USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 870 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 108 HIS : no HD1:sc= -1.41 K(o=-2.6,f=-3.5!) USER MOD Set 1.2: A 112 SER OG : rot -141:sc= -1.16 USER MOD Set 2.1: A 53 SER OG : rot 30:sc= 1.07 USER MOD Set 2.2: A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 14 GLN :FLIP amide:sc= -0.186 F(o=-1.3,f=-0.19) USER MOD Set 3.2: A 45 THR OG1 : rot 163:sc= 0 USER MOD Single : A 16 SER OG : rot -13:sc= -3.6 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 68:sc= -0.114 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.82) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.645 F(o=-2.3!,f=-0.65) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 6:sc= 0.577 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= 1.15 (180deg=0.957) USER MOD Single : A 60 GLN : amide:sc= -0.077 X(o=-0.077,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc=-0.00477 X(o=-0.0048,f=-0.0048) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -163:sc= -1.1 (180deg=-1.95!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot -73:sc= 0.197 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -2.72 X(o=-2.7,f=-3.1!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -102:sc= -0.947 (180deg=-3.01!) USER MOD Single : A 105 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.6!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 0:sc= -2.08! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N GLU A 12 8.222 26.867 -0.101 1.00 0.00 N ATOM 110 CA GLU A 12 8.347 25.500 -0.595 1.00 0.00 C ATOM 111 C GLU A 12 6.988 24.808 -0.629 1.00 0.00 C ATOM 112 O GLU A 12 5.990 25.351 -0.154 1.00 0.00 O ATOM 113 CB GLU A 12 9.315 24.704 0.282 1.00 0.00 C ATOM 114 CG GLU A 12 10.770 25.107 0.104 1.00 0.00 C ATOM 115 CD GLU A 12 11.043 26.526 0.563 1.00 0.00 C ATOM 116 OE1 GLU A 12 10.836 26.811 1.761 1.00 0.00 O ATOM 117 OE2 GLU A 12 11.463 27.351 -0.275 1.00 0.00 O ATOM 0 HA GLU A 12 8.740 25.542 -1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.036 24.835 1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.210 23.643 0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.404 24.420 0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.044 25.010 -0.947 1.00 0.00 H new ATOM 124 N ARG A 13 6.957 23.605 -1.195 1.00 0.00 N ATOM 125 CA ARG A 13 5.721 22.839 -1.293 1.00 0.00 C ATOM 126 C ARG A 13 5.487 22.019 -0.027 1.00 0.00 C ATOM 127 O ARG A 13 6.425 21.721 0.712 1.00 0.00 O ATOM 128 CB ARG A 13 5.764 21.915 -2.511 1.00 0.00 C ATOM 129 CG ARG A 13 6.907 20.913 -2.476 1.00 0.00 C ATOM 130 CD ARG A 13 7.231 20.388 -3.865 1.00 0.00 C ATOM 131 NE ARG A 13 8.316 19.411 -3.842 1.00 0.00 N ATOM 132 CZ ARG A 13 9.600 19.739 -3.750 1.00 0.00 C ATOM 133 NH1 ARG A 13 9.957 21.014 -3.674 1.00 0.00 N ATOM 134 NH2 ARG A 13 10.529 18.792 -3.735 1.00 0.00 N ATOM 0 H ARG A 13 7.774 23.141 -1.592 1.00 0.00 H new ATOM 0 HA ARG A 13 4.896 23.542 -1.407 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.820 21.374 -2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.851 22.521 -3.413 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.792 21.384 -2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.643 20.081 -1.824 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.341 19.931 -4.296 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.507 21.221 -4.512 1.00 0.00 H new ATOM 0 HE ARG A 13 8.075 18.422 -3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.245 21.744 -3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.943 21.264 -3.603 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.258 17.811 -3.794 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.514 19.045 -3.664 1.00 0.00 H new ATOM 148 N GLN A 14 4.231 21.658 0.215 1.00 0.00 N ATOM 149 CA GLN A 14 3.875 20.874 1.391 1.00 0.00 C ATOM 150 C GLN A 14 3.158 19.589 0.992 1.00 0.00 C ATOM 151 O GLN A 14 1.927 19.534 0.968 1.00 0.00 O ATOM 152 CB GLN A 14 2.990 21.697 2.329 1.00 0.00 C ATOM 153 CG GLN A 14 2.043 22.638 1.603 1.00 0.00 C ATOM 154 CD GLN A 14 1.375 23.629 2.536 1.00 0.00 C ATOM 155 OE1 GLN A 14 1.223 23.244 3.798 1.00 0.00 O flip ATOM 156 NE2 GLN A 14 0.999 24.728 2.127 1.00 0.00 N flip ATOM 0 H GLN A 14 3.443 21.896 -0.388 1.00 0.00 H new ATOM 0 HA GLN A 14 4.795 20.608 1.912 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.408 21.019 2.953 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.625 22.279 2.997 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.595 23.182 0.836 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.278 22.054 1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.136 24.982 1.149 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.551 25.384 2.766 1.00 0.00 H new ATOM 165 N LEU A 15 3.933 18.557 0.680 1.00 0.00 N ATOM 166 CA LEU A 15 3.372 17.271 0.281 1.00 0.00 C ATOM 167 C LEU A 15 2.217 16.874 1.195 1.00 0.00 C ATOM 168 O LEU A 15 2.357 16.858 2.418 1.00 0.00 O ATOM 169 CB LEU A 15 4.453 16.189 0.309 1.00 0.00 C ATOM 170 CG LEU A 15 3.975 14.769 0.608 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.862 14.368 -0.349 1.00 0.00 C ATOM 172 CD2 LEU A 15 5.133 13.786 0.523 1.00 0.00 C ATOM 0 H LEU A 15 4.952 18.585 0.696 1.00 0.00 H new ATOM 0 HA LEU A 15 2.991 17.369 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.959 16.185 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.196 16.466 1.057 1.00 0.00 H new ATOM 0 HG LEU A 15 3.580 14.746 1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.534 13.354 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.022 15.054 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.231 14.408 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.773 12.780 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.559 13.811 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.898 14.061 1.249 1.00 0.00 H new ATOM 184 N SER A 16 1.076 16.553 0.593 1.00 0.00 N ATOM 185 CA SER A 16 -0.104 16.158 1.353 1.00 0.00 C ATOM 186 C SER A 16 -0.456 14.697 1.088 1.00 0.00 C ATOM 187 O SER A 16 -0.816 14.310 -0.024 1.00 0.00 O ATOM 188 CB SER A 16 -1.291 17.053 0.993 1.00 0.00 C ATOM 189 OG SER A 16 -0.954 18.424 1.121 1.00 0.00 O ATOM 0 H SER A 16 0.944 16.559 -0.418 1.00 0.00 H new ATOM 0 HA SER A 16 0.121 16.274 2.413 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.609 16.847 -0.029 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.135 16.821 1.642 1.00 0.00 H new ATOM 0 HG SER A 16 -0.108 18.509 1.609 1.00 0.00 H new ATOM 195 N PRO A 17 -0.350 13.865 2.135 1.00 0.00 N ATOM 196 CA PRO A 17 -0.652 12.434 2.042 1.00 0.00 C ATOM 197 C PRO A 17 -2.142 12.167 1.856 1.00 0.00 C ATOM 198 O PRO A 17 -2.532 11.243 1.143 1.00 0.00 O ATOM 199 CB PRO A 17 -0.174 11.882 3.387 1.00 0.00 C ATOM 200 CG PRO A 17 -0.241 13.043 4.318 1.00 0.00 C ATOM 201 CD PRO A 17 0.074 14.257 3.489 1.00 0.00 C ATOM 0 HA PRO A 17 -0.170 11.971 1.181 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.809 11.064 3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.840 11.489 3.316 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.230 13.125 4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.474 12.931 5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.467 15.135 3.841 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.136 14.502 3.522 1.00 0.00 H new ATOM 209 N GLU A 18 -2.970 12.982 2.503 1.00 0.00 N ATOM 210 CA GLU A 18 -4.417 12.833 2.408 1.00 0.00 C ATOM 211 C GLU A 18 -4.908 13.165 1.001 1.00 0.00 C ATOM 212 O GLU A 18 -5.783 12.489 0.461 1.00 0.00 O ATOM 213 CB GLU A 18 -5.113 13.735 3.429 1.00 0.00 C ATOM 214 CG GLU A 18 -4.624 15.173 3.404 1.00 0.00 C ATOM 215 CD GLU A 18 -5.506 16.104 4.212 1.00 0.00 C ATOM 216 OE1 GLU A 18 -6.484 16.636 3.645 1.00 0.00 O ATOM 217 OE2 GLU A 18 -5.220 16.302 5.412 1.00 0.00 O ATOM 0 H GLU A 18 -2.663 13.752 3.098 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.664 11.794 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.187 13.722 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.960 13.325 4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.607 15.214 3.793 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.584 15.521 2.372 1.00 0.00 H new ATOM 224 N LYS A 19 -4.337 14.211 0.414 1.00 0.00 N ATOM 225 CA LYS A 19 -4.714 14.634 -0.929 1.00 0.00 C ATOM 226 C LYS A 19 -4.348 13.569 -1.958 1.00 0.00 C ATOM 227 O LYS A 19 -5.101 13.317 -2.899 1.00 0.00 O ATOM 228 CB LYS A 19 -4.027 15.956 -1.282 1.00 0.00 C ATOM 229 CG LYS A 19 -4.523 17.136 -0.465 1.00 0.00 C ATOM 230 CD LYS A 19 -5.692 17.831 -1.142 1.00 0.00 C ATOM 231 CE LYS A 19 -6.864 16.882 -1.343 1.00 0.00 C ATOM 232 NZ LYS A 19 -8.119 17.613 -1.675 1.00 0.00 N ATOM 0 H LYS A 19 -3.611 14.782 0.848 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.794 14.776 -0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.952 15.848 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.183 16.166 -2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.826 16.793 0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.710 17.847 -0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.010 18.681 -0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.373 18.226 -2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.630 16.180 -2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.015 16.294 -0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.894 16.931 -1.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.357 18.265 -0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.984 18.154 -2.553 1.00 0.00 H new ATOM 246 N SER A 20 -3.188 12.947 -1.772 1.00 0.00 N ATOM 247 CA SER A 20 -2.722 11.910 -2.686 1.00 0.00 C ATOM 248 C SER A 20 -3.820 10.884 -2.949 1.00 0.00 C ATOM 249 O SER A 20 -4.475 10.410 -2.022 1.00 0.00 O ATOM 250 CB SER A 20 -1.485 11.215 -2.113 1.00 0.00 C ATOM 251 OG SER A 20 -0.380 12.100 -2.063 1.00 0.00 O ATOM 0 H SER A 20 -2.554 13.143 -0.997 1.00 0.00 H new ATOM 0 HA SER A 20 -2.459 12.384 -3.631 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.704 10.844 -1.112 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.234 10.349 -2.726 1.00 0.00 H new ATOM 0 HG SER A 20 -0.551 12.800 -1.399 1.00 0.00 H new ATOM 257 N GLU A 21 -4.014 10.548 -4.221 1.00 0.00 N ATOM 258 CA GLU A 21 -5.033 9.579 -4.607 1.00 0.00 C ATOM 259 C GLU A 21 -4.395 8.269 -5.059 1.00 0.00 C ATOM 260 O GLU A 21 -3.683 8.227 -6.063 1.00 0.00 O ATOM 261 CB GLU A 21 -5.908 10.146 -5.727 1.00 0.00 C ATOM 262 CG GLU A 21 -5.156 11.049 -6.689 1.00 0.00 C ATOM 263 CD GLU A 21 -5.980 11.417 -7.908 1.00 0.00 C ATOM 264 OE1 GLU A 21 -6.919 10.663 -8.239 1.00 0.00 O ATOM 265 OE2 GLU A 21 -5.686 12.458 -8.531 1.00 0.00 O ATOM 0 H GLU A 21 -3.480 10.932 -5.000 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.656 9.378 -3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.348 9.320 -6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.732 10.706 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.857 11.959 -6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.242 10.550 -7.010 1.00 0.00 H new ATOM 272 N ILE A 22 -4.654 7.202 -4.310 1.00 0.00 N ATOM 273 CA ILE A 22 -4.106 5.891 -4.634 1.00 0.00 C ATOM 274 C ILE A 22 -5.093 5.070 -5.456 1.00 0.00 C ATOM 275 O ILE A 22 -6.036 4.491 -4.917 1.00 0.00 O ATOM 276 CB ILE A 22 -3.738 5.105 -3.361 1.00 0.00 C ATOM 277 CG1 ILE A 22 -2.711 5.882 -2.535 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.202 3.729 -3.725 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.304 5.178 -1.260 1.00 0.00 C ATOM 0 H ILE A 22 -5.240 7.220 -3.475 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.203 6.063 -5.220 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.637 4.975 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.824 6.056 -3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.123 6.860 -2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.946 3.186 -2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.963 3.176 -4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.312 3.837 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.574 5.786 -0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.182 5.028 -0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.862 4.212 -1.503 1.00 0.00 H new ATOM 291 N TRP A 23 -4.869 5.023 -6.764 1.00 0.00 N ATOM 292 CA TRP A 23 -5.738 4.270 -7.662 1.00 0.00 C ATOM 293 C TRP A 23 -5.000 3.078 -8.261 1.00 0.00 C ATOM 294 O TRP A 23 -3.784 2.956 -8.124 1.00 0.00 O ATOM 295 CB TRP A 23 -6.259 5.177 -8.779 1.00 0.00 C ATOM 296 CG TRP A 23 -5.221 5.507 -9.809 1.00 0.00 C ATOM 297 CD1 TRP A 23 -4.931 4.794 -10.937 1.00 0.00 C ATOM 298 CD2 TRP A 23 -4.336 6.632 -9.804 1.00 0.00 C ATOM 299 NE1 TRP A 23 -3.918 5.408 -11.634 1.00 0.00 N ATOM 300 CE2 TRP A 23 -3.537 6.538 -10.960 1.00 0.00 C ATOM 301 CE3 TRP A 23 -4.143 7.711 -8.937 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -2.560 7.482 -11.268 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -3.173 8.646 -9.244 1.00 0.00 C ATOM 304 CH2 TRP A 23 -2.392 8.527 -10.401 1.00 0.00 C ATOM 0 H TRP A 23 -4.093 5.497 -7.227 1.00 0.00 H new ATOM 0 HA TRP A 23 -6.582 3.897 -7.083 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -7.104 4.691 -9.267 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.633 6.102 -8.341 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.425 3.882 -11.237 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -3.515 5.076 -12.511 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.741 7.812 -8.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.957 7.392 -12.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -3.014 9.483 -8.580 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.642 9.275 -10.613 1.00 0.00 H new ATOM 315 N GLY A 24 -5.745 2.200 -8.926 1.00 0.00 N ATOM 316 CA GLY A 24 -5.144 1.028 -9.536 1.00 0.00 C ATOM 317 C GLY A 24 -6.106 -0.140 -9.620 1.00 0.00 C ATOM 318 O GLY A 24 -7.013 -0.285 -8.800 1.00 0.00 O ATOM 0 H GLY A 24 -6.754 2.279 -9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.797 1.281 -10.538 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.267 0.732 -8.960 1.00 0.00 H new ATOM 322 N PRO A 25 -5.914 -0.999 -10.632 1.00 0.00 N ATOM 323 CA PRO A 25 -6.763 -2.175 -10.845 1.00 0.00 C ATOM 324 C PRO A 25 -6.557 -3.240 -9.774 1.00 0.00 C ATOM 325 O PRO A 25 -7.199 -4.289 -9.796 1.00 0.00 O ATOM 326 CB PRO A 25 -6.310 -2.696 -12.211 1.00 0.00 C ATOM 327 CG PRO A 25 -4.908 -2.212 -12.356 1.00 0.00 C ATOM 328 CD PRO A 25 -4.852 -0.888 -11.647 1.00 0.00 C ATOM 0 HA PRO A 25 -7.823 -1.926 -10.798 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.360 -3.784 -12.256 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.945 -2.315 -13.011 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.204 -2.919 -11.918 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.639 -2.104 -13.407 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.877 -0.717 -11.191 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.034 -0.058 -12.330 1.00 0.00 H new ATOM 336 N GLY A 26 -5.656 -2.963 -8.835 1.00 0.00 N ATOM 337 CA GLY A 26 -5.382 -3.907 -7.768 1.00 0.00 C ATOM 338 C GLY A 26 -6.511 -3.985 -6.759 1.00 0.00 C ATOM 339 O GLY A 26 -6.901 -5.074 -6.335 1.00 0.00 O ATOM 0 H GLY A 26 -5.111 -2.101 -8.795 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.212 -4.895 -8.196 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.463 -3.618 -7.259 1.00 0.00 H new ATOM 343 N LEU A 27 -7.036 -2.828 -6.371 1.00 0.00 N ATOM 344 CA LEU A 27 -8.126 -2.769 -5.403 1.00 0.00 C ATOM 345 C LEU A 27 -9.335 -3.558 -5.896 1.00 0.00 C ATOM 346 O LEU A 27 -10.141 -4.041 -5.100 1.00 0.00 O ATOM 347 CB LEU A 27 -8.524 -1.315 -5.142 1.00 0.00 C ATOM 348 CG LEU A 27 -7.467 -0.442 -4.465 1.00 0.00 C ATOM 349 CD1 LEU A 27 -7.688 1.024 -4.806 1.00 0.00 C ATOM 350 CD2 LEU A 27 -7.490 -0.649 -2.957 1.00 0.00 C ATOM 0 H LEU A 27 -6.725 -1.918 -6.712 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.778 -3.217 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.791 -0.856 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.421 -1.310 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.486 -0.738 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.927 1.630 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.621 1.161 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.675 1.333 -4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.731 -0.020 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.472 -0.381 -2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.283 -1.695 -2.730 1.00 0.00 H new ATOM 362 N LYS A 28 -9.454 -3.688 -7.213 1.00 0.00 N ATOM 363 CA LYS A 28 -10.561 -4.422 -7.813 1.00 0.00 C ATOM 364 C LYS A 28 -10.676 -5.820 -7.214 1.00 0.00 C ATOM 365 O LYS A 28 -9.672 -6.500 -7.006 1.00 0.00 O ATOM 366 CB LYS A 28 -10.374 -4.518 -9.329 1.00 0.00 C ATOM 367 CG LYS A 28 -10.399 -3.172 -10.032 1.00 0.00 C ATOM 368 CD LYS A 28 -10.783 -3.314 -11.495 1.00 0.00 C ATOM 369 CE LYS A 28 -10.703 -1.982 -12.224 1.00 0.00 C ATOM 370 NZ LYS A 28 -10.658 -2.160 -13.702 1.00 0.00 N ATOM 0 H LYS A 28 -8.796 -3.294 -7.886 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.482 -3.879 -7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.424 -5.010 -9.539 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.159 -5.150 -9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.108 -2.512 -9.531 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.418 -2.703 -9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.122 -4.034 -11.977 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.796 -3.711 -11.570 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.565 -1.370 -11.958 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.815 -1.441 -11.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.604 -1.229 -14.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.822 -2.722 -13.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.517 -2.653 -14.019 1.00 0.00 H new ATOM 384 N ALA A 29 -11.906 -6.243 -6.941 1.00 0.00 N ATOM 385 CA ALA A 29 -12.151 -7.561 -6.369 1.00 0.00 C ATOM 386 C ALA A 29 -11.606 -8.661 -7.274 1.00 0.00 C ATOM 387 O ALA A 29 -10.867 -9.538 -6.825 1.00 0.00 O ATOM 388 CB ALA A 29 -13.639 -7.763 -6.127 1.00 0.00 C ATOM 0 H ALA A 29 -12.748 -5.692 -7.107 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.628 -7.619 -5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.807 -8.752 -5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.002 -7.002 -5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.176 -7.680 -7.072 1.00 0.00 H new ATOM 394 N ASP A 30 -11.976 -8.610 -8.549 1.00 0.00 N ATOM 395 CA ASP A 30 -11.524 -9.602 -9.517 1.00 0.00 C ATOM 396 C ASP A 30 -10.253 -9.137 -10.219 1.00 0.00 C ATOM 397 O ASP A 30 -10.299 -8.294 -11.115 1.00 0.00 O ATOM 398 CB ASP A 30 -12.620 -9.876 -10.548 1.00 0.00 C ATOM 399 CG ASP A 30 -13.992 -10.001 -9.915 1.00 0.00 C ATOM 400 OD1 ASP A 30 -14.356 -11.123 -9.506 1.00 0.00 O ATOM 401 OD2 ASP A 30 -14.703 -8.977 -9.831 1.00 0.00 O ATOM 0 H ASP A 30 -12.588 -7.892 -8.936 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.303 -10.524 -8.979 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.634 -9.070 -11.282 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.387 -10.794 -11.087 1.00 0.00 H new ATOM 406 N VAL A 31 -9.117 -9.691 -9.805 1.00 0.00 N ATOM 407 CA VAL A 31 -7.833 -9.333 -10.394 1.00 0.00 C ATOM 408 C VAL A 31 -7.401 -10.359 -11.435 1.00 0.00 C ATOM 409 O VAL A 31 -8.130 -11.306 -11.729 1.00 0.00 O ATOM 410 CB VAL A 31 -6.736 -9.216 -9.319 1.00 0.00 C ATOM 411 CG1 VAL A 31 -6.958 -7.980 -8.461 1.00 0.00 C ATOM 412 CG2 VAL A 31 -6.696 -10.471 -8.460 1.00 0.00 C ATOM 0 H VAL A 31 -9.061 -10.389 -9.064 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.965 -8.364 -10.876 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.772 -9.114 -9.818 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.173 -7.914 -7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.932 -7.091 -9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.928 -8.048 -7.969 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.915 -10.371 -7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.660 -10.607 -7.969 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.484 -11.336 -9.089 1.00 0.00 H new ATOM 422 N VAL A 32 -6.209 -10.163 -11.992 1.00 0.00 N ATOM 423 CA VAL A 32 -5.678 -11.073 -13.000 1.00 0.00 C ATOM 424 C VAL A 32 -5.379 -12.443 -12.402 1.00 0.00 C ATOM 425 O VAL A 32 -5.551 -12.660 -11.202 1.00 0.00 O ATOM 426 CB VAL A 32 -4.394 -10.513 -13.640 1.00 0.00 C ATOM 427 CG1 VAL A 32 -4.698 -9.252 -14.434 1.00 0.00 C ATOM 428 CG2 VAL A 32 -3.343 -10.240 -12.574 1.00 0.00 C ATOM 0 H VAL A 32 -5.594 -9.383 -11.762 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.444 -11.175 -13.769 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.997 -11.260 -14.328 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.778 -8.871 -14.878 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.414 -9.483 -15.223 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.120 -8.497 -13.770 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.442 -9.845 -13.044 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.729 -9.512 -11.860 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.104 -11.167 -12.053 1.00 0.00 H new ATOM 438 N LEU A 33 -4.930 -13.365 -13.246 1.00 0.00 N ATOM 439 CA LEU A 33 -4.606 -14.716 -12.801 1.00 0.00 C ATOM 440 C LEU A 33 -3.504 -14.693 -11.748 1.00 0.00 C ATOM 441 O LEU A 33 -3.683 -15.143 -10.616 1.00 0.00 O ATOM 442 CB LEU A 33 -4.173 -15.576 -13.990 1.00 0.00 C ATOM 443 CG LEU A 33 -5.271 -16.409 -14.652 1.00 0.00 C ATOM 444 CD1 LEU A 33 -4.864 -16.804 -16.063 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.579 -17.644 -13.818 1.00 0.00 C ATOM 0 H LEU A 33 -4.782 -13.202 -14.242 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.501 -15.149 -12.354 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.736 -14.923 -14.745 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.384 -16.251 -13.657 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.174 -15.802 -14.713 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.658 -17.396 -16.518 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.695 -15.906 -16.658 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.948 -17.393 -16.026 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.363 -18.225 -14.304 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.680 -18.253 -13.725 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.915 -17.339 -12.827 1.00 0.00 H new ATOM 457 N PRO A 34 -2.335 -14.153 -12.125 1.00 0.00 N ATOM 458 CA PRO A 34 -1.181 -14.055 -11.227 1.00 0.00 C ATOM 459 C PRO A 34 -1.401 -13.041 -10.110 1.00 0.00 C ATOM 460 O PRO A 34 -1.916 -13.378 -9.044 1.00 0.00 O ATOM 461 CB PRO A 34 -0.050 -13.597 -12.151 1.00 0.00 C ATOM 462 CG PRO A 34 -0.736 -12.891 -13.269 1.00 0.00 C ATOM 463 CD PRO A 34 -2.051 -13.596 -13.459 1.00 0.00 C ATOM 0 HA PRO A 34 -0.978 -14.998 -10.719 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.643 -12.935 -11.631 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.531 -14.444 -12.515 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.888 -11.838 -13.031 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.138 -12.928 -14.180 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.833 -12.908 -13.782 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.982 -14.378 -14.215 1.00 0.00 H new ATOM 471 N ALA A 35 -1.007 -11.797 -10.361 1.00 0.00 N ATOM 472 CA ALA A 35 -1.163 -10.732 -9.377 1.00 0.00 C ATOM 473 C ALA A 35 -1.234 -9.367 -10.052 1.00 0.00 C ATOM 474 O ALA A 35 -0.849 -9.216 -11.211 1.00 0.00 O ATOM 475 CB ALA A 35 -0.019 -10.769 -8.374 1.00 0.00 C ATOM 0 H ALA A 35 -0.577 -11.501 -11.238 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.102 -10.895 -8.847 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.148 -9.969 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.016 -11.730 -7.860 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.928 -10.634 -8.897 1.00 0.00 H new ATOM 481 N ARG A 36 -1.730 -8.375 -9.319 1.00 0.00 N ATOM 482 CA ARG A 36 -1.853 -7.022 -9.848 1.00 0.00 C ATOM 483 C ARG A 36 -1.092 -6.026 -8.978 1.00 0.00 C ATOM 484 O ARG A 36 -0.631 -6.365 -7.888 1.00 0.00 O ATOM 485 CB ARG A 36 -3.326 -6.618 -9.935 1.00 0.00 C ATOM 486 CG ARG A 36 -3.976 -6.964 -11.264 1.00 0.00 C ATOM 487 CD ARG A 36 -3.842 -5.825 -12.263 1.00 0.00 C ATOM 488 NE ARG A 36 -2.579 -5.883 -12.994 1.00 0.00 N ATOM 489 CZ ARG A 36 -2.348 -5.210 -14.116 1.00 0.00 C ATOM 490 NH1 ARG A 36 -3.289 -4.432 -14.632 1.00 0.00 N ATOM 491 NH2 ARG A 36 -1.173 -5.315 -14.724 1.00 0.00 N ATOM 0 H ARG A 36 -2.053 -8.483 -8.358 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.420 -7.009 -10.848 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.876 -7.109 -9.133 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.410 -5.544 -9.768 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.515 -7.864 -11.672 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.031 -7.189 -11.107 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.671 -5.863 -12.969 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.914 -4.872 -11.738 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.834 -6.472 -12.623 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.193 -4.349 -14.168 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.109 -3.916 -15.493 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.446 -5.913 -14.330 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.996 -4.798 -15.585 1.00 0.00 H new ATOM 505 N TYR A 37 -0.964 -4.798 -9.467 1.00 0.00 N ATOM 506 CA TYR A 37 -0.256 -3.754 -8.736 1.00 0.00 C ATOM 507 C TYR A 37 -0.949 -2.406 -8.904 1.00 0.00 C ATOM 508 O TYR A 37 -1.780 -2.228 -9.794 1.00 0.00 O ATOM 509 CB TYR A 37 1.193 -3.658 -9.217 1.00 0.00 C ATOM 510 CG TYR A 37 1.331 -3.629 -10.722 1.00 0.00 C ATOM 511 CD1 TYR A 37 1.207 -2.438 -11.427 1.00 0.00 C ATOM 512 CD2 TYR A 37 1.583 -4.791 -11.440 1.00 0.00 C ATOM 513 CE1 TYR A 37 1.331 -2.406 -12.803 1.00 0.00 C ATOM 514 CE2 TYR A 37 1.710 -4.769 -12.815 1.00 0.00 C ATOM 515 CZ TYR A 37 1.583 -3.574 -13.492 1.00 0.00 C ATOM 516 OH TYR A 37 1.708 -3.547 -14.862 1.00 0.00 O ATOM 0 H TYR A 37 -1.341 -4.501 -10.367 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.264 -4.017 -7.678 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.646 -2.758 -8.802 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.754 -4.507 -8.825 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.010 -1.522 -10.890 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.681 -5.729 -10.913 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.231 -1.472 -13.336 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.908 -5.682 -13.357 1.00 0.00 H new ATOM 0 HH TYR A 37 1.885 -4.453 -15.192 1.00 0.00 H new ATOM 526 N PHE A 38 -0.601 -1.457 -8.040 1.00 0.00 N ATOM 527 CA PHE A 38 -1.189 -0.124 -8.091 1.00 0.00 C ATOM 528 C PHE A 38 -0.104 0.949 -8.108 1.00 0.00 C ATOM 529 O PHE A 38 1.088 0.642 -8.076 1.00 0.00 O ATOM 530 CB PHE A 38 -2.118 0.093 -6.894 1.00 0.00 C ATOM 531 CG PHE A 38 -1.445 -0.115 -5.568 1.00 0.00 C ATOM 532 CD1 PHE A 38 -1.268 -1.392 -5.058 1.00 0.00 C ATOM 533 CD2 PHE A 38 -0.989 0.965 -4.830 1.00 0.00 C ATOM 534 CE1 PHE A 38 -0.649 -1.587 -3.838 1.00 0.00 C ATOM 535 CE2 PHE A 38 -0.369 0.776 -3.609 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.200 -0.501 -3.112 1.00 0.00 C ATOM 0 H PHE A 38 0.085 -1.587 -7.297 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.768 -0.045 -9.011 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.519 1.106 -6.934 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.965 -0.588 -6.973 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.618 -2.245 -5.621 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.119 1.966 -5.213 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.516 -2.587 -3.453 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.017 1.627 -3.044 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.282 -0.651 -2.157 1.00 0.00 H new ATOM 546 N TYR A 39 -0.526 2.207 -8.159 1.00 0.00 N ATOM 547 CA TYR A 39 0.408 3.326 -8.184 1.00 0.00 C ATOM 548 C TYR A 39 0.092 4.325 -7.074 1.00 0.00 C ATOM 549 O TYR A 39 -1.057 4.458 -6.653 1.00 0.00 O ATOM 550 CB TYR A 39 0.363 4.026 -9.543 1.00 0.00 C ATOM 551 CG TYR A 39 0.144 3.082 -10.703 1.00 0.00 C ATOM 552 CD1 TYR A 39 1.152 2.225 -11.127 1.00 0.00 C ATOM 553 CD2 TYR A 39 -1.072 3.047 -11.375 1.00 0.00 C ATOM 554 CE1 TYR A 39 0.956 1.361 -12.187 1.00 0.00 C ATOM 555 CE2 TYR A 39 -1.277 2.185 -12.435 1.00 0.00 C ATOM 556 CZ TYR A 39 -0.260 1.345 -12.838 1.00 0.00 C ATOM 557 OH TYR A 39 -0.460 0.485 -13.894 1.00 0.00 O ATOM 0 H TYR A 39 -1.509 2.478 -8.184 1.00 0.00 H new ATOM 0 HA TYR A 39 1.411 2.932 -8.019 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.435 4.768 -9.534 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.298 4.565 -9.696 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.105 2.234 -10.619 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.870 3.705 -11.063 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.750 0.702 -12.504 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.229 2.169 -12.945 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.370 0.598 -14.240 1.00 0.00 H new ATOM 567 N ILE A 40 1.121 5.023 -6.605 1.00 0.00 N ATOM 568 CA ILE A 40 0.954 6.010 -5.546 1.00 0.00 C ATOM 569 C ILE A 40 1.407 7.392 -6.006 1.00 0.00 C ATOM 570 O ILE A 40 2.604 7.661 -6.107 1.00 0.00 O ATOM 571 CB ILE A 40 1.741 5.619 -4.282 1.00 0.00 C ATOM 572 CG1 ILE A 40 1.288 4.247 -3.777 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.563 6.672 -3.199 1.00 0.00 C ATOM 574 CD1 ILE A 40 2.371 3.484 -3.048 1.00 0.00 C ATOM 0 H ILE A 40 2.079 4.923 -6.942 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.109 6.039 -5.307 1.00 0.00 H new ATOM 0 HB ILE A 40 2.800 5.562 -4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.435 4.377 -3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.943 3.653 -4.623 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.126 6.381 -2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.929 7.632 -3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.506 6.759 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.979 2.522 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.216 3.322 -3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.700 4.058 -2.181 1.00 0.00 H new ATOM 586 N GLN A 41 0.442 8.264 -6.281 1.00 0.00 N ATOM 587 CA GLN A 41 0.743 9.619 -6.729 1.00 0.00 C ATOM 588 C GLN A 41 0.723 10.596 -5.559 1.00 0.00 C ATOM 589 O GLN A 41 -0.215 10.607 -4.762 1.00 0.00 O ATOM 590 CB GLN A 41 -0.261 10.061 -7.795 1.00 0.00 C ATOM 591 CG GLN A 41 -0.217 11.551 -8.091 1.00 0.00 C ATOM 592 CD GLN A 41 0.965 11.939 -8.957 1.00 0.00 C ATOM 593 OE1 GLN A 41 1.227 11.315 -9.987 1.00 0.00 O ATOM 594 NE2 GLN A 41 1.687 12.974 -8.545 1.00 0.00 N ATOM 0 H GLN A 41 -0.554 8.057 -6.202 1.00 0.00 H new ATOM 0 HA GLN A 41 1.744 9.618 -7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.067 9.510 -8.715 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.266 9.793 -7.469 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.140 11.846 -8.590 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.171 12.103 -7.152 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.434 13.462 -7.686 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.494 13.281 -9.088 1.00 0.00 H new ATOM 603 N ALA A 42 1.765 11.415 -5.461 1.00 0.00 N ATOM 604 CA ALA A 42 1.867 12.397 -4.388 1.00 0.00 C ATOM 605 C ALA A 42 1.167 13.698 -4.767 1.00 0.00 C ATOM 606 O ALA A 42 1.280 14.168 -5.899 1.00 0.00 O ATOM 607 CB ALA A 42 3.327 12.660 -4.050 1.00 0.00 C ATOM 0 H ALA A 42 2.551 11.418 -6.112 1.00 0.00 H new ATOM 0 HA ALA A 42 1.370 11.990 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.388 13.395 -3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.799 11.732 -3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.841 13.042 -4.932 1.00 0.00 H new ATOM 613 N VAL A 43 0.443 14.274 -3.813 1.00 0.00 N ATOM 614 CA VAL A 43 -0.275 15.522 -4.047 1.00 0.00 C ATOM 615 C VAL A 43 -0.063 16.502 -2.898 1.00 0.00 C ATOM 616 O VAL A 43 -0.084 16.117 -1.729 1.00 0.00 O ATOM 617 CB VAL A 43 -1.785 15.275 -4.224 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.524 16.592 -4.410 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.038 14.343 -5.400 1.00 0.00 C ATOM 0 H VAL A 43 0.338 13.897 -2.871 1.00 0.00 H new ATOM 0 HA VAL A 43 0.126 15.951 -4.965 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.165 14.797 -3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.589 16.397 -4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.370 17.223 -3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.143 17.101 -5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.110 14.179 -5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.644 14.792 -6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.542 13.389 -5.221 1.00 0.00 H new ATOM 629 N ASP A 44 0.140 17.769 -3.240 1.00 0.00 N ATOM 630 CA ASP A 44 0.354 18.806 -2.237 1.00 0.00 C ATOM 631 C ASP A 44 -0.973 19.277 -1.649 1.00 0.00 C ATOM 632 O ASP A 44 -2.038 18.777 -2.014 1.00 0.00 O ATOM 633 CB ASP A 44 1.104 19.990 -2.849 1.00 0.00 C ATOM 634 CG ASP A 44 0.291 20.703 -3.913 1.00 0.00 C ATOM 635 OD1 ASP A 44 -0.939 20.493 -3.958 1.00 0.00 O ATOM 636 OD2 ASP A 44 0.886 21.469 -4.700 1.00 0.00 O ATOM 0 H ASP A 44 0.161 18.103 -4.204 1.00 0.00 H new ATOM 0 HA ASP A 44 0.955 18.381 -1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.366 20.697 -2.062 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.039 19.638 -3.285 1.00 0.00 H new ATOM 641 N THR A 45 -0.901 20.241 -0.737 1.00 0.00 N ATOM 642 CA THR A 45 -2.096 20.777 -0.097 1.00 0.00 C ATOM 643 C THR A 45 -2.975 21.511 -1.102 1.00 0.00 C ATOM 644 O THR A 45 -4.126 21.838 -0.812 1.00 0.00 O ATOM 645 CB THR A 45 -1.734 21.739 1.051 1.00 0.00 C ATOM 646 OG1 THR A 45 -1.077 22.900 0.529 1.00 0.00 O ATOM 647 CG2 THR A 45 -0.834 21.055 2.067 1.00 0.00 C ATOM 0 H THR A 45 -0.028 20.667 -0.425 1.00 0.00 H new ATOM 0 HA THR A 45 -2.645 19.928 0.310 1.00 0.00 H new ATOM 0 HB THR A 45 -2.656 22.037 1.549 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.094 23.615 1.199 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.592 21.754 2.868 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.348 20.189 2.484 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.085 20.730 1.579 1.00 0.00 H new ATOM 655 N SER A 46 -2.427 21.767 -2.286 1.00 0.00 N ATOM 656 CA SER A 46 -3.161 22.466 -3.334 1.00 0.00 C ATOM 657 C SER A 46 -3.825 21.475 -4.285 1.00 0.00 C ATOM 658 O SER A 46 -4.382 21.861 -5.312 1.00 0.00 O ATOM 659 CB SER A 46 -2.224 23.390 -4.114 1.00 0.00 C ATOM 660 OG SER A 46 -2.016 24.608 -3.420 1.00 0.00 O ATOM 0 H SER A 46 -1.477 21.500 -2.543 1.00 0.00 H new ATOM 0 HA SER A 46 -3.938 23.066 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.268 22.892 -4.275 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.646 23.596 -5.098 1.00 0.00 H new ATOM 0 HG SER A 46 -1.412 25.181 -3.938 1.00 0.00 H new ATOM 666 N GLY A 47 -3.759 20.194 -3.936 1.00 0.00 N ATOM 667 CA GLY A 47 -4.357 19.166 -4.768 1.00 0.00 C ATOM 668 C GLY A 47 -3.627 18.990 -6.086 1.00 0.00 C ATOM 669 O GLY A 47 -4.191 18.478 -7.051 1.00 0.00 O ATOM 0 H GLY A 47 -3.302 19.850 -3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.357 18.220 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.398 19.422 -4.964 1.00 0.00 H new ATOM 673 N ASN A 48 -2.370 19.419 -6.125 1.00 0.00 N ATOM 674 CA ASN A 48 -1.563 19.308 -7.335 1.00 0.00 C ATOM 675 C ASN A 48 -0.593 18.134 -7.236 1.00 0.00 C ATOM 676 O ASN A 48 -0.040 17.859 -6.171 1.00 0.00 O ATOM 677 CB ASN A 48 -0.788 20.605 -7.577 1.00 0.00 C ATOM 678 CG ASN A 48 -1.702 21.773 -7.893 1.00 0.00 C ATOM 679 OD1 ASN A 48 -1.693 22.782 -7.029 1.00 0.00 O flip ATOM 680 ND2 ASN A 48 -2.408 21.769 -8.902 1.00 0.00 N flip ATOM 0 H ASN A 48 -1.888 19.846 -5.334 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.235 19.132 -8.175 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.194 20.840 -6.694 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.090 20.460 -8.401 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.383 20.972 -9.539 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.018 22.562 -9.101 1.00 0.00 H new ATOM 687 N LYS A 49 -0.390 17.446 -8.355 1.00 0.00 N ATOM 688 CA LYS A 49 0.515 16.303 -8.397 1.00 0.00 C ATOM 689 C LYS A 49 1.970 16.759 -8.359 1.00 0.00 C ATOM 690 O LYS A 49 2.371 17.649 -9.109 1.00 0.00 O ATOM 691 CB LYS A 49 0.262 15.472 -9.657 1.00 0.00 C ATOM 692 CG LYS A 49 -1.004 14.636 -9.589 1.00 0.00 C ATOM 693 CD LYS A 49 -2.214 15.416 -10.075 1.00 0.00 C ATOM 694 CE LYS A 49 -2.276 15.460 -11.595 1.00 0.00 C ATOM 695 NZ LYS A 49 -3.405 16.300 -12.080 1.00 0.00 N ATOM 0 H LYS A 49 -0.840 17.660 -9.245 1.00 0.00 H new ATOM 0 HA LYS A 49 0.323 15.687 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.201 16.140 -10.516 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.114 14.813 -9.825 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.881 13.738 -10.195 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.170 14.308 -8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.123 14.958 -9.686 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.175 16.432 -9.682 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.337 15.853 -11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.384 14.447 -11.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.413 16.304 -13.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.303 15.911 -11.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.289 17.273 -11.731 1.00 0.00 H new ATOM 709 N PHE A 50 2.756 16.143 -7.483 1.00 0.00 N ATOM 710 CA PHE A 50 4.167 16.485 -7.349 1.00 0.00 C ATOM 711 C PHE A 50 4.933 16.148 -8.625 1.00 0.00 C ATOM 712 O PHE A 50 5.837 16.878 -9.033 1.00 0.00 O ATOM 713 CB PHE A 50 4.783 15.744 -6.160 1.00 0.00 C ATOM 714 CG PHE A 50 4.714 16.515 -4.873 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.492 16.805 -4.289 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.872 16.949 -4.247 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.425 17.514 -3.103 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.811 17.657 -3.061 1.00 0.00 C ATOM 719 CZ PHE A 50 4.586 17.941 -2.490 1.00 0.00 C ATOM 0 H PHE A 50 2.440 15.404 -6.855 1.00 0.00 H new ATOM 0 HA PHE A 50 4.239 17.559 -7.176 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.271 14.791 -6.031 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.826 15.518 -6.383 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.581 16.474 -4.765 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.832 16.732 -4.691 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.466 17.733 -2.657 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.720 17.988 -2.582 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.536 18.496 -1.565 1.00 0.00 H new ATOM 729 N THR A 51 4.564 15.035 -9.252 1.00 0.00 N ATOM 730 CA THR A 51 5.216 14.598 -10.480 1.00 0.00 C ATOM 731 C THR A 51 6.733 14.695 -10.363 1.00 0.00 C ATOM 732 O THR A 51 7.436 14.822 -11.365 1.00 0.00 O ATOM 733 CB THR A 51 4.752 15.431 -11.690 1.00 0.00 C ATOM 734 OG1 THR A 51 5.203 16.784 -11.555 1.00 0.00 O ATOM 735 CG2 THR A 51 3.236 15.407 -11.814 1.00 0.00 C ATOM 0 H THR A 51 3.817 14.420 -8.929 1.00 0.00 H new ATOM 0 HA THR A 51 4.932 13.557 -10.634 1.00 0.00 H new ATOM 0 HB THR A 51 5.182 14.993 -12.591 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.785 16.858 -10.770 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.932 16.002 -12.675 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.898 14.379 -11.945 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.790 15.823 -10.910 1.00 0.00 H new ATOM 743 N SER A 52 7.231 14.635 -9.132 1.00 0.00 N ATOM 744 CA SER A 52 8.666 14.720 -8.883 1.00 0.00 C ATOM 745 C SER A 52 9.124 13.597 -7.957 1.00 0.00 C ATOM 746 O SER A 52 8.314 12.801 -7.482 1.00 0.00 O ATOM 747 CB SER A 52 9.019 16.077 -8.272 1.00 0.00 C ATOM 748 OG SER A 52 8.289 16.305 -7.080 1.00 0.00 O ATOM 0 H SER A 52 6.663 14.528 -8.292 1.00 0.00 H new ATOM 0 HA SER A 52 9.183 14.614 -9.837 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.088 16.117 -8.061 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.806 16.869 -8.990 1.00 0.00 H new ATOM 0 HG SER A 52 8.534 17.178 -6.708 1.00 0.00 H new ATOM 754 N SER A 53 10.427 13.541 -7.705 1.00 0.00 N ATOM 755 CA SER A 53 10.995 12.515 -6.839 1.00 0.00 C ATOM 756 C SER A 53 11.294 13.077 -5.453 1.00 0.00 C ATOM 757 O SER A 53 12.246 13.832 -5.253 1.00 0.00 O ATOM 758 CB SER A 53 12.274 11.946 -7.457 1.00 0.00 C ATOM 759 OG SER A 53 13.298 12.925 -7.500 1.00 0.00 O ATOM 0 H SER A 53 11.110 14.194 -8.088 1.00 0.00 H new ATOM 0 HA SER A 53 10.262 11.715 -6.737 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.611 11.087 -6.877 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.066 11.588 -8.465 1.00 0.00 H new ATOM 0 HG SER A 53 13.187 13.548 -6.751 1.00 0.00 H new ATOM 765 N PRO A 54 10.461 12.702 -4.471 1.00 0.00 N ATOM 766 CA PRO A 54 10.614 13.156 -3.086 1.00 0.00 C ATOM 767 C PRO A 54 11.840 12.552 -2.410 1.00 0.00 C ATOM 768 O PRO A 54 12.626 13.260 -1.780 1.00 0.00 O ATOM 769 CB PRO A 54 9.333 12.665 -2.407 1.00 0.00 C ATOM 770 CG PRO A 54 8.896 11.498 -3.223 1.00 0.00 C ATOM 771 CD PRO A 54 9.305 11.804 -4.637 1.00 0.00 C ATOM 0 HA PRO A 54 10.758 14.235 -3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.519 12.377 -1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.571 13.444 -2.390 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.365 10.579 -2.872 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.818 11.354 -3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.574 10.899 -5.182 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.500 12.284 -5.193 1.00 0.00 H new ATOM 779 N GLY A 55 11.999 11.239 -2.546 1.00 0.00 N ATOM 780 CA GLY A 55 13.133 10.563 -1.943 1.00 0.00 C ATOM 781 C GLY A 55 13.168 9.084 -2.273 1.00 0.00 C ATOM 782 O GLY A 55 12.345 8.595 -3.047 1.00 0.00 O ATOM 0 H GLY A 55 11.363 10.632 -3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.056 11.031 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.095 10.690 -0.861 1.00 0.00 H new ATOM 786 N GLU A 56 14.124 8.370 -1.686 1.00 0.00 N ATOM 787 CA GLU A 56 14.263 6.939 -1.925 1.00 0.00 C ATOM 788 C GLU A 56 13.174 6.157 -1.197 1.00 0.00 C ATOM 789 O GLU A 56 12.668 5.155 -1.704 1.00 0.00 O ATOM 790 CB GLU A 56 15.643 6.456 -1.472 1.00 0.00 C ATOM 791 CG GLU A 56 15.951 6.773 -0.019 1.00 0.00 C ATOM 792 CD GLU A 56 16.529 8.163 0.165 1.00 0.00 C ATOM 793 OE1 GLU A 56 17.690 8.380 -0.241 1.00 0.00 O ATOM 794 OE2 GLU A 56 15.821 9.033 0.714 1.00 0.00 O ATOM 0 H GLU A 56 14.813 8.759 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 56 14.157 6.763 -2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.709 5.378 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.404 6.913 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.038 6.682 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.655 6.037 0.368 1.00 0.00 H new ATOM 801 N LYS A 57 12.817 6.621 -0.005 1.00 0.00 N ATOM 802 CA LYS A 57 11.788 5.968 0.795 1.00 0.00 C ATOM 803 C LYS A 57 10.889 6.998 1.471 1.00 0.00 C ATOM 804 O LYS A 57 11.284 7.637 2.446 1.00 0.00 O ATOM 805 CB LYS A 57 12.429 5.064 1.850 1.00 0.00 C ATOM 806 CG LYS A 57 13.265 3.940 1.262 1.00 0.00 C ATOM 807 CD LYS A 57 12.411 2.731 0.920 1.00 0.00 C ATOM 808 CE LYS A 57 13.050 1.888 -0.173 1.00 0.00 C ATOM 809 NZ LYS A 57 12.627 2.328 -1.531 1.00 0.00 N ATOM 0 H LYS A 57 13.226 7.448 0.429 1.00 0.00 H new ATOM 0 HA LYS A 57 11.177 5.360 0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.058 5.670 2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.645 4.634 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.773 4.294 0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.039 3.651 1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.266 2.122 1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.424 3.061 0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.135 1.951 -0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.780 0.842 -0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.291 1.955 -2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.671 1.970 -1.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.623 3.367 -1.574 1.00 0.00 H new ATOM 823 N VAL A 58 9.676 7.153 0.948 1.00 0.00 N ATOM 824 CA VAL A 58 8.720 8.104 1.503 1.00 0.00 C ATOM 825 C VAL A 58 7.369 7.442 1.751 1.00 0.00 C ATOM 826 O VAL A 58 6.781 7.590 2.822 1.00 0.00 O ATOM 827 CB VAL A 58 8.524 9.313 0.569 1.00 0.00 C ATOM 828 CG1 VAL A 58 9.786 10.162 0.522 1.00 0.00 C ATOM 829 CG2 VAL A 58 8.131 8.850 -0.826 1.00 0.00 C ATOM 0 H VAL A 58 9.333 6.632 0.141 1.00 0.00 H new ATOM 0 HA VAL A 58 9.131 8.451 2.451 1.00 0.00 H new ATOM 0 HB VAL A 58 7.716 9.928 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.629 11.011 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.019 10.523 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.616 9.560 0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.997 9.717 -1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.916 8.212 -1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.198 8.288 -0.774 1.00 0.00 H new ATOM 839 N PHE A 59 6.882 6.713 0.753 1.00 0.00 N ATOM 840 CA PHE A 59 5.599 6.028 0.861 1.00 0.00 C ATOM 841 C PHE A 59 5.795 4.557 1.214 1.00 0.00 C ATOM 842 O PHE A 59 6.444 3.814 0.479 1.00 0.00 O ATOM 843 CB PHE A 59 4.819 6.150 -0.449 1.00 0.00 C ATOM 844 CG PHE A 59 4.312 7.538 -0.718 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.586 8.224 0.243 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.561 8.158 -1.933 1.00 0.00 C ATOM 847 CE1 PHE A 59 3.119 9.502 -0.002 1.00 0.00 C ATOM 848 CE2 PHE A 59 4.097 9.435 -2.182 1.00 0.00 C ATOM 849 CZ PHE A 59 3.374 10.108 -1.216 1.00 0.00 C ATOM 0 H PHE A 59 7.356 6.581 -0.140 1.00 0.00 H new ATOM 0 HA PHE A 59 5.029 6.502 1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.460 5.840 -1.274 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.974 5.462 -0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.383 7.755 1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.124 7.637 -2.693 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.555 10.026 0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.299 9.907 -3.132 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.009 11.106 -1.410 1.00 0.00 H new ATOM 859 N GLN A 60 5.230 4.145 2.345 1.00 0.00 N ATOM 860 CA GLN A 60 5.344 2.763 2.796 1.00 0.00 C ATOM 861 C GLN A 60 3.998 2.050 2.713 1.00 0.00 C ATOM 862 O GLN A 60 2.948 2.659 2.916 1.00 0.00 O ATOM 863 CB GLN A 60 5.872 2.715 4.231 1.00 0.00 C ATOM 864 CG GLN A 60 6.259 1.319 4.690 1.00 0.00 C ATOM 865 CD GLN A 60 7.376 1.330 5.715 1.00 0.00 C ATOM 866 OE1 GLN A 60 7.182 0.936 6.866 1.00 0.00 O ATOM 867 NE2 GLN A 60 8.554 1.781 5.302 1.00 0.00 N ATOM 0 H GLN A 60 4.689 4.748 2.965 1.00 0.00 H new ATOM 0 HA GLN A 60 6.047 2.250 2.140 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.740 3.369 4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.111 3.111 4.903 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.385 0.826 5.116 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.569 0.730 3.827 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.670 2.098 4.339 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.343 1.811 5.947 1.00 0.00 H new ATOM 876 N VAL A 61 4.037 0.756 2.412 1.00 0.00 N ATOM 877 CA VAL A 61 2.821 -0.040 2.302 1.00 0.00 C ATOM 878 C VAL A 61 2.886 -1.269 3.202 1.00 0.00 C ATOM 879 O VAL A 61 3.930 -1.909 3.324 1.00 0.00 O ATOM 880 CB VAL A 61 2.575 -0.493 0.851 1.00 0.00 C ATOM 881 CG1 VAL A 61 1.251 -1.232 0.738 1.00 0.00 C ATOM 882 CG2 VAL A 61 2.612 0.700 -0.092 1.00 0.00 C ATOM 0 H VAL A 61 4.898 0.237 2.240 1.00 0.00 H new ATOM 0 HA VAL A 61 1.996 0.597 2.620 1.00 0.00 H new ATOM 0 HB VAL A 61 3.371 -1.180 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.095 -1.544 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.268 -2.110 1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.439 -0.572 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.436 0.362 -1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.838 1.413 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.588 1.181 -0.032 1.00 0.00 H new ATOM 892 N LYS A 62 1.762 -1.594 3.832 1.00 0.00 N ATOM 893 CA LYS A 62 1.688 -2.748 4.721 1.00 0.00 C ATOM 894 C LYS A 62 0.515 -3.648 4.347 1.00 0.00 C ATOM 895 O LYS A 62 -0.574 -3.168 4.035 1.00 0.00 O ATOM 896 CB LYS A 62 1.551 -2.290 6.174 1.00 0.00 C ATOM 897 CG LYS A 62 1.564 -3.432 7.176 1.00 0.00 C ATOM 898 CD LYS A 62 2.982 -3.810 7.571 1.00 0.00 C ATOM 899 CE LYS A 62 3.590 -2.783 8.514 1.00 0.00 C ATOM 900 NZ LYS A 62 3.287 -3.091 9.940 1.00 0.00 N ATOM 0 H LYS A 62 0.889 -1.074 3.743 1.00 0.00 H new ATOM 0 HA LYS A 62 2.610 -3.319 4.612 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.365 -1.603 6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.621 -1.732 6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.002 -3.144 8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.061 -4.299 6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.979 -4.789 8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.600 -3.895 6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.670 -2.753 8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.208 -1.792 8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.719 -2.368 10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.257 -3.095 10.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.674 -4.025 10.183 1.00 0.00 H new ATOM 914 N VAL A 63 0.745 -4.957 4.383 1.00 0.00 N ATOM 915 CA VAL A 63 -0.293 -5.925 4.051 1.00 0.00 C ATOM 916 C VAL A 63 -0.488 -6.931 5.179 1.00 0.00 C ATOM 917 O VAL A 63 0.436 -7.657 5.544 1.00 0.00 O ATOM 918 CB VAL A 63 0.041 -6.684 2.753 1.00 0.00 C ATOM 919 CG1 VAL A 63 -1.060 -7.678 2.416 1.00 0.00 C ATOM 920 CG2 VAL A 63 0.260 -5.708 1.606 1.00 0.00 C ATOM 0 H VAL A 63 1.641 -5.371 4.639 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.215 -5.362 3.907 1.00 0.00 H new ATOM 0 HB VAL A 63 0.965 -7.241 2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.806 -8.204 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.162 -8.397 3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.002 -7.146 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.495 -6.262 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.645 -5.121 1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.087 -5.041 1.849 1.00 0.00 H new ATOM 930 N SER A 64 -1.698 -6.969 5.728 1.00 0.00 N ATOM 931 CA SER A 64 -2.014 -7.885 6.819 1.00 0.00 C ATOM 932 C SER A 64 -3.326 -8.616 6.550 1.00 0.00 C ATOM 933 O SER A 64 -4.235 -8.074 5.923 1.00 0.00 O ATOM 934 CB SER A 64 -2.104 -7.123 8.142 1.00 0.00 C ATOM 935 OG SER A 64 -0.878 -6.477 8.443 1.00 0.00 O ATOM 0 H SER A 64 -2.475 -6.377 5.436 1.00 0.00 H new ATOM 0 HA SER A 64 -1.214 -8.622 6.886 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.904 -6.384 8.086 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.362 -7.813 8.946 1.00 0.00 H new ATOM 0 HG SER A 64 -0.962 -5.996 9.292 1.00 0.00 H new ATOM 941 N ALA A 65 -3.415 -9.852 7.031 1.00 0.00 N ATOM 942 CA ALA A 65 -4.615 -10.659 6.846 1.00 0.00 C ATOM 943 C ALA A 65 -5.508 -10.606 8.081 1.00 0.00 C ATOM 944 O ALA A 65 -5.036 -10.595 9.218 1.00 0.00 O ATOM 945 CB ALA A 65 -4.239 -12.098 6.525 1.00 0.00 C ATOM 0 H ALA A 65 -2.671 -10.316 7.552 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.175 -10.246 6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.145 -12.689 6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.648 -12.124 5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.654 -12.513 7.346 1.00 0.00 H new ATOM 951 N PRO A 66 -6.830 -10.573 7.856 1.00 0.00 N ATOM 952 CA PRO A 66 -7.817 -10.520 8.938 1.00 0.00 C ATOM 953 C PRO A 66 -7.885 -11.826 9.724 1.00 0.00 C ATOM 954 O PRO A 66 -7.811 -11.825 10.952 1.00 0.00 O ATOM 955 CB PRO A 66 -9.136 -10.269 8.204 1.00 0.00 C ATOM 956 CG PRO A 66 -8.917 -10.812 6.834 1.00 0.00 C ATOM 957 CD PRO A 66 -7.463 -10.583 6.526 1.00 0.00 C ATOM 0 HA PRO A 66 -7.572 -9.756 9.676 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.967 -10.770 8.700 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.377 -9.206 8.175 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.163 -11.873 6.791 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.554 -10.307 6.108 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.057 -11.373 5.894 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -7.307 -9.641 6.000 1.00 0.00 H new ATOM 965 N GLU A 67 -8.026 -12.936 9.007 1.00 0.00 N ATOM 966 CA GLU A 67 -8.105 -14.248 9.639 1.00 0.00 C ATOM 967 C GLU A 67 -6.729 -14.706 10.113 1.00 0.00 C ATOM 968 O GLU A 67 -6.502 -14.884 11.309 1.00 0.00 O ATOM 969 CB GLU A 67 -8.688 -15.274 8.665 1.00 0.00 C ATOM 970 CG GLU A 67 -9.269 -16.500 9.348 1.00 0.00 C ATOM 971 CD GLU A 67 -10.614 -16.228 9.992 1.00 0.00 C ATOM 972 OE1 GLU A 67 -11.482 -15.629 9.324 1.00 0.00 O ATOM 973 OE2 GLU A 67 -10.798 -16.614 11.166 1.00 0.00 O ATOM 0 H GLU A 67 -8.088 -12.953 7.989 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.761 -14.167 10.506 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.467 -14.796 8.071 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.907 -15.590 7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.376 -17.302 8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.571 -16.852 10.108 1.00 0.00 H new ATOM 980 N GLU A 68 -5.816 -14.896 9.166 1.00 0.00 N ATOM 981 CA GLU A 68 -4.463 -15.335 9.487 1.00 0.00 C ATOM 982 C GLU A 68 -3.707 -14.253 10.255 1.00 0.00 C ATOM 983 O GLU A 68 -3.411 -13.188 9.714 1.00 0.00 O ATOM 984 CB GLU A 68 -3.702 -15.695 8.209 1.00 0.00 C ATOM 985 CG GLU A 68 -4.336 -16.830 7.423 1.00 0.00 C ATOM 986 CD GLU A 68 -3.826 -18.192 7.852 1.00 0.00 C ATOM 987 OE1 GLU A 68 -2.723 -18.577 7.412 1.00 0.00 O ATOM 988 OE2 GLU A 68 -4.530 -18.873 8.627 1.00 0.00 O ATOM 0 H GLU A 68 -5.988 -14.753 8.171 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.537 -16.220 10.119 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.641 -14.813 7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.680 -15.971 8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.418 -16.795 7.550 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.135 -16.689 6.361 1.00 0.00 H new ATOM 995 N GLN A 69 -3.400 -14.536 11.516 1.00 0.00 N ATOM 996 CA GLN A 69 -2.681 -13.587 12.358 1.00 0.00 C ATOM 997 C GLN A 69 -1.349 -13.199 11.725 1.00 0.00 C ATOM 998 O GLN A 69 -0.773 -12.162 12.054 1.00 0.00 O ATOM 999 CB GLN A 69 -2.444 -14.183 13.747 1.00 0.00 C ATOM 1000 CG GLN A 69 -1.637 -15.471 13.727 1.00 0.00 C ATOM 1001 CD GLN A 69 -1.381 -16.020 15.117 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -2.302 -16.476 15.796 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -0.126 -15.981 15.548 1.00 0.00 N ATOM 0 H GLN A 69 -3.638 -15.414 11.977 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.292 -12.690 12.455 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.926 -13.449 14.365 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.407 -14.375 14.220 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.167 -16.219 13.137 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.684 -15.290 13.230 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.606 -15.594 14.952 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.106 -16.338 16.475 1.00 0.00 H new ATOM 1012 N PHE A 70 -0.865 -14.038 10.815 1.00 0.00 N ATOM 1013 CA PHE A 70 0.400 -13.783 10.136 1.00 0.00 C ATOM 1014 C PHE A 70 0.345 -14.257 8.687 1.00 0.00 C ATOM 1015 O PHE A 70 -0.260 -15.284 8.379 1.00 0.00 O ATOM 1016 CB PHE A 70 1.547 -14.481 10.870 1.00 0.00 C ATOM 1017 CG PHE A 70 2.892 -13.871 10.599 1.00 0.00 C ATOM 1018 CD1 PHE A 70 3.255 -12.671 11.189 1.00 0.00 C ATOM 1019 CD2 PHE A 70 3.794 -14.497 9.754 1.00 0.00 C ATOM 1020 CE1 PHE A 70 4.492 -12.107 10.941 1.00 0.00 C ATOM 1021 CE2 PHE A 70 5.033 -13.938 9.502 1.00 0.00 C ATOM 1022 CZ PHE A 70 5.383 -12.742 10.097 1.00 0.00 C ATOM 0 H PHE A 70 -1.330 -14.900 10.531 1.00 0.00 H new ATOM 0 HA PHE A 70 0.576 -12.707 10.141 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.353 -14.451 11.942 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.568 -15.531 10.579 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.563 -12.171 11.850 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.526 -15.433 9.287 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.762 -11.171 11.406 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.726 -14.436 8.841 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.351 -12.304 9.903 1.00 0.00 H new ATOM 1032 N THR A 71 0.981 -13.499 7.798 1.00 0.00 N ATOM 1033 CA THR A 71 1.004 -13.840 6.381 1.00 0.00 C ATOM 1034 C THR A 71 2.326 -13.435 5.740 1.00 0.00 C ATOM 1035 O THR A 71 2.762 -12.290 5.863 1.00 0.00 O ATOM 1036 CB THR A 71 -0.151 -13.160 5.622 1.00 0.00 C ATOM 1037 OG1 THR A 71 -0.481 -13.918 4.452 1.00 0.00 O ATOM 1038 CG2 THR A 71 0.224 -11.741 5.224 1.00 0.00 C ATOM 0 H THR A 71 1.487 -12.645 8.035 1.00 0.00 H new ATOM 0 HA THR A 71 0.887 -14.922 6.313 1.00 0.00 H new ATOM 0 HB THR A 71 -1.016 -13.118 6.283 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.217 -13.480 3.976 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.607 -11.281 4.689 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.446 -11.159 6.118 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.102 -11.764 4.579 1.00 0.00 H new ATOM 1046 N ARG A 72 2.961 -14.381 5.055 1.00 0.00 N ATOM 1047 CA ARG A 72 4.234 -14.123 4.394 1.00 0.00 C ATOM 1048 C ARG A 72 4.034 -13.279 3.139 1.00 0.00 C ATOM 1049 O ARG A 72 3.620 -13.786 2.097 1.00 0.00 O ATOM 1050 CB ARG A 72 4.922 -15.440 4.032 1.00 0.00 C ATOM 1051 CG ARG A 72 6.296 -15.259 3.409 1.00 0.00 C ATOM 1052 CD ARG A 72 7.309 -14.765 4.430 1.00 0.00 C ATOM 1053 NE ARG A 72 7.866 -15.858 5.222 1.00 0.00 N ATOM 1054 CZ ARG A 72 8.826 -15.697 6.126 1.00 0.00 C ATOM 1055 NH1 ARG A 72 9.334 -14.493 6.350 1.00 0.00 N ATOM 1056 NH2 ARG A 72 9.280 -16.741 6.807 1.00 0.00 N ATOM 0 H ARG A 72 2.614 -15.334 4.944 1.00 0.00 H new ATOM 0 HA ARG A 72 4.868 -13.569 5.086 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.018 -16.049 4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.288 -15.992 3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.634 -16.206 2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.232 -14.549 2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.116 -14.242 3.916 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.833 -14.043 5.093 1.00 0.00 H new ATOM 0 HE ARG A 72 7.497 -16.797 5.073 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.988 -13.688 5.828 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.071 -14.372 7.045 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.892 -17.669 6.637 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.017 -16.616 7.501 1.00 0.00 H new ATOM 1070 N VAL A 73 4.331 -11.987 3.247 1.00 0.00 N ATOM 1071 CA VAL A 73 4.184 -11.073 2.121 1.00 0.00 C ATOM 1072 C VAL A 73 5.427 -10.206 1.952 1.00 0.00 C ATOM 1073 O VAL A 73 5.918 -9.613 2.911 1.00 0.00 O ATOM 1074 CB VAL A 73 2.955 -10.161 2.295 1.00 0.00 C ATOM 1075 CG1 VAL A 73 3.052 -8.952 1.376 1.00 0.00 C ATOM 1076 CG2 VAL A 73 1.674 -10.938 2.034 1.00 0.00 C ATOM 0 H VAL A 73 4.675 -11.551 4.103 1.00 0.00 H new ATOM 0 HA VAL A 73 4.048 -11.687 1.230 1.00 0.00 H new ATOM 0 HB VAL A 73 2.933 -9.804 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.175 -8.319 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.950 -8.384 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.100 -9.286 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.816 -10.278 2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.685 -11.326 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.602 -11.767 2.738 1.00 0.00 H new ATOM 1086 N GLY A 74 5.931 -10.136 0.723 1.00 0.00 N ATOM 1087 CA GLY A 74 7.112 -9.339 0.450 1.00 0.00 C ATOM 1088 C GLY A 74 6.800 -8.102 -0.368 1.00 0.00 C ATOM 1089 O GLY A 74 7.087 -8.051 -1.564 1.00 0.00 O ATOM 0 H GLY A 74 5.542 -10.617 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.571 -9.041 1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.843 -9.948 -0.082 1.00 0.00 H new ATOM 1093 N VAL A 75 6.209 -7.101 0.277 1.00 0.00 N ATOM 1094 CA VAL A 75 5.857 -5.858 -0.398 1.00 0.00 C ATOM 1095 C VAL A 75 7.097 -5.020 -0.690 1.00 0.00 C ATOM 1096 O VAL A 75 7.921 -4.787 0.194 1.00 0.00 O ATOM 1097 CB VAL A 75 4.872 -5.022 0.441 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.649 -3.660 -0.197 1.00 0.00 C ATOM 1099 CG2 VAL A 75 3.554 -5.763 0.610 1.00 0.00 C ATOM 0 H VAL A 75 5.964 -7.127 1.267 1.00 0.00 H new ATOM 0 HA VAL A 75 5.379 -6.134 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 75 5.305 -4.867 1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.950 -3.084 0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.598 -3.128 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.238 -3.790 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.870 -5.158 1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.114 -5.951 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.732 -6.712 1.115 1.00 0.00 H new ATOM 1109 N GLN A 76 7.222 -4.571 -1.934 1.00 0.00 N ATOM 1110 CA GLN A 76 8.362 -3.759 -2.342 1.00 0.00 C ATOM 1111 C GLN A 76 7.910 -2.564 -3.175 1.00 0.00 C ATOM 1112 O GLN A 76 7.154 -2.714 -4.136 1.00 0.00 O ATOM 1113 CB GLN A 76 9.357 -4.604 -3.139 1.00 0.00 C ATOM 1114 CG GLN A 76 10.662 -3.885 -3.440 1.00 0.00 C ATOM 1115 CD GLN A 76 11.547 -3.745 -2.216 1.00 0.00 C ATOM 1116 OE1 GLN A 76 11.488 -2.741 -1.505 1.00 0.00 O ATOM 1117 NE2 GLN A 76 12.373 -4.753 -1.964 1.00 0.00 N ATOM 0 H GLN A 76 6.548 -4.756 -2.677 1.00 0.00 H new ATOM 0 HA GLN A 76 8.851 -3.386 -1.442 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.574 -5.516 -2.582 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.894 -4.907 -4.078 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.202 -4.430 -4.214 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.443 -2.895 -3.841 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.389 -5.566 -2.580 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.992 -4.715 -1.154 1.00 0.00 H new ATOM 1126 N VAL A 77 8.376 -1.377 -2.800 1.00 0.00 N ATOM 1127 CA VAL A 77 8.020 -0.156 -3.513 1.00 0.00 C ATOM 1128 C VAL A 77 9.149 0.291 -4.434 1.00 0.00 C ATOM 1129 O VAL A 77 10.166 0.816 -3.978 1.00 0.00 O ATOM 1130 CB VAL A 77 7.686 0.987 -2.536 1.00 0.00 C ATOM 1131 CG1 VAL A 77 8.908 1.357 -1.709 1.00 0.00 C ATOM 1132 CG2 VAL A 77 7.157 2.196 -3.292 1.00 0.00 C ATOM 0 H VAL A 77 9.001 -1.235 -2.006 1.00 0.00 H new ATOM 0 HA VAL A 77 7.137 -0.384 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 77 6.907 0.644 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.653 2.166 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.237 0.489 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.711 1.681 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.926 2.994 -2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.912 2.543 -3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.253 1.919 -3.835 1.00 0.00 H new ATOM 1142 N LEU A 78 8.964 0.081 -5.733 1.00 0.00 N ATOM 1143 CA LEU A 78 9.967 0.464 -6.720 1.00 0.00 C ATOM 1144 C LEU A 78 9.580 1.766 -7.414 1.00 0.00 C ATOM 1145 O LEU A 78 8.442 1.933 -7.853 1.00 0.00 O ATOM 1146 CB LEU A 78 10.140 -0.647 -7.757 1.00 0.00 C ATOM 1147 CG LEU A 78 11.529 -0.768 -8.386 1.00 0.00 C ATOM 1148 CD1 LEU A 78 11.860 0.477 -9.193 1.00 0.00 C ATOM 1149 CD2 LEU A 78 12.581 -1.006 -7.313 1.00 0.00 C ATOM 0 H LEU A 78 8.129 -0.352 -6.127 1.00 0.00 H new ATOM 0 HA LEU A 78 10.912 0.618 -6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.892 -1.598 -7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.414 -0.488 -8.555 1.00 0.00 H new ATOM 0 HG LEU A 78 11.528 -1.623 -9.061 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.852 0.372 -9.633 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.123 0.603 -9.986 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.843 1.349 -8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 78 13.563 -1.090 -7.778 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.581 -0.171 -6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.353 -1.928 -6.778 1.00 0.00 H new ATOM 1161 N ASP A 79 10.534 2.685 -7.510 1.00 0.00 N ATOM 1162 CA ASP A 79 10.294 3.972 -8.153 1.00 0.00 C ATOM 1163 C ASP A 79 10.834 3.976 -9.580 1.00 0.00 C ATOM 1164 O ASP A 79 12.037 3.832 -9.799 1.00 0.00 O ATOM 1165 CB ASP A 79 10.942 5.098 -7.346 1.00 0.00 C ATOM 1166 CG ASP A 79 12.310 4.717 -6.816 1.00 0.00 C ATOM 1167 OD1 ASP A 79 13.308 4.937 -7.534 1.00 0.00 O ATOM 1168 OD2 ASP A 79 12.383 4.200 -5.681 1.00 0.00 O ATOM 0 H ASP A 79 11.481 2.563 -7.151 1.00 0.00 H new ATOM 0 HA ASP A 79 9.217 4.136 -8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.033 5.985 -7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.293 5.363 -6.511 1.00 0.00 H new ATOM 1173 N ARG A 80 9.937 4.140 -10.546 1.00 0.00 N ATOM 1174 CA ARG A 80 10.324 4.159 -11.952 1.00 0.00 C ATOM 1175 C ARG A 80 10.548 5.590 -12.434 1.00 0.00 C ATOM 1176 O ARG A 80 10.219 5.933 -13.570 1.00 0.00 O ATOM 1177 CB ARG A 80 9.250 3.485 -12.807 1.00 0.00 C ATOM 1178 CG ARG A 80 8.669 2.229 -12.177 1.00 0.00 C ATOM 1179 CD ARG A 80 7.967 1.361 -13.209 1.00 0.00 C ATOM 1180 NE ARG A 80 8.885 0.887 -14.242 1.00 0.00 N ATOM 1181 CZ ARG A 80 9.780 -0.074 -14.044 1.00 0.00 C ATOM 1182 NH1 ARG A 80 9.877 -0.661 -12.859 1.00 0.00 N ATOM 1183 NH2 ARG A 80 10.581 -0.450 -15.033 1.00 0.00 N ATOM 0 H ARG A 80 8.938 4.262 -10.382 1.00 0.00 H new ATOM 0 HA ARG A 80 11.259 3.608 -12.054 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.444 4.196 -12.990 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.677 3.231 -13.777 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.466 1.658 -11.701 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.964 2.507 -11.393 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.508 0.506 -12.712 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.161 1.930 -13.673 1.00 0.00 H new ATOM 0 HE ARG A 80 8.836 1.318 -15.165 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.263 -0.375 -12.096 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.565 -1.399 -12.710 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.510 -0.001 -15.946 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.268 -1.188 -14.880 1.00 0.00 H new ATOM 1197 N LYS A 81 11.111 6.421 -11.563 1.00 0.00 N ATOM 1198 CA LYS A 81 11.381 7.814 -11.898 1.00 0.00 C ATOM 1199 C LYS A 81 10.286 8.379 -12.797 1.00 0.00 C ATOM 1200 O LYS A 81 10.570 9.008 -13.816 1.00 0.00 O ATOM 1201 CB LYS A 81 12.740 7.938 -12.591 1.00 0.00 C ATOM 1202 CG LYS A 81 13.916 7.929 -11.631 1.00 0.00 C ATOM 1203 CD LYS A 81 14.091 9.276 -10.949 1.00 0.00 C ATOM 1204 CE LYS A 81 15.075 9.192 -9.793 1.00 0.00 C ATOM 1205 NZ LYS A 81 15.322 10.525 -9.176 1.00 0.00 N ATOM 0 H LYS A 81 11.389 6.153 -10.619 1.00 0.00 H new ATOM 0 HA LYS A 81 11.398 8.389 -10.972 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.854 7.117 -13.299 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.761 8.862 -13.169 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.766 7.156 -10.878 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.827 7.674 -12.173 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.443 10.009 -11.675 1.00 0.00 H new ATOM 0 HD3 LYS A 81 13.127 9.627 -10.582 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.689 8.508 -9.037 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.018 8.776 -10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.998 10.425 -8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.714 11.171 -9.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.427 10.911 -8.814 1.00 0.00 H new ATOM 1219 N ASP A 82 9.035 8.152 -12.411 1.00 0.00 N ATOM 1220 CA ASP A 82 7.897 8.642 -13.181 1.00 0.00 C ATOM 1221 C ASP A 82 6.927 9.410 -12.289 1.00 0.00 C ATOM 1222 O ASP A 82 5.771 9.622 -12.650 1.00 0.00 O ATOM 1223 CB ASP A 82 7.174 7.477 -13.858 1.00 0.00 C ATOM 1224 CG ASP A 82 6.218 6.765 -12.921 1.00 0.00 C ATOM 1225 OD1 ASP A 82 6.698 6.061 -12.008 1.00 0.00 O ATOM 1226 OD2 ASP A 82 4.991 6.912 -13.100 1.00 0.00 O ATOM 0 H ASP A 82 8.783 7.632 -11.570 1.00 0.00 H new ATOM 0 HA ASP A 82 8.273 9.321 -13.947 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.622 7.848 -14.722 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.910 6.765 -14.232 1.00 0.00 H new ATOM 1231 N GLY A 83 7.407 9.824 -11.120 1.00 0.00 N ATOM 1232 CA GLY A 83 6.570 10.562 -10.193 1.00 0.00 C ATOM 1233 C GLY A 83 5.764 9.652 -9.288 1.00 0.00 C ATOM 1234 O GLY A 83 5.618 9.922 -8.096 1.00 0.00 O ATOM 0 H GLY A 83 8.361 9.661 -10.799 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.196 11.214 -9.583 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.892 11.205 -10.754 1.00 0.00 H new ATOM 1238 N SER A 84 5.238 8.571 -9.855 1.00 0.00 N ATOM 1239 CA SER A 84 4.438 7.620 -9.092 1.00 0.00 C ATOM 1240 C SER A 84 5.246 6.368 -8.766 1.00 0.00 C ATOM 1241 O SER A 84 6.215 6.044 -9.453 1.00 0.00 O ATOM 1242 CB SER A 84 3.179 7.239 -9.873 1.00 0.00 C ATOM 1243 OG SER A 84 2.398 8.383 -10.174 1.00 0.00 O ATOM 0 H SER A 84 5.351 8.332 -10.840 1.00 0.00 H new ATOM 0 HA SER A 84 4.147 8.097 -8.156 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.460 6.734 -10.797 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.586 6.533 -9.291 1.00 0.00 H new ATOM 0 HG SER A 84 1.600 8.112 -10.675 1.00 0.00 H new ATOM 1249 N PHE A 85 4.841 5.667 -7.712 1.00 0.00 N ATOM 1250 CA PHE A 85 5.527 4.451 -7.293 1.00 0.00 C ATOM 1251 C PHE A 85 4.646 3.225 -7.515 1.00 0.00 C ATOM 1252 O PHE A 85 3.451 3.244 -7.218 1.00 0.00 O ATOM 1253 CB PHE A 85 5.924 4.547 -5.818 1.00 0.00 C ATOM 1254 CG PHE A 85 6.685 5.797 -5.482 1.00 0.00 C ATOM 1255 CD1 PHE A 85 7.524 6.385 -6.415 1.00 0.00 C ATOM 1256 CD2 PHE A 85 6.562 6.385 -4.234 1.00 0.00 C ATOM 1257 CE1 PHE A 85 8.226 7.536 -6.110 1.00 0.00 C ATOM 1258 CE2 PHE A 85 7.261 7.536 -3.922 1.00 0.00 C ATOM 1259 CZ PHE A 85 8.095 8.111 -4.861 1.00 0.00 C ATOM 0 H PHE A 85 4.041 5.921 -7.132 1.00 0.00 H new ATOM 0 HA PHE A 85 6.427 4.344 -7.899 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.024 4.503 -5.204 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.531 3.680 -5.556 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.631 5.938 -7.393 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.912 5.939 -3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.876 7.985 -6.847 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.155 7.985 -2.945 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.644 9.009 -4.619 1.00 0.00 H new ATOM 1269 N ILE A 86 5.244 2.162 -8.041 1.00 0.00 N ATOM 1270 CA ILE A 86 4.515 0.927 -8.303 1.00 0.00 C ATOM 1271 C ILE A 86 4.811 -0.123 -7.237 1.00 0.00 C ATOM 1272 O ILE A 86 5.945 -0.581 -7.100 1.00 0.00 O ATOM 1273 CB ILE A 86 4.864 0.350 -9.687 1.00 0.00 C ATOM 1274 CG1 ILE A 86 4.200 -1.015 -9.877 1.00 0.00 C ATOM 1275 CG2 ILE A 86 6.373 0.238 -9.849 1.00 0.00 C ATOM 1276 CD1 ILE A 86 4.491 -1.647 -11.220 1.00 0.00 C ATOM 0 H ILE A 86 6.232 2.131 -8.294 1.00 0.00 H new ATOM 0 HA ILE A 86 3.454 1.176 -8.280 1.00 0.00 H new ATOM 0 HB ILE A 86 4.485 1.027 -10.453 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.537 -1.687 -9.088 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.122 -0.904 -9.763 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.604 -0.171 -10.832 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.824 1.226 -9.752 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.774 -0.421 -9.078 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.988 -2.612 -11.285 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.129 -0.995 -12.015 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.566 -1.790 -11.330 1.00 0.00 H new ATOM 1288 N VAL A 87 3.782 -0.502 -6.486 1.00 0.00 N ATOM 1289 CA VAL A 87 3.930 -1.501 -5.434 1.00 0.00 C ATOM 1290 C VAL A 87 3.812 -2.913 -5.997 1.00 0.00 C ATOM 1291 O VAL A 87 2.877 -3.222 -6.736 1.00 0.00 O ATOM 1292 CB VAL A 87 2.876 -1.311 -4.327 1.00 0.00 C ATOM 1293 CG1 VAL A 87 3.146 -2.255 -3.165 1.00 0.00 C ATOM 1294 CG2 VAL A 87 2.854 0.135 -3.856 1.00 0.00 C ATOM 0 H VAL A 87 2.837 -0.132 -6.586 1.00 0.00 H new ATOM 0 HA VAL A 87 4.923 -1.366 -5.006 1.00 0.00 H new ATOM 0 HB VAL A 87 1.895 -1.550 -4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.391 -2.106 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.107 -3.286 -3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.134 -2.050 -2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.104 0.252 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.834 0.404 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.608 0.787 -4.694 1.00 0.00 H new ATOM 1304 N ARG A 88 4.766 -3.767 -5.642 1.00 0.00 N ATOM 1305 CA ARG A 88 4.769 -5.147 -6.112 1.00 0.00 C ATOM 1306 C ARG A 88 5.066 -6.111 -4.966 1.00 0.00 C ATOM 1307 O ARG A 88 5.971 -5.878 -4.165 1.00 0.00 O ATOM 1308 CB ARG A 88 5.803 -5.327 -7.225 1.00 0.00 C ATOM 1309 CG ARG A 88 5.474 -4.557 -8.493 1.00 0.00 C ATOM 1310 CD ARG A 88 6.509 -4.803 -9.579 1.00 0.00 C ATOM 1311 NE ARG A 88 6.493 -6.187 -10.047 1.00 0.00 N ATOM 1312 CZ ARG A 88 7.167 -7.169 -9.458 1.00 0.00 C ATOM 1313 NH1 ARG A 88 7.905 -6.921 -8.386 1.00 0.00 N ATOM 1314 NH2 ARG A 88 7.102 -8.402 -9.943 1.00 0.00 N ATOM 0 H ARG A 88 5.547 -3.528 -5.031 1.00 0.00 H new ATOM 0 HA ARG A 88 3.778 -5.372 -6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.778 -5.007 -6.858 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.885 -6.387 -7.465 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.489 -4.853 -8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.425 -3.491 -8.270 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.319 -4.134 -10.419 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.501 -4.561 -9.196 1.00 0.00 H new ATOM 0 HE ARG A 88 5.934 -6.411 -10.870 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.957 -5.974 -8.011 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.421 -7.677 -7.936 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.535 -8.596 -10.768 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.619 -9.156 -9.491 1.00 0.00 H new ATOM 1328 N TYR A 89 4.298 -7.192 -4.896 1.00 0.00 N ATOM 1329 CA TYR A 89 4.476 -8.190 -3.848 1.00 0.00 C ATOM 1330 C TYR A 89 4.331 -9.601 -4.408 1.00 0.00 C ATOM 1331 O TYR A 89 3.691 -9.809 -5.439 1.00 0.00 O ATOM 1332 CB TYR A 89 3.460 -7.968 -2.726 1.00 0.00 C ATOM 1333 CG TYR A 89 2.031 -7.878 -3.212 1.00 0.00 C ATOM 1334 CD1 TYR A 89 1.628 -6.851 -4.057 1.00 0.00 C ATOM 1335 CD2 TYR A 89 1.085 -8.818 -2.825 1.00 0.00 C ATOM 1336 CE1 TYR A 89 0.323 -6.765 -4.503 1.00 0.00 C ATOM 1337 CE2 TYR A 89 -0.222 -8.740 -3.267 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.598 -7.712 -4.106 1.00 0.00 C ATOM 1339 OH TYR A 89 -1.898 -7.629 -4.547 1.00 0.00 O ATOM 0 H TYR A 89 3.546 -7.400 -5.553 1.00 0.00 H new ATOM 0 HA TYR A 89 5.483 -8.081 -3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.540 -8.784 -2.008 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.713 -7.050 -2.195 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.346 -6.108 -4.370 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.376 -9.624 -2.167 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.026 -5.960 -5.159 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.945 -9.480 -2.957 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.417 -8.373 -4.176 1.00 0.00 H new ATOM 1349 N ARG A 90 4.931 -10.568 -3.721 1.00 0.00 N ATOM 1350 CA ARG A 90 4.870 -11.960 -4.149 1.00 0.00 C ATOM 1351 C ARG A 90 4.358 -12.854 -3.023 1.00 0.00 C ATOM 1352 O ARG A 90 4.775 -12.720 -1.873 1.00 0.00 O ATOM 1353 CB ARG A 90 6.251 -12.437 -4.604 1.00 0.00 C ATOM 1354 CG ARG A 90 6.202 -13.593 -5.590 1.00 0.00 C ATOM 1355 CD ARG A 90 5.925 -13.109 -7.004 1.00 0.00 C ATOM 1356 NE ARG A 90 6.176 -14.149 -7.998 1.00 0.00 N ATOM 1357 CZ ARG A 90 5.339 -15.152 -8.239 1.00 0.00 C ATOM 1358 NH1 ARG A 90 4.203 -15.250 -7.562 1.00 0.00 N ATOM 1359 NH2 ARG A 90 5.637 -16.060 -9.160 1.00 0.00 N ATOM 0 H ARG A 90 5.465 -10.413 -2.866 1.00 0.00 H new ATOM 0 HA ARG A 90 4.175 -12.026 -4.986 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.782 -11.602 -5.062 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.827 -12.740 -3.730 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.149 -14.132 -5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.428 -14.298 -5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.889 -12.780 -7.078 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.551 -12.243 -7.220 1.00 0.00 H new ATOM 0 HE ARG A 90 7.041 -14.103 -8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.970 -14.554 -6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.562 -16.021 -7.749 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.509 -15.988 -9.684 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.994 -16.830 -9.344 1.00 0.00 H new ATOM 1373 N MET A 91 3.451 -13.764 -3.363 1.00 0.00 N ATOM 1374 CA MET A 91 2.882 -14.679 -2.381 1.00 0.00 C ATOM 1375 C MET A 91 2.485 -15.999 -3.034 1.00 0.00 C ATOM 1376 O MET A 91 1.598 -16.038 -3.887 1.00 0.00 O ATOM 1377 CB MET A 91 1.665 -14.044 -1.705 1.00 0.00 C ATOM 1378 CG MET A 91 1.122 -14.859 -0.542 1.00 0.00 C ATOM 1379 SD MET A 91 0.281 -13.841 0.686 1.00 0.00 S ATOM 1380 CE MET A 91 -1.241 -14.760 0.902 1.00 0.00 C ATOM 0 H MET A 91 3.095 -13.887 -4.311 1.00 0.00 H new ATOM 0 HA MET A 91 3.642 -14.882 -1.627 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.936 -13.051 -1.347 1.00 0.00 H new ATOM 0 HB3 MET A 91 0.876 -13.912 -2.445 1.00 0.00 H new ATOM 0 HG2 MET A 91 0.429 -15.610 -0.922 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.942 -15.395 -0.064 1.00 0.00 H new ATOM 0 HE1 MET A 91 -1.984 -14.125 1.384 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.614 -15.080 -0.071 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.053 -15.635 1.524 1.00 0.00 H new ATOM 1390 N TYR A 92 3.147 -17.077 -2.629 1.00 0.00 N ATOM 1391 CA TYR A 92 2.864 -18.399 -3.177 1.00 0.00 C ATOM 1392 C TYR A 92 1.789 -19.109 -2.360 1.00 0.00 C ATOM 1393 O TYR A 92 1.924 -20.285 -2.026 1.00 0.00 O ATOM 1394 CB TYR A 92 4.138 -19.244 -3.209 1.00 0.00 C ATOM 1395 CG TYR A 92 5.144 -18.785 -4.240 1.00 0.00 C ATOM 1396 CD1 TYR A 92 4.776 -18.607 -5.568 1.00 0.00 C ATOM 1397 CD2 TYR A 92 6.463 -18.528 -3.885 1.00 0.00 C ATOM 1398 CE1 TYR A 92 5.692 -18.189 -6.513 1.00 0.00 C ATOM 1399 CE2 TYR A 92 7.386 -18.107 -4.824 1.00 0.00 C ATOM 1400 CZ TYR A 92 6.996 -17.940 -6.136 1.00 0.00 C ATOM 1401 OH TYR A 92 7.911 -17.521 -7.075 1.00 0.00 O ATOM 0 H TYR A 92 3.883 -17.062 -1.923 1.00 0.00 H new ATOM 0 HA TYR A 92 2.495 -18.271 -4.195 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.604 -19.221 -2.224 1.00 0.00 H new ATOM 0 HB3 TYR A 92 3.871 -20.281 -3.411 1.00 0.00 H new ATOM 0 HD1 TYR A 92 3.756 -18.799 -5.866 1.00 0.00 H new ATOM 0 HD2 TYR A 92 6.772 -18.659 -2.858 1.00 0.00 H new ATOM 0 HE1 TYR A 92 5.390 -18.058 -7.541 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.407 -17.910 -4.532 1.00 0.00 H new ATOM 0 HH TYR A 92 8.782 -17.389 -6.647 1.00 0.00 H new ATOM 1411 N ALA A 93 0.721 -18.384 -2.042 1.00 0.00 N ATOM 1412 CA ALA A 93 -0.379 -18.944 -1.267 1.00 0.00 C ATOM 1413 C ALA A 93 -1.696 -18.254 -1.606 1.00 0.00 C ATOM 1414 O ALA A 93 -1.858 -17.056 -1.374 1.00 0.00 O ATOM 1415 CB ALA A 93 -0.088 -18.828 0.222 1.00 0.00 C ATOM 0 H ALA A 93 0.595 -17.408 -2.309 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.474 -19.998 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.918 -19.250 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.826 -19.372 0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.036 -17.778 0.488 1.00 0.00 H new ATOM 1421 N SER A 94 -2.634 -19.018 -2.157 1.00 0.00 N ATOM 1422 CA SER A 94 -3.936 -18.479 -2.533 1.00 0.00 C ATOM 1423 C SER A 94 -4.401 -17.431 -1.526 1.00 0.00 C ATOM 1424 O SER A 94 -4.414 -17.677 -0.319 1.00 0.00 O ATOM 1425 CB SER A 94 -4.969 -19.604 -2.629 1.00 0.00 C ATOM 1426 OG SER A 94 -4.620 -20.530 -3.644 1.00 0.00 O ATOM 0 H SER A 94 -2.517 -20.012 -2.353 1.00 0.00 H new ATOM 0 HA SER A 94 -3.837 -18.002 -3.508 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.041 -20.119 -1.671 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.952 -19.183 -2.839 1.00 0.00 H new ATOM 0 HG SER A 94 -5.294 -21.240 -3.685 1.00 0.00 H new ATOM 1432 N TYR A 95 -4.781 -16.263 -2.030 1.00 0.00 N ATOM 1433 CA TYR A 95 -5.245 -15.176 -1.176 1.00 0.00 C ATOM 1434 C TYR A 95 -6.624 -14.691 -1.612 1.00 0.00 C ATOM 1435 O TYR A 95 -6.779 -14.098 -2.680 1.00 0.00 O ATOM 1436 CB TYR A 95 -4.250 -14.015 -1.208 1.00 0.00 C ATOM 1437 CG TYR A 95 -3.652 -13.767 -2.574 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -4.285 -12.936 -3.491 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -2.455 -14.364 -2.950 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -3.743 -12.707 -4.741 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -1.905 -14.140 -4.197 1.00 0.00 C ATOM 1442 CZ TYR A 95 -2.553 -13.311 -5.089 1.00 0.00 C ATOM 1443 OH TYR A 95 -2.009 -13.086 -6.333 1.00 0.00 O ATOM 0 H TYR A 95 -4.777 -16.044 -3.026 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.319 -15.555 -0.157 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.752 -13.108 -0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.446 -14.217 -0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.217 -12.461 -3.222 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -1.946 -15.015 -2.255 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.248 -12.059 -5.442 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -0.973 -14.611 -4.472 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.529 -13.568 -7.009 1.00 0.00 H new ATOM 1453 N LYS A 96 -7.625 -14.948 -0.776 1.00 0.00 N ATOM 1454 CA LYS A 96 -8.993 -14.537 -1.071 1.00 0.00 C ATOM 1455 C LYS A 96 -9.194 -13.056 -0.768 1.00 0.00 C ATOM 1456 O LYS A 96 -9.666 -12.298 -1.614 1.00 0.00 O ATOM 1457 CB LYS A 96 -9.985 -15.374 -0.260 1.00 0.00 C ATOM 1458 CG LYS A 96 -11.343 -15.519 -0.923 1.00 0.00 C ATOM 1459 CD LYS A 96 -12.226 -16.504 -0.176 1.00 0.00 C ATOM 1460 CE LYS A 96 -13.693 -16.322 -0.535 1.00 0.00 C ATOM 1461 NZ LYS A 96 -14.554 -17.354 0.107 1.00 0.00 N ATOM 0 H LYS A 96 -7.514 -15.439 0.111 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.173 -14.700 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.562 -16.365 -0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.116 -14.917 0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.835 -14.547 -0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.213 -15.854 -1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.917 -17.522 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.094 -16.371 0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.022 -15.330 -0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.811 -16.373 -1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.546 -17.195 -0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.257 -18.299 -0.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.462 -17.289 1.141 1.00 0.00 H new ATOM 1475 N ASN A 97 -8.830 -12.650 0.444 1.00 0.00 N ATOM 1476 CA ASN A 97 -8.970 -11.259 0.859 1.00 0.00 C ATOM 1477 C ASN A 97 -7.702 -10.767 1.550 1.00 0.00 C ATOM 1478 O ASN A 97 -7.063 -11.508 2.300 1.00 0.00 O ATOM 1479 CB ASN A 97 -10.169 -11.102 1.796 1.00 0.00 C ATOM 1480 CG ASN A 97 -10.161 -9.774 2.528 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -10.860 -8.836 2.143 1.00 0.00 O ATOM 1482 ND2 ASN A 97 -9.368 -9.688 3.589 1.00 0.00 N ATOM 0 H ASN A 97 -8.436 -13.265 1.156 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.134 -10.655 -0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -11.090 -11.191 1.220 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.167 -11.914 2.523 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.321 -8.819 4.121 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.806 -10.491 3.872 1.00 0.00 H new ATOM 1489 N LEU A 98 -7.343 -9.514 1.295 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.152 -8.922 1.893 1.00 0.00 C ATOM 1491 C LEU A 98 -6.398 -7.464 2.268 1.00 0.00 C ATOM 1492 O LEU A 98 -6.971 -6.700 1.490 1.00 0.00 O ATOM 1493 CB LEU A 98 -4.970 -9.021 0.928 1.00 0.00 C ATOM 1494 CG LEU A 98 -4.599 -10.429 0.461 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -3.721 -10.367 -0.779 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -3.899 -11.193 1.576 1.00 0.00 C ATOM 0 H LEU A 98 -7.860 -8.888 0.678 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.918 -9.476 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.193 -8.416 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.097 -8.578 1.408 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.516 -10.959 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.467 -11.379 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.258 -9.859 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.807 -9.819 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.642 -12.193 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.990 -10.665 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.563 -11.269 2.437 1.00 0.00 H new ATOM 1508 N LYS A 99 -5.959 -7.083 3.462 1.00 0.00 N ATOM 1509 CA LYS A 99 -6.127 -5.716 3.940 1.00 0.00 C ATOM 1510 C LYS A 99 -4.940 -4.848 3.534 1.00 0.00 C ATOM 1511 O LYS A 99 -3.812 -5.079 3.970 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.286 -5.701 5.462 1.00 0.00 C ATOM 1513 CG LYS A 99 -6.631 -4.333 6.024 1.00 0.00 C ATOM 1514 CD LYS A 99 -6.552 -4.318 7.541 1.00 0.00 C ATOM 1515 CE LYS A 99 -7.524 -5.309 8.161 1.00 0.00 C ATOM 1516 NZ LYS A 99 -7.660 -5.110 9.630 1.00 0.00 N ATOM 0 H LYS A 99 -5.483 -7.703 4.118 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.028 -5.306 3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.066 -6.408 5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.360 -6.049 5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.948 -3.588 5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.636 -4.052 5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.536 -4.558 7.856 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.771 -3.315 7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.501 -5.203 7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.182 -6.325 7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.331 -5.805 10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.733 -5.236 10.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.011 -4.149 9.819 1.00 0.00 H new ATOM 1530 N VAL A 100 -5.202 -3.848 2.699 1.00 0.00 N ATOM 1531 CA VAL A 100 -4.156 -2.944 2.236 1.00 0.00 C ATOM 1532 C VAL A 100 -4.020 -1.741 3.163 1.00 0.00 C ATOM 1533 O VAL A 100 -5.016 -1.195 3.636 1.00 0.00 O ATOM 1534 CB VAL A 100 -4.435 -2.447 0.805 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -3.278 -1.600 0.298 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -4.695 -3.622 -0.125 1.00 0.00 C ATOM 0 H VAL A 100 -6.130 -3.643 2.329 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.224 -3.510 2.240 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.329 -1.823 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.494 -1.258 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.145 -0.738 0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.365 -2.196 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.890 -3.253 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.822 -4.274 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.560 -4.183 0.230 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.781 -1.333 3.417 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.516 -0.194 4.288 1.00 0.00 C ATOM 1548 C GLU A 101 -1.420 0.694 3.704 1.00 0.00 C ATOM 1549 O GLU A 101 -0.486 0.207 3.066 1.00 0.00 O ATOM 1550 CB GLU A 101 -2.109 -0.674 5.683 1.00 0.00 C ATOM 1551 CG GLU A 101 -3.278 -1.157 6.524 1.00 0.00 C ATOM 1552 CD GLU A 101 -2.833 -1.913 7.761 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -2.131 -1.315 8.602 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -3.188 -3.104 7.887 1.00 0.00 O ATOM 0 H GLU A 101 -1.945 -1.774 3.032 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.432 0.392 4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.385 -1.483 5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.607 0.140 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.883 -0.301 6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.915 -1.802 5.918 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.542 1.998 3.926 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.563 2.953 3.423 1.00 0.00 C ATOM 1563 C ILE A 102 -0.432 4.151 4.359 1.00 0.00 C ATOM 1564 O ILE A 102 -1.429 4.752 4.759 1.00 0.00 O ATOM 1565 CB ILE A 102 -0.937 3.454 2.016 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.021 2.280 1.039 1.00 0.00 C ATOM 1567 CG2 ILE A 102 0.077 4.481 1.533 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -2.364 1.584 1.046 1.00 0.00 C ATOM 0 H ILE A 102 -2.309 2.417 4.451 1.00 0.00 H new ATOM 0 HA ILE A 102 0.391 2.429 3.371 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.915 3.933 2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -0.813 2.640 0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.244 1.556 1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.201 4.826 0.537 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.092 5.328 2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.067 4.026 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.352 0.762 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.566 1.193 2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.143 2.294 0.770 1.00 0.00 H new ATOM 1580 N LYS A 103 0.804 4.493 4.703 1.00 0.00 N ATOM 1581 CA LYS A 103 1.068 5.621 5.589 1.00 0.00 C ATOM 1582 C LYS A 103 2.359 6.332 5.196 1.00 0.00 C ATOM 1583 O LYS A 103 3.203 5.767 4.500 1.00 0.00 O ATOM 1584 CB LYS A 103 1.158 5.145 7.041 1.00 0.00 C ATOM 1585 CG LYS A 103 -0.195 4.897 7.685 1.00 0.00 C ATOM 1586 CD LYS A 103 -0.057 4.165 9.009 1.00 0.00 C ATOM 1587 CE LYS A 103 0.172 2.676 8.801 1.00 0.00 C ATOM 1588 NZ LYS A 103 1.610 2.363 8.573 1.00 0.00 N ATOM 0 H LYS A 103 1.640 4.005 4.382 1.00 0.00 H new ATOM 0 HA LYS A 103 0.242 6.326 5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.742 4.226 7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.698 5.889 7.626 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.702 5.848 7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.819 4.313 7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.774 4.587 9.574 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.957 4.316 9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.185 2.128 9.673 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.414 2.334 7.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.774 2.205 7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.194 3.159 8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.867 1.506 9.103 1.00 0.00 H new ATOM 1602 N PHE A 104 2.506 7.573 5.646 1.00 0.00 N ATOM 1603 CA PHE A 104 3.694 8.362 5.341 1.00 0.00 C ATOM 1604 C PHE A 104 4.206 9.078 6.587 1.00 0.00 C ATOM 1605 O PHE A 104 3.602 10.044 7.052 1.00 0.00 O ATOM 1606 CB PHE A 104 3.387 9.382 4.242 1.00 0.00 C ATOM 1607 CG PHE A 104 4.253 10.608 4.304 1.00 0.00 C ATOM 1608 CD1 PHE A 104 5.617 10.520 4.079 1.00 0.00 C ATOM 1609 CD2 PHE A 104 3.702 11.847 4.587 1.00 0.00 C ATOM 1610 CE1 PHE A 104 6.417 11.647 4.135 1.00 0.00 C ATOM 1611 CE2 PHE A 104 4.497 12.977 4.644 1.00 0.00 C ATOM 1612 CZ PHE A 104 5.856 12.876 4.418 1.00 0.00 C ATOM 0 H PHE A 104 1.817 8.055 6.224 1.00 0.00 H new ATOM 0 HA PHE A 104 4.470 7.683 4.989 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.514 8.906 3.270 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.341 9.681 4.317 1.00 0.00 H new ATOM 0 HD1 PHE A 104 6.061 9.561 3.857 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.640 11.931 4.765 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.479 11.565 3.958 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.056 13.938 4.865 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.479 13.757 4.463 1.00 0.00 H new ATOM 1622 N GLN A 105 5.324 8.596 7.122 1.00 0.00 N ATOM 1623 CA GLN A 105 5.916 9.189 8.315 1.00 0.00 C ATOM 1624 C GLN A 105 4.890 9.294 9.438 1.00 0.00 C ATOM 1625 O GLN A 105 4.887 10.259 10.201 1.00 0.00 O ATOM 1626 CB GLN A 105 6.483 10.573 7.994 1.00 0.00 C ATOM 1627 CG GLN A 105 7.851 10.532 7.333 1.00 0.00 C ATOM 1628 CD GLN A 105 8.971 10.280 8.324 1.00 0.00 C ATOM 1629 OE1 GLN A 105 8.756 9.692 9.384 1.00 0.00 O ATOM 1630 NE2 GLN A 105 10.174 10.726 7.983 1.00 0.00 N ATOM 0 H GLN A 105 5.837 7.798 6.748 1.00 0.00 H new ATOM 0 HA GLN A 105 6.726 8.541 8.649 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.788 11.098 7.339 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.551 11.151 8.916 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.860 9.750 6.574 1.00 0.00 H new ATOM 0 HG3 GLN A 105 8.031 11.477 6.820 1.00 0.00 H new ATOM 0 HE21 GLN A 105 10.306 11.208 7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.966 10.586 8.610 1.00 0.00 H new ATOM 1639 N GLY A 106 4.019 8.294 9.533 1.00 0.00 N ATOM 1640 CA GLY A 106 2.999 8.294 10.565 1.00 0.00 C ATOM 1641 C GLY A 106 1.768 9.080 10.164 1.00 0.00 C ATOM 1642 O GLY A 106 1.061 9.617 11.017 1.00 0.00 O ATOM 0 H GLY A 106 4.002 7.484 8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.713 7.266 10.789 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.413 8.716 11.481 1.00 0.00 H new ATOM 1646 N GLN A 107 1.510 9.150 8.862 1.00 0.00 N ATOM 1647 CA GLN A 107 0.356 9.879 8.350 1.00 0.00 C ATOM 1648 C GLN A 107 -0.308 9.116 7.209 1.00 0.00 C ATOM 1649 O GLN A 107 0.229 9.039 6.104 1.00 0.00 O ATOM 1650 CB GLN A 107 0.777 11.270 7.871 1.00 0.00 C ATOM 1651 CG GLN A 107 1.272 12.174 8.989 1.00 0.00 C ATOM 1652 CD GLN A 107 2.004 13.396 8.470 1.00 0.00 C ATOM 1653 OE1 GLN A 107 1.425 14.232 7.774 1.00 0.00 O ATOM 1654 NE2 GLN A 107 3.284 13.507 8.806 1.00 0.00 N ATOM 0 H GLN A 107 2.085 8.711 8.143 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.365 9.983 9.161 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.564 11.165 7.124 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.070 11.747 7.377 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.424 12.493 9.595 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.936 11.608 9.642 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.723 12.791 9.384 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.828 14.308 8.486 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.480 8.552 7.485 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.218 7.793 6.481 1.00 0.00 C ATOM 1665 C HIS A 108 -2.417 8.619 5.213 1.00 0.00 C ATOM 1666 O HIS A 108 -2.792 9.790 5.275 1.00 0.00 O ATOM 1667 CB HIS A 108 -3.574 7.356 7.036 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.519 6.075 7.811 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -3.861 4.854 7.270 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.158 5.830 9.092 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -3.715 3.913 8.185 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.289 4.479 9.300 1.00 0.00 N ATOM 0 H HIS A 108 -1.939 8.606 8.394 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.634 6.908 6.229 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -3.965 8.144 7.680 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.276 7.242 6.210 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -2.828 6.561 9.816 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.911 2.860 8.045 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -3.090 3.992 10.174 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.162 8.002 4.064 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.313 8.679 2.782 1.00 0.00 C ATOM 1683 C VAL A 109 -3.699 8.440 2.194 1.00 0.00 C ATOM 1684 O VAL A 109 -4.363 9.374 1.746 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.250 8.210 1.771 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.467 8.875 0.420 1.00 0.00 C ATOM 1687 CG2 VAL A 109 0.149 8.496 2.297 1.00 0.00 C ATOM 0 H VAL A 109 -1.850 7.033 3.995 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.180 9.745 2.969 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.350 7.133 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.706 8.531 -0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.455 8.614 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.395 9.957 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.887 8.158 1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.264 9.568 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.299 7.968 3.238 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.129 7.183 2.200 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.438 6.821 1.669 1.00 0.00 C ATOM 1699 C ALA A 110 -6.432 6.558 2.794 1.00 0.00 C ATOM 1700 O ALA A 110 -6.134 6.784 3.967 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.322 5.601 0.767 1.00 0.00 C ATOM 0 H ALA A 110 -3.591 6.398 2.566 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.810 7.660 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.306 5.342 0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.651 5.824 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.926 4.762 1.339 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.618 6.080 2.430 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.658 5.785 3.408 1.00 0.00 C ATOM 1709 C LYS A 111 -8.304 4.544 4.221 1.00 0.00 C ATOM 1710 O LYS A 111 -9.094 4.085 5.046 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.003 5.583 2.708 1.00 0.00 C ATOM 1712 CG LYS A 111 -10.816 6.859 2.571 1.00 0.00 C ATOM 1713 CD LYS A 111 -10.272 7.751 1.467 1.00 0.00 C ATOM 1714 CE LYS A 111 -9.246 8.738 2.003 1.00 0.00 C ATOM 1715 NZ LYS A 111 -8.814 9.709 0.959 1.00 0.00 N ATOM 0 H LYS A 111 -7.882 5.889 1.464 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.734 6.634 4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -9.828 5.166 1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.586 4.849 3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -11.855 6.608 2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.806 7.401 3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.816 7.135 0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.093 8.295 1.000 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -9.670 9.279 2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.378 8.194 2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.115 10.365 1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.387 9.195 0.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.638 10.246 0.622 1.00 0.00 H new ATOM 1729 N SER A 112 -7.112 4.006 3.983 1.00 0.00 N ATOM 1730 CA SER A 112 -6.655 2.816 4.691 1.00 0.00 C ATOM 1731 C SER A 112 -7.033 2.884 6.167 1.00 0.00 C ATOM 1732 O SER A 112 -7.182 3.960 6.748 1.00 0.00 O ATOM 1733 CB SER A 112 -5.140 2.661 4.547 1.00 0.00 C ATOM 1734 OG SER A 112 -4.580 2.039 5.691 1.00 0.00 O ATOM 0 H SER A 112 -6.445 4.375 3.305 1.00 0.00 H new ATOM 0 HA SER A 112 -7.145 1.949 4.248 1.00 0.00 H new ATOM 0 HB2 SER A 112 -4.915 2.069 3.660 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.683 3.640 4.401 1.00 0.00 H new ATOM 0 HG SER A 112 -3.721 2.459 5.904 1.00 0.00 H new ATOM 1740 N PRO A 113 -7.193 1.707 6.791 1.00 0.00 N ATOM 1741 CA PRO A 113 -7.018 0.420 6.111 1.00 0.00 C ATOM 1742 C PRO A 113 -8.126 0.145 5.100 1.00 0.00 C ATOM 1743 O PRO A 113 -9.250 0.623 5.250 1.00 0.00 O ATOM 1744 CB PRO A 113 -7.074 -0.596 7.255 1.00 0.00 C ATOM 1745 CG PRO A 113 -7.870 0.076 8.320 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.555 1.542 8.209 1.00 0.00 C ATOM 0 HA PRO A 113 -6.093 0.384 5.536 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.545 -1.526 6.936 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -6.075 -0.850 7.608 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.936 -0.106 8.184 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.605 -0.307 9.306 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.412 2.159 8.479 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.736 1.828 8.869 1.00 0.00 H new ATOM 1754 N TYR A 114 -7.801 -0.629 4.070 1.00 0.00 N ATOM 1755 CA TYR A 114 -8.768 -0.966 3.032 1.00 0.00 C ATOM 1756 C TYR A 114 -9.303 -2.382 3.226 1.00 0.00 C ATOM 1757 O TYR A 114 -8.535 -3.334 3.361 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.129 -0.835 1.648 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.108 0.583 1.123 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.289 1.274 0.885 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -6.906 1.230 0.863 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.275 2.569 0.405 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -6.882 2.526 0.384 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.069 3.191 0.156 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.049 4.481 -0.322 1.00 0.00 O ATOM 0 H TYR A 114 -6.875 -1.035 3.932 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.602 -0.268 3.107 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.107 -1.213 1.691 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.673 -1.466 0.945 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.235 0.790 1.079 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -5.975 0.711 1.038 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.203 3.092 0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -5.939 3.016 0.189 1.00 0.00 H new ATOM 0 HH TYR A 114 -8.968 4.805 -0.429 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.625 -2.510 3.237 1.00 0.00 N ATOM 1776 CA ILE A 115 -11.264 -3.809 3.412 1.00 0.00 C ATOM 1777 C ILE A 115 -12.056 -4.204 2.170 1.00 0.00 C ATOM 1778 O ILE A 115 -13.146 -3.686 1.924 1.00 0.00 O ATOM 1779 CB ILE A 115 -12.206 -3.813 4.630 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.595 -3.006 5.778 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -12.494 -5.240 5.073 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -10.340 -3.626 6.350 1.00 0.00 C ATOM 0 H ILE A 115 -11.274 -1.731 3.127 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.466 -4.533 3.577 1.00 0.00 H new ATOM 0 HB ILE A 115 -13.148 -3.345 4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.365 -2.001 5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.334 -2.902 6.572 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -13.161 -5.226 5.935 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -12.967 -5.786 4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.560 -5.732 5.345 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -9.962 -3.001 7.159 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.568 -4.620 6.735 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.584 -3.705 5.568 1.00 0.00 H new ATOM 1794 N LEU A 116 -11.501 -5.125 1.390 1.00 0.00 N ATOM 1795 CA LEU A 116 -12.156 -5.592 0.173 1.00 0.00 C ATOM 1796 C LEU A 116 -12.248 -7.114 0.153 1.00 0.00 C ATOM 1797 O LEU A 116 -11.244 -7.805 -0.023 1.00 0.00 O ATOM 1798 CB LEU A 116 -11.396 -5.100 -1.060 1.00 0.00 C ATOM 1799 CG LEU A 116 -11.271 -3.583 -1.211 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -10.070 -3.067 -0.434 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -11.164 -3.200 -2.679 1.00 0.00 C ATOM 0 H LEU A 116 -10.599 -5.563 1.578 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.167 -5.185 0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.393 -5.527 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.891 -5.494 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.169 -3.121 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.997 -1.986 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.189 -3.309 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.162 -3.536 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.076 -2.117 -2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.284 -3.672 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.056 -3.536 -3.209 1.00 0.00 H new ATOM 1813 N LYS A 117 -13.458 -7.632 0.333 1.00 0.00 N ATOM 1814 CA LYS A 117 -13.683 -9.072 0.334 1.00 0.00 C ATOM 1815 C LYS A 117 -14.704 -9.463 -0.730 1.00 0.00 C ATOM 1816 O LYS A 117 -14.945 -10.646 -0.967 1.00 0.00 O ATOM 1817 CB LYS A 117 -14.163 -9.534 1.711 1.00 0.00 C ATOM 1818 CG LYS A 117 -15.514 -8.964 2.107 1.00 0.00 C ATOM 1819 CD LYS A 117 -15.368 -7.641 2.840 1.00 0.00 C ATOM 1820 CE LYS A 117 -16.632 -7.287 3.608 1.00 0.00 C ATOM 1821 NZ LYS A 117 -16.553 -5.927 4.210 1.00 0.00 N ATOM 0 H LYS A 117 -14.299 -7.075 0.480 1.00 0.00 H new ATOM 0 HA LYS A 117 -12.737 -9.562 0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -14.221 -10.622 1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -13.424 -9.248 2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -16.125 -8.822 1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.039 -9.677 2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -14.526 -7.697 3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -15.142 -6.850 2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -17.490 -7.338 2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -16.797 -8.023 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -17.433 -5.724 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -15.749 -5.885 4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -16.421 -5.221 3.457 1.00 0.00 H new