00 0.00 C ATOM 0 H LEU A 29 24.494 -21.662 -12.166 1.00 0.00 H new ATOM 0 HA LEU A 29 26.186 -22.766 -10.029 1.00 0.00 H new ATOM 0 HB2 LEU A 29 23.492 -21.453 -9.546 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.532 -22.191 -8.343 1.00 0.00 H new ATOM 0 HG LEU A 29 25.572 -19.870 -9.938 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.633 -18.317 -8.273 1.00 0.00 H new ATOM 0 HD12 LEU A 29 23.357 -19.149 -9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.734 -19.662 -7.532 1.00 0.00 H new ATOM 0 HD21 LEU A 29 26.790 -19.434 -7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.975 -20.823 -7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 29 27.089 -21.080 -8.447 1.00 0.00 H new ATOM 417 N GLU A 30 24.367 -24.630 -9.627 1.00 0.00 N ATOM 418 CA GLU A 30 23.618 -25.876 -9.736 1.00 0.00 C ATOM 419 C GLU A 30 22.970 -26.240 -8.403 1.00 0.00 C ATOM 420 O GLU A 30 23.517 -25.956 -7.338 1.00 0.00 O ATOM 421 CB GLU A 30 24.535 -27.010 -10.197 1.00 0.00 C ATOM 422 CG GLU A 30 24.475 -27.272 -11.693 1.00 0.00 C ATOM 423 CD GLU A 30 24.370 -28.748 -12.023 1.00 0.00 C ATOM 424 OE1 GLU A 30 25.249 -29.519 -11.584 1.00 0.00 O ATOM 425 OE2 GLU A 30 23.409 -29.132 -12.722 1.00 0.00 O ATOM 0 H GLU A 30 24.878 -24.520 -8.751 1.00 0.00 H new ATOM 0 HA GLU A 30 22.830 -25.733 -10.476 1.00 0.00 H new ATOM 0 HB2 GLU A 30 25.562 -26.771 -9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 30 24.265 -27.923 -9.666 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.618 -26.747 -12.116 1.00 0.00 H new ATOM 0 HG3 GLU A 30 25.366 -26.860 -12.166 1.00 0.00 H new ATOM 432 N TRP A 31 21.803 -26.870 -8.472 1.00 0.00 N ATOM 433 CA TRP A 31 21.081 -27.273 -7.271 1.00 0.00 C ATOM 434 C TRP A 31 21.426 -28.707 -6.883 1.00 0.00 C ATOM 435 O TRP A 31 20.870 -29.658 -7.431 1.00 0.00 O ATOM 436 CB TRP A 31 19.573 -27.140 -7.489 1.00 0.00 C ATOM 437 CG TRP A 31 19.031 -25.801 -7.088 1.00 0.00 C ATOM 438 CD1 TRP A 31 18.335 -24.929 -7.877 1.00 0.00 C ATOM 439 CD2 TRP A 31 19.141 -25.182 -5.802 1.00 0.00 C ATOM 440 NE1 TRP A 31 18.007 -23.805 -7.158 1.00 0.00 N ATOM 441 CE2 TRP A 31 18.489 -23.935 -5.883 1.00 0.00 C ATOM 442 CE3 TRP A 31 19.726 -25.559 -4.590 1.00 0.00 C ATOM 443 CZ2 TRP A 31 18.408 -23.067 -4.798 1.00 0.00 C ATOM 444 CZ3 TRP A 31 19.645 -24.695 -3.515 1.00 0.00 C ATOM 445 CH2 TRP A 31 18.989 -23.462 -3.623 1.00 0.00 C ATOM 0 H TRP A 31 21.337 -27.113 -9.346 1.00 0.00 H new ATOM 0 HA TRP A 31 21.383 -26.614 -6.457 1.00 0.00 H new ATOM 0 HB2 TRP A 31 19.348 -27.315 -8.541 1.00 0.00 H new ATOM 0 HB3 TRP A 31 19.061 -27.916 -6.921 1.00 0.00 H new ATOM 0 HD1 TRP A 31 18.080 -25.098 -8.913 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.488 -23.003 -7.516 1.00 0.00 H new ATOM 0 HE3 TRP A 31 20.232 -26.508 -4.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 17.904 -22.115 -4.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 20.096 -24.975 -2.574 1.00 0.00 H new ATOM 0 HH2 TRP A 31 18.941 -22.811 -2.763 1.00 0.00 H new ATOM 456 N GLU A 32 22.346 -28.854 -5.934 1.00 0.00 N ATOM 457 CA GLU A 32 22.764 -30.173 -5.475 1.00 0.00 C ATOM 458 C GLU A 32 21.752 -30.753 -4.491 1.00 0.00 C ATOM 459 O GLU A 32 21.600 -31.970 -4.386 1.00 0.00 O ATOM 460 CB GLU A 32 24.144 -30.094 -4.818 1.00 0.00 C ATOM 461 CG GLU A 32 25.284 -29.945 -5.811 1.00 0.00 C ATOM 462 CD GLU A 32 25.391 -31.125 -6.757 1.00 0.00 C ATOM 463 OE1 GLU A 32 25.945 -32.166 -6.345 1.00 0.00 O ATOM 464 OE2 GLU A 32 24.922 -31.008 -7.908 1.00 0.00 O ATOM 0 H GLU A 32 22.815 -28.077 -5.469 1.00 0.00 H new ATOM 0 HA GLU A 32 22.819 -30.831 -6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.161 -29.250 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.306 -30.993 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.140 -29.032 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 32 26.222 -29.834 -5.267 1.00 0.00 H new ATOM 471 N ASP A 33 21.064 -29.873 -3.772 1.00 0.00 N ATOM 472 CA ASP A 33 20.066 -30.296 -2.797 1.00 0.00 C ATOM 473 C ASP A 33 19.152 -29.135 -2.416 1.00 0.00 C ATOM 474 O ASP A 33 19.534 -28.259 -1.640 1.00 0.00 O ATOM 475 CB ASP A 33 20.748 -30.855 -1.547 1.00 0.00 C ATOM 476 CG ASP A 33 20.747 -32.371 -1.517 1.00 0.00 C ATOM 477 OD1 ASP A 33 19.669 -32.967 -1.718 1.00 0.00 O ATOM 478 OD2 ASP A 33 21.825 -32.960 -1.291 1.00 0.00 O ATOM 0 H ASP A 33 21.179 -28.862 -3.846 1.00 0.00 H new ATOM 0 HA ASP A 33 19.459 -31.079 -3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 33 21.776 -30.494 -1.505 1.00 0.00 H new ATOM 0 HB3 ASP A 33 20.241 -30.476 -0.660 1.00 0.00 H new ATOM 483 N ARG A 34 17.943 -29.135 -2.969 1.00 0.00 N ATOM 484 CA ARG A 34 16.975 -28.081 -2.689 1.00 0.00 C ATOM 485 C ARG A 34 16.498 -28.151 -1.241 1.00 0.00 C ATOM 486 O ARG A 34 16.310 -27.124 -0.590 1.00 0.00 O ATOM 487 CB ARG A 34 15.780 -28.192 -3.637 1.00 0.00 C ATOM 488 CG ARG A 34 15.147 -26.852 -3.979 1.00 0.00 C ATOM 489 CD ARG A 34 15.944 -26.116 -5.045 1.00 0.00 C ATOM 490 NE ARG A 34 15.256 -26.105 -6.333 1.00 0.00 N ATOM 491 CZ ARG A 34 14.205 -25.337 -6.597 1.00 0.00 C ATOM 492 NH1 ARG A 34 13.724 -24.522 -5.669 1.00 0.00 N ATOM 493 NH2 ARG A 34 13.632 -25.383 -7.794 1.00 0.00 N ATOM 0 H ARG A 34 17.611 -29.853 -3.613 1.00 0.00 H new ATOM 0 HA ARG A 34 17.466 -27.121 -2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 34 16.102 -28.678 -4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 34 15.026 -28.835 -3.184 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.127 -27.009 -4.329 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.085 -26.238 -3.081 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.123 -25.091 -4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.919 -26.589 -5.159 1.00 0.00 H new ATOM 0 HE ARG A 34 15.601 -26.720 -7.070 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.161 -24.483 -4.748 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.917 -23.934 -5.876 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.999 -26.008 -8.511 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.825 -24.793 -7.996 1.00 0.00 H new ATOM 507 N GLU A 35 16.304 -29.369 -0.746 1.00 0.00 N ATOM 508 CA GLU A 35 15.847 -29.572 0.624 1.00 0.00 C ATOM 509 C GLU A 35 16.833 -28.972 1.621 1.00 0.00 C ATOM 510 O GLU A 35 16.449 -28.207 2.505 1.00 0.00 O ATOM 511 CB GLU A 35 15.663 -31.065 0.908 1.00 0.00 C ATOM 512 CG GLU A 35 14.395 -31.647 0.306 1.00 0.00 C ATOM 513 CD GLU A 35 14.492 -33.142 0.073 1.00 0.00 C ATOM 514 OE1 GLU A 35 15.568 -33.607 -0.357 1.00 0.00 O ATOM 515 OE2 GLU A 35 13.492 -33.847 0.322 1.00 0.00 O ATOM 0 H GLU A 35 16.456 -30.229 -1.272 1.00 0.00 H new ATOM 0 HA GLU A 35 14.888 -29.066 0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 35 16.523 -31.609 0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 35 15.648 -31.222 1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.555 -31.440 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.185 -31.149 -0.640 1.00 0.00 H new ATOM 522 N GLN A 36 18.106 -29.325 1.471 1.00 0.00 N ATOM 523 CA GLN A 36 19.147 -28.822 2.360 1.00 0.00 C ATOM 524 C GLN A 36 19.539 -27.396 1.986 1.00 0.00 C ATOM 525 O GLN A 36 19.901 -26.595 2.847 1.00 0.00 O ATOM 526 CB GLN A 36 20.375 -29.732 2.307 1.00 0.00 C ATOM 527 CG GLN A 36 20.036 -31.214 2.326 1.00 0.00 C ATOM 528 CD GLN A 36 21.054 -32.036 3.091 1.00 0.00 C ATOM 529 OE1 GLN A 36 21.905 -32.700 2.498 1.00 0.00 O ATOM 530 NE2 GLN A 36 20.973 -31.995 4.416 1.00 0.00 N ATOM 0 H GLN A 36 18.441 -29.956 0.743 1.00 0.00 H new ATOM 0 HA GLN A 36 18.752 -28.816 3.376 1.00 0.00 H new ATOM 0 HB2 GLN A 36 20.943 -29.509 1.404 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.022 -29.505 3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 36 19.052 -31.352 2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 36 19.974 -31.582 1.302 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.252 -31.431 4.866 1.00 0.00 H new ATOM 0 HE22 GLN A 36 21.632 -32.527 4.984 1.00 0.00 H new ATOM 539 N GLY A 37 19.466 -27.087 0.695 1.00 0.00 N ATOM 540 CA GLY A 37 19.817 -25.757 0.230 1.00 0.00 C ATOM 541 C GLY A 37 21.248 -25.675 -0.264 1.00 0.00 C ATOM 542 O GLY A 37 21.861 -24.608 -0.235 1.00 0.00 O ATOM 0 H GLY A 37 19.170 -27.733 -0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 37 19.141 -25.466 -0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.674 -25.042 1.041 1.00 0.00 H new ATOM 546 N ILE A 38 21.781 -26.804 -0.718 1.00 0.00 N ATOM 547 CA ILE A 38 23.149 -26.855 -1.219 1.00 0.00 C ATOM 548 C ILE A 38 23.201 -26.529 -2.708 1.00 0.00 C ATOM 549 O ILE A 38 22.323 -26.929 -3.473 1.00 0.00 O ATOM 550 CB ILE A 38 23.784 -28.238 -0.985 1.00 0.00 C ATOM 551 CG1 ILE A 38 23.700 -28.618 0.494 1.00 0.00 C ATOM 552 CG2 ILE A 38 25.230 -28.245 -1.459 1.00 0.00 C ATOM 553 CD1 ILE A 38 23.646 -30.111 0.733 1.00 0.00 C ATOM 0 H ILE A 38 21.287 -27.696 -0.749 1.00 0.00 H new ATOM 0 HA ILE A 38 23.716 -26.107 -0.665 1.00 0.00 H new ATOM 0 HB ILE A 38 23.230 -28.978 -1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 38 24.563 -28.206 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 38 22.814 -28.156 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 38 25.665 -29.230 -1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 38 25.265 -28.014 -2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 38 25.798 -27.496 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 38 23.587 -30.306 1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 38 22.767 -30.527 0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 38 24.544 -30.577 0.328 1.00 0.00 H new ATOM 565 N PHE A 39 24.237 -25.802 -3.114 1.00 0.00 N ATOM 566 CA PHE A 39 24.404 -25.423 -4.512 1.00 0.00 C ATOM 567 C PHE A 39 25.882 -25.375 -4.889 1.00 0.00 C ATOM 568 O PHE A 39 26.740 -25.107 -4.047 1.00 0.00 O ATOM 569 CB PHE A 39 23.754 -24.063 -4.775 1.00 0.00 C ATOM 570 CG PHE A 39 24.438 -22.926 -4.072 1.00 0.00 C ATOM 571 CD1 PHE A 39 24.185 -22.669 -2.734 1.00 0.00 C ATOM 572 CD2 PHE A 39 25.334 -22.114 -4.748 1.00 0.00 C ATOM 573 CE1 PHE A 39 24.812 -21.623 -2.085 1.00 0.00 C ATOM 574 CE2 PHE A 39 25.965 -21.066 -4.104 1.00 0.00 C ATOM 575 CZ PHE A 39 25.704 -20.821 -2.770 1.00 0.00 C ATOM 0 H PHE A 39 24.973 -25.464 -2.495 1.00 0.00 H new ATOM 0 HA PHE A 39 23.914 -26.177 -5.128 1.00 0.00 H new ATOM 0 HB2 PHE A 39 23.755 -23.870 -5.848 1.00 0.00 H new ATOM 0 HB3 PHE A 39 22.711 -24.100 -4.459 1.00 0.00 H new ATOM 0 HD1 PHE A 39 23.490 -23.293 -2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 39 25.542 -22.302 -5.791 1.00 0.00 H new ATOM 0 HE1 PHE A 39 24.605 -21.432 -1.042 1.00 0.00 H new ATOM 0 HE2 PHE A 39 26.661 -20.440 -4.643 1.00 0.00 H new ATOM 0 HZ PHE A 39 26.196 -20.004 -2.263 1.00 0.00 H new ATOM 585 N ARG A 40 26.171 -25.636 -6.159 1.00 0.00 N ATOM 586 CA ARG A 40 27.545 -25.625 -6.648 1.00 0.00 C ATOM 587 C ARG A 40 27.770 -24.460 -7.609 1.00 0.00 C ATOM 588 O ARG A 40 26.893 -24.118 -8.402 1.00 0.00 O ATOM 589 CB ARG A 40 27.871 -26.946 -7.346 1.00 0.00 C ATOM 590 CG ARG A 40 29.104 -26.878 -8.233 1.00 0.00 C ATOM 591 CD ARG A 40 29.256 -28.136 -9.073 1.00 0.00 C ATOM 592 NE ARG A 40 30.504 -28.140 -9.832 1.00 0.00 N ATOM 593 CZ ARG A 40 31.018 -29.228 -10.395 1.00 0.00 C ATOM 594 NH1 ARG A 40 30.395 -30.393 -10.285 1.00 0.00 N ATOM 595 NH2 ARG A 40 32.158 -29.151 -11.070 1.00 0.00 N ATOM 0 H ARG A 40 25.473 -25.858 -6.868 1.00 0.00 H new ATOM 0 HA ARG A 40 28.208 -25.501 -5.792 1.00 0.00 H new ATOM 0 HB2 ARG A 40 28.019 -27.719 -6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 40 27.016 -27.249 -7.950 1.00 0.00 H new ATOM 0 HG2 ARG A 40 29.036 -26.009 -8.887 1.00 0.00 H new ATOM 0 HG3 ARG A 40 29.991 -26.743 -7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.224 -29.011 -8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.414 -28.217 -9.760 1.00 0.00 H new ATOM 0 HE ARG A 40 31.008 -27.259 -9.935 1.00 0.00 H new ATOM 0 HH11 ARG A 40 29.519 -30.456 -9.767 1.00 0.00 H new ATOM 0 HH12 ARG A 40 30.792 -31.227 -10.718 1.00 0.00 H new ATOM 0 HH21 ARG A 40 32.640 -28.256 -11.157 1.00 0.00 H new ATOM 0 HH22 ARG A 40 32.552 -29.987 -11.502 1.00 0.00 H new ATOM 609 N VAL A 41 28.951 -23.855 -7.531 1.00 0.00 N ATOM 610 CA VAL A 41 29.292 -22.730 -8.393 1.00 0.00 C ATOM 611 C VAL A 41 29.904 -23.209 -9.705 1.00 0.00 C ATOM 612 O VAL A 41 31.125 -23.265 -9.848 1.00 0.00 O ATOM 613 CB VAL A 41 30.277 -21.770 -7.700 1.00 0.00 C ATOM 614 CG1 VAL A 41 30.673 -20.641 -8.639 1.00 0.00 C ATOM 615 CG2 VAL A 41 29.671 -21.220 -6.417 1.00 0.00 C ATOM 0 H VAL A 41 29.688 -24.125 -6.879 1.00 0.00 H new ATOM 0 HA VAL A 41 28.364 -22.198 -8.601 1.00 0.00 H new ATOM 0 HB VAL A 41 31.178 -22.327 -7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.369 -19.973 -8.132 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.150 -21.056 -9.527 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.784 -20.083 -8.933 1.00 0.00 H new ATOM 0 HG21 VAL A 41 30.380 -20.544 -5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 41 28.754 -20.679 -6.651 1.00 0.00 H new ATOM 0 HG23 VAL A 41 29.444 -22.043 -5.740 1.00 0.00 H new ATOM 625 N VAL A 42 29.047 -23.553 -10.661 1.00 0.00 N ATOM 626 CA VAL A 42 29.503 -24.026 -11.962 1.00 0.00 C ATOM 627 C VAL A 42 30.497 -23.051 -12.584 1.00 0.00 C ATOM 628 O VAL A 42 31.599 -23.436 -12.975 1.00 0.00 O ATOM 629 CB VAL A 42 28.322 -24.226 -12.932 1.00 0.00 C ATOM 630 CG1 VAL A 42 28.818 -24.723 -14.281 1.00 0.00 C ATOM 631 CG2 VAL A 42 27.305 -25.190 -12.340 1.00 0.00 C ATOM 0 H VAL A 42 28.033 -23.513 -10.559 1.00 0.00 H new ATOM 0 HA VAL A 42 29.994 -24.985 -11.796 1.00 0.00 H new ATOM 0 HB VAL A 42 27.832 -23.265 -13.084 1.00 0.00 H new ATOM 0 HG11 VAL A 42 27.970 -24.859 -14.953 1.00 0.00 H new ATOM 0 HG12 VAL A 42 29.506 -23.993 -14.707 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.334 -25.674 -14.151 1.00 0.00 H new ATOM 0 HG21 VAL A 42 26.478 -25.320 -13.038 1.00 0.00 H new ATOM 0 HG22 VAL A 42 27.780 -26.154 -12.157 1.00 0.00 H new ATOM 0 HG23 VAL A 42 26.927 -24.788 -11.400 1.00 0.00 H new ATOM 641 N LYS A 43 30.100 -21.786 -12.671 1.00 0.00 N ATOM 642 CA LYS A 43 30.956 -20.753 -13.243 1.00 0.00 C ATOM 643 C LYS A 43 31.404 -19.763 -12.173 1.00 0.00 C ATOM 644 O LYS A 43 30.692 -18.809 -11.859 1.00 0.00 O ATOM 645 CB LYS A 43 30.219 -20.013 -14.361 1.00 0.00 C ATOM 646 CG LYS A 43 29.912 -20.884 -15.567 1.00 0.00 C ATOM 647 CD LYS A 43 28.983 -20.179 -16.542 1.00 0.00 C ATOM 648 CE LYS A 43 28.816 -20.975 -17.827 1.00 0.00 C ATOM 649 NZ LYS A 43 29.821 -20.587 -18.854 1.00 0.00 N ATOM 0 H LYS A 43 29.191 -21.451 -12.353 1.00 0.00 H new ATOM 0 HA LYS A 43 31.840 -21.237 -13.657 1.00 0.00 H new ATOM 0 HB2 LYS A 43 29.286 -19.612 -13.966 1.00 0.00 H new ATOM 0 HB3 LYS A 43 30.821 -19.163 -14.681 1.00 0.00 H new ATOM 0 HG2 LYS A 43 30.841 -21.147 -16.073 1.00 0.00 H new ATOM 0 HG3 LYS A 43 29.454 -21.816 -15.237 1.00 0.00 H new ATOM 0 HD2 LYS A 43 28.009 -20.030 -16.076 1.00 0.00 H new ATOM 0 HD3 LYS A 43 29.379 -19.191 -16.774 1.00 0.00 H new ATOM 0 HE2 LYS A 43 28.911 -22.039 -17.610 1.00 0.00 H new ATOM 0 HE3 LYS A 43 27.813 -20.819 -18.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 29.674 -21.152 -19.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 29.714 -19.577 -19.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 30.778 -20.760 -18.486 1.00 0.00 H new ATOM 663 N SER A 44 32.588 -19.995 -11.616 1.00 0.00 N ATOM 664 CA SER A 44 33.129 -19.124 -10.579 1.00 0.00 C ATOM 665 C SER A 44 33.476 -17.752 -11.148 1.00 0.00 C ATOM 666 O SER A 44 33.407 -16.743 -10.448 1.00 0.00 O ATOM 667 CB SER A 44 34.372 -19.757 -9.950 1.00 0.00 C ATOM 668 OG SER A 44 35.372 -19.996 -10.925 1.00 0.00 O ATOM 0 H SER A 44 33.191 -20.779 -11.865 1.00 0.00 H new ATOM 0 HA SER A 44 32.366 -18.997 -9.811 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.766 -19.100 -9.175 1.00 0.00 H new ATOM 0 HB3 SER A 44 34.101 -20.695 -9.466 1.00 0.00 H new ATOM 0 HG SER A 44 36.156 -20.399 -10.497 1.00 0.00 H new ATOM 674 N GLU A 45 33.849 -17.724 -12.424 1.00 0.00 N ATOM 675 CA GLU A 45 34.207 -16.476 -13.088 1.00 0.00 C ATOM 676 C GLU A 45 32.965 -15.637 -13.374 1.00 0.00 C ATOM 677 O GLU A 45 32.936 -14.438 -13.096 1.00 0.00 O ATOM 678 CB GLU A 45 34.954 -16.763 -14.392 1.00 0.00 C ATOM 679 CG GLU A 45 36.373 -17.265 -14.183 1.00 0.00 C ATOM 680 CD GLU A 45 37.388 -16.139 -14.128 1.00 0.00 C ATOM 681 OE1 GLU A 45 37.013 -15.021 -13.718 1.00 0.00 O ATOM 682 OE2 GLU A 45 38.558 -16.378 -14.494 1.00 0.00 O ATOM 0 H GLU A 45 33.911 -18.551 -13.018 1.00 0.00 H new ATOM 0 HA GLU A 45 34.859 -15.912 -12.421 1.00 0.00 H new ATOM 0 HB2 GLU A 45 34.396 -17.504 -14.965 1.00 0.00 H new ATOM 0 HB3 GLU A 45 34.984 -15.853 -14.991 1.00 0.00 H new ATOM 0 HG2 GLU A 45 36.419 -17.837 -13.256 1.00 0.00 H new ATOM 0 HG3 GLU A 45 36.636 -17.947 -14.992 1.00 0.00 H new ATOM 689 N ALA A 46 31.942 -16.275 -13.932 1.00 0.00 N ATOM 690 CA ALA A 46 30.698 -15.589 -14.255 1.00 0.00 C ATOM 691 C ALA A 46 29.994 -15.104 -12.992 1.00 0.00 C ATOM 692 O ALA A 46 29.428 -14.010 -12.965 1.00 0.00 O ATOM 693 CB ALA A 46 29.781 -16.504 -15.053 1.00 0.00 C ATOM 0 H ALA A 46 31.951 -17.267 -14.170 1.00 0.00 H new ATOM 0 HA ALA A 46 30.941 -14.717 -14.862 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.856 -15.978 -15.287 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.276 -16.797 -15.979 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.554 -17.394 -14.466 1.00 0.00 H new ATOM 699 N LEU A 47 30.034 -15.923 -11.947 1.00 0.00 N ATOM 700 CA LEU A 47 29.399 -15.578 -10.680 1.00 0.00 C ATOM 701 C LEU A 47 29.889 -14.224 -10.176 1.00 0.00 C ATOM 702 O LEU A 47 29.092 -13.328 -9.901 1.00 0.00 O ATOM 703 CB LEU A 47 29.684 -16.657 -9.633 1.00 0.00 C ATOM 704 CG LEU A 47 29.424 -16.266 -8.178 1.00 0.00 C ATOM 705 CD1 LEU A 47 27.960 -15.911 -7.974 1.00 0.00 C ATOM 706 CD2 LEU A 47 29.838 -17.392 -7.242 1.00 0.00 C ATOM 0 H LEU A 47 30.499 -16.831 -11.952 1.00 0.00 H new ATOM 0 HA LEU A 47 28.324 -15.516 -10.846 1.00 0.00 H new ATOM 0 HB2 LEU A 47 29.077 -17.532 -9.867 1.00 0.00 H new ATOM 0 HB3 LEU A 47 30.727 -16.959 -9.726 1.00 0.00 H new ATOM 0 HG LEU A 47 30.025 -15.387 -7.945 1.00 0.00 H new ATOM 0 HD11 LEU A 47 27.794 -15.635 -6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 47 27.696 -15.072 -8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 47 27.339 -16.771 -8.225 1.00 0.00 H new ATOM 0 HD21 LEU A 47 29.646 -17.097 -6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 47 29.264 -18.289 -7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 47 30.901 -17.598 -7.369 1.00 0.00 H new ATOM 718 N ALA A 48 31.205 -14.082 -10.061 1.00 0.00 N ATOM 719 CA ALA A 48 31.802 -12.837 -9.596 1.00 0.00 C ATOM 720 C ALA A 48 31.522 -11.697 -10.569 1.00 0.00 C ATOM 721 O ALA A 48 31.081 -10.619 -10.170 1.00 0.00 O ATOM 722 CB ALA A 48 33.301 -13.010 -9.399 1.00 0.00 C ATOM 0 H ALA A 48 31.879 -14.815 -10.284 1.00 0.00 H new ATOM 0 HA ALA A 48 31.349 -12.582 -8.638 1.00 0.00 H new ATOM 0 HB1 ALA A 48 33.733 -12.072 -9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 48 33.483 -13.789 -8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 48 33.762 -13.293 -10.345 1.00 0.00 H new ATOM 728 N LYS A 49 31.782 -11.941 -11.849 1.00 0.00 N ATOM 729 CA LYS A 49 31.559 -10.935 -12.881 1.00 0.00 C ATOM 730 C LYS A 49 30.166 -10.327 -12.755 1.00 0.00 C ATOM 731 O LYS A 49 30.007 -9.107 -12.776 1.00 0.00 O ATOM 732 CB LYS A 49 31.733 -11.553 -14.270 1.00 0.00 C ATOM 733 CG LYS A 49 33.033 -11.163 -14.951 1.00 0.00 C ATOM 734 CD LYS A 49 33.585 -12.300 -15.794 1.00 0.00 C ATOM 735 CE LYS A 49 34.576 -11.795 -16.832 1.00 0.00 C ATOM 736 NZ LYS A 49 35.541 -12.854 -17.238 1.00 0.00 N ATOM 0 H LYS A 49 32.148 -12.827 -12.197 1.00 0.00 H new ATOM 0 HA LYS A 49 32.296 -10.143 -12.747 1.00 0.00 H new ATOM 0 HB2 LYS A 49 31.690 -12.639 -14.183 1.00 0.00 H new ATOM 0 HB3 LYS A 49 30.897 -11.250 -14.901 1.00 0.00 H new ATOM 0 HG2 LYS A 49 32.867 -10.289 -15.581 1.00 0.00 H new ATOM 0 HG3 LYS A 49 33.768 -10.878 -14.198 1.00 0.00 H new ATOM 0 HD2 LYS A 49 34.073 -13.029 -15.148 1.00 0.00 H new ATOM 0 HD3 LYS A 49 32.765 -12.815 -16.293 1.00 0.00 H new ATOM 0 HE2 LYS A 49 34.034 -11.441 -17.709 1.00 0.00 H new ATOM 0 HE3 LYS A 49 35.121 -10.942 -16.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 36.199 -12.471 -17.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 36.076 -13.174 -16.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 35.023 -13.658 -17.646 1.00 0.00 H new ATOM 750 N MET A 50 29.160 -11.185 -12.623 1.00 0.00 N ATOM 751 CA MET A 50 27.780 -10.731 -12.490 1.00 0.00 C ATOM 752 C MET A 50 27.578 -9.984 -11.175 1.00 0.00 C ATOM 753 O MET A 50 27.045 -8.874 -11.157 1.00 0.00 O ATOM 754 CB MET A 50 26.819 -11.919 -12.568 1.00 0.00 C ATOM 755 CG MET A 50 26.319 -12.204 -13.975 1.00 0.00 C ATOM 756 SD MET A 50 24.706 -11.469 -14.301 1.00 0.00 S ATOM 757 CE MET A 50 23.655 -12.486 -13.267 1.00 0.00 C ATOM 0 H MET A 50 29.274 -12.198 -12.605 1.00 0.00 H new ATOM 0 HA MET A 50 27.568 -10.048 -13.312 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.320 -12.807 -12.182 1.00 0.00 H new ATOM 0 HB3 MET A 50 25.964 -11.728 -11.919 1.00 0.00 H new ATOM 0 HG2 MET A 50 27.041 -11.822 -14.697 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.259 -13.282 -14.124 1.00 0.00 H new ATOM 0 HE1 MET A 50 22.911 -12.987 -13.886 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.262 -13.232 -12.753 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.152 -11.859 -12.531 1.00 0.00 H new ATOM 767 N TRP A 51 28.005 -10.599 -10.079 1.00 0.00 N ATOM 768 CA TRP A 51 27.870 -9.992 -8.760 1.00 0.00 C ATOM 769 C TRP A 51 28.372 -8.552 -8.770 1.00 0.00 C ATOM 770 O TRP A 51 27.633 -7.626 -8.438 1.00 0.00 O ATOM 771 CB TRP A 51 28.641 -10.806 -7.719 1.00 0.00 C ATOM 772 CG TRP A 51 28.717 -10.138 -6.380 1.00 0.00 C ATOM 773 CD1 TRP A 51 29.838 -9.941 -5.625 1.00 0.00 C ATOM 774 CD2 TRP A 51 27.627 -9.583 -5.636 1.00 0.00 C ATOM 775 NE1 TRP A 51 29.510 -9.296 -4.457 1.00 0.00 N ATOM 776 CE2 TRP A 51 28.160 -9.064 -4.440 1.00 0.00 C ATOM 777 CE3 TRP A 51 26.253 -9.471 -5.865 1.00 0.00 C ATOM 778 CZ2 TRP A 51 27.366 -8.445 -3.478 1.00 0.00 C ATOM 779 CZ3 TRP A 51 25.466 -8.857 -4.910 1.00 0.00 C ATOM 780 CH2 TRP A 51 26.024 -8.350 -3.729 1.00 0.00 C ATOM 0 H TRP A 51 28.448 -11.518 -10.077 1.00 0.00 H new ATOM 0 HA TRP A 51 26.812 -9.987 -8.496 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.165 -11.780 -7.605 1.00 0.00 H new ATOM 0 HB3 TRP A 51 29.652 -10.986 -8.085 1.00 0.00 H new ATOM 0 HD1 TRP A 51 30.835 -10.247 -5.905 1.00 0.00 H new ATOM 0 HE1 TRP A 51 30.166 -9.033 -3.721 1.00 0.00 H new ATOM 0 HE3 TRP A 51 25.814 -9.858 -6.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 27.794 -8.054 -2.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 24.403 -8.766 -5.077 1.00 0.00 H new ATOM 0 HH2 TRP A 51 25.382 -7.875 -3.002 1.00 0.00 H new ATOM 791 N GLY A 52 29.632 -8.371 -9.152 1.00 0.00 N ATOM 792 CA GLY A 52 30.210 -7.040 -9.198 1.00 0.00 C ATOM 793 C GLY A 52 29.294 -6.033 -9.865 1.00 0.00 C ATOM 794 O GLY A 52 29.060 -4.949 -9.331 1.00 0.00 O ATOM 0 H GLY A 52 30.263 -9.122 -9.431 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.432 -6.708 -8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 52 31.157 -7.077 -9.736 1.00 0.00 H new ATOM 798 N GLN A 53 28.776 -6.391 -11.036 1.00 0.00 N ATOM 799 CA GLN A 53 27.883 -5.509 -11.777 1.00 0.00 C ATOM 800 C GLN A 53 26.782 -4.963 -10.873 1.00 0.00 C ATOM 801 O GLN A 53 26.309 -3.843 -11.061 1.00 0.00 O ATOM 802 CB GLN A 53 27.264 -6.253 -12.961 1.00 0.00 C ATOM 803 CG GLN A 53 28.238 -6.497 -14.103 1.00 0.00 C ATOM 804 CD GLN A 53 27.541 -6.680 -15.436 1.00 0.00 C ATOM 805 OE1 GLN A 53 26.519 -7.361 -15.528 1.00 0.00 O ATOM 806 NE2 GLN A 53 28.091 -6.071 -16.480 1.00 0.00 N ATOM 0 H GLN A 53 28.960 -7.285 -11.491 1.00 0.00 H new ATOM 0 HA GLN A 53 28.470 -4.670 -12.150 1.00 0.00 H new ATOM 0 HB2 GLN A 53 26.876 -7.211 -12.615 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.415 -5.681 -13.335 1.00 0.00 H new ATOM 0 HG2 GLN A 53 28.929 -5.657 -14.171 1.00 0.00 H new ATOM 0 HG3 GLN A 53 28.834 -7.383 -13.884 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.938 -5.516 -16.359 1.00 0.00 H new ATOM 0 HE22 GLN A 53 27.666 -6.158 -17.403 1.00 0.00 H new ATOM 815 N ARG A 54 26.379 -5.763 -9.891 1.00 0.00 N ATOM 816 CA ARG A 54 25.333 -5.361 -8.958 1.00 0.00 C ATOM 817 C ARG A 54 25.859 -4.330 -7.964 1.00 0.00 C ATOM 818 O ARG A 54 25.137 -3.418 -7.559 1.00 0.00 O ATOM 819 CB ARG A 54 24.793 -6.580 -8.209 1.00 0.00 C ATOM 820 CG ARG A 54 24.670 -7.823 -9.075 1.00 0.00 C ATOM 821 CD ARG A 54 23.795 -7.569 -10.293 1.00 0.00 C ATOM 822 NE ARG A 54 22.441 -8.085 -10.111 1.00 0.00 N ATOM 823 CZ ARG A 54 21.444 -7.848 -10.956 1.00 0.00 C ATOM 824 NH1 ARG A 54 21.649 -7.106 -12.036 1.00 0.00 N ATOM 825 NH2 ARG A 54 20.240 -8.353 -10.723 1.00 0.00 N ATOM 0 H ARG A 54 26.761 -6.693 -9.721 1.00 0.00 H new ATOM 0 HA ARG A 54 24.524 -4.908 -9.530 1.00 0.00 H new ATOM 0 HB2 ARG A 54 25.449 -6.798 -7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 54 23.814 -6.337 -7.796 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.661 -8.142 -9.398 1.00 0.00 H new ATOM 0 HG3 ARG A 54 24.248 -8.638 -8.486 1.00 0.00 H new ATOM 0 HD2 ARG A 54 23.751 -6.498 -10.491 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.247 -8.037 -11.168 1.00 0.00 H new ATOM 0 HE ARG A 54 22.250 -8.659 -9.290 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.574 -6.716 -12.219 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.882 -6.925 -12.684 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.078 -8.924 -9.894 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.476 -8.170 -11.373 1.00 0.00 H new ATOM 839 N LYS A 55 27.119 -4.482 -7.573 1.00 0.00 N ATOM 840 CA LYS A 55 27.743 -3.565 -6.626 1.00 0.00 C ATOM 841 C LYS A 55 28.514 -2.470 -7.356 1.00 0.00 C ATOM 842 O LYS A 55 29.235 -1.687 -6.739 1.00 0.00 O ATOM 843 CB LYS A 55 28.683 -4.328 -5.689 1.00 0.00 C ATOM 844 CG LYS A 55 27.966 -5.295 -4.764 1.00 0.00 C ATOM 845 CD LYS A 55 28.020 -4.828 -3.319 1.00 0.00 C ATOM 846 CE LYS A 55 26.885 -3.868 -3.000 1.00 0.00 C ATOM 847 NZ LYS A 55 27.271 -2.451 -3.243 1.00 0.00 N ATOM 0 H LYS A 55 27.729 -5.232 -7.897 1.00 0.00 H new ATOM 0 HA LYS A 55 26.954 -3.098 -6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 55 29.408 -4.880 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 55 29.244 -3.612 -5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 55 26.927 -5.396 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 55 28.420 -6.282 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 55 27.966 -5.690 -2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 55 28.976 -4.339 -3.129 1.00 0.00 H new ATOM 0 HE2 LYS A 55 26.017 -4.117 -3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 55 26.589 -3.990 -1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 27.209 -1.917 -2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 28.246 -2.414 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 26.628 -2.031 -3.944 1.00 0.00 H new ATOM 861 N LYS A 56 28.356 -2.421 -8.675 1.00 0.00 N ATOM 862 CA LYS A 56 29.035 -1.421 -9.490 1.00 0.00 C ATOM 863 C LYS A 56 30.503 -1.300 -9.093 1.00 0.00 C ATOM 864 O LYS A 56 31.094 -0.225 -9.184 1.00 0.00 O ATOM 865 CB LYS A 56 28.344 -0.062 -9.347 1.00 0.00 C ATOM 866 CG LYS A 56 27.649 0.402 -10.615 1.00 0.00 C ATOM 867 CD LYS A 56 26.996 1.762 -10.427 1.00 0.00 C ATOM 868 CE LYS A 56 25.487 1.683 -10.596 1.00 0.00 C ATOM 869 NZ LYS A 56 25.059 2.101 -11.960 1.00 0.00 N ATOM 0 H LYS A 56 27.763 -3.063 -9.202 1.00 0.00 H new ATOM 0 HA LYS A 56 28.983 -1.741 -10.531 1.00 0.00 H new ATOM 0 HB2 LYS A 56 27.612 -0.119 -8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 56 29.083 0.683 -9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 56 28.372 0.454 -11.429 1.00 0.00 H new ATOM 0 HG3 LYS A 56 26.894 -0.328 -10.905 1.00 0.00 H new ATOM 0 HD2 LYS A 56 27.233 2.146 -9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 56 27.408 2.467 -11.149 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.153 0.663 -10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.005 2.318 -9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 24.024 2.033 -12.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 25.355 3.083 -12.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 25.499 1.479 -12.668 1.00 0.00 H new ATOM 883 N ASN A 57 31.086 -2.412 -8.656 1.00 0.00 N ATOM 884 CA ASN A 57 32.486 -2.430 -8.246 1.00 0.00 C ATOM 885 C ASN A 57 33.408 -2.402 -9.461 1.00 0.00 C ATOM 886 O ASN A 57 34.345 -1.606 -9.523 1.00 0.00 O ATOM 887 CB ASN A 57 32.775 -3.673 -7.401 1.00 0.00 C ATOM 888 CG ASN A 57 34.210 -3.718 -6.912 1.00 0.00 C ATOM 889 OD1 ASN A 57 34.981 -2.783 -7.129 1.00 0.00 O ATOM 890 ND2 ASN A 57 34.574 -4.809 -6.248 1.00 0.00 N ATOM 0 H ASN A 57 30.611 -3.311 -8.577 1.00 0.00 H new ATOM 0 HA ASN A 57 32.676 -1.539 -7.647 1.00 0.00 H new ATOM 0 HB2 ASN A 57 32.101 -3.692 -6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 57 32.566 -4.566 -7.990 1.00 0.00 H new ATOM 0 HD21 ASN A 57 35.527 -4.897 -5.894 1.00 0.00 H new ATOM 0 HD22 ASN A 57 33.901 -5.559 -6.092 1.00 0.00 H new ATOM 897 N ASP A 58 33.135 -3.275 -10.425 1.00 0.00 N ATOM 898 CA ASP A 58 33.939 -3.349 -11.639 1.00 0.00 C ATOM 899 C ASP A 58 35.178 -4.211 -11.419 1.00 0.00 C ATOM 900 O ASP A 58 35.646 -4.889 -12.334 1.00 0.00 O ATOM 901 CB ASP A 58 34.353 -1.947 -12.089 1.00 0.00 C ATOM 902 CG ASP A 58 34.555 -1.856 -13.589 1.00 0.00 C ATOM 903 OD1 ASP A 58 34.916 -2.883 -14.201 1.00 0.00 O ATOM 904 OD2 ASP A 58 34.352 -0.759 -14.150 1.00 0.00 O ATOM 0 H ASP A 58 32.363 -3.941 -10.389 1.00 0.00 H new ATOM 0 HA ASP A 58 33.332 -3.809 -12.419 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.590 -1.231 -11.784 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.276 -1.664 -11.583 1.00 0.00 H new ATOM 909 N ARG A 59 35.706 -4.180 -10.199 1.00 0.00 N ATOM 910 CA ARG A 59 36.892 -4.957 -9.859 1.00 0.00 C ATOM 911 C ARG A 59 36.516 -6.196 -9.052 1.00 0.00 C ATOM 912 O ARG A 59 37.294 -6.667 -8.222 1.00 0.00 O ATOM 913 CB ARG A 59 37.880 -4.099 -9.067 1.00 0.00 C ATOM 914 CG ARG A 59 38.917 -3.406 -9.936 1.00 0.00 C ATOM 915 CD ARG A 59 39.439 -2.139 -9.276 1.00 0.00 C ATOM 916 NE ARG A 59 39.766 -1.107 -10.256 1.00 0.00 N ATOM 917 CZ ARG A 59 38.867 -0.287 -10.788 1.00 0.00 C ATOM 918 NH1 ARG A 59 37.592 -0.377 -10.435 1.00 0.00 N ATOM 919 NH2 ARG A 59 39.242 0.627 -11.673 1.00 0.00 N ATOM 0 H ARG A 59 35.331 -3.625 -9.430 1.00 0.00 H new ATOM 0 HA ARG A 59 37.364 -5.278 -10.787 1.00 0.00 H new ATOM 0 HB2 ARG A 59 37.326 -3.346 -8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 59 38.391 -4.728 -8.338 1.00 0.00 H new ATOM 0 HG2 ARG A 59 39.747 -4.087 -10.127 1.00 0.00 H new ATOM 0 HG3 ARG A 59 38.478 -3.160 -10.903 1.00 0.00 H new ATOM 0 HD2 ARG A 59 38.690 -1.756 -8.583 1.00 0.00 H new ATOM 0 HD3 ARG A 59 40.326 -2.375 -8.688 1.00 0.00 H new ATOM 0 HE ARG A 59 40.739 -1.011 -10.548 1.00 0.00 H new ATOM 0 HH11 ARG A 59 37.300 -1.077 -9.753 1.00 0.00 H new ATOM 0 HH12 ARG A 59 36.904 0.254 -10.845 1.00 0.00 H new ATOM 0 HH21 ARG A 59 40.222 0.701 -11.946 1.00 0.00 H new ATOM 0 HH22 ARG A 59 38.550 1.256 -12.081 1.00 0.00 H new ATOM 933 N MET A 60 35.320 -6.719 -9.302 1.00 0.00 N ATOM 934 CA MET A 60 34.843 -7.904 -8.598 1.00 0.00 C ATOM 935 C MET A 60 35.417 -9.173 -9.219 1.00 0.00 C ATOM 936 O MET A 60 35.536 -9.281 -10.440 1.00 0.00 O ATOM 937 CB MET A 60 33.314 -7.957 -8.624 1.00 0.00 C ATOM 938 CG MET A 60 32.739 -9.211 -7.987 1.00 0.00 C ATOM 939 SD MET A 60 33.271 -9.430 -6.278 1.00 0.00 S ATOM 940 CE MET A 60 32.280 -8.187 -5.453 1.00 0.00 C ATOM 0 H MET A 60 34.664 -6.342 -9.986 1.00 0.00 H new ATOM 0 HA MET A 60 35.180 -7.842 -7.563 1.00 0.00 H new ATOM 0 HB2 MET A 60 32.919 -7.083 -8.106 1.00 0.00 H new ATOM 0 HB3 MET A 60 32.974 -7.896 -9.658 1.00 0.00 H new ATOM 0 HG2 MET A 60 31.651 -9.165 -8.021 1.00 0.00 H new ATOM 0 HG3 MET A 60 33.040 -10.081 -8.571 1.00 0.00 H new ATOM 0 HE1 MET A 60 31.993 -8.547 -4.465 1.00 0.00 H new ATOM 0 HE2 MET A 60 32.859 -7.269 -5.350 1.00 0.00 H new ATOM 0 HE3 MET A 60 31.384 -7.987 -6.041 1.00 0.00 H new ATOM 950 N THR A 61 35.773 -10.133 -8.371 1.00 0.00 N ATOM 951 CA THR A 61 36.337 -11.394 -8.836 1.00 0.00 C ATOM 952 C THR A 61 36.198 -12.482 -7.778 1.00 0.00 C ATOM 953 O THR A 61 36.387 -12.232 -6.587 1.00 0.00 O ATOM 954 CB THR A 61 37.824 -11.242 -9.207 1.00 0.00 C ATOM 955 OG1 THR A 61 38.319 -12.466 -9.761 1.00 0.00 O ATOM 956 CG2 THR A 61 38.650 -10.861 -7.988 1.00 0.00 C ATOM 0 H THR A 61 35.681 -10.061 -7.358 1.00 0.00 H new ATOM 0 HA THR A 61 35.776 -11.682 -9.725 1.00 0.00 H new ATOM 0 HB THR A 61 37.911 -10.447 -9.948 1.00 0.00 H new ATOM 0 HG1 THR A 61 39.265 -12.360 -9.996 1.00 0.00 H new ATOM 0 HG21 THR A 61 39.697 -10.759 -8.275 1.00 0.00 H new ATOM 0 HG22 THR A 61 38.290 -9.914 -7.586 1.00 0.00 H new ATOM 0 HG23 THR A 61 38.556 -11.637 -7.228 1.00 0.00 H new ATOM 964 N TYR A 62 35.867 -13.691 -8.219 1.00 0.00 N ATOM 965 CA TYR A 62 35.701 -14.818 -7.309 1.00 0.00 C ATOM 966 C TYR A 62 36.695 -14.736 -6.154 1.00 0.00 C ATOM 967 O TYR A 62 36.349 -15.003 -5.004 1.00 0.00 O ATOM 968 CB TYR A 62 35.882 -16.138 -8.060 1.00 0.00 C ATOM 969 CG TYR A 62 35.208 -17.313 -7.388 1.00 0.00 C ATOM 970 CD1 TYR A 62 33.897 -17.223 -6.937 1.00 0.00 C ATOM 971 CD2 TYR A 62 35.883 -18.514 -7.204 1.00 0.00 C ATOM 972 CE1 TYR A 62 33.278 -18.294 -6.323 1.00 0.00 C ATOM 973 CE2 TYR A 62 35.272 -19.590 -6.591 1.00 0.00 C ATOM 974 CZ TYR A 62 33.969 -19.476 -6.152 1.00 0.00 C ATOM 975 OH TYR A 62 33.357 -20.546 -5.541 1.00 0.00 O ATOM 0 H TYR A 62 35.708 -13.915 -9.201 1.00 0.00 H new ATOM 0 HA TYR A 62 34.692 -14.776 -6.900 1.00 0.00 H new ATOM 0 HB2 TYR A 62 35.484 -16.030 -9.069 1.00 0.00 H new ATOM 0 HB3 TYR A 62 36.947 -16.348 -8.158 1.00 0.00 H new ATOM 0 HD1 TYR A 62 33.353 -16.300 -7.069 1.00 0.00 H new ATOM 0 HD2 TYR A 62 36.903 -18.607 -7.546 1.00 0.00 H new ATOM 0 HE1 TYR A 62 32.258 -18.207 -5.978 1.00 0.00 H new ATOM 0 HE2 TYR A 62 35.811 -20.516 -6.456 1.00 0.00 H new ATOM 0 HH TYR A 62 33.043 -20.279 -4.652 1.00 0.00 H new ATOM 985 N GLU A 63 37.931 -14.365 -6.471 1.00 0.00 N ATOM 986 CA GLU A 63 38.976 -14.249 -5.461 1.00 0.00 C ATOM 987 C GLU A 63 38.513 -13.375 -4.298 1.00 0.00 C ATOM 988 O GLU A 63 38.642 -13.753 -3.133 1.00 0.00 O ATOM 989 CB GLU A 63 40.249 -13.664 -6.077 1.00 0.00 C ATOM 990 CG GLU A 63 41.495 -14.488 -5.795 1.00 0.00 C ATOM 991 CD GLU A 63 42.740 -13.898 -6.429 1.00 0.00 C ATOM 992 OE1 GLU A 63 42.832 -13.908 -7.674 1.00 0.00 O ATOM 993 OE2 GLU A 63 43.621 -13.426 -5.680 1.00 0.00 O ATOM 0 H GLU A 63 38.233 -14.140 -7.419 1.00 0.00 H new ATOM 0 HA GLU A 63 39.191 -15.248 -5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 63 40.115 -13.580 -7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 63 40.397 -12.654 -5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 63 41.641 -14.562 -4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 63 41.348 -15.502 -6.167 1.00 0.00 H new ATOM 1000 N LYS A 64 37.975 -12.205 -4.623 1.00 0.00 N ATOM 1001 CA LYS A 64 37.491 -11.277 -3.607 1.00 0.00 C ATOM 1002 C LYS A 64 36.106 -11.682 -3.115 1.00 0.00 C ATOM 1003 O LYS A 64 35.826 -11.645 -1.916 1.00 0.00 O ATOM 1004 CB LYS A 64 37.449 -9.853 -4.167 1.00 0.00 C ATOM 1005 CG LYS A 64 38.782 -9.377 -4.719 1.00 0.00 C ATOM 1006 CD LYS A 64 38.655 -8.020 -5.390 1.00 0.00 C ATOM 1007 CE LYS A 64 39.982 -7.559 -5.972 1.00 0.00 C ATOM 1008 NZ LYS A 64 40.860 -6.948 -4.937 1.00 0.00 N ATOM 0 H LYS A 64 37.863 -11.876 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 64 38.180 -11.309 -2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 64 36.700 -9.804 -4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 64 37.127 -9.171 -3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 64 39.511 -9.317 -3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 64 39.160 -10.105 -5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 64 37.908 -8.073 -6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 64 38.300 -7.287 -4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 64 40.493 -8.407 -6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 64 39.798 -6.835 -6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 41.754 -6.647 -5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 40.383 -6.123 -4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 41.057 -7.647 -4.192 1.00 0.00 H new ATOM 1022 N LEU A 65 35.242 -12.070 -4.047 1.00 0.00 N ATOM 1023 CA LEU A 65 33.885 -12.484 -3.708 1.00 0.00 C ATOM 1024 C LEU A 65 33.897 -13.543 -2.610 1.00 0.00 C ATOM 1025 O LEU A 65 33.161 -13.443 -1.629 1.00 0.00 O ATOM 1026 CB LEU A 65 33.171 -13.025 -4.947 1.00 0.00 C ATOM 1027 CG LEU A 65 31.806 -13.672 -4.707 1.00 0.00 C ATOM 1028 CD1 LEU A 65 30.779 -13.134 -5.691 1.00 0.00 C ATOM 1029 CD2 LEU A 65 31.908 -15.187 -4.815 1.00 0.00 C ATOM 0 H LEU A 65 35.457 -12.106 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 65 33.347 -11.611 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 65 33.043 -12.206 -5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 65 33.820 -13.760 -5.424 1.00 0.00 H new ATOM 0 HG LEU A 65 31.478 -13.420 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 65 29.814 -13.606 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 65 30.685 -12.055 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 65 31.100 -13.355 -6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.928 -15.631 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 65 32.258 -15.458 -5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 65 32.612 -15.558 -4.070 1.00 0.00 H new ATOM 1041 N SER A 66 34.740 -14.556 -2.783 1.00 0.00 N ATOM 1042 CA SER A 66 34.847 -15.636 -1.808 1.00 0.00 C ATOM 1043 C SER A 66 34.908 -15.081 -0.388 1.00 0.00 C ATOM 1044 O SER A 66 34.325 -15.647 0.537 1.00 0.00 O ATOM 1045 CB SER A 66 36.088 -16.485 -2.090 1.00 0.00 C ATOM 1046 OG SER A 66 37.263 -15.837 -1.633 1.00 0.00 O ATOM 0 H SER A 66 35.359 -14.652 -3.588 1.00 0.00 H new ATOM 0 HA SER A 66 33.959 -16.262 -1.897 1.00 0.00 H new ATOM 0 HB2 SER A 66 35.989 -17.454 -1.600 1.00 0.00 H new ATOM 0 HB3 SER A 66 36.167 -16.676 -3.160 1.00 0.00 H new ATOM 0 HG SER A 66 37.551 -15.176 -2.297 1.00 0.00 H new ATOM 1052 N ARG A 67 35.619 -13.970 -0.224 1.00 0.00 N ATOM 1053 CA ARG A 67 35.758 -13.339 1.083 1.00 0.00 C ATOM 1054 C ARG A 67 34.422 -13.316 1.821 1.00 0.00 C ATOM 1055 O ARG A 67 34.364 -13.554 3.027 1.00 0.00 O ATOM 1056 CB ARG A 67 36.293 -11.914 0.930 1.00 0.00 C ATOM 1057 CG ARG A 67 35.201 -10.858 0.852 1.00 0.00 C ATOM 1058 CD ARG A 67 35.786 -9.460 0.734 1.00 0.00 C ATOM 1059 NE ARG A 67 34.882 -8.442 1.262 1.00 0.00 N ATOM 1060 CZ ARG A 67 33.745 -8.091 0.672 1.00 0.00 C ATOM 1061 NH1 ARG A 67 33.374 -8.674 -0.460 1.00 0.00 N ATOM 1062 NH2 ARG A 67 32.975 -7.156 1.214 1.00 0.00 N ATOM 0 H ARG A 67 36.107 -13.489 -0.979 1.00 0.00 H new ATOM 0 HA ARG A 67 36.466 -13.925 1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 67 36.946 -11.688 1.773 1.00 0.00 H new ATOM 0 HB3 ARG A 67 36.905 -11.859 0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 67 34.560 -11.059 -0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 67 34.572 -10.917 1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 67 36.734 -9.417 1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 67 36.003 -9.245 -0.312 1.00 0.00 H new ATOM 0 HE ARG A 67 35.138 -7.975 2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 67 33.962 -9.394 -0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 67 32.500 -8.403 -0.911 1.00 0.00 H new ATOM 0 HH21 ARG A 67 33.256 -6.706 2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 67 32.102 -6.888 0.760 1.00 0.00 H new ATOM 1076 N ALA A 68 33.352 -13.026 1.088 1.00 0.00 N ATOM 1077 CA ALA A 68 32.018 -12.973 1.672 1.00 0.00 C ATOM 1078 C ALA A 68 31.463 -14.375 1.901 1.00 0.00 C ATOM 1079 O ALA A 68 30.737 -14.616 2.867 1.00 0.00 O ATOM 1080 CB ALA A 68 31.082 -12.173 0.778 1.00 0.00 C ATOM 0 H ALA A 68 33.383 -12.824 0.089 1.00 0.00 H new ATOM 0 HA ALA A 68 32.091 -12.477 2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 68 30.089 -12.142 1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 68 31.463 -11.158 0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 68 31.023 -12.646 -0.202 1.00 0.00 H new ATOM 1086 N LEU A 69 31.809 -15.296 1.009 1.00 0.00 N ATOM 1087 CA LEU A 69 31.344 -16.675 1.114 1.00 0.00 C ATOM 1088 C LEU A 69 31.875 -17.334 2.384 1.00 0.00 C ATOM 1089 O LEU A 69 31.143 -18.029 3.087 1.00 0.00 O ATOM 1090 CB LEU A 69 31.784 -17.477 -0.112 1.00 0.00 C ATOM 1091 CG LEU A 69 31.453 -16.860 -1.471 1.00 0.00 C ATOM 1092 CD1 LEU A 69 31.901 -17.779 -2.598 1.00 0.00 C ATOM 1093 CD2 LEU A 69 29.963 -16.571 -1.577 1.00 0.00 C ATOM 0 H LEU A 69 32.410 -15.113 0.205 1.00 0.00 H new ATOM 0 HA LEU A 69 30.255 -16.662 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.862 -17.626 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.323 -18.463 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 69 31.993 -15.917 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.657 -17.323 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.978 -17.935 -2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.389 -18.738 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.746 -16.132 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.403 -17.500 -1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.671 -15.874 -0.792 1.00 0.00 H new ATOM 1105 N ARG A 70 33.153 -17.107 2.671 1.00 0.00 N ATOM 1106 CA ARG A 70 33.782 -17.678 3.857 1.00 0.00 C ATOM 1107 C ARG A 70 33.472 -16.839 5.093 1.00 0.00 C ATOM 1108 O ARG A 70 33.633 -17.299 6.224 1.00 0.00 O ATOM 1109 CB ARG A 70 35.296 -17.775 3.660 1.00 0.00 C ATOM 1110 CG ARG A 70 35.700 -18.564 2.425 1.00 0.00 C ATOM 1111 CD ARG A 70 36.770 -19.594 2.748 1.00 0.00 C ATOM 1112 NE ARG A 70 37.855 -19.582 1.770 1.00 0.00 N ATOM 1113 CZ ARG A 70 37.742 -20.074 0.541 1.00 0.00 C ATOM 1114 NH1 ARG A 70 36.599 -20.614 0.142 1.00 0.00 N ATOM 1115 NH2 ARG A 70 38.774 -20.026 -0.292 1.00 0.00 N ATOM 0 H ARG A 70 33.773 -16.533 2.100 1.00 0.00 H new ATOM 0 HA ARG A 70 33.377 -18.679 4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 70 35.710 -16.769 3.590 1.00 0.00 H new ATOM 0 HB3 ARG A 70 35.739 -18.241 4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 70 34.825 -19.064 2.009 1.00 0.00 H new ATOM 0 HG3 ARG A 70 36.070 -17.881 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 70 37.175 -19.397 3.741 1.00 0.00 H new ATOM 0 HD3 ARG A 70 36.320 -20.586 2.778 1.00 0.00 H new ATOM 0 HE ARG A 70 38.748 -19.174 2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 70 35.803 -20.653 0.779 1.00 0.00 H new ATOM 0 HH12 ARG A 70 36.515 -20.991 -0.802 1.00 0.00 H new ATOM 0 HH21 ARG A 70 39.655 -19.611 0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 70 38.686 -20.404 -1.235 1.00 0.00 H new ATOM 1129 N TYR A 71 33.026 -15.608 4.870 1.00 0.00 N ATOM 1130 CA TYR A 71 32.696 -14.704 5.966 1.00 0.00 C ATOM 1131 C TYR A 71 31.299 -14.992 6.507 1.00 0.00 C ATOM 1132 O TYR A 71 30.979 -14.647 7.645 1.00 0.00 O ATOM 1133 CB TYR A 71 32.785 -13.250 5.500 1.00 0.00 C ATOM 1134 CG TYR A 71 32.373 -12.250 6.556 1.00 0.00 C ATOM 1135 CD1 TYR A 71 33.231 -11.916 7.597 1.00 0.00 C ATOM 1136 CD2 TYR A 71 31.126 -11.639 6.514 1.00 0.00 C ATOM 1137 CE1 TYR A 71 32.859 -11.002 8.564 1.00 0.00 C ATOM 1138 CE2 TYR A 71 30.746 -10.724 7.476 1.00 0.00 C ATOM 1139 CZ TYR A 71 31.616 -10.409 8.499 1.00 0.00 C ATOM 1140 OH TYR A 71 31.240 -9.499 9.461 1.00 0.00 O ATOM 0 H TYR A 71 32.885 -15.213 3.940 1.00 0.00 H new ATOM 0 HA TYR A 71 33.417 -14.866 6.767 1.00 0.00 H new ATOM 0 HB2 TYR A 71 33.809 -13.038 5.191 1.00 0.00 H new ATOM 0 HB3 TYR A 71 32.153 -13.119 4.622 1.00 0.00 H new ATOM 0 HD1 TYR A 71 34.205 -12.379 7.651 1.00 0.00 H new ATOM 0 HD2 TYR A 71 30.442 -11.884 5.715 1.00 0.00 H new ATOM 0 HE1 TYR A 71 33.538 -10.753 9.366 1.00 0.00 H new ATOM 0 HE2 TYR A 71 29.773 -10.258 7.428 1.00 0.00 H new ATOM 0 HH TYR A 71 30.336 -9.174 9.268 1.00 0.00 H new ATOM 1150 N TYR A 72 30.472 -15.626 5.684 1.00 0.00 N ATOM 1151 CA TYR A 72 29.108 -15.959 6.078 1.00 0.00 C ATOM 1152 C TYR A 72 29.096 -17.109 7.081 1.00 0.00 C ATOM 1153 O TYR A 72 28.175 -17.234 7.888 1.00 0.00 O ATOM 1154 CB TYR A 72 28.277 -16.331 4.849 1.00 0.00 C ATOM 1155 CG TYR A 72 27.815 -15.136 4.046 1.00 0.00 C ATOM 1156 CD1 TYR A 72 27.274 -14.021 4.673 1.00 0.00 C ATOM 1157 CD2 TYR A 72 27.918 -15.124 2.660 1.00 0.00 C ATOM 1158 CE1 TYR A 72 26.850 -12.927 3.944 1.00 0.00 C ATOM 1159 CE2 TYR A 72 27.498 -14.034 1.923 1.00 0.00 C ATOM 1160 CZ TYR A 72 26.964 -12.938 2.569 1.00 0.00 C ATOM 1161 OH TYR A 72 26.543 -11.851 1.838 1.00 0.00 O ATOM 0 H TYR A 72 30.722 -15.920 4.740 1.00 0.00 H new ATOM 0 HA TYR A 72 28.669 -15.082 6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 72 28.867 -16.984 4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 72 27.405 -16.902 5.169 1.00 0.00 H new ATOM 0 HD1 TYR A 72 27.183 -14.009 5.749 1.00 0.00 H new ATOM 0 HD2 TYR A 72 28.333 -15.981 2.151 1.00 0.00 H new ATOM 0 HE1 TYR A 72 26.432 -12.068 4.447 1.00 0.00 H new ATOM 0 HE2 TYR A 72 27.587 -14.040 0.847 1.00 0.00 H new ATOM 0 HH TYR A 72 27.321 -11.389 1.461 1.00 0.00 H new ATOM 1171 N TYR A 73 30.126 -17.946 7.024 1.00 0.00 N ATOM 1172 CA TYR A 73 30.235 -19.086 7.925 1.00 0.00 C ATOM 1173 C TYR A 73 30.219 -18.633 9.382 1.00 0.00 C ATOM 1174 O TYR A 73 29.868 -19.399 10.279 1.00 0.00 O ATOM 1175 CB TYR A 73 31.517 -19.870 7.637 1.00 0.00 C ATOM 1176 CG TYR A 73 31.592 -20.410 6.227 1.00 0.00 C ATOM 1177 CD1 TYR A 73 30.454 -20.868 5.575 1.00 0.00 C ATOM 1178 CD2 TYR A 73 32.803 -20.461 5.546 1.00 0.00 C ATOM 1179 CE1 TYR A 73 30.519 -21.362 4.287 1.00 0.00 C ATOM 1180 CE2 TYR A 73 32.877 -20.952 4.257 1.00 0.00 C ATOM 1181 CZ TYR A 73 31.733 -21.402 3.632 1.00 0.00 C ATOM 1182 OH TYR A 73 31.802 -21.893 2.348 1.00 0.00 O ATOM 0 H TYR A 73 30.897 -17.856 6.363 1.00 0.00 H new ATOM 0 HA TYR A 73 29.375 -19.734 7.756 1.00 0.00 H new ATOM 0 HB2 TYR A 73 32.376 -19.224 7.816 1.00 0.00 H new ATOM 0 HB3 TYR A 73 31.591 -20.700 8.340 1.00 0.00 H new ATOM 0 HD1 TYR A 73 29.502 -20.837 6.084 1.00 0.00 H new ATOM 0 HD2 TYR A 73 33.701 -20.111 6.033 1.00 0.00 H new ATOM 0 HE1 TYR A 73 29.625 -21.715 3.795 1.00 0.00 H new ATOM 0 HE2 TYR A 73 33.826 -20.983 3.741 1.00 0.00 H new ATOM 0 HH TYR A 73 31.717 -21.154 1.710 1.00 0.00 H new ATOM 1192 N LYS A 74 30.602 -17.381 9.609 1.00 0.00 N ATOM 1193 CA LYS A 74 30.630 -16.822 10.955 1.00 0.00 C ATOM 1194 C LYS A 74 29.228 -16.434 11.414 1.00 0.00 C ATOM 1195 O LYS A 74 28.837 -16.708 12.549 1.00 0.00 O ATOM 1196 CB LYS A 74 31.550 -15.600 11.002 1.00 0.00 C ATOM 1197 CG LYS A 74 32.803 -15.748 10.156 1.00 0.00 C ATOM 1198 CD LYS A 74 33.989 -15.037 10.787 1.00 0.00 C ATOM 1199 CE LYS A 74 35.308 -15.600 10.282 1.00 0.00 C ATOM 1200 NZ LYS A 74 35.527 -17.000 10.742 1.00 0.00 N ATOM 0 H LYS A 74 30.897 -16.734 8.878 1.00 0.00 H new ATOM 0 HA LYS A 74 31.015 -17.586 11.630 1.00 0.00 H new ATOM 0 HB2 LYS A 74 30.995 -14.725 10.664 1.00 0.00 H new ATOM 0 HB3 LYS A 74 31.840 -15.414 12.036 1.00 0.00 H new ATOM 0 HG2 LYS A 74 33.036 -16.805 10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 74 32.621 -15.342 9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 74 33.937 -13.972 10.563 1.00 0.00 H new ATOM 0 HD3 LYS A 74 33.940 -15.138 11.871 1.00 0.00 H new ATOM 0 HE2 LYS A 74 35.322 -15.569 9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 74 36.128 -14.971 10.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 36.546 -17.209 10.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 35.148 -17.113 11.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 35.040 -17.657 10.099 1.00 0.00 H new ATOM 1214 N THR A 75 28.474 -15.797 10.523 1.00 0.00 N ATOM 1215 CA THR A 75 27.116 -15.373 10.836 1.00 0.00 C ATOM 1216 C THR A 75 26.128 -16.521 10.666 1.00 0.00 C ATOM 1217 O THR A 75 24.956 -16.403 11.023 1.00 0.00 O ATOM 1218 CB THR A 75 26.676 -14.196 9.945 1.00 0.00 C ATOM 1219 OG1 THR A 75 26.490 -14.644 8.598 1.00 0.00 O ATOM 1220 CG2 THR A 75 27.708 -13.079 9.975 1.00 0.00 C ATOM 0 H THR A 75 28.782 -15.564 9.579 1.00 0.00 H new ATOM 0 HA THR A 75 27.118 -15.051 11.877 1.00 0.00 H new ATOM 0 HB THR A 75 25.734 -13.809 10.332 1.00 0.00 H new ATOM 0 HG1 THR A 75 27.048 -15.433 8.436 1.00 0.00 H new ATOM 0 HG21 THR A 75 27.375 -12.259 9.338 1.00 0.00 H new ATOM 0 HG22 THR A 75 27.826 -12.720 10.997 1.00 0.00 H new ATOM 0 HG23 THR A 75 28.663 -13.456 9.611 1.00 0.00 H new ATOM 1228 N GLY A 76 26.609 -17.633 10.118 1.00 0.00 N ATOM 1229 CA GLY A 76 25.754 -18.788 9.911 1.00 0.00 C ATOM 1230 C GLY A 76 24.988 -18.715 8.605 1.00 0.00 C ATOM 1231 O GLY A 76 24.377 -19.696 8.181 1.00 0.00 O ATOM 0 H GLY A 76 27.575 -17.755 9.814 1.00 0.00 H new ATOM 0 HA2 GLY A 76 26.362 -19.693 9.922 1.00 0.00 H new ATOM 0 HA3 GLY A 76 25.049 -18.867 10.738 1.00 0.00 H new ATOM 1235 N ILE A 77 25.018 -17.549 7.968 1.00 0.00 N ATOM 1236 CA ILE A 77 24.320 -17.353 6.703 1.00 0.00 C ATOM 1237 C ILE A 77 24.597 -18.500 5.738 1.00 0.00 C ATOM 1238 O ILE A 77 23.690 -18.995 5.068 1.00 0.00 O ATOM 1239 CB ILE A 77 24.728 -16.026 6.036 1.00 0.00 C ATOM 1240 CG1 ILE A 77 24.125 -14.842 6.794 1.00 0.00 C ATOM 1241 CG2 ILE A 77 24.288 -16.009 4.580 1.00 0.00 C ATOM 1242 CD1 ILE A 77 22.710 -14.511 6.373 1.00 0.00 C ATOM 0 H ILE A 77 25.518 -16.727 8.307 1.00 0.00 H new ATOM 0 HA ILE A 77 23.255 -17.324 6.932 1.00 0.00 H new ATOM 0 HB ILE A 77 25.814 -15.939 6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 77 24.136 -15.061 7.862 1.00 0.00 H new ATOM 0 HG13 ILE A 77 24.755 -13.965 6.642 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.583 -15.065 4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.761 -16.834 4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.205 -16.115 4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.347 -13.662 6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 77 22.695 -14.260 5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.067 -15.373 6.551 1.00 0.00 H new ATOM 1254 N LEU A 78 25.855 -18.921 5.674 1.00 0.00 N ATOM 1255 CA LEU A 78 26.253 -20.014 4.793 1.00 0.00 C ATOM 1256 C LEU A 78 26.625 -21.255 5.597 1.00 0.00 C ATOM 1257 O LEU A 78 26.526 -21.264 6.824 1.00 0.00 O ATOM 1258 CB LEU A 78 27.433 -19.586 3.919 1.00 0.00 C ATOM 1259 CG LEU A 78 27.152 -19.472 2.420 1.00 0.00 C ATOM 1260 CD1 LEU A 78 25.969 -18.549 2.168 1.00 0.00 C ATOM 1261 CD2 LEU A 78 28.386 -18.974 1.682 1.00 0.00 C ATOM 0 H LEU A 78 26.618 -18.522 6.222 1.00 0.00 H new ATOM 0 HA LEU A 78 25.405 -20.259 4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 78 27.792 -18.620 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 78 28.244 -20.300 4.063 1.00 0.00 H new ATOM 0 HG LEU A 78 26.902 -20.463 2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 78 25.783 -18.480 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 78 25.084 -18.948 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 78 26.191 -17.557 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 78 28.167 -18.899 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 78 28.667 -17.993 2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 78 29.208 -19.673 1.835 1.00 0.00 H new ATOM 1273 N GLU A 79 27.055 -22.300 4.898 1.00 0.00 N ATOM 1274 CA GLU A 79 27.443 -23.547 5.548 1.00 0.00 C ATOM 1275 C GLU A 79 28.843 -23.973 5.115 1.00 0.00 C ATOM 1276 O GLU A 79 29.141 -24.043 3.922 1.00 0.00 O ATOM 1277 CB GLU A 79 26.437 -24.652 5.222 1.00 0.00 C ATOM 1278 CG GLU A 79 26.004 -25.458 6.436 1.00 0.00 C ATOM 1279 CD GLU A 79 27.177 -25.915 7.281 1.00 0.00 C ATOM 1280 OE1 GLU A 79 27.861 -26.878 6.877 1.00 0.00 O ATOM 1281 OE2 GLU A 79 27.411 -25.309 8.348 1.00 0.00 O ATOM 0 H GLU A 79 27.144 -22.309 3.882 1.00 0.00 H new ATOM 0 HA GLU A 79 27.450 -23.379 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.557 -24.206 4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.876 -25.326 4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.333 -24.855 7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 79 25.437 -26.329 6.106 1.00 0.00 H new ATOM 1288 N ARG A 80 29.697 -24.257 6.092 1.00 0.00 N ATOM 1289 CA ARG A 80 31.066 -24.675 5.813 1.00 0.00 C ATOM 1290 C ARG A 80 31.091 -26.056 5.164 1.00 0.00 C ATOM 1291 O ARG A 80 30.780 -27.061 5.804 1.00 0.00 O ATOM 1292 CB ARG A 80 31.890 -24.691 7.102 1.00 0.00 C ATOM 1293 CG ARG A 80 33.362 -24.379 6.887 1.00 0.00 C ATOM 1294 CD ARG A 80 33.919 -23.522 8.014 1.00 0.00 C ATOM 1295 NE ARG A 80 35.348 -23.744 8.214 1.00 0.00 N ATOM 1296 CZ ARG A 80 36.081 -23.070 9.094 1.00 0.00 C ATOM 1297 NH1 ARG A 80 35.520 -22.137 9.851 1.00 0.00 N ATOM 1298 NH2 ARG A 80 37.376 -23.329 9.218 1.00 0.00 N ATOM 0 H ARG A 80 29.466 -24.205 7.084 1.00 0.00 H new ATOM 0 HA ARG A 80 31.504 -23.958 5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 80 31.472 -23.966 7.800 1.00 0.00 H new ATOM 0 HB3 ARG A 80 31.799 -25.672 7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 80 33.927 -25.309 6.822 1.00 0.00 H new ATOM 0 HG3 ARG A 80 33.491 -23.861 5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 80 33.743 -22.470 7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 80 33.385 -23.745 8.937 1.00 0.00 H new ATOM 0 HE ARG A 80 35.809 -24.456 7.647 1.00 0.00 H new ATOM 0 HH11 ARG A 80 34.524 -21.936 9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 80 36.084 -21.621 10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 80 37.811 -24.046 8.637 1.00 0.00 H new ATOM 0 HH22 ARG A 80 37.937 -22.811 9.894 1.00 0.00 H new ATOM 1312 N VAL A 81 31.462 -26.098 3.888 1.00 0.00 N ATOM 1313 CA VAL A 81 31.528 -27.355 3.152 1.00 0.00 C ATOM 1314 C VAL A 81 32.965 -27.696 2.776 1.00 0.00 C ATOM 1315 O VAL A 81 33.752 -26.816 2.427 1.00 0.00 O ATOM 1316 CB VAL A 81 30.672 -27.301 1.872 1.00 0.00 C ATOM 1317 CG1 VAL A 81 30.667 -28.654 1.176 1.00 0.00 C ATOM 1318 CG2 VAL A 81 29.255 -26.854 2.197 1.00 0.00 C ATOM 0 H VAL A 81 31.721 -25.276 3.343 1.00 0.00 H new ATOM 0 HA VAL A 81 31.135 -28.129 3.811 1.00 0.00 H new ATOM 0 HB VAL A 81 31.111 -26.571 1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 81 30.058 -28.597 0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 81 31.687 -28.929 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 81 30.253 -29.407 1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 81 28.665 -26.822 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 81 28.803 -27.558 2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 81 29.281 -25.862 2.647 1.00 0.00 H new ATOM 1328 N ASP A 82 33.301 -28.980 2.848 1.00 0.00 N ATOM 1329 CA ASP A 82 34.644 -29.439 2.513 1.00 0.00 C ATOM 1330 C ASP A 82 34.693 -29.983 1.089 1.00 0.00 C ATOM 1331 O ASP A 82 35.262 -31.045 0.839 1.00 0.00 O ATOM 1332 CB ASP A 82 35.098 -30.516 3.500 1.00 0.00 C ATOM 1333 CG ASP A 82 35.879 -29.942 4.665 1.00 0.00 C ATOM 1334 OD1 ASP A 82 35.258 -29.299 5.536 1.00 0.00 O ATOM 1335 OD2 ASP A 82 37.113 -30.134 4.705 1.00 0.00 O ATOM 0 H ASP A 82 32.662 -29.721 3.135 1.00 0.00 H new ATOM 0 HA ASP A 82 35.320 -28.587 2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 82 34.226 -31.049 3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 82 35.715 -31.247 2.977 1.00 0.00 H new ATOM 1340 N ARG A 83 34.091 -29.248 0.159 1.00 0.00 N ATOM 1341 CA ARG A 83 34.064 -29.658 -1.239 1.00 0.00 C ATOM 1342 C ARG A 83 34.724 -28.606 -2.127 1.00 0.00 C ATOM 1343 O ARG A 83 35.310 -27.642 -1.633 1.00 0.00 O ATOM 1344 CB ARG A 83 32.623 -29.894 -1.696 1.00 0.00 C ATOM 1345 CG ARG A 83 32.192 -31.350 -1.625 1.00 0.00 C ATOM 1346 CD ARG A 83 30.821 -31.494 -0.984 1.00 0.00 C ATOM 1347 NE ARG A 83 29.970 -32.427 -1.718 1.00 0.00 N ATOM 1348 CZ ARG A 83 28.863 -32.963 -1.215 1.00 0.00 C ATOM 1349 NH1 ARG A 83 28.476 -32.659 0.016 1.00 0.00 N ATOM 1350 NH2 ARG A 83 28.141 -33.803 -1.944 1.00 0.00 N ATOM 0 H ARG A 83 33.616 -28.366 0.349 1.00 0.00 H new ATOM 0 HA ARG A 83 34.624 -30.589 -1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 83 31.953 -29.295 -1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 83 32.514 -29.541 -2.721 1.00 0.00 H new ATOM 0 HG2 ARG A 83 32.172 -31.774 -2.629 1.00 0.00 H new ATOM 0 HG3 ARG A 83 32.924 -31.920 -1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 83 30.935 -31.839 0.044 1.00 0.00 H new ATOM 0 HD3 ARG A 83 30.337 -30.519 -0.941 1.00 0.00 H new ATOM 0 HE ARG A 83 30.240 -32.681 -2.668 1.00 0.00 H new ATOM 0 HH11 ARG A 83 29.028 -32.012 0.579 1.00 0.00 H new ATOM 0 HH12 ARG A 83 27.626 -33.072 0.400 1.00 0.00 H new ATOM 0 HH21 ARG A 83 28.435 -34.038 -2.892 1.00 0.00 H new ATOM 0 HH22 ARG A 83 27.291 -34.214 -1.557 1.00 0.00 H new ATOM 1364 N ARG A 84 34.626 -28.800 -3.438 1.00 0.00 N ATOM 1365 CA ARG A 84 35.215 -27.870 -4.394 1.00 0.00 C ATOM 1366 C ARG A 84 34.134 -27.043 -5.084 1.00 0.00 C ATOM 1367 O ARG A 84 33.338 -27.569 -5.864 1.00 0.00 O ATOM 1368 CB ARG A 84 36.036 -28.629 -5.437 1.00 0.00 C ATOM 1369 CG ARG A 84 37.011 -27.750 -6.203 1.00 0.00 C ATOM 1370 CD ARG A 84 38.333 -27.610 -5.464 1.00 0.00 C ATOM 1371 NE ARG A 84 39.450 -28.153 -6.232 1.00 0.00 N ATOM 1372 CZ ARG A 84 40.693 -28.227 -5.770 1.00 0.00 C ATOM 1373 NH1 ARG A 84 40.976 -27.795 -4.549 1.00 0.00 N ATOM 1374 NH2 ARG A 84 41.655 -28.734 -6.530 1.00 0.00 N ATOM 0 H ARG A 84 34.144 -29.593 -3.862 1.00 0.00 H new ATOM 0 HA ARG A 84 35.872 -27.194 -3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 84 36.591 -29.425 -4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 84 35.357 -29.106 -6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 84 37.188 -28.176 -7.191 1.00 0.00 H new ATOM 0 HG3 ARG A 84 36.572 -26.764 -6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 84 38.518 -26.558 -5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 84 38.268 -28.124 -4.505 1.00 0.00 H new ATOM 0 HE ARG A 84 39.265 -28.494 -7.175 1.00 0.00 H new ATOM 0 HH11 ARG A 84 40.238 -27.405 -3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 84 41.931 -27.853 -4.196 1.00 0.00 H new ATOM 0 HH21 ARG A 84 41.440 -29.067 -7.470 1.00 0.00 H new ATOM 0 HH22 ARG A 84 42.609 -28.790 -6.175 1.00 0.00 H new ATOM 1388 N LEU A 85 34.111 -25.747 -4.793 1.00 0.00 N ATOM 1389 CA LEU A 85 33.128 -24.847 -5.385 1.00 0.00 C ATOM 1390 C LEU A 85 31.710 -25.279 -5.029 1.00 0.00 C ATOM 1391 O LEU A 85 30.786 -25.139 -5.832 1.00 0.00 O ATOM 1392 CB LEU A 85 33.295 -24.806 -6.905 1.00 0.00 C ATOM 1393 CG LEU A 85 34.282 -23.771 -7.445 1.00 0.00 C ATOM 1394 CD1 LEU A 85 35.622 -23.891 -6.737 1.00 0.00 C ATOM 1395 CD2 LEU A 85 34.454 -23.931 -8.949 1.00 0.00 C ATOM 0 H LEU A 85 34.762 -25.296 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 85 33.296 -23.849 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 85 33.614 -25.792 -7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.319 -24.616 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 85 33.879 -22.777 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 85 36.312 -23.146 -7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 85 35.485 -23.725 -5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 85 36.031 -24.888 -6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 85 35.160 -23.186 -9.316 1.00 0.00 H new ATOM 0 HD22 LEU A 85 34.834 -24.929 -9.168 1.00 0.00 H new ATOM 0 HD23 LEU A 85 33.492 -23.793 -9.442 1.00 0.00 H new ATOM 1407 N VAL A 86 31.543 -25.805 -3.820 1.00 0.00 N ATOM 1408 CA VAL A 86 30.236 -26.255 -3.356 1.00 0.00 C ATOM 1409 C VAL A 86 29.865 -25.594 -2.033 1.00 0.00 C ATOM 1410 O VAL A 86 30.433 -25.911 -0.987 1.00 0.00 O ATOM 1411 CB VAL A 86 30.199 -27.785 -3.181 1.00 0.00 C ATOM 1412 CG1 VAL A 86 28.950 -28.206 -2.420 1.00 0.00 C ATOM 1413 CG2 VAL A 86 30.268 -28.477 -4.533 1.00 0.00 C ATOM 0 H VAL A 86 32.297 -25.930 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 86 29.513 -25.966 -4.119 1.00 0.00 H new ATOM 0 HB VAL A 86 31.069 -28.088 -2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 86 28.941 -29.290 -2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 86 28.949 -27.738 -1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 86 28.064 -27.892 -2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 86 30.241 -29.557 -4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 86 29.418 -28.170 -5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 86 31.194 -28.201 -5.036 1.00 0.00 H new ATOM 1423 N TYR A 87 28.908 -24.675 -2.085 1.00 0.00 N ATOM 1424 CA TYR A 87 28.462 -23.967 -0.891 1.00 0.00 C ATOM 1425 C TYR A 87 27.027 -24.346 -0.538 1.00 0.00 C ATOM 1426 O TYR A 87 26.329 -24.986 -1.325 1.00 0.00 O ATOM 1427 CB TYR A 87 28.565 -22.455 -1.101 1.00 0.00 C ATOM 1428 CG TYR A 87 29.967 -21.981 -1.410 1.00 0.00 C ATOM 1429 CD1 TYR A 87 30.547 -22.226 -2.648 1.00 0.00 C ATOM 1430 CD2 TYR A 87 30.711 -21.287 -0.464 1.00 0.00 C ATOM 1431 CE1 TYR A 87 31.828 -21.795 -2.935 1.00 0.00 C ATOM 1432 CE2 TYR A 87 31.992 -20.851 -0.742 1.00 0.00 C ATOM 1433 CZ TYR A 87 32.546 -21.108 -1.979 1.00 0.00 C ATOM 1434 OH TYR A 87 33.822 -20.676 -2.261 1.00 0.00 O ATOM 0 H TYR A 87 28.426 -24.403 -2.942 1.00 0.00 H new ATOM 0 HA TYR A 87 29.110 -24.257 -0.064 1.00 0.00 H new ATOM 0 HB2 TYR A 87 27.904 -22.164 -1.917 1.00 0.00 H new ATOM 0 HB3 TYR A 87 28.208 -21.947 -0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 87 29.987 -22.763 -3.399 1.00 0.00 H new ATOM 0 HD2 TYR A 87 30.280 -21.085 0.506 1.00 0.00 H new ATOM 0 HE1 TYR A 87 32.264 -21.995 -3.902 1.00 0.00 H new ATOM 0 HE2 TYR A 87 32.556 -20.312 0.005 1.00 0.00 H new ATOM 0 HH TYR A 87 34.189 -20.208 -1.482 1.00 0.00 H new ATOM 1444 N LYS A 88 26.592 -23.945 0.652 1.00 0.00 N ATOM 1445 CA LYS A 88 25.240 -24.240 1.112 1.00 0.00 C ATOM 1446 C LYS A 88 24.754 -23.174 2.090 1.00 0.00 C ATOM 1447 O LYS A 88 25.444 -22.841 3.054 1.00 0.00 O ATOM 1448 CB LYS A 88 25.194 -25.617 1.778 1.00 0.00 C ATOM 1449 CG LYS A 88 23.862 -25.930 2.437 1.00 0.00 C ATOM 1450 CD LYS A 88 24.027 -26.898 3.596 1.00 0.00 C ATOM 1451 CE LYS A 88 22.758 -27.699 3.839 1.00 0.00 C ATOM 1452 NZ LYS A 88 22.411 -27.766 5.285 1.00 0.00 N ATOM 0 H LYS A 88 27.157 -23.415 1.316 1.00 0.00 H new ATOM 0 HA LYS A 88 24.580 -24.241 0.244 1.00 0.00 H new ATOM 0 HB2 LYS A 88 25.408 -26.380 1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 88 25.983 -25.675 2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 88 23.406 -25.007 2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 88 23.182 -26.356 1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 88 24.853 -27.578 3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 88 24.288 -26.345 4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 88 21.933 -27.247 3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 88 22.886 -28.709 3.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 21.540 -28.321 5.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 23.187 -28.220 5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 22.263 -26.804 5.651 1.00 0.00 H new ATOM 1466 N PHE A 89 23.562 -22.645 1.837 1.00 0.00 N ATOM 1467 CA PHE A 89 22.984 -21.617 2.695 1.00 0.00 C ATOM 1468 C PHE A 89 22.602 -22.196 4.054 1.00 0.00 C ATOM 1469 O PHE A 89 21.863 -23.176 4.138 1.00 0.00 O ATOM 1470 CB PHE A 89 21.754 -20.998 2.028 1.00 0.00 C ATOM 1471 CG PHE A 89 22.049 -20.362 0.700 1.00 0.00 C ATOM 1472 CD1 PHE A 89 22.576 -19.082 0.631 1.00 0.00 C ATOM 1473 CD2 PHE A 89 21.800 -21.044 -0.481 1.00 0.00 C ATOM 1474 CE1 PHE A 89 22.848 -18.494 -0.590 1.00 0.00 C ATOM 1475 CE2 PHE A 89 22.070 -20.461 -1.705 1.00 0.00 C ATOM 1476 CZ PHE A 89 22.596 -19.185 -1.759 1.00 0.00 C ATOM 0 H PHE A 89 22.977 -22.911 1.045 1.00 0.00 H new ATOM 0 HA PHE A 89 23.735 -20.841 2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 89 20.997 -21.770 1.892 1.00 0.00 H new ATOM 0 HB3 PHE A 89 21.328 -20.248 2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 89 22.776 -18.538 1.542 1.00 0.00 H new ATOM 0 HD2 PHE A 89 21.390 -22.043 -0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 89 23.257 -17.495 -0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 89 21.870 -21.002 -2.618 1.00 0.00 H new ATOM 0 HZ PHE A 89 22.810 -18.728 -2.714 1.00 0.00 H new ATOM 1486 N GLY A 90 23.112 -21.581 5.117 1.00 0.00 N ATOM 1487 CA GLY A 90 22.815 -22.049 6.458 1.00 0.00 C ATOM 1488 C GLY A 90 21.382 -21.767 6.866 1.00 0.00 C ATOM 1489 O GLY A 90 20.486 -21.720 6.023 1.00 0.00 O ATOM 0 H GLY A 90 23.725 -20.767 5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.001 -23.121 6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.492 -21.570 7.165 1.00 0.00 H new ATOM 1493 N LYS A 91 21.164 -21.580 8.163 1.00 0.00 N ATOM 1494 CA LYS A 91 19.830 -21.302 8.683 1.00 0.00 C ATOM 1495 C LYS A 91 19.609 -19.801 8.840 1.00 0.00 C ATOM 1496 O LYS A 91 18.478 -19.343 8.990 1.00 0.00 O ATOM 1497 CB LYS A 91 19.628 -22.002 10.029 1.00 0.00 C ATOM 1498 CG LYS A 91 20.529 -21.471 11.131 1.00 0.00 C ATOM 1499 CD LYS A 91 21.414 -22.565 11.703 1.00 0.00 C ATOM 1500 CE LYS A 91 21.832 -22.254 13.132 1.00 0.00 C ATOM 1501 NZ LYS A 91 23.103 -22.938 13.499 1.00 0.00 N ATOM 0 H LYS A 91 21.894 -21.616 8.874 1.00 0.00 H new ATOM 0 HA LYS A 91 19.102 -21.686 7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.588 -21.889 10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 91 19.810 -23.070 9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 91 21.151 -20.667 10.738 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.919 -21.042 11.926 1.00 0.00 H new ATOM 0 HD2 LYS A 91 20.881 -23.516 11.677 1.00 0.00 H new ATOM 0 HD3 LYS A 91 22.301 -22.680 11.080 1.00 0.00 H new ATOM 0 HE2 LYS A 91 21.952 -21.177 13.249 1.00 0.00 H new ATOM 0 HE3 LYS A 91 21.042 -22.563 13.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 23.354 -22.701 14.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 22.981 -23.967 13.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 23.863 -22.624 12.862 1.00 0.00 H new ATOM 1515 N ASN A 92 20.699 -19.040 8.803 1.00 0.00 N ATOM 1516 CA ASN A 92 20.623 -17.590 8.940 1.00 0.00 C ATOM 1517 C ASN A 92 20.008 -16.957 7.696 1.00 0.00 C ATOM 1518 O ASN A 92 19.406 -15.886 7.765 1.00 0.00 O ATOM 1519 CB ASN A 92 22.017 -17.007 9.186 1.00 0.00 C ATOM 1520 CG ASN A 92 22.287 -16.758 10.658 1.00 0.00 C ATOM 1521 OD1 ASN A 92 22.480 -15.618 11.080 1.00 0.00 O ATOM 1522 ND2 ASN A 92 22.303 -17.827 11.446 1.00 0.00 N ATOM 0 H ASN A 92 21.644 -19.403 8.679 1.00 0.00 H new ATOM 0 HA ASN A 92 19.985 -17.364 9.794 1.00 0.00 H new ATOM 0 HB2 ASN A 92 22.769 -17.691 8.792 1.00 0.00 H new ATOM 0 HB3 ASN A 92 22.119 -16.071 8.637 1.00 0.00 H new ATOM 0 HD21 ASN A 92 22.481 -17.722 12.445 1.00 0.00 H new ATOM 0 HD22 ASN A 92 22.138 -18.753 11.052 1.00 0.00 H new ATOM 1529 N ALA A 93 20.163 -17.628 6.559 1.00 0.00 N ATOM 1530 CA ALA A 93 19.621 -17.132 5.300 1.00 0.00 C ATOM 1531 C ALA A 93 18.117 -17.374 5.217 1.00 0.00 C ATOM 1532 O ALA A 93 17.631 -18.450 5.567 1.00 0.00 O ATOM 1533 CB ALA A 93 20.329 -17.790 4.125 1.00 0.00 C ATOM 0 H ALA A 93 20.659 -18.516 6.484 1.00 0.00 H new ATOM 0 HA ALA A 93 19.793 -16.056 5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.914 -17.410 3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 93 21.394 -17.562 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.187 -18.870 4.173 1.00 0.00 H new ATOM 1539 N HIS A 94 17.385 -16.367 4.752 1.00 0.00 N ATOM 1540 CA HIS A 94 15.936 -16.471 4.623 1.00 0.00 C ATOM 1541 C HIS A 94 15.479 -16.008 3.243 1.00 0.00 C ATOM 1542 O HIS A 94 15.830 -14.917 2.795 1.00 0.00 O ATOM 1543 CB HIS A 94 15.246 -15.641 5.706 1.00 0.00 C ATOM 1544 CG HIS A 94 15.593 -14.185 5.658 1.00 0.00 C ATOM 1545 ND1 HIS A 94 15.084 -13.321 4.712 1.00 0.00 N ATOM 1546 CD2 HIS A 94 16.404 -13.442 6.447 1.00 0.00 C ATOM 1547 CE1 HIS A 94 15.567 -12.109 4.921 1.00 0.00 C ATOM 1548 NE2 HIS A 94 16.370 -12.155 5.968 1.00 0.00 N ATOM 0 H HIS A 94 17.771 -15.470 4.458 1.00 0.00 H new ATOM 0 HA HIS A 94 15.659 -17.518 4.746 1.00 0.00 H new ATOM 0 HB2 HIS A 94 14.166 -15.752 5.604 1.00 0.00 H new ATOM 0 HB3 HIS A 94 15.517 -16.038 6.684 1.00 0.00 H new ATOM 0 HD1 HIS A 94 14.436 -13.577 3.967 1.00 0.00 H new ATOM 0 HD2 HIS A 94 16.972 -13.795 7.295 1.00 0.00 H new ATOM 0 HE1 HIS A 94 15.343 -11.230 4.335 1.00 0.00 H new ATOM 1556 N GLY A 95 14.694 -16.847 2.573 1.00 0.00 N ATOM 1557 CA GLY A 95 14.202 -16.506 1.250 1.00 0.00 C ATOM 1558 C GLY A 95 14.158 -17.704 0.323 1.00 0.00 C ATOM 1559 O GLY A 95 13.292 -17.791 -0.549 1.00 0.00 O ATOM 0 H GLY A 95 14.390 -17.756 2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.203 -16.080 1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.840 -15.737 0.815 1.00 0.00 H new ATOM 1563 N TRP A 96 15.093 -18.629 0.508 1.00 0.00 N ATOM 1564 CA TRP A 96 15.158 -19.827 -0.322 1.00 0.00 C ATOM 1565 C TRP A 96 14.320 -20.950 0.278 1.00 0.00 C ATOM 1566 O TRP A 96 13.488 -21.548 -0.404 1.00 0.00 O ATOM 1567 CB TRP A 96 16.609 -20.285 -0.480 1.00 0.00 C ATOM 1568 CG TRP A 96 17.252 -20.676 0.816 1.00 0.00 C ATOM 1569 CD1 TRP A 96 17.904 -19.853 1.689 1.00 0.00 C ATOM 1570 CD2 TRP A 96 17.308 -21.990 1.383 1.00 0.00 C ATOM 1571 NE1 TRP A 96 18.361 -20.576 2.765 1.00 0.00 N ATOM 1572 CE2 TRP A 96 18.007 -21.889 2.601 1.00 0.00 C ATOM 1573 CE3 TRP A 96 16.833 -23.241 0.981 1.00 0.00 C ATOM 1574 CZ2 TRP A 96 18.243 -22.992 3.418 1.00 0.00 C ATOM 1575 CZ3 TRP A 96 17.068 -24.335 1.792 1.00 0.00 C ATOM 1576 CH2 TRP A 96 17.767 -24.204 2.999 1.00 0.00 C ATOM 0 H TRP A 96 15.816 -18.573 1.225 1.00 0.00 H new ATOM 0 HA TRP A 96 14.753 -19.581 -1.304 1.00 0.00 H new ATOM 0 HB2 TRP A 96 16.643 -21.133 -1.164 1.00 0.00 H new ATOM 0 HB3 TRP A 96 17.188 -19.483 -0.937 1.00 0.00 H new ATOM 0 HD1 TRP A 96 18.041 -18.790 1.554 1.00 0.00 H new ATOM 0 HE1 TRP A 96 18.880 -20.196 3.557 1.00 0.00 H new ATOM 0 HE3 TRP A 96 16.292 -23.351 0.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 18.782 -22.894 4.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 16.707 -25.307 1.490 1.00 0.00 H new ATOM 0 HH2 TRP A 96 17.933 -25.078 3.611 1.00 0.00 H new ATOM 1587 N GLN A 97 14.544 -21.231 1.558 1.00 0.00 N ATOM 1588 CA GLN A 97 13.808 -22.284 2.248 1.00 0.00 C ATOM 1589 C GLN A 97 12.309 -22.155 1.998 1.00 0.00 C ATOM 1590 O GLN A 97 11.845 -21.149 1.462 1.00 0.00 O ATOM 1591 CB GLN A 97 14.093 -22.233 3.751 1.00 0.00 C ATOM 1592 CG GLN A 97 13.267 -21.194 4.491 1.00 0.00 C ATOM 1593 CD GLN A 97 14.125 -20.168 5.205 1.00 0.00 C ATOM 1594 OE1 GLN A 97 13.841 -18.970 5.169 1.00 0.00 O ATOM 1595 NE2 GLN A 97 15.182 -20.633 5.861 1.00 0.00 N ATOM 0 H GLN A 97 15.228 -20.745 2.137 1.00 0.00 H new ATOM 0 HA GLN A 97 14.142 -23.244 1.854 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.899 -23.215 4.183 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.151 -22.021 3.905 1.00 0.00 H new ATOM 0 HG2 GLN A 97 12.612 -20.685 3.784 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.626 -21.694 5.217 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.380 -21.634 5.865 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.795 -19.990 6.361 1.00 0.00 H new