USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 549 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 57 CYS SG : rot 154:sc= 0.0489 USER MOD Set 1.2: A 60 CYS SG : rot -124:sc= -1.33 USER MOD Set 1.3: A 73 HIS : no HE2:sc= -2.9 K(o=-7.8,f=-13!) USER MOD Set 1.4: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.5: A 78 HIS : no HD1:sc= -3.66! X(o=-7.8!,f=-8.3) USER MOD Set 2.1: A 27 CYS SG : rot 148:sc= -0.348 USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 30 CYS SG : rot -81:sc= -1.39 USER MOD Set 2.4: A 44 HIS : no HE2:sc= -2.73! K(o=-5.4!,f=-4.3) USER MOD Set 2.5: A 48 CYS SG : rot 154:sc= -0.976 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 HIS : no HD1:sc= -5.09! C(o=-5.1!,f=-3.6!) USER MOD Single : A 31 ASN : amide:sc= -1.66 K(o=-1.7,f=-3.3!) USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.0385 USER MOD Single : A 36 LYS NZ :NH3+ -164:sc=-0.00926 (180deg=-0.151) USER MOD Single : A 37 THR OG1 : rot -40:sc= 0.458 USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0519) USER MOD Single : A 43 LYS NZ :NH3+ -132:sc= -0.0188 (180deg=-0.832) USER MOD Single : A 45 MET CE :methyl -114:sc= -1.87 (180deg=-2.17!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0513) USER MOD Single : A 52 GLN : amide:sc=-0.00208 X(o=-0.0021,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -5.08! C(o=-5.1!,f=-23!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 36:sc= 0.185 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc=-0.00728 K(o=-0.0073,f=-0.62) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -157:sc= -0.11 (180deg=-0.641) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -2.294 16.326 -7.382 1.00 0.00 N ATOM 95 CA PRO A 11 -1.507 15.196 -7.885 1.00 0.00 C ATOM 96 C PRO A 11 -0.519 15.614 -8.968 1.00 0.00 C ATOM 97 O PRO A 11 0.146 14.773 -9.572 1.00 0.00 O ATOM 98 CB PRO A 11 -2.567 14.255 -8.462 1.00 0.00 C ATOM 99 CG PRO A 11 -3.712 15.142 -8.811 1.00 0.00 C ATOM 100 CD PRO A 11 -3.706 16.246 -7.790 1.00 0.00 C ATOM 0 HA PRO A 11 -0.896 14.744 -7.103 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.193 13.728 -9.340 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.861 13.497 -7.736 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.603 15.542 -9.819 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.653 14.593 -8.786 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.056 17.187 -8.214 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.356 16.016 -6.946 1.00 0.00 H new ATOM 108 N GLU A 12 -0.428 16.919 -9.208 1.00 0.00 N ATOM 109 CA GLU A 12 0.480 17.447 -10.220 1.00 0.00 C ATOM 110 C GLU A 12 1.727 18.044 -9.574 1.00 0.00 C ATOM 111 O GLU A 12 2.280 19.029 -10.062 1.00 0.00 O ATOM 112 CB GLU A 12 -0.227 18.508 -11.067 1.00 0.00 C ATOM 113 CG GLU A 12 -1.645 18.129 -11.457 1.00 0.00 C ATOM 114 CD GLU A 12 -2.499 19.336 -11.795 1.00 0.00 C ATOM 115 OE1 GLU A 12 -2.442 19.796 -12.954 1.00 0.00 O ATOM 116 OE2 GLU A 12 -3.224 19.819 -10.900 1.00 0.00 O ATOM 0 H GLU A 12 -0.971 17.629 -8.716 1.00 0.00 H new ATOM 0 HA GLU A 12 0.785 16.622 -10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.250 19.447 -10.513 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.355 18.686 -11.972 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.615 17.458 -12.315 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.108 17.578 -10.638 1.00 0.00 H new ATOM 123 N GLU A 13 2.162 17.440 -8.472 1.00 0.00 N ATOM 124 CA GLU A 13 3.343 17.913 -7.759 1.00 0.00 C ATOM 125 C GLU A 13 4.597 17.194 -8.246 1.00 0.00 C ATOM 126 O GLU A 13 5.614 17.825 -8.532 1.00 0.00 O ATOM 127 CB GLU A 13 3.173 17.702 -6.252 1.00 0.00 C ATOM 128 CG GLU A 13 4.396 18.097 -5.442 1.00 0.00 C ATOM 129 CD GLU A 13 4.793 19.546 -5.653 1.00 0.00 C ATOM 130 OE1 GLU A 13 3.889 20.395 -5.792 1.00 0.00 O ATOM 131 OE2 GLU A 13 6.009 19.829 -5.678 1.00 0.00 O ATOM 0 H GLU A 13 1.715 16.624 -8.054 1.00 0.00 H new ATOM 0 HA GLU A 13 3.456 18.978 -7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.316 18.281 -5.907 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.946 16.653 -6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.196 17.929 -4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.231 17.452 -5.714 1.00 0.00 H new ATOM 138 N GLN A 14 4.516 15.870 -8.337 1.00 0.00 N ATOM 139 CA GLN A 14 5.645 15.066 -8.788 1.00 0.00 C ATOM 140 C GLN A 14 5.752 15.081 -10.309 1.00 0.00 C ATOM 141 O GLN A 14 6.849 15.019 -10.864 1.00 0.00 O ATOM 142 CB GLN A 14 5.504 13.626 -8.289 1.00 0.00 C ATOM 143 CG GLN A 14 6.763 12.793 -8.471 1.00 0.00 C ATOM 144 CD GLN A 14 6.889 11.693 -7.436 1.00 0.00 C ATOM 145 OE1 GLN A 14 7.024 11.960 -6.242 1.00 0.00 O ATOM 146 NE2 GLN A 14 6.846 10.445 -7.890 1.00 0.00 N ATOM 0 H GLN A 14 3.681 15.332 -8.105 1.00 0.00 H new ATOM 0 HA GLN A 14 6.555 15.500 -8.374 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.238 13.641 -7.232 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.681 13.146 -8.818 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.761 12.351 -9.467 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.636 13.443 -8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.733 10.269 -8.888 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.926 9.663 -7.240 1.00 0.00 H new ATOM 155 N TRP A 15 4.607 15.165 -10.976 1.00 0.00 N ATOM 156 CA TRP A 15 4.572 15.188 -12.434 1.00 0.00 C ATOM 157 C TRP A 15 5.039 16.538 -12.968 1.00 0.00 C ATOM 158 O TRP A 15 5.753 16.605 -13.968 1.00 0.00 O ATOM 159 CB TRP A 15 3.158 14.890 -12.935 1.00 0.00 C ATOM 160 CG TRP A 15 2.728 13.475 -12.692 1.00 0.00 C ATOM 161 CD1 TRP A 15 3.529 12.369 -12.655 1.00 0.00 C ATOM 162 CD2 TRP A 15 1.394 13.014 -12.453 1.00 0.00 C ATOM 163 NE1 TRP A 15 2.773 11.249 -12.408 1.00 0.00 N ATOM 164 CE2 TRP A 15 1.460 11.617 -12.279 1.00 0.00 C ATOM 165 CE3 TRP A 15 0.150 13.644 -12.367 1.00 0.00 C ATOM 166 CZ2 TRP A 15 0.330 10.844 -12.026 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -0.971 12.876 -12.116 1.00 0.00 C ATOM 168 CH2 TRP A 15 -0.875 11.488 -11.947 1.00 0.00 C ATOM 0 H TRP A 15 3.691 15.218 -10.531 1.00 0.00 H new ATOM 0 HA TRP A 15 5.250 14.418 -12.801 1.00 0.00 H new ATOM 0 HB2 TRP A 15 2.457 15.565 -12.444 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.107 15.099 -14.004 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.599 12.374 -12.799 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.132 10.297 -12.333 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.066 14.713 -12.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.402 9.774 -11.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -1.937 13.353 -12.049 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.769 10.915 -11.751 1.00 0.00 H new ATOM 179 N GLN A 16 4.633 17.609 -12.294 1.00 0.00 N ATOM 180 CA GLN A 16 5.011 18.957 -12.703 1.00 0.00 C ATOM 181 C GLN A 16 6.497 19.202 -12.462 1.00 0.00 C ATOM 182 O GLN A 16 7.185 19.779 -13.304 1.00 0.00 O ATOM 183 CB GLN A 16 4.181 19.994 -11.945 1.00 0.00 C ATOM 184 CG GLN A 16 4.490 21.429 -12.342 1.00 0.00 C ATOM 185 CD GLN A 16 3.405 22.398 -11.918 1.00 0.00 C ATOM 186 OE1 GLN A 16 3.241 22.684 -10.731 1.00 0.00 O ATOM 187 NE2 GLN A 16 2.656 22.911 -12.888 1.00 0.00 N ATOM 0 H GLN A 16 4.043 17.570 -11.463 1.00 0.00 H new ATOM 0 HA GLN A 16 4.814 19.055 -13.771 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.123 19.798 -12.119 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.356 19.876 -10.876 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.437 21.730 -11.893 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.618 21.483 -13.423 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.827 22.646 -13.858 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.910 23.570 -12.663 1.00 0.00 H new ATOM 196 N ARG A 17 6.984 18.761 -11.307 1.00 0.00 N ATOM 197 CA ARG A 17 8.388 18.934 -10.954 1.00 0.00 C ATOM 198 C ARG A 17 9.287 18.690 -12.163 1.00 0.00 C ATOM 199 O ARG A 17 10.360 19.280 -12.281 1.00 0.00 O ATOM 200 CB ARG A 17 8.772 17.983 -9.820 1.00 0.00 C ATOM 201 CG ARG A 17 9.296 16.640 -10.302 1.00 0.00 C ATOM 202 CD ARG A 17 9.352 15.625 -9.171 1.00 0.00 C ATOM 203 NE ARG A 17 10.657 15.606 -8.515 1.00 0.00 N ATOM 204 CZ ARG A 17 11.724 14.996 -9.019 1.00 0.00 C ATOM 205 NH1 ARG A 17 11.640 14.357 -10.178 1.00 0.00 N ATOM 206 NH2 ARG A 17 12.877 15.023 -8.363 1.00 0.00 N ATOM 0 H ARG A 17 6.427 18.281 -10.600 1.00 0.00 H new ATOM 0 HA ARG A 17 8.528 19.962 -10.620 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.532 18.459 -9.200 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.901 17.817 -9.186 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.655 16.263 -11.099 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.292 16.768 -10.727 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.581 15.858 -8.437 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.129 14.633 -9.563 1.00 0.00 H new ATOM 0 HE ARG A 17 10.754 16.087 -7.621 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.755 14.333 -10.684 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.461 13.889 -10.563 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.945 15.512 -7.471 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.696 14.554 -8.751 1.00 0.00 H new ATOM 220 N ALA A 18 8.840 17.815 -13.059 1.00 0.00 N ATOM 221 CA ALA A 18 9.602 17.494 -14.259 1.00 0.00 C ATOM 222 C ALA A 18 9.190 18.385 -15.426 1.00 0.00 C ATOM 223 O ALA A 18 10.028 18.808 -16.222 1.00 0.00 O ATOM 224 CB ALA A 18 9.421 16.028 -14.622 1.00 0.00 C ATOM 0 H ALA A 18 7.954 17.316 -12.976 1.00 0.00 H new ATOM 0 HA ALA A 18 10.656 17.678 -14.050 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.996 15.802 -15.520 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.772 15.404 -13.800 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.366 15.826 -14.806 1.00 0.00 H new ATOM 230 N ILE A 19 7.894 18.665 -15.522 1.00 0.00 N ATOM 231 CA ILE A 19 7.372 19.506 -16.592 1.00 0.00 C ATOM 232 C ILE A 19 8.056 20.869 -16.603 1.00 0.00 C ATOM 233 O ILE A 19 8.344 21.422 -17.665 1.00 0.00 O ATOM 234 CB ILE A 19 5.851 19.708 -16.457 1.00 0.00 C ATOM 235 CG1 ILE A 19 5.124 18.366 -16.571 1.00 0.00 C ATOM 236 CG2 ILE A 19 5.350 20.679 -17.516 1.00 0.00 C ATOM 237 CD1 ILE A 19 3.646 18.452 -16.263 1.00 0.00 C ATOM 0 H ILE A 19 7.187 18.322 -14.872 1.00 0.00 H new ATOM 0 HA ILE A 19 7.580 18.990 -17.530 1.00 0.00 H new ATOM 0 HB ILE A 19 5.641 20.131 -15.475 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.254 17.976 -17.580 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.588 17.652 -15.891 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.274 20.812 -17.408 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.848 21.641 -17.393 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.569 20.281 -18.507 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.195 17.465 -16.364 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.507 18.812 -15.244 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.169 19.141 -16.960 1.00 0.00 H new ATOM 249 N HIS A 20 8.314 21.405 -15.415 1.00 0.00 N ATOM 250 CA HIS A 20 8.967 22.703 -15.288 1.00 0.00 C ATOM 251 C HIS A 20 10.485 22.552 -15.310 1.00 0.00 C ATOM 252 O HIS A 20 11.198 23.434 -15.789 1.00 0.00 O ATOM 253 CB HIS A 20 8.531 23.393 -13.995 1.00 0.00 C ATOM 254 CG HIS A 20 9.388 23.051 -12.815 1.00 0.00 C ATOM 255 ND1 HIS A 20 10.274 23.941 -12.246 1.00 0.00 N ATOM 256 CD2 HIS A 20 9.489 21.909 -12.096 1.00 0.00 C ATOM 257 CE1 HIS A 20 10.885 23.361 -11.228 1.00 0.00 C ATOM 258 NE2 HIS A 20 10.426 22.127 -11.116 1.00 0.00 N ATOM 0 H HIS A 20 8.081 20.961 -14.527 1.00 0.00 H new ATOM 0 HA HIS A 20 8.668 23.317 -16.138 1.00 0.00 H new ATOM 0 HB2 HIS A 20 8.548 24.472 -14.145 1.00 0.00 H new ATOM 0 HB3 HIS A 20 7.499 23.118 -13.776 1.00 0.00 H new ATOM 0 HD2 HIS A 20 8.936 20.996 -12.262 1.00 0.00 H new ATOM 0 HE1 HIS A 20 11.632 23.818 -10.596 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.720 21.447 -10.415 1.00 0.00 H new ATOM 266 N GLU A 21 10.972 21.431 -14.789 1.00 0.00 N ATOM 267 CA GLU A 21 12.405 21.167 -14.748 1.00 0.00 C ATOM 268 C GLU A 21 12.960 20.955 -16.154 1.00 0.00 C ATOM 269 O GLU A 21 13.868 21.663 -16.588 1.00 0.00 O ATOM 270 CB GLU A 21 12.696 19.938 -13.883 1.00 0.00 C ATOM 271 CG GLU A 21 12.914 20.265 -12.415 1.00 0.00 C ATOM 272 CD GLU A 21 14.250 20.934 -12.159 1.00 0.00 C ATOM 273 OE1 GLU A 21 14.617 21.845 -12.931 1.00 0.00 O ATOM 274 OE2 GLU A 21 14.930 20.547 -11.185 1.00 0.00 O ATOM 0 H GLU A 21 10.395 20.691 -14.389 1.00 0.00 H new ATOM 0 HA GLU A 21 12.895 22.036 -14.309 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.866 19.237 -13.971 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.581 19.433 -14.270 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.113 20.918 -12.069 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.853 19.348 -11.829 1.00 0.00 H new ATOM 281 N ARG A 22 12.406 19.974 -16.860 1.00 0.00 N ATOM 282 CA ARG A 22 12.846 19.667 -18.216 1.00 0.00 C ATOM 283 C ARG A 22 11.899 20.277 -19.246 1.00 0.00 C ATOM 284 O ARG A 22 12.245 21.241 -19.928 1.00 0.00 O ATOM 285 CB ARG A 22 12.928 18.153 -18.418 1.00 0.00 C ATOM 286 CG ARG A 22 14.214 17.538 -17.889 1.00 0.00 C ATOM 287 CD ARG A 22 15.426 18.028 -18.665 1.00 0.00 C ATOM 288 NE ARG A 22 16.646 17.325 -18.277 1.00 0.00 N ATOM 289 CZ ARG A 22 17.015 16.157 -18.790 1.00 0.00 C ATOM 290 NH1 ARG A 22 16.264 15.565 -19.708 1.00 0.00 N ATOM 291 NH2 ARG A 22 18.139 15.579 -18.386 1.00 0.00 N ATOM 0 H ARG A 22 11.652 19.379 -16.516 1.00 0.00 H new ATOM 0 HA ARG A 22 13.836 20.100 -18.356 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.079 17.682 -17.922 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.839 17.931 -19.482 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.331 17.787 -16.834 1.00 0.00 H new ATOM 0 HG3 ARG A 22 14.153 16.452 -17.955 1.00 0.00 H new ATOM 0 HD2 ARG A 22 15.253 17.891 -19.732 1.00 0.00 H new ATOM 0 HD3 ARG A 22 15.555 19.097 -18.498 1.00 0.00 H new ATOM 0 HE ARG A 22 17.247 17.754 -17.574 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.400 16.007 -20.022 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.550 14.668 -20.100 1.00 0.00 H new ATOM 0 HH21 ARG A 22 18.720 16.032 -17.681 1.00 0.00 H new ATOM 0 HH22 ARG A 22 18.422 14.682 -18.781 1.00 0.00 H new ATOM 305 N GLY A 23 10.702 19.709 -19.351 1.00 0.00 N ATOM 306 CA GLY A 23 9.724 20.209 -20.300 1.00 0.00 C ATOM 307 C GLY A 23 8.338 19.646 -20.056 1.00 0.00 C ATOM 308 O GLY A 23 7.404 20.388 -19.755 1.00 0.00 O ATOM 0 H GLY A 23 10.392 18.911 -18.796 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.687 21.297 -20.239 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.042 19.957 -21.312 1.00 0.00 H new ATOM 312 N GLU A 24 8.204 18.330 -20.187 1.00 0.00 N ATOM 313 CA GLU A 24 6.921 17.669 -19.980 1.00 0.00 C ATOM 314 C GLU A 24 7.106 16.330 -19.271 1.00 0.00 C ATOM 315 O GLU A 24 8.209 15.785 -19.230 1.00 0.00 O ATOM 316 CB GLU A 24 6.211 17.455 -21.319 1.00 0.00 C ATOM 317 CG GLU A 24 7.010 16.619 -22.305 1.00 0.00 C ATOM 318 CD GLU A 24 8.058 17.429 -23.041 1.00 0.00 C ATOM 319 OE1 GLU A 24 7.933 18.671 -23.076 1.00 0.00 O ATOM 320 OE2 GLU A 24 9.005 16.821 -23.584 1.00 0.00 O ATOM 0 H GLU A 24 8.968 17.701 -20.435 1.00 0.00 H new ATOM 0 HA GLU A 24 6.308 18.313 -19.349 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.252 16.970 -21.138 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.998 18.426 -21.767 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.496 15.802 -21.772 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.330 16.169 -23.028 1.00 0.00 H new ATOM 327 N ALA A 25 6.019 15.807 -18.713 1.00 0.00 N ATOM 328 CA ALA A 25 6.061 14.533 -18.007 1.00 0.00 C ATOM 329 C ALA A 25 5.263 13.467 -18.750 1.00 0.00 C ATOM 330 O ALA A 25 4.090 13.236 -18.455 1.00 0.00 O ATOM 331 CB ALA A 25 5.532 14.698 -16.590 1.00 0.00 C ATOM 0 H ALA A 25 5.099 16.246 -18.736 1.00 0.00 H new ATOM 0 HA ALA A 25 7.100 14.206 -17.960 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.569 13.739 -16.074 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.146 15.422 -16.054 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.502 15.052 -16.625 1.00 0.00 H new ATOM 337 N VAL A 26 5.906 12.821 -19.718 1.00 0.00 N ATOM 338 CA VAL A 26 5.257 11.779 -20.504 1.00 0.00 C ATOM 339 C VAL A 26 4.753 10.650 -19.611 1.00 0.00 C ATOM 340 O VAL A 26 5.195 10.501 -18.471 1.00 0.00 O ATOM 341 CB VAL A 26 6.213 11.194 -21.560 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.635 12.269 -22.551 1.00 0.00 C ATOM 343 CG2 VAL A 26 7.427 10.568 -20.891 1.00 0.00 C ATOM 0 H VAL A 26 6.876 13.001 -19.976 1.00 0.00 H new ATOM 0 HA VAL A 26 4.411 12.245 -21.009 1.00 0.00 H new ATOM 0 HB VAL A 26 5.687 10.413 -22.109 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.310 11.838 -23.290 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.753 12.667 -23.054 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.144 13.074 -22.020 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.092 10.160 -21.652 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.957 11.327 -20.316 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.103 9.768 -20.225 1.00 0.00 H new ATOM 353 N CYS A 27 3.826 9.856 -20.136 1.00 0.00 N ATOM 354 CA CYS A 27 3.261 8.740 -19.388 1.00 0.00 C ATOM 355 C CYS A 27 4.363 7.828 -18.856 1.00 0.00 C ATOM 356 O CYS A 27 5.241 7.379 -19.593 1.00 0.00 O ATOM 357 CB CYS A 27 2.303 7.939 -20.272 1.00 0.00 C ATOM 358 SG CYS A 27 1.506 6.537 -19.424 1.00 0.00 S ATOM 0 H CYS A 27 3.450 9.965 -21.078 1.00 0.00 H new ATOM 0 HA CYS A 27 2.709 9.146 -18.540 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.530 8.608 -20.651 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.851 7.563 -21.136 1.00 0.00 H new ATOM 0 HG CYS A 27 0.316 6.353 -19.914 1.00 0.00 H new ATOM 363 N PRO A 28 4.317 7.547 -17.545 1.00 0.00 N ATOM 364 CA PRO A 28 5.303 6.686 -16.885 1.00 0.00 C ATOM 365 C PRO A 28 5.170 5.226 -17.303 1.00 0.00 C ATOM 366 O PRO A 28 5.872 4.355 -16.788 1.00 0.00 O ATOM 367 CB PRO A 28 4.978 6.849 -15.398 1.00 0.00 C ATOM 368 CG PRO A 28 3.539 7.233 -15.366 1.00 0.00 C ATOM 369 CD PRO A 28 3.299 8.048 -16.607 1.00 0.00 C ATOM 0 HA PRO A 28 6.325 6.963 -17.145 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.153 5.923 -14.850 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.603 7.615 -14.938 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.900 6.350 -15.350 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.309 7.810 -14.470 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.290 7.904 -16.994 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.418 9.115 -16.417 1.00 0.00 H new ATOM 377 N THR A 29 4.264 4.964 -18.240 1.00 0.00 N ATOM 378 CA THR A 29 4.038 3.608 -18.726 1.00 0.00 C ATOM 379 C THR A 29 4.578 3.434 -20.141 1.00 0.00 C ATOM 380 O THR A 29 5.469 2.618 -20.380 1.00 0.00 O ATOM 381 CB THR A 29 2.540 3.250 -18.714 1.00 0.00 C ATOM 382 OG1 THR A 29 2.013 3.392 -17.390 1.00 0.00 O ATOM 383 CG2 THR A 29 2.320 1.826 -19.202 1.00 0.00 C ATOM 0 H THR A 29 3.675 5.673 -18.677 1.00 0.00 H new ATOM 0 HA THR A 29 4.570 2.938 -18.051 1.00 0.00 H new ATOM 0 HB THR A 29 2.021 3.932 -19.387 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.060 3.164 -17.391 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.255 1.596 -19.185 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.696 1.728 -20.220 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.852 1.132 -18.551 1.00 0.00 H new ATOM 391 N CYS A 30 4.036 4.207 -21.076 1.00 0.00 N ATOM 392 CA CYS A 30 4.464 4.139 -22.468 1.00 0.00 C ATOM 393 C CYS A 30 5.206 5.410 -22.871 1.00 0.00 C ATOM 394 O CYS A 30 5.918 5.433 -23.874 1.00 0.00 O ATOM 395 CB CYS A 30 3.257 3.927 -23.384 1.00 0.00 C ATOM 396 SG CYS A 30 1.746 4.782 -22.834 1.00 0.00 S ATOM 0 H CYS A 30 3.299 4.888 -20.895 1.00 0.00 H new ATOM 0 HA CYS A 30 5.144 3.294 -22.573 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.511 4.270 -24.387 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.052 2.859 -23.455 1.00 0.00 H new ATOM 0 HG CYS A 30 1.161 4.079 -21.910 1.00 0.00 H new ATOM 401 N ASN A 31 5.032 6.465 -22.083 1.00 0.00 N ATOM 402 CA ASN A 31 5.685 7.740 -22.357 1.00 0.00 C ATOM 403 C ASN A 31 5.162 8.351 -23.654 1.00 0.00 C ATOM 404 O ASN A 31 5.937 8.795 -24.501 1.00 0.00 O ATOM 405 CB ASN A 31 7.201 7.553 -22.444 1.00 0.00 C ATOM 406 CG ASN A 31 7.778 6.921 -21.192 1.00 0.00 C ATOM 407 OD1 ASN A 31 8.284 7.615 -20.310 1.00 0.00 O ATOM 408 ND2 ASN A 31 7.703 5.598 -21.108 1.00 0.00 N ATOM 0 H ASN A 31 4.444 6.463 -21.249 1.00 0.00 H new ATOM 0 HA ASN A 31 5.456 8.420 -21.537 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.439 6.929 -23.305 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.675 8.520 -22.611 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.073 5.117 -20.288 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.275 5.062 -21.863 1.00 0.00 H new ATOM 415 N VAL A 32 3.841 8.369 -23.803 1.00 0.00 N ATOM 416 CA VAL A 32 3.214 8.926 -24.995 1.00 0.00 C ATOM 417 C VAL A 32 1.872 9.569 -24.661 1.00 0.00 C ATOM 418 O VAL A 32 0.885 8.878 -24.413 1.00 0.00 O ATOM 419 CB VAL A 32 2.999 7.847 -26.073 1.00 0.00 C ATOM 420 CG1 VAL A 32 4.331 7.402 -26.657 1.00 0.00 C ATOM 421 CG2 VAL A 32 2.238 6.663 -25.496 1.00 0.00 C ATOM 0 H VAL A 32 3.185 8.004 -23.113 1.00 0.00 H new ATOM 0 HA VAL A 32 3.892 9.686 -25.383 1.00 0.00 H new ATOM 0 HB VAL A 32 2.402 8.276 -26.878 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.159 6.640 -27.417 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.834 8.257 -27.109 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.956 6.990 -25.865 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.095 5.910 -26.271 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.806 6.232 -24.672 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.267 6.998 -25.131 1.00 0.00 H new ATOM 431 N VAL A 33 1.844 10.898 -24.657 1.00 0.00 N ATOM 432 CA VAL A 33 0.624 11.636 -24.354 1.00 0.00 C ATOM 433 C VAL A 33 0.752 13.100 -24.760 1.00 0.00 C ATOM 434 O VAL A 33 1.751 13.507 -25.353 1.00 0.00 O ATOM 435 CB VAL A 33 0.277 11.558 -22.856 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.673 10.401 -22.587 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.543 11.424 -22.023 1.00 0.00 C ATOM 0 H VAL A 33 2.653 11.485 -24.860 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.177 11.171 -24.929 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.224 12.482 -22.568 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.907 10.362 -21.523 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.592 10.545 -23.155 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.202 9.466 -22.890 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.280 11.370 -20.967 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.074 10.517 -22.311 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.184 12.289 -22.193 1.00 0.00 H new ATOM 447 N THR A 34 -0.267 13.890 -24.435 1.00 0.00 N ATOM 448 CA THR A 34 -0.270 15.309 -24.765 1.00 0.00 C ATOM 449 C THR A 34 1.055 15.964 -24.389 1.00 0.00 C ATOM 450 O THR A 34 1.863 15.380 -23.666 1.00 0.00 O ATOM 451 CB THR A 34 -1.416 16.050 -24.052 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.556 15.191 -23.934 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.802 17.311 -24.812 1.00 0.00 C ATOM 0 H THR A 34 -1.101 13.570 -23.943 1.00 0.00 H new ATOM 0 HA THR A 34 -0.416 15.382 -25.843 1.00 0.00 H new ATOM 0 HB THR A 34 -1.071 16.335 -23.058 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.327 15.711 -23.626 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.613 17.817 -24.289 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.941 17.976 -24.875 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.129 17.044 -25.817 1.00 0.00 H new ATOM 461 N ARG A 35 1.271 17.179 -24.882 1.00 0.00 N ATOM 462 CA ARG A 35 2.498 17.912 -24.598 1.00 0.00 C ATOM 463 C ARG A 35 2.618 18.213 -23.106 1.00 0.00 C ATOM 464 O ARG A 35 3.658 17.970 -22.494 1.00 0.00 O ATOM 465 CB ARG A 35 2.535 19.216 -25.396 1.00 0.00 C ATOM 466 CG ARG A 35 3.897 19.891 -25.397 1.00 0.00 C ATOM 467 CD ARG A 35 4.096 20.743 -26.641 1.00 0.00 C ATOM 468 NE ARG A 35 5.151 21.737 -26.461 1.00 0.00 N ATOM 469 CZ ARG A 35 5.820 22.289 -27.467 1.00 0.00 C ATOM 470 NH1 ARG A 35 5.544 21.947 -28.718 1.00 0.00 N ATOM 471 NH2 ARG A 35 6.767 23.186 -27.223 1.00 0.00 N ATOM 0 H ARG A 35 0.612 17.677 -25.480 1.00 0.00 H new ATOM 0 HA ARG A 35 3.341 17.288 -24.895 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.240 19.011 -26.425 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.798 19.905 -24.984 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.996 20.514 -24.508 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.679 19.134 -25.344 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.344 20.100 -27.485 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.162 21.247 -26.888 1.00 0.00 H new ATOM 0 HE ARG A 35 5.387 22.023 -25.511 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.816 21.258 -28.910 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.059 22.373 -29.489 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.982 23.452 -26.262 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.280 23.609 -27.996 1.00 0.00 H new ATOM 485 N LYS A 36 1.547 18.744 -22.527 1.00 0.00 N ATOM 486 CA LYS A 36 1.530 19.078 -21.108 1.00 0.00 C ATOM 487 C LYS A 36 1.506 17.815 -20.252 1.00 0.00 C ATOM 488 O LYS A 36 1.864 17.844 -19.074 1.00 0.00 O ATOM 489 CB LYS A 36 0.315 19.950 -20.783 1.00 0.00 C ATOM 490 CG LYS A 36 0.524 21.423 -21.090 1.00 0.00 C ATOM 491 CD LYS A 36 -0.269 22.308 -20.143 1.00 0.00 C ATOM 492 CE LYS A 36 -1.737 22.371 -20.537 1.00 0.00 C ATOM 493 NZ LYS A 36 -1.945 23.179 -21.771 1.00 0.00 N ATOM 0 H LYS A 36 0.678 18.953 -23.019 1.00 0.00 H new ATOM 0 HA LYS A 36 2.440 19.633 -20.880 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.543 19.588 -21.349 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.071 19.839 -19.727 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.584 21.665 -21.013 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.224 21.628 -22.118 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.180 21.926 -19.126 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.153 23.313 -20.144 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.114 21.361 -20.696 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.315 22.802 -19.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.951 23.427 -21.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.378 24.049 -21.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.652 22.626 -22.602 1.00 0.00 H new ATOM 507 N THR A 37 1.083 16.707 -20.852 1.00 0.00 N ATOM 508 CA THR A 37 1.013 15.434 -20.145 1.00 0.00 C ATOM 509 C THR A 37 0.272 15.580 -18.821 1.00 0.00 C ATOM 510 O THR A 37 0.690 15.032 -17.801 1.00 0.00 O ATOM 511 CB THR A 37 2.419 14.864 -19.874 1.00 0.00 C ATOM 512 OG1 THR A 37 3.025 15.557 -18.777 1.00 0.00 O ATOM 513 CG2 THR A 37 3.300 14.987 -21.108 1.00 0.00 C ATOM 0 H THR A 37 0.784 16.665 -21.826 1.00 0.00 H new ATOM 0 HA THR A 37 0.467 14.744 -20.789 1.00 0.00 H new ATOM 0 HB THR A 37 2.317 13.808 -19.624 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.825 16.514 -18.844 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.287 14.578 -20.892 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.850 14.434 -21.933 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.395 16.037 -21.384 1.00 0.00 H new ATOM 521 N LEU A 38 -0.829 16.323 -18.844 1.00 0.00 N ATOM 522 CA LEU A 38 -1.630 16.541 -17.644 1.00 0.00 C ATOM 523 C LEU A 38 -3.114 16.343 -17.937 1.00 0.00 C ATOM 524 O LEU A 38 -3.778 15.524 -17.303 1.00 0.00 O ATOM 525 CB LEU A 38 -1.389 17.949 -17.096 1.00 0.00 C ATOM 526 CG LEU A 38 -0.363 18.063 -15.968 1.00 0.00 C ATOM 527 CD1 LEU A 38 0.259 19.451 -15.951 1.00 0.00 C ATOM 528 CD2 LEU A 38 -1.009 17.750 -14.626 1.00 0.00 C ATOM 0 H LEU A 38 -1.188 16.785 -19.680 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.326 15.810 -16.895 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.067 18.587 -17.919 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.339 18.345 -16.738 1.00 0.00 H new ATOM 0 HG LEU A 38 0.428 17.335 -16.147 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.987 19.514 -15.142 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.757 19.638 -16.902 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.520 20.197 -15.797 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.264 17.836 -13.835 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.820 18.454 -14.439 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.406 16.735 -14.641 1.00 0.00 H new ATOM 540 N VAL A 39 -3.627 17.099 -18.903 1.00 0.00 N ATOM 541 CA VAL A 39 -5.031 17.005 -19.282 1.00 0.00 C ATOM 542 C VAL A 39 -5.335 15.661 -19.936 1.00 0.00 C ATOM 543 O VAL A 39 -6.343 15.024 -19.631 1.00 0.00 O ATOM 544 CB VAL A 39 -5.429 18.135 -20.249 1.00 0.00 C ATOM 545 CG1 VAL A 39 -5.328 19.488 -19.560 1.00 0.00 C ATOM 546 CG2 VAL A 39 -4.560 18.098 -21.497 1.00 0.00 C ATOM 0 H VAL A 39 -3.091 17.783 -19.437 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.613 17.100 -18.365 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.466 17.984 -20.550 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.613 20.274 -20.259 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.996 19.508 -18.699 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.303 19.652 -19.228 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.855 18.903 -22.170 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.514 18.224 -21.216 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.687 17.140 -22.001 1.00 0.00 H new ATOM 556 N GLY A 40 -4.456 15.235 -20.837 1.00 0.00 N ATOM 557 CA GLY A 40 -4.647 13.969 -21.521 1.00 0.00 C ATOM 558 C GLY A 40 -4.038 12.805 -20.765 1.00 0.00 C ATOM 559 O GLY A 40 -4.521 11.676 -20.856 1.00 0.00 O ATOM 0 H GLY A 40 -3.614 15.744 -21.106 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.714 13.791 -21.659 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.203 14.026 -22.515 1.00 0.00 H new ATOM 563 N LEU A 41 -2.973 13.078 -20.019 1.00 0.00 N ATOM 564 CA LEU A 41 -2.295 12.044 -19.246 1.00 0.00 C ATOM 565 C LEU A 41 -3.257 11.376 -18.269 1.00 0.00 C ATOM 566 O LEU A 41 -3.212 10.162 -18.068 1.00 0.00 O ATOM 567 CB LEU A 41 -1.111 12.643 -18.485 1.00 0.00 C ATOM 568 CG LEU A 41 -0.602 11.833 -17.291 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.431 10.812 -17.741 1.00 0.00 C ATOM 570 CD2 LEU A 41 -0.017 12.756 -16.232 1.00 0.00 C ATOM 0 H LEU A 41 -2.561 14.007 -19.933 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.928 11.288 -19.940 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.286 12.779 -19.185 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.396 13.634 -18.132 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.444 11.298 -16.853 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.782 10.245 -16.879 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.020 10.132 -18.463 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.273 11.326 -18.204 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.340 12.163 -15.390 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.814 13.318 -16.658 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.785 13.448 -15.888 1.00 0.00 H new ATOM 582 N LYS A 42 -4.129 12.176 -17.665 1.00 0.00 N ATOM 583 CA LYS A 42 -5.105 11.663 -16.711 1.00 0.00 C ATOM 584 C LYS A 42 -6.185 10.852 -17.420 1.00 0.00 C ATOM 585 O LYS A 42 -6.618 9.810 -16.927 1.00 0.00 O ATOM 586 CB LYS A 42 -5.746 12.817 -15.936 1.00 0.00 C ATOM 587 CG LYS A 42 -4.784 13.532 -15.003 1.00 0.00 C ATOM 588 CD LYS A 42 -5.307 14.903 -14.607 1.00 0.00 C ATOM 589 CE LYS A 42 -6.538 14.795 -13.721 1.00 0.00 C ATOM 590 NZ LYS A 42 -6.196 14.321 -12.351 1.00 0.00 N ATOM 0 H LYS A 42 -4.180 13.183 -17.819 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.584 11.009 -16.012 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.154 13.537 -16.645 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.584 12.432 -15.355 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.627 12.929 -14.109 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.815 13.638 -15.490 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.527 15.454 -14.082 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.551 15.473 -15.503 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.026 15.768 -13.657 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.253 14.109 -14.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.035 14.389 -11.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.880 13.331 -12.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.434 14.911 -11.960 1.00 0.00 H new ATOM 604 N LYS A 43 -6.615 11.335 -18.581 1.00 0.00 N ATOM 605 CA LYS A 43 -7.642 10.654 -19.360 1.00 0.00 C ATOM 606 C LYS A 43 -7.050 9.476 -20.127 1.00 0.00 C ATOM 607 O LYS A 43 -7.769 8.559 -20.528 1.00 0.00 O ATOM 608 CB LYS A 43 -8.303 11.631 -20.335 1.00 0.00 C ATOM 609 CG LYS A 43 -8.755 12.927 -19.685 1.00 0.00 C ATOM 610 CD LYS A 43 -9.568 13.778 -20.645 1.00 0.00 C ATOM 611 CE LYS A 43 -8.686 14.422 -21.704 1.00 0.00 C ATOM 612 NZ LYS A 43 -8.592 13.584 -22.932 1.00 0.00 N ATOM 0 H LYS A 43 -6.268 12.196 -19.003 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.395 10.274 -18.670 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.601 11.862 -21.136 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.164 11.146 -20.795 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.352 12.703 -18.801 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.884 13.489 -19.347 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.326 13.161 -21.128 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.095 14.553 -20.089 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.086 15.402 -21.963 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.688 14.583 -21.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.596 13.495 -23.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.982 12.640 -22.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.132 14.031 -23.700 1.00 0.00 H new ATOM 626 N HIS A 44 -5.736 9.505 -20.328 1.00 0.00 N ATOM 627 CA HIS A 44 -5.048 8.438 -21.045 1.00 0.00 C ATOM 628 C HIS A 44 -4.607 7.336 -20.087 1.00 0.00 C ATOM 629 O HIS A 44 -4.685 6.151 -20.411 1.00 0.00 O ATOM 630 CB HIS A 44 -3.836 8.996 -21.792 1.00 0.00 C ATOM 631 CG HIS A 44 -2.745 7.991 -21.998 1.00 0.00 C ATOM 632 ND1 HIS A 44 -2.391 7.509 -23.240 1.00 0.00 N ATOM 633 CD2 HIS A 44 -1.927 7.378 -21.111 1.00 0.00 C ATOM 634 CE1 HIS A 44 -1.403 6.641 -23.108 1.00 0.00 C ATOM 635 NE2 HIS A 44 -1.103 6.544 -21.826 1.00 0.00 N ATOM 0 H HIS A 44 -5.127 10.256 -20.004 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.745 8.011 -21.766 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.159 9.373 -22.762 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.437 9.845 -21.237 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -2.824 7.780 -24.123 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.923 7.519 -20.040 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.923 6.103 -23.912 1.00 0.00 H new ATOM 643 N MET A 45 -4.143 7.735 -18.907 1.00 0.00 N ATOM 644 CA MET A 45 -3.689 6.780 -17.902 1.00 0.00 C ATOM 645 C MET A 45 -4.828 5.860 -17.474 1.00 0.00 C ATOM 646 O MET A 45 -4.594 4.762 -16.971 1.00 0.00 O ATOM 647 CB MET A 45 -3.127 7.517 -16.685 1.00 0.00 C ATOM 648 CG MET A 45 -4.199 8.123 -15.793 1.00 0.00 C ATOM 649 SD MET A 45 -3.597 8.485 -14.132 1.00 0.00 S ATOM 650 CE MET A 45 -2.119 9.425 -14.505 1.00 0.00 C ATOM 0 H MET A 45 -4.071 8.712 -18.623 1.00 0.00 H new ATOM 0 HA MET A 45 -2.901 6.171 -18.344 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.525 6.824 -16.097 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.460 8.308 -17.026 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.570 9.041 -16.249 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.043 7.436 -15.728 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.241 8.866 -14.181 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.061 9.601 -15.579 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.154 10.381 -13.982 1.00 0.00 H new ATOM 660 N GLU A 46 -6.060 6.317 -17.675 1.00 0.00 N ATOM 661 CA GLU A 46 -7.234 5.534 -17.308 1.00 0.00 C ATOM 662 C GLU A 46 -7.389 4.324 -18.223 1.00 0.00 C ATOM 663 O GLU A 46 -7.845 3.263 -17.796 1.00 0.00 O ATOM 664 CB GLU A 46 -8.493 6.401 -17.373 1.00 0.00 C ATOM 665 CG GLU A 46 -9.183 6.372 -18.726 1.00 0.00 C ATOM 666 CD GLU A 46 -10.202 5.254 -18.838 1.00 0.00 C ATOM 667 OE1 GLU A 46 -10.042 4.233 -18.137 1.00 0.00 O ATOM 668 OE2 GLU A 46 -11.159 5.401 -19.626 1.00 0.00 O ATOM 0 H GLU A 46 -6.271 7.225 -18.090 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.098 5.180 -16.286 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.195 6.065 -16.609 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.228 7.430 -17.132 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.678 7.328 -18.898 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.434 6.255 -19.509 1.00 0.00 H new ATOM 675 N VAL A 47 -7.007 4.491 -19.485 1.00 0.00 N ATOM 676 CA VAL A 47 -7.102 3.412 -20.462 1.00 0.00 C ATOM 677 C VAL A 47 -5.753 2.731 -20.662 1.00 0.00 C ATOM 678 O VAL A 47 -5.685 1.573 -21.076 1.00 0.00 O ATOM 679 CB VAL A 47 -7.610 3.929 -21.821 1.00 0.00 C ATOM 680 CG1 VAL A 47 -9.057 4.385 -21.712 1.00 0.00 C ATOM 681 CG2 VAL A 47 -6.724 5.058 -22.327 1.00 0.00 C ATOM 0 H VAL A 47 -6.629 5.363 -19.855 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.815 2.689 -20.067 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.565 3.112 -22.541 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.398 4.747 -22.682 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.680 3.548 -21.397 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.131 5.188 -20.978 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.098 5.411 -23.288 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.735 5.879 -21.610 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.703 4.694 -22.446 1.00 0.00 H new ATOM 691 N CYS A 48 -4.680 3.457 -20.365 1.00 0.00 N ATOM 692 CA CYS A 48 -3.331 2.924 -20.512 1.00 0.00 C ATOM 693 C CYS A 48 -3.232 1.524 -19.913 1.00 0.00 C ATOM 694 O CYS A 48 -2.914 0.561 -20.610 1.00 0.00 O ATOM 695 CB CYS A 48 -2.318 3.852 -19.840 1.00 0.00 C ATOM 696 SG CYS A 48 -0.580 3.374 -20.108 1.00 0.00 S ATOM 0 H CYS A 48 -4.719 4.416 -20.021 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.105 2.861 -21.576 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.467 4.865 -20.213 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.517 3.874 -18.768 1.00 0.00 H new ATOM 0 HG CYS A 48 0.178 4.427 -20.021 1.00 0.00 H new ATOM 701 N GLN A 49 -3.505 1.421 -18.616 1.00 0.00 N ATOM 702 CA GLN A 49 -3.445 0.139 -17.923 1.00 0.00 C ATOM 703 C GLN A 49 -4.241 -0.923 -18.673 1.00 0.00 C ATOM 704 O GLN A 49 -3.768 -2.042 -18.874 1.00 0.00 O ATOM 705 CB GLN A 49 -3.980 0.282 -16.497 1.00 0.00 C ATOM 706 CG GLN A 49 -5.453 0.654 -16.434 1.00 0.00 C ATOM 707 CD GLN A 49 -5.904 1.016 -15.033 1.00 0.00 C ATOM 708 OE1 GLN A 49 -5.554 2.075 -14.510 1.00 0.00 O ATOM 709 NE2 GLN A 49 -6.685 0.137 -14.416 1.00 0.00 N ATOM 0 H GLN A 49 -3.770 2.209 -18.025 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.402 -0.176 -17.883 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.828 -0.657 -15.965 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.399 1.042 -15.974 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.640 1.496 -17.101 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.051 -0.181 -16.800 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.951 -0.728 -14.887 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.019 0.327 -13.471 1.00 0.00 H new ATOM 718 N LYS A 50 -5.452 -0.566 -19.087 1.00 0.00 N ATOM 719 CA LYS A 50 -6.315 -1.488 -19.817 1.00 0.00 C ATOM 720 C LYS A 50 -5.592 -2.065 -21.030 1.00 0.00 C ATOM 721 O LYS A 50 -5.731 -3.248 -21.343 1.00 0.00 O ATOM 722 CB LYS A 50 -7.594 -0.776 -20.263 1.00 0.00 C ATOM 723 CG LYS A 50 -8.387 -1.547 -21.305 1.00 0.00 C ATOM 724 CD LYS A 50 -9.120 -0.611 -22.251 1.00 0.00 C ATOM 725 CE LYS A 50 -10.514 -0.282 -21.740 1.00 0.00 C ATOM 726 NZ LYS A 50 -11.456 -1.421 -21.923 1.00 0.00 N ATOM 0 H LYS A 50 -5.859 0.356 -18.929 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.577 -2.308 -19.149 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.226 -0.603 -19.392 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.333 0.202 -20.667 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.714 -2.188 -21.875 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.105 -2.199 -20.808 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.548 0.309 -22.370 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.192 -1.071 -23.237 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.461 -0.021 -20.683 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.896 0.593 -22.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.431 -1.093 -21.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.363 -1.797 -22.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.233 -2.170 -21.237 1.00 0.00 H new ATOM 740 N LEU A 51 -4.819 -1.223 -21.707 1.00 0.00 N ATOM 741 CA LEU A 51 -4.072 -1.650 -22.886 1.00 0.00 C ATOM 742 C LEU A 51 -2.834 -2.447 -22.487 1.00 0.00 C ATOM 743 O LEU A 51 -2.606 -3.548 -22.986 1.00 0.00 O ATOM 744 CB LEU A 51 -3.664 -0.436 -23.723 1.00 0.00 C ATOM 745 CG LEU A 51 -4.662 0.008 -24.792 1.00 0.00 C ATOM 746 CD1 LEU A 51 -4.186 1.284 -25.469 1.00 0.00 C ATOM 747 CD2 LEU A 51 -4.872 -1.096 -25.818 1.00 0.00 C ATOM 0 H LEU A 51 -4.693 -0.241 -21.460 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.719 -2.294 -23.482 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.487 0.402 -23.049 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.715 -0.658 -24.211 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.617 0.212 -24.308 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.909 1.585 -26.227 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.088 2.075 -24.726 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.219 1.107 -25.940 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.586 -0.762 -26.571 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.922 -1.332 -26.298 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.259 -1.986 -25.321 1.00 0.00 H new ATOM 759 N GLN A 52 -2.040 -1.883 -21.582 1.00 0.00 N ATOM 760 CA GLN A 52 -0.826 -2.542 -21.115 1.00 0.00 C ATOM 761 C GLN A 52 -1.093 -4.008 -20.792 1.00 0.00 C ATOM 762 O GLN A 52 -0.319 -4.888 -21.171 1.00 0.00 O ATOM 763 CB GLN A 52 -0.276 -1.827 -19.880 1.00 0.00 C ATOM 764 CG GLN A 52 0.818 -2.604 -19.165 1.00 0.00 C ATOM 765 CD GLN A 52 1.291 -1.915 -17.900 1.00 0.00 C ATOM 766 OE1 GLN A 52 2.454 -1.526 -17.788 1.00 0.00 O ATOM 767 NE2 GLN A 52 0.389 -1.761 -16.937 1.00 0.00 N ATOM 0 H GLN A 52 -2.216 -0.972 -21.158 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.086 -2.494 -21.914 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.116 -0.854 -20.178 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.094 -1.642 -19.183 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.449 -3.599 -18.916 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.664 -2.738 -19.839 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.564 -2.099 -17.072 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.649 -1.305 -16.062 1.00 0.00 H new ATOM 776 N ASP A 53 -2.191 -4.264 -20.090 1.00 0.00 N ATOM 777 CA ASP A 53 -2.560 -5.624 -19.717 1.00 0.00 C ATOM 778 C ASP A 53 -2.670 -6.516 -20.950 1.00 0.00 C ATOM 779 O ASP A 53 -2.046 -7.574 -21.020 1.00 0.00 O ATOM 780 CB ASP A 53 -3.885 -5.625 -18.952 1.00 0.00 C ATOM 781 CG ASP A 53 -4.094 -6.898 -18.156 1.00 0.00 C ATOM 782 OD1 ASP A 53 -4.222 -7.972 -18.779 1.00 0.00 O ATOM 783 OD2 ASP A 53 -4.131 -6.820 -16.910 1.00 0.00 O ATOM 0 H ASP A 53 -2.841 -3.547 -19.768 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.777 -6.022 -19.072 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.912 -4.770 -18.277 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.708 -5.501 -19.656 1.00 0.00 H new ATOM 788 N ALA A 54 -3.468 -6.080 -21.919 1.00 0.00 N ATOM 789 CA ALA A 54 -3.659 -6.838 -23.150 1.00 0.00 C ATOM 790 C ALA A 54 -2.321 -7.196 -23.787 1.00 0.00 C ATOM 791 O ALA A 54 -1.966 -8.371 -23.891 1.00 0.00 O ATOM 792 CB ALA A 54 -4.518 -6.049 -24.127 1.00 0.00 C ATOM 0 H ALA A 54 -3.993 -5.206 -21.876 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.172 -7.767 -22.901 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.653 -6.626 -25.042 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.491 -5.850 -23.677 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.027 -5.105 -24.363 1.00 0.00 H new ATOM 798 N LEU A 55 -1.582 -6.177 -24.213 1.00 0.00 N ATOM 799 CA LEU A 55 -0.282 -6.384 -24.841 1.00 0.00 C ATOM 800 C LEU A 55 0.629 -7.216 -23.945 1.00 0.00 C ATOM 801 O LEU A 55 1.417 -8.031 -24.427 1.00 0.00 O ATOM 802 CB LEU A 55 0.377 -5.039 -25.151 1.00 0.00 C ATOM 803 CG LEU A 55 -0.141 -4.307 -26.390 1.00 0.00 C ATOM 804 CD1 LEU A 55 0.177 -2.823 -26.305 1.00 0.00 C ATOM 805 CD2 LEU A 55 0.455 -4.911 -27.653 1.00 0.00 C ATOM 0 H LEU A 55 -1.861 -5.199 -24.135 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.439 -6.927 -25.773 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.248 -4.386 -24.288 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.448 -5.201 -25.271 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.224 -4.423 -26.431 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.199 -2.319 -27.195 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.298 -2.399 -25.420 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.256 -2.685 -26.239 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.076 -4.378 -28.525 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.541 -4.826 -27.620 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.176 -5.962 -27.720 1.00 0.00 H new ATOM 817 N LYS A 56 0.517 -7.006 -22.638 1.00 0.00 N ATOM 818 CA LYS A 56 1.328 -7.738 -21.672 1.00 0.00 C ATOM 819 C LYS A 56 1.119 -9.242 -21.815 1.00 0.00 C ATOM 820 O LYS A 56 -0.015 -9.719 -21.871 1.00 0.00 O ATOM 821 CB LYS A 56 0.983 -7.298 -20.248 1.00 0.00 C ATOM 822 CG LYS A 56 1.842 -7.957 -19.182 1.00 0.00 C ATOM 823 CD LYS A 56 1.700 -7.259 -17.841 1.00 0.00 C ATOM 824 CE LYS A 56 0.454 -7.721 -17.101 1.00 0.00 C ATOM 825 NZ LYS A 56 0.474 -7.309 -15.670 1.00 0.00 N ATOM 0 H LYS A 56 -0.128 -6.334 -22.223 1.00 0.00 H new ATOM 0 HA LYS A 56 2.376 -7.514 -21.871 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.094 -6.216 -20.174 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.065 -7.525 -20.050 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.557 -9.004 -19.080 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.886 -7.940 -19.493 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.581 -7.458 -17.231 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.655 -6.181 -17.994 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.430 -7.308 -17.586 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.375 -8.806 -17.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.392 -7.643 -15.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.304 -7.724 -15.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.524 -6.272 -15.608 1.00 0.00 H new ATOM 839 N CYS A 57 2.219 -9.985 -21.873 1.00 0.00 N ATOM 840 CA CYS A 57 2.157 -11.435 -22.009 1.00 0.00 C ATOM 841 C CYS A 57 1.877 -12.096 -20.662 1.00 0.00 C ATOM 842 O CYS A 57 1.822 -11.426 -19.631 1.00 0.00 O ATOM 843 CB CYS A 57 3.468 -11.971 -22.589 1.00 0.00 C ATOM 844 SG CYS A 57 3.279 -13.496 -23.567 1.00 0.00 S ATOM 0 H CYS A 57 3.165 -9.606 -21.828 1.00 0.00 H new ATOM 0 HA CYS A 57 1.341 -11.676 -22.690 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.916 -11.202 -23.218 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.164 -12.160 -21.772 1.00 0.00 H new ATOM 0 HG CYS A 57 4.243 -13.577 -24.436 1.00 0.00 H new ATOM 849 N GLN A 58 1.701 -13.413 -20.681 1.00 0.00 N ATOM 850 CA GLN A 58 1.427 -14.164 -19.461 1.00 0.00 C ATOM 851 C GLN A 58 2.519 -15.196 -19.199 1.00 0.00 C ATOM 852 O GLN A 58 2.961 -15.372 -18.064 1.00 0.00 O ATOM 853 CB GLN A 58 0.067 -14.857 -19.559 1.00 0.00 C ATOM 854 CG GLN A 58 -0.020 -15.869 -20.691 1.00 0.00 C ATOM 855 CD GLN A 58 -1.390 -16.509 -20.797 1.00 0.00 C ATOM 856 OE1 GLN A 58 -1.615 -17.610 -20.293 1.00 0.00 O ATOM 857 NE2 GLN A 58 -2.316 -15.822 -21.456 1.00 0.00 N ATOM 0 H GLN A 58 1.743 -13.982 -21.527 1.00 0.00 H new ATOM 0 HA GLN A 58 1.410 -13.461 -18.628 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.144 -15.361 -18.616 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.707 -14.102 -19.697 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.221 -15.376 -21.633 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.729 -16.646 -20.537 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.087 -14.913 -21.858 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.256 -16.203 -21.560 1.00 0.00 H new ATOM 866 N HIS A 59 2.950 -15.876 -20.257 1.00 0.00 N ATOM 867 CA HIS A 59 3.991 -16.890 -20.142 1.00 0.00 C ATOM 868 C HIS A 59 5.326 -16.258 -19.761 1.00 0.00 C ATOM 869 O HIS A 59 6.062 -16.789 -18.929 1.00 0.00 O ATOM 870 CB HIS A 59 4.133 -17.658 -21.457 1.00 0.00 C ATOM 871 CG HIS A 59 3.045 -18.661 -21.685 1.00 0.00 C ATOM 872 ND1 HIS A 59 3.082 -19.941 -21.174 1.00 0.00 N ATOM 873 CD2 HIS A 59 1.884 -18.566 -22.375 1.00 0.00 C ATOM 874 CE1 HIS A 59 1.991 -20.590 -21.540 1.00 0.00 C ATOM 875 NE2 HIS A 59 1.248 -19.778 -22.269 1.00 0.00 N ATOM 0 H HIS A 59 2.594 -15.743 -21.204 1.00 0.00 H new ATOM 0 HA HIS A 59 3.701 -17.585 -19.354 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.140 -16.948 -22.284 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.095 -18.170 -21.467 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.525 -17.699 -22.909 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.748 -21.611 -21.286 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.347 -20.013 -22.686 1.00 0.00 H new ATOM 883 N CYS A 60 5.633 -15.121 -20.376 1.00 0.00 N ATOM 884 CA CYS A 60 6.880 -14.416 -20.103 1.00 0.00 C ATOM 885 C CYS A 60 6.636 -13.206 -19.206 1.00 0.00 C ATOM 886 O CYS A 60 7.547 -12.726 -18.531 1.00 0.00 O ATOM 887 CB CYS A 60 7.535 -13.970 -21.412 1.00 0.00 C ATOM 888 SG CYS A 60 6.719 -12.547 -22.205 1.00 0.00 S ATOM 0 H CYS A 60 5.035 -14.668 -21.067 1.00 0.00 H new ATOM 0 HA CYS A 60 7.550 -15.102 -19.584 1.00 0.00 H new ATOM 0 HB2 CYS A 60 8.577 -13.715 -21.216 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.537 -14.808 -22.109 1.00 0.00 H new ATOM 0 HG CYS A 60 6.388 -12.860 -23.423 1.00 0.00 H new ATOM 893 N ARG A 61 5.399 -12.718 -19.204 1.00 0.00 N ATOM 894 CA ARG A 61 5.035 -11.564 -18.391 1.00 0.00 C ATOM 895 C ARG A 61 5.817 -10.326 -18.822 1.00 0.00 C ATOM 896 O ARG A 61 6.388 -9.619 -17.991 1.00 0.00 O ATOM 897 CB ARG A 61 5.293 -11.854 -16.911 1.00 0.00 C ATOM 898 CG ARG A 61 4.562 -13.082 -16.395 1.00 0.00 C ATOM 899 CD ARG A 61 3.181 -12.727 -15.865 1.00 0.00 C ATOM 900 NE ARG A 61 3.252 -11.876 -14.681 1.00 0.00 N ATOM 901 CZ ARG A 61 3.626 -12.312 -13.483 1.00 0.00 C ATOM 902 NH1 ARG A 61 3.962 -13.583 -13.312 1.00 0.00 N ATOM 903 NH2 ARG A 61 3.665 -11.476 -12.453 1.00 0.00 N ATOM 0 H ARG A 61 4.633 -13.104 -19.756 1.00 0.00 H new ATOM 0 HA ARG A 61 3.972 -11.370 -18.536 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.364 -11.987 -16.757 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.992 -10.988 -16.322 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.468 -13.814 -17.197 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.148 -13.549 -15.603 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.614 -12.218 -16.644 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.640 -13.641 -15.622 1.00 0.00 H new ATOM 0 HE ARG A 61 3.001 -10.892 -14.779 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.934 -14.229 -14.101 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.249 -13.915 -12.391 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.408 -10.497 -12.581 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.952 -11.812 -11.534 1.00 0.00 H new ATOM 917 N LYS A 62 5.840 -10.072 -20.125 1.00 0.00 N ATOM 918 CA LYS A 62 6.551 -8.920 -20.668 1.00 0.00 C ATOM 919 C LYS A 62 5.617 -8.047 -21.500 1.00 0.00 C ATOM 920 O LYS A 62 4.846 -8.550 -22.316 1.00 0.00 O ATOM 921 CB LYS A 62 7.733 -9.381 -21.524 1.00 0.00 C ATOM 922 CG LYS A 62 8.709 -8.268 -21.864 1.00 0.00 C ATOM 923 CD LYS A 62 10.020 -8.820 -22.398 1.00 0.00 C ATOM 924 CE LYS A 62 10.903 -7.715 -22.957 1.00 0.00 C ATOM 925 NZ LYS A 62 11.672 -7.024 -21.886 1.00 0.00 N ATOM 0 H LYS A 62 5.374 -10.648 -20.826 1.00 0.00 H new ATOM 0 HA LYS A 62 6.925 -8.328 -19.832 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.266 -10.172 -20.996 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.353 -9.815 -22.449 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.263 -7.606 -22.606 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.901 -7.667 -20.975 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.549 -9.341 -21.600 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.816 -9.554 -23.178 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.595 -8.137 -23.686 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.285 -6.989 -23.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.261 -6.278 -22.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.012 -6.599 -21.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.281 -7.711 -21.397 1.00 0.00 H new ATOM 939 N GLN A 63 5.694 -6.737 -21.288 1.00 0.00 N ATOM 940 CA GLN A 63 4.856 -5.795 -22.020 1.00 0.00 C ATOM 941 C GLN A 63 5.466 -5.464 -23.378 1.00 0.00 C ATOM 942 O GLN A 63 6.670 -5.233 -23.489 1.00 0.00 O ATOM 943 CB GLN A 63 4.664 -4.513 -21.208 1.00 0.00 C ATOM 944 CG GLN A 63 3.308 -3.858 -21.415 1.00 0.00 C ATOM 945 CD GLN A 63 2.790 -4.023 -22.830 1.00 0.00 C ATOM 946 OE1 GLN A 63 2.322 -5.096 -23.211 1.00 0.00 O ATOM 947 NE2 GLN A 63 2.872 -2.957 -23.618 1.00 0.00 N ATOM 0 H GLN A 63 6.328 -6.304 -20.616 1.00 0.00 H new ATOM 0 HA GLN A 63 3.885 -6.263 -22.183 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.790 -4.741 -20.150 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.446 -3.803 -21.476 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.590 -4.289 -20.717 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.382 -2.796 -21.181 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.267 -2.087 -23.260 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.540 -3.008 -24.581 1.00 0.00 H new ATOM 956 N PHE A 64 4.627 -5.443 -24.408 1.00 0.00 N ATOM 957 CA PHE A 64 5.084 -5.141 -25.760 1.00 0.00 C ATOM 958 C PHE A 64 4.445 -3.856 -26.276 1.00 0.00 C ATOM 959 O PHE A 64 3.253 -3.619 -26.081 1.00 0.00 O ATOM 960 CB PHE A 64 4.757 -6.301 -26.702 1.00 0.00 C ATOM 961 CG PHE A 64 5.667 -7.485 -26.535 1.00 0.00 C ATOM 962 CD1 PHE A 64 5.599 -8.272 -25.397 1.00 0.00 C ATOM 963 CD2 PHE A 64 6.591 -7.809 -27.516 1.00 0.00 C ATOM 964 CE1 PHE A 64 6.434 -9.362 -25.241 1.00 0.00 C ATOM 965 CE2 PHE A 64 7.429 -8.897 -27.365 1.00 0.00 C ATOM 966 CZ PHE A 64 7.351 -9.674 -26.225 1.00 0.00 C ATOM 0 H PHE A 64 3.627 -5.631 -24.333 1.00 0.00 H new ATOM 0 HA PHE A 64 6.164 -5.001 -25.729 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.728 -6.617 -26.532 1.00 0.00 H new ATOM 0 HB3 PHE A 64 4.817 -5.950 -27.732 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.885 -8.031 -24.623 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.657 -7.204 -28.408 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.369 -9.969 -24.350 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.144 -9.140 -28.137 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.006 -10.524 -26.104 1.00 0.00 H new ATOM 976 N LYS A 65 5.247 -3.027 -26.936 1.00 0.00 N ATOM 977 CA LYS A 65 4.762 -1.765 -27.482 1.00 0.00 C ATOM 978 C LYS A 65 4.303 -1.938 -28.927 1.00 0.00 C ATOM 979 O LYS A 65 4.442 -1.029 -29.745 1.00 0.00 O ATOM 980 CB LYS A 65 5.858 -0.699 -27.408 1.00 0.00 C ATOM 981 CG LYS A 65 5.955 -0.020 -26.053 1.00 0.00 C ATOM 982 CD LYS A 65 6.810 -0.822 -25.087 1.00 0.00 C ATOM 983 CE LYS A 65 8.286 -0.737 -25.446 1.00 0.00 C ATOM 984 NZ LYS A 65 9.159 -0.960 -24.261 1.00 0.00 N ATOM 0 H LYS A 65 6.237 -3.207 -27.106 1.00 0.00 H new ATOM 0 HA LYS A 65 3.909 -1.443 -26.884 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.817 -1.159 -27.644 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.671 0.056 -28.171 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.379 0.977 -26.174 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.956 0.107 -25.636 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.659 -0.452 -24.073 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.492 -1.864 -25.097 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.517 -1.478 -26.211 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.499 0.242 -25.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.157 -0.894 -24.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.957 -0.238 -23.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.974 -1.904 -23.866 1.00 0.00 H new ATOM 998 N SER A 66 3.755 -3.109 -29.232 1.00 0.00 N ATOM 999 CA SER A 66 3.277 -3.402 -30.579 1.00 0.00 C ATOM 1000 C SER A 66 2.390 -4.642 -30.583 1.00 0.00 C ATOM 1001 O SER A 66 2.793 -5.711 -30.123 1.00 0.00 O ATOM 1002 CB SER A 66 4.459 -3.603 -31.529 1.00 0.00 C ATOM 1003 OG SER A 66 5.297 -4.657 -31.085 1.00 0.00 O ATOM 0 H SER A 66 3.631 -3.871 -28.565 1.00 0.00 H new ATOM 0 HA SER A 66 2.685 -2.553 -30.921 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.091 -3.824 -32.531 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.035 -2.680 -31.598 1.00 0.00 H new ATOM 0 HG SER A 66 4.749 -5.365 -30.687 1.00 0.00 H new ATOM 1009 N LYS A 67 1.177 -4.493 -31.106 1.00 0.00 N ATOM 1010 CA LYS A 67 0.230 -5.600 -31.173 1.00 0.00 C ATOM 1011 C LYS A 67 0.760 -6.716 -32.067 1.00 0.00 C ATOM 1012 O LYS A 67 0.723 -7.889 -31.699 1.00 0.00 O ATOM 1013 CB LYS A 67 -1.122 -5.110 -31.696 1.00 0.00 C ATOM 1014 CG LYS A 67 -2.291 -5.979 -31.266 1.00 0.00 C ATOM 1015 CD LYS A 67 -2.825 -5.561 -29.906 1.00 0.00 C ATOM 1016 CE LYS A 67 -4.145 -6.249 -29.591 1.00 0.00 C ATOM 1017 NZ LYS A 67 -3.939 -7.612 -29.028 1.00 0.00 N ATOM 0 H LYS A 67 0.827 -3.615 -31.490 1.00 0.00 H new ATOM 0 HA LYS A 67 0.101 -5.997 -30.166 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.290 -4.091 -31.347 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.089 -5.072 -32.785 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.087 -5.912 -32.007 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.976 -7.022 -31.230 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.093 -5.805 -29.136 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.962 -4.480 -29.884 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.709 -5.644 -28.881 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.745 -6.318 -30.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.862 -8.048 -28.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.423 -8.197 -29.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.389 -7.545 -28.148 1.00 0.00 H new ATOM 1031 N ALA A 68 1.253 -6.342 -33.244 1.00 0.00 N ATOM 1032 CA ALA A 68 1.793 -7.311 -34.189 1.00 0.00 C ATOM 1033 C ALA A 68 3.012 -8.022 -33.609 1.00 0.00 C ATOM 1034 O ALA A 68 3.170 -9.232 -33.767 1.00 0.00 O ATOM 1035 CB ALA A 68 2.153 -6.627 -35.499 1.00 0.00 C ATOM 0 H ALA A 68 1.289 -5.375 -33.565 1.00 0.00 H new ATOM 0 HA ALA A 68 1.025 -8.060 -34.382 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.555 -7.363 -36.195 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.261 -6.171 -35.928 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.901 -5.856 -35.313 1.00 0.00 H new ATOM 1041 N GLY A 69 3.872 -7.262 -32.938 1.00 0.00 N ATOM 1042 CA GLY A 69 5.066 -7.837 -32.347 1.00 0.00 C ATOM 1043 C GLY A 69 4.749 -8.946 -31.363 1.00 0.00 C ATOM 1044 O GLY A 69 5.495 -9.919 -31.252 1.00 0.00 O ATOM 0 H GLY A 69 3.763 -6.258 -32.793 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.706 -8.229 -33.137 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.629 -7.054 -31.839 1.00 0.00 H new ATOM 1048 N LEU A 70 3.640 -8.800 -30.646 1.00 0.00 N ATOM 1049 CA LEU A 70 3.226 -9.796 -29.665 1.00 0.00 C ATOM 1050 C LEU A 70 2.873 -11.116 -30.345 1.00 0.00 C ATOM 1051 O LEU A 70 3.466 -12.153 -30.053 1.00 0.00 O ATOM 1052 CB LEU A 70 2.027 -9.285 -28.864 1.00 0.00 C ATOM 1053 CG LEU A 70 1.563 -10.175 -27.710 1.00 0.00 C ATOM 1054 CD1 LEU A 70 2.634 -10.255 -26.633 1.00 0.00 C ATOM 1055 CD2 LEU A 70 0.257 -9.654 -27.127 1.00 0.00 C ATOM 0 H LEU A 70 3.011 -8.001 -30.726 1.00 0.00 H new ATOM 0 HA LEU A 70 4.061 -9.970 -28.986 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.276 -8.303 -28.462 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.190 -9.146 -29.549 1.00 0.00 H new ATOM 0 HG LEU A 70 1.391 -11.179 -28.098 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.286 -10.892 -25.820 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.546 -10.674 -27.058 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.838 -9.256 -26.248 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.058 -10.299 -26.307 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.404 -8.640 -26.755 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.511 -9.649 -27.901 1.00 0.00 H new ATOM 1067 N ASN A 71 1.904 -11.066 -31.253 1.00 0.00 N ATOM 1068 CA ASN A 71 1.473 -12.257 -31.976 1.00 0.00 C ATOM 1069 C ASN A 71 2.668 -13.127 -32.353 1.00 0.00 C ATOM 1070 O ASN A 71 2.717 -14.311 -32.020 1.00 0.00 O ATOM 1071 CB ASN A 71 0.697 -11.863 -33.235 1.00 0.00 C ATOM 1072 CG ASN A 71 -0.682 -11.318 -32.917 1.00 0.00 C ATOM 1073 OD1 ASN A 71 -1.380 -11.834 -32.044 1.00 0.00 O ATOM 1074 ND2 ASN A 71 -1.082 -10.269 -33.627 1.00 0.00 N ATOM 0 H ASN A 71 1.403 -10.214 -31.506 1.00 0.00 H new ATOM 0 HA ASN A 71 0.820 -12.833 -31.320 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.263 -11.113 -33.787 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.600 -12.732 -33.886 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.001 -9.859 -33.458 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.470 -9.873 -34.341 1.00 0.00 H new ATOM 1081 N TYR A 72 3.629 -12.532 -33.050 1.00 0.00 N ATOM 1082 CA TYR A 72 4.824 -13.252 -33.474 1.00 0.00 C ATOM 1083 C TYR A 72 5.643 -13.706 -32.270 1.00 0.00 C ATOM 1084 O TYR A 72 6.058 -14.863 -32.187 1.00 0.00 O ATOM 1085 CB TYR A 72 5.681 -12.370 -34.384 1.00 0.00 C ATOM 1086 CG TYR A 72 6.624 -13.151 -35.271 1.00 0.00 C ATOM 1087 CD1 TYR A 72 7.686 -13.866 -34.729 1.00 0.00 C ATOM 1088 CD2 TYR A 72 6.455 -13.174 -36.649 1.00 0.00 C ATOM 1089 CE1 TYR A 72 8.551 -14.580 -35.535 1.00 0.00 C ATOM 1090 CE2 TYR A 72 7.314 -13.887 -37.463 1.00 0.00 C ATOM 1091 CZ TYR A 72 8.360 -14.588 -36.901 1.00 0.00 C ATOM 1092 OH TYR A 72 9.219 -15.298 -37.708 1.00 0.00 O ATOM 0 H TYR A 72 3.604 -11.553 -33.334 1.00 0.00 H new ATOM 0 HA TYR A 72 4.507 -14.135 -34.029 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.026 -11.763 -35.009 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.261 -11.682 -33.768 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.837 -13.863 -33.660 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.638 -12.625 -37.092 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.372 -15.129 -35.098 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.167 -13.895 -38.533 1.00 0.00 H new ATOM 0 HH TYR A 72 8.944 -15.201 -38.644 1.00 0.00 H new ATOM 1102 N HIS A 73 5.871 -12.787 -31.337 1.00 0.00 N ATOM 1103 CA HIS A 73 6.639 -13.092 -30.135 1.00 0.00 C ATOM 1104 C HIS A 73 6.108 -14.350 -29.455 1.00 0.00 C ATOM 1105 O HIS A 73 6.845 -15.314 -29.244 1.00 0.00 O ATOM 1106 CB HIS A 73 6.593 -11.913 -29.162 1.00 0.00 C ATOM 1107 CG HIS A 73 6.624 -12.324 -27.722 1.00 0.00 C ATOM 1108 ND1 HIS A 73 7.792 -12.610 -27.047 1.00 0.00 N ATOM 1109 CD2 HIS A 73 5.623 -12.494 -26.828 1.00 0.00 C ATOM 1110 CE1 HIS A 73 7.507 -12.940 -25.800 1.00 0.00 C ATOM 1111 NE2 HIS A 73 6.197 -12.877 -25.641 1.00 0.00 N ATOM 0 H HIS A 73 5.535 -11.825 -31.390 1.00 0.00 H new ATOM 0 HA HIS A 73 7.673 -13.270 -30.430 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.438 -11.254 -29.362 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.688 -11.335 -29.347 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.729 -12.573 -27.448 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.568 -12.354 -27.014 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.223 -13.215 -25.040 1.00 0.00 H new ATOM 1119 N THR A 74 4.823 -14.334 -29.112 1.00 0.00 N ATOM 1120 CA THR A 74 4.194 -15.471 -28.454 1.00 0.00 C ATOM 1121 C THR A 74 4.185 -16.696 -29.362 1.00 0.00 C ATOM 1122 O THR A 74 4.523 -17.799 -28.934 1.00 0.00 O ATOM 1123 CB THR A 74 2.747 -15.148 -28.034 1.00 0.00 C ATOM 1124 OG1 THR A 74 2.723 -13.958 -27.237 1.00 0.00 O ATOM 1125 CG2 THR A 74 2.140 -16.301 -27.250 1.00 0.00 C ATOM 0 H THR A 74 4.198 -13.545 -29.280 1.00 0.00 H new ATOM 0 HA THR A 74 4.784 -15.686 -27.563 1.00 0.00 H new ATOM 0 HB THR A 74 2.156 -14.993 -28.937 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.800 -13.758 -26.975 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.119 -16.049 -26.965 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.133 -17.198 -27.869 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.733 -16.483 -26.353 1.00 0.00 H new ATOM 1133 N MET A 75 3.798 -16.494 -30.617 1.00 0.00 N ATOM 1134 CA MET A 75 3.748 -17.582 -31.586 1.00 0.00 C ATOM 1135 C MET A 75 5.112 -18.251 -31.723 1.00 0.00 C ATOM 1136 O MET A 75 5.202 -19.462 -31.926 1.00 0.00 O ATOM 1137 CB MET A 75 3.282 -17.062 -32.947 1.00 0.00 C ATOM 1138 CG MET A 75 2.796 -18.156 -33.882 1.00 0.00 C ATOM 1139 SD MET A 75 4.145 -19.146 -34.554 1.00 0.00 S ATOM 1140 CE MET A 75 4.961 -17.942 -35.599 1.00 0.00 C ATOM 0 H MET A 75 3.514 -15.587 -30.987 1.00 0.00 H new ATOM 0 HA MET A 75 3.034 -18.323 -31.226 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.478 -16.342 -32.796 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.104 -16.527 -33.423 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.105 -18.807 -33.346 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.237 -17.706 -34.703 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.531 -18.458 -36.372 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.214 -17.300 -36.066 1.00 0.00 H new ATOM 0 HE3 MET A 75 5.635 -17.334 -34.996 1.00 0.00 H new ATOM 1150 N ALA A 76 6.170 -17.455 -31.612 1.00 0.00 N ATOM 1151 CA ALA A 76 7.529 -17.970 -31.723 1.00 0.00 C ATOM 1152 C ALA A 76 8.019 -18.516 -30.386 1.00 0.00 C ATOM 1153 O ALA A 76 8.302 -19.707 -30.258 1.00 0.00 O ATOM 1154 CB ALA A 76 8.466 -16.883 -32.227 1.00 0.00 C ATOM 0 H ALA A 76 6.112 -16.450 -31.445 1.00 0.00 H new ATOM 0 HA ALA A 76 7.523 -18.790 -32.441 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.477 -17.282 -32.305 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.134 -16.542 -33.208 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.459 -16.045 -31.530 1.00 0.00 H new ATOM 1160 N GLU A 77 8.118 -17.637 -29.393 1.00 0.00 N ATOM 1161 CA GLU A 77 8.576 -18.033 -28.067 1.00 0.00 C ATOM 1162 C GLU A 77 7.629 -19.055 -27.446 1.00 0.00 C ATOM 1163 O GLU A 77 7.989 -20.217 -27.256 1.00 0.00 O ATOM 1164 CB GLU A 77 8.691 -16.808 -27.156 1.00 0.00 C ATOM 1165 CG GLU A 77 10.076 -16.183 -27.148 1.00 0.00 C ATOM 1166 CD GLU A 77 10.037 -14.683 -26.928 1.00 0.00 C ATOM 1167 OE1 GLU A 77 9.814 -13.945 -27.909 1.00 0.00 O ATOM 1168 OE2 GLU A 77 10.231 -14.249 -25.773 1.00 0.00 O ATOM 0 H GLU A 77 7.887 -16.647 -29.482 1.00 0.00 H new ATOM 0 HA GLU A 77 9.559 -18.492 -28.173 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.966 -16.059 -27.475 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.426 -17.096 -26.139 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.675 -16.646 -26.364 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.572 -16.395 -28.095 1.00 0.00 H new ATOM 1175 N HIS A 78 6.415 -18.613 -27.132 1.00 0.00 N ATOM 1176 CA HIS A 78 5.414 -19.489 -26.532 1.00 0.00 C ATOM 1177 C HIS A 78 4.552 -20.145 -27.607 1.00 0.00 C ATOM 1178 O HIS A 78 3.393 -19.777 -27.797 1.00 0.00 O ATOM 1179 CB HIS A 78 4.531 -18.701 -25.564 1.00 0.00 C ATOM 1180 CG HIS A 78 5.259 -17.613 -24.839 1.00 0.00 C ATOM 1181 ND1 HIS A 78 6.556 -17.746 -24.388 1.00 0.00 N ATOM 1182 CD2 HIS A 78 4.867 -16.366 -24.488 1.00 0.00 C ATOM 1183 CE1 HIS A 78 6.928 -16.628 -23.790 1.00 0.00 C ATOM 1184 NE2 HIS A 78 5.922 -15.775 -23.837 1.00 0.00 N ATOM 0 H HIS A 78 6.101 -17.654 -27.283 1.00 0.00 H new ATOM 0 HA HIS A 78 5.935 -20.272 -25.981 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.700 -18.264 -26.117 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.102 -19.388 -24.835 1.00 0.00 H new ATOM 0 HD2 HIS A 78 3.904 -15.919 -24.684 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.892 -16.443 -23.339 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.927 -14.830 -23.452 1.00 0.00 H new