USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 815 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 Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.121 K(o=0.12,f=-1.2) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 26 TYR OH : rot 165:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.064 K(o=-0.064,f=-1.9!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.536 X(o=-0.54,f=-0.91) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= -0.0145 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 75 TYR OH : rot 0:sc= -0.0409 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc=-0.00264 X(o=-0.0026,f=-0.22) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0.991 K(o=0.99,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.0984 X(o=-0.098,f=-0.024) USER MOD Single : A 107 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0483) USER MOD Single : A 108 LYS NZ :NH3+ 145:sc= 0.0982 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.11) USER MOD Single : A 110 CYS SG : rot -12:sc= 0.511 USER MOD Single : A 114 MET CE :methyl 167:sc= -0.423 (180deg=-0.497) USER MOD Single : A 120 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 121 HIS : no HD1:sc= -0.56 X(o=-0.56,f=-0.69) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 130 ASN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD ----------------------------------------------------------------- ATOM 109 N TYR A 11 5.025 17.807 -3.677 1.00 0.00 N ATOM 110 CA TYR A 11 4.346 16.529 -3.902 1.00 0.00 C ATOM 111 C TYR A 11 3.787 15.984 -2.583 1.00 0.00 C ATOM 112 O TYR A 11 2.890 15.145 -2.580 1.00 0.00 O ATOM 113 CB TYR A 11 5.342 15.513 -4.469 1.00 0.00 C ATOM 114 CG TYR A 11 5.513 15.577 -5.969 1.00 0.00 C ATOM 115 CD1 TYR A 11 4.446 15.183 -6.796 1.00 0.00 C ATOM 116 CD2 TYR A 11 6.731 15.986 -6.543 1.00 0.00 C ATOM 117 CE1 TYR A 11 4.581 15.202 -8.191 1.00 0.00 C ATOM 118 CE2 TYR A 11 6.886 15.975 -7.940 1.00 0.00 C ATOM 119 CZ TYR A 11 5.806 15.594 -8.770 1.00 0.00 C ATOM 120 OH TYR A 11 5.915 15.698 -10.119 1.00 0.00 O ATOM 0 HA TYR A 11 3.528 16.689 -4.605 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.312 15.672 -3.998 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.015 14.510 -4.195 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.515 14.863 -6.352 1.00 0.00 H new ATOM 0 HD2 TYR A 11 7.546 16.308 -5.911 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.750 14.918 -8.820 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.831 16.258 -8.380 1.00 0.00 H new ATOM 0 HH TYR A 11 6.824 15.980 -10.353 1.00 0.00 H new ATOM 130 N SER A 12 4.318 16.444 -1.449 1.00 0.00 N ATOM 131 CA SER A 12 4.048 15.904 -0.126 1.00 0.00 C ATOM 132 C SER A 12 2.596 16.063 0.342 1.00 0.00 C ATOM 133 O SER A 12 2.199 15.378 1.284 1.00 0.00 O ATOM 134 CB SER A 12 5.007 16.589 0.850 1.00 0.00 C ATOM 135 OG SER A 12 5.089 17.993 0.628 1.00 0.00 O ATOM 0 H SER A 12 4.969 17.229 -1.431 1.00 0.00 H new ATOM 0 HA SER A 12 4.205 14.826 -0.165 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.676 16.403 1.872 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.999 16.149 0.751 1.00 0.00 H new ATOM 0 HG SER A 12 5.710 18.391 1.273 1.00 0.00 H new ATOM 141 N GLN A 13 1.809 16.940 -0.287 1.00 0.00 N ATOM 142 CA GLN A 13 0.421 17.182 0.078 1.00 0.00 C ATOM 143 C GLN A 13 -0.518 16.355 -0.784 1.00 0.00 C ATOM 144 O GLN A 13 -1.426 15.754 -0.244 1.00 0.00 O ATOM 145 CB GLN A 13 0.115 18.681 -0.063 1.00 0.00 C ATOM 146 CG GLN A 13 0.799 19.499 1.038 1.00 0.00 C ATOM 147 CD GLN A 13 0.640 20.997 0.833 1.00 0.00 C ATOM 148 OE1 GLN A 13 -0.431 21.566 0.990 1.00 0.00 O ATOM 149 NE2 GLN A 13 1.712 21.699 0.507 1.00 0.00 N ATOM 0 H GLN A 13 2.127 17.506 -1.073 1.00 0.00 H new ATOM 0 HA GLN A 13 0.266 16.880 1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.449 19.032 -1.039 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.963 18.839 -0.019 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.381 19.221 2.006 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.860 19.250 1.066 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.608 21.230 0.375 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.643 22.710 0.388 1.00 0.00 H new ATOM 158 N ARG A 14 -0.259 16.140 -2.074 1.00 0.00 N ATOM 159 CA ARG A 14 -0.947 15.087 -2.851 1.00 0.00 C ATOM 160 C ARG A 14 -0.704 13.696 -2.246 1.00 0.00 C ATOM 161 O ARG A 14 -1.330 12.715 -2.647 1.00 0.00 O ATOM 162 CB ARG A 14 -0.523 15.149 -4.323 1.00 0.00 C ATOM 163 CG ARG A 14 -1.134 16.369 -5.034 1.00 0.00 C ATOM 164 CD ARG A 14 -0.388 16.674 -6.340 1.00 0.00 C ATOM 165 NE ARG A 14 -1.212 16.494 -7.542 1.00 0.00 N ATOM 166 CZ ARG A 14 -1.749 17.460 -8.291 1.00 0.00 C ATOM 167 NH1 ARG A 14 -1.794 18.723 -7.868 1.00 0.00 N ATOM 168 NH2 ARG A 14 -2.217 17.141 -9.487 1.00 0.00 N ATOM 0 H ARG A 14 0.422 16.677 -2.611 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.021 15.269 -2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.564 15.195 -4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.834 14.236 -4.831 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.186 16.181 -5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.092 17.237 -4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.024 17.701 -6.310 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.487 16.027 -6.409 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.392 15.534 -7.834 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.413 18.969 -6.954 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.209 19.444 -8.458 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.162 16.177 -9.816 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.633 17.859 -10.080 1.00 0.00 H new ATOM 182 N GLN A 15 0.234 13.604 -1.307 1.00 0.00 N ATOM 183 CA GLN A 15 0.420 12.481 -0.418 1.00 0.00 C ATOM 184 C GLN A 15 -0.489 12.713 0.796 1.00 0.00 C ATOM 185 O GLN A 15 -1.507 12.051 0.925 1.00 0.00 O ATOM 186 CB GLN A 15 1.923 12.297 -0.118 1.00 0.00 C ATOM 187 CG GLN A 15 2.658 11.892 -1.410 1.00 0.00 C ATOM 188 CD GLN A 15 4.180 11.980 -1.349 1.00 0.00 C ATOM 189 OE1 GLN A 15 4.797 11.936 -0.289 1.00 0.00 O ATOM 190 NE2 GLN A 15 4.837 12.093 -2.494 1.00 0.00 N ATOM 0 H GLN A 15 0.912 14.349 -1.145 1.00 0.00 H new ATOM 0 HA GLN A 15 0.123 11.527 -0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.342 13.223 0.277 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.061 11.533 0.647 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.379 10.869 -1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.306 12.527 -2.223 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.324 12.130 -3.375 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.856 12.143 -2.495 1.00 0.00 H new ATOM 199 N ASP A 16 -0.180 13.674 1.666 1.00 0.00 N ATOM 200 CA ASP A 16 -0.837 13.924 2.963 1.00 0.00 C ATOM 201 C ASP A 16 -2.332 14.239 2.945 1.00 0.00 C ATOM 202 O ASP A 16 -3.020 14.020 3.940 1.00 0.00 O ATOM 203 CB ASP A 16 -0.060 15.058 3.648 1.00 0.00 C ATOM 204 CG ASP A 16 -0.273 16.535 3.302 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.375 16.983 2.904 1.00 0.00 O ATOM 206 OD2 ASP A 16 0.752 17.252 3.391 1.00 0.00 O ATOM 0 H ASP A 16 0.573 14.337 1.482 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.804 12.979 3.505 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.245 14.960 4.718 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.998 14.851 3.487 1.00 0.00 H new ATOM 211 N HIS A 17 -2.863 14.670 1.815 1.00 0.00 N ATOM 212 CA HIS A 17 -4.285 14.840 1.586 1.00 0.00 C ATOM 213 C HIS A 17 -4.988 13.483 1.676 1.00 0.00 C ATOM 214 O HIS A 17 -6.145 13.402 2.090 1.00 0.00 O ATOM 215 CB HIS A 17 -4.481 15.475 0.203 1.00 0.00 C ATOM 216 CG HIS A 17 -5.818 16.137 0.047 1.00 0.00 C ATOM 217 ND1 HIS A 17 -6.961 15.565 -0.464 1.00 0.00 N ATOM 218 CD2 HIS A 17 -6.107 17.425 0.405 1.00 0.00 C ATOM 219 CE1 HIS A 17 -7.930 16.492 -0.389 1.00 0.00 C ATOM 220 NE2 HIS A 17 -7.454 17.643 0.111 1.00 0.00 N ATOM 0 H HIS A 17 -2.296 14.920 1.005 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.720 15.492 2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.695 16.211 0.032 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.370 14.707 -0.563 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.421 18.140 0.835 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.955 16.333 -0.691 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.975 18.509 0.249 1.00 0.00 H new ATOM 228 N GLU A 18 -4.285 12.403 1.330 1.00 0.00 N ATOM 229 CA GLU A 18 -4.798 11.052 1.462 1.00 0.00 C ATOM 230 C GLU A 18 -4.726 10.650 2.929 1.00 0.00 C ATOM 231 O GLU A 18 -5.669 10.066 3.438 1.00 0.00 O ATOM 232 CB GLU A 18 -4.013 10.084 0.555 1.00 0.00 C ATOM 233 CG GLU A 18 -4.938 9.309 -0.388 1.00 0.00 C ATOM 234 CD GLU A 18 -5.678 10.251 -1.326 1.00 0.00 C ATOM 235 OE1 GLU A 18 -4.980 11.109 -1.903 1.00 0.00 O ATOM 236 OE2 GLU A 18 -6.911 10.116 -1.463 1.00 0.00 O ATOM 0 H GLU A 18 -3.340 12.449 0.949 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.838 11.007 1.138 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.285 10.645 -0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.453 9.382 1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.354 8.596 -0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.656 8.733 0.195 1.00 0.00 H new ATOM 243 N LEU A 19 -3.654 11.003 3.643 1.00 0.00 N ATOM 244 CA LEU A 19 -3.449 10.685 5.049 1.00 0.00 C ATOM 245 C LEU A 19 -4.585 11.187 5.951 1.00 0.00 C ATOM 246 O LEU A 19 -4.793 10.602 7.012 1.00 0.00 O ATOM 247 CB LEU A 19 -2.107 11.292 5.496 1.00 0.00 C ATOM 248 CG LEU A 19 -0.835 10.641 4.928 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.832 10.002 3.541 1.00 0.00 C ATOM 250 CD2 LEU A 19 0.433 11.467 5.166 1.00 0.00 C ATOM 0 H LEU A 19 -2.883 11.535 3.240 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.439 9.600 5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.102 12.347 5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.057 11.245 6.584 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.839 9.750 5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.159 9.600 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.565 9.196 3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.088 10.753 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.291 10.948 4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.326 12.442 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.585 11.599 6.237 1.00 0.00 H new ATOM 262 N GLN A 20 -5.322 12.233 5.562 1.00 0.00 N ATOM 263 CA GLN A 20 -6.560 12.606 6.239 1.00 0.00 C ATOM 264 C GLN A 20 -7.676 11.620 5.893 1.00 0.00 C ATOM 265 O GLN A 20 -8.274 11.029 6.794 1.00 0.00 O ATOM 266 CB GLN A 20 -7.003 14.020 5.851 1.00 0.00 C ATOM 267 CG GLN A 20 -6.170 15.130 6.495 1.00 0.00 C ATOM 268 CD GLN A 20 -6.875 16.469 6.298 1.00 0.00 C ATOM 269 OE1 GLN A 20 -7.933 16.709 6.875 1.00 0.00 O ATOM 270 NE2 GLN A 20 -6.359 17.342 5.453 1.00 0.00 N ATOM 0 H GLN A 20 -5.077 12.837 4.777 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.366 12.580 7.311 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.950 14.122 4.767 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.047 14.153 6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.036 14.930 7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.176 15.160 6.048 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.480 17.134 4.978 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.839 18.224 5.275 1.00 0.00 H new ATOM 279 N ALA A 21 -8.000 11.461 4.604 1.00 0.00 N ATOM 280 CA ALA A 21 -9.130 10.642 4.174 1.00 0.00 C ATOM 281 C ALA A 21 -8.977 9.186 4.599 1.00 0.00 C ATOM 282 O ALA A 21 -9.965 8.545 4.943 1.00 0.00 O ATOM 283 CB ALA A 21 -9.289 10.712 2.656 1.00 0.00 C ATOM 0 H ALA A 21 -7.487 11.895 3.837 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.019 11.044 4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.135 10.097 2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.464 11.745 2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.381 10.344 2.178 1.00 0.00 H new ATOM 289 N LEU A 22 -7.756 8.655 4.586 1.00 0.00 N ATOM 290 CA LEU A 22 -7.459 7.285 4.972 1.00 0.00 C ATOM 291 C LEU A 22 -7.858 7.062 6.438 1.00 0.00 C ATOM 292 O LEU A 22 -8.436 6.025 6.750 1.00 0.00 O ATOM 293 CB LEU A 22 -5.975 6.959 4.683 1.00 0.00 C ATOM 294 CG LEU A 22 -5.604 6.888 3.182 1.00 0.00 C ATOM 295 CD1 LEU A 22 -4.075 6.880 3.013 1.00 0.00 C ATOM 296 CD2 LEU A 22 -6.204 5.672 2.467 1.00 0.00 C ATOM 0 H LEU A 22 -6.930 9.180 4.300 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.048 6.588 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.352 7.715 5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.731 6.004 5.148 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.032 7.776 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.826 6.830 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.657 7.791 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.657 6.013 3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.906 5.682 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.843 4.758 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.291 5.710 2.535 1.00 0.00 H new ATOM 308 N GLU A 23 -7.644 8.032 7.332 1.00 0.00 N ATOM 309 CA GLU A 23 -8.067 7.930 8.726 1.00 0.00 C ATOM 310 C GLU A 23 -9.586 8.114 8.882 1.00 0.00 C ATOM 311 O GLU A 23 -10.180 7.617 9.840 1.00 0.00 O ATOM 312 CB GLU A 23 -7.328 8.992 9.553 1.00 0.00 C ATOM 313 CG GLU A 23 -7.413 8.695 11.061 1.00 0.00 C ATOM 314 CD GLU A 23 -7.838 9.923 11.864 1.00 0.00 C ATOM 315 OE1 GLU A 23 -7.000 10.809 12.128 1.00 0.00 O ATOM 316 OE2 GLU A 23 -9.038 10.075 12.185 1.00 0.00 O ATOM 0 H GLU A 23 -7.173 8.908 7.107 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.821 6.930 9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.282 9.030 9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.755 9.974 9.350 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.124 7.887 11.232 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.443 8.347 11.417 1.00 0.00 H new ATOM 323 N ALA A 24 -10.235 8.814 7.951 1.00 0.00 N ATOM 324 CA ALA A 24 -11.653 9.092 8.042 1.00 0.00 C ATOM 325 C ALA A 24 -12.434 7.872 7.568 1.00 0.00 C ATOM 326 O ALA A 24 -13.472 7.537 8.147 1.00 0.00 O ATOM 327 CB ALA A 24 -11.983 10.329 7.200 1.00 0.00 C ATOM 0 H ALA A 24 -9.787 9.199 7.119 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.934 9.299 9.075 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.050 10.540 7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.420 11.184 7.573 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.714 10.144 6.160 1.00 0.00 H new ATOM 333 N ILE A 25 -11.948 7.227 6.502 1.00 0.00 N ATOM 334 CA ILE A 25 -12.602 6.110 5.854 1.00 0.00 C ATOM 335 C ILE A 25 -12.217 4.826 6.598 1.00 0.00 C ATOM 336 O ILE A 25 -13.085 4.173 7.187 1.00 0.00 O ATOM 337 CB ILE A 25 -12.277 6.043 4.344 1.00 0.00 C ATOM 338 CG1 ILE A 25 -12.523 7.382 3.595 1.00 0.00 C ATOM 339 CG2 ILE A 25 -13.094 4.898 3.723 1.00 0.00 C ATOM 340 CD1 ILE A 25 -13.809 7.508 2.775 1.00 0.00 C ATOM 0 H ILE A 25 -11.064 7.483 6.062 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.683 6.239 5.906 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.209 5.853 4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.514 8.186 4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.680 7.553 2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.879 4.834 2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.826 3.957 4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.157 5.090 3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.848 8.492 2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -13.825 6.739 2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.672 7.382 3.429 1.00 0.00 H new ATOM 352 N TYR A 26 -10.932 4.456 6.583 1.00 0.00 N ATOM 353 CA TYR A 26 -10.461 3.259 7.261 1.00 0.00 C ATOM 354 C TYR A 26 -10.508 3.500 8.763 1.00 0.00 C ATOM 355 O TYR A 26 -11.210 2.791 9.485 1.00 0.00 O ATOM 356 CB TYR A 26 -9.054 2.850 6.818 1.00 0.00 C ATOM 357 CG TYR A 26 -8.947 2.467 5.357 1.00 0.00 C ATOM 358 CD1 TYR A 26 -9.344 1.183 4.953 1.00 0.00 C ATOM 359 CD2 TYR A 26 -8.469 3.381 4.400 1.00 0.00 C ATOM 360 CE1 TYR A 26 -9.215 0.780 3.617 1.00 0.00 C ATOM 361 CE2 TYR A 26 -8.383 2.998 3.049 1.00 0.00 C ATOM 362 CZ TYR A 26 -8.710 1.682 2.657 1.00 0.00 C ATOM 363 OH TYR A 26 -8.699 1.362 1.336 1.00 0.00 O ATOM 0 H TYR A 26 -10.199 4.978 6.102 1.00 0.00 H new ATOM 0 HA TYR A 26 -11.116 2.430 6.993 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -8.369 3.675 7.016 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.724 2.008 7.427 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.754 0.498 5.680 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.169 4.374 4.702 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.502 -0.219 3.323 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.065 3.715 2.307 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.547 2.171 0.805 1.00 0.00 H new ATOM 373 N GLY A 27 -9.792 4.518 9.234 1.00 0.00 N ATOM 374 CA GLY A 27 -9.538 4.692 10.650 1.00 0.00 C ATOM 375 C GLY A 27 -8.533 3.639 11.067 1.00 0.00 C ATOM 376 O GLY A 27 -7.367 3.750 10.708 1.00 0.00 O ATOM 0 H GLY A 27 -9.376 5.238 8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.151 5.691 10.850 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.461 4.588 11.220 1.00 0.00 H new ATOM 380 N SER A 28 -8.942 2.598 11.785 1.00 0.00 N ATOM 381 CA SER A 28 -7.979 1.759 12.473 1.00 0.00 C ATOM 382 C SER A 28 -7.197 0.801 11.563 1.00 0.00 C ATOM 383 O SER A 28 -6.165 0.305 12.021 1.00 0.00 O ATOM 384 CB SER A 28 -8.678 1.050 13.627 1.00 0.00 C ATOM 385 OG SER A 28 -9.058 1.992 14.627 1.00 0.00 O ATOM 0 H SER A 28 -9.917 2.322 11.902 1.00 0.00 H new ATOM 0 HA SER A 28 -7.198 2.409 12.867 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.559 0.524 13.260 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.015 0.300 14.057 1.00 0.00 H new ATOM 0 HG SER A 28 -9.507 1.525 15.362 1.00 0.00 H new ATOM 391 N ASP A 29 -7.571 0.581 10.291 1.00 0.00 N ATOM 392 CA ASP A 29 -6.656 -0.120 9.377 1.00 0.00 C ATOM 393 C ASP A 29 -5.379 0.709 9.188 1.00 0.00 C ATOM 394 O ASP A 29 -4.308 0.154 8.944 1.00 0.00 O ATOM 395 CB ASP A 29 -7.148 -0.336 7.933 1.00 0.00 C ATOM 396 CG ASP A 29 -8.489 -0.996 7.621 1.00 0.00 C ATOM 397 OD1 ASP A 29 -9.453 -0.916 8.407 1.00 0.00 O ATOM 398 OD2 ASP A 29 -8.623 -1.520 6.492 1.00 0.00 O ATOM 0 H ASP A 29 -8.463 0.865 9.885 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.536 -1.089 9.862 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.163 0.644 7.457 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.383 -0.925 7.426 1.00 0.00 H new ATOM 403 N PHE A 30 -5.497 2.037 9.230 1.00 0.00 N ATOM 404 CA PHE A 30 -4.511 3.023 8.800 1.00 0.00 C ATOM 405 C PHE A 30 -3.666 3.403 10.008 1.00 0.00 C ATOM 406 O PHE A 30 -4.205 3.728 11.065 1.00 0.00 O ATOM 407 CB PHE A 30 -5.279 4.229 8.230 1.00 0.00 C ATOM 408 CG PHE A 30 -4.436 5.416 7.832 1.00 0.00 C ATOM 409 CD1 PHE A 30 -3.505 5.305 6.786 1.00 0.00 C ATOM 410 CD2 PHE A 30 -4.550 6.625 8.543 1.00 0.00 C ATOM 411 CE1 PHE A 30 -2.738 6.419 6.417 1.00 0.00 C ATOM 412 CE2 PHE A 30 -3.762 7.729 8.186 1.00 0.00 C ATOM 413 CZ PHE A 30 -2.916 7.650 7.077 1.00 0.00 C ATOM 0 H PHE A 30 -6.342 2.480 9.590 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.845 2.639 8.028 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.842 3.898 7.357 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.006 4.557 8.973 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.381 4.365 6.268 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.246 6.703 9.365 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.009 6.333 5.625 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.809 8.638 8.767 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.400 8.531 6.727 1.00 0.00 H new ATOM 423 N GLN A 31 -2.342 3.354 9.887 1.00 0.00 N ATOM 424 CA GLN A 31 -1.429 3.744 10.932 1.00 0.00 C ATOM 425 C GLN A 31 -0.305 4.508 10.265 1.00 0.00 C ATOM 426 O GLN A 31 0.383 3.995 9.381 1.00 0.00 O ATOM 427 CB GLN A 31 -0.931 2.534 11.715 1.00 0.00 C ATOM 428 CG GLN A 31 0.069 2.984 12.783 1.00 0.00 C ATOM 429 CD GLN A 31 -0.096 2.259 14.115 1.00 0.00 C ATOM 430 OE1 GLN A 31 -0.114 2.884 15.169 1.00 0.00 O ATOM 431 NE2 GLN A 31 -0.234 0.945 14.115 1.00 0.00 N ATOM 0 H GLN A 31 -1.875 3.034 9.039 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.922 4.377 11.670 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.771 2.021 12.183 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.459 1.821 11.039 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.081 2.822 12.413 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.043 4.056 12.946 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.218 0.431 13.234 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.356 0.445 14.996 1.00 0.00 H new ATOM 440 N ASP A 32 -0.165 5.759 10.666 1.00 0.00 N ATOM 441 CA ASP A 32 0.994 6.584 10.380 1.00 0.00 C ATOM 442 C ASP A 32 2.215 6.069 11.133 1.00 0.00 C ATOM 443 O ASP A 32 2.136 5.583 12.267 1.00 0.00 O ATOM 444 CB ASP A 32 0.611 8.071 10.564 1.00 0.00 C ATOM 445 CG ASP A 32 1.411 8.868 11.600 1.00 0.00 C ATOM 446 OD1 ASP A 32 2.648 8.714 11.666 1.00 0.00 O ATOM 447 OD2 ASP A 32 0.778 9.726 12.260 1.00 0.00 O ATOM 0 H ASP A 32 -0.875 6.242 11.216 1.00 0.00 H new ATOM 0 HA ASP A 32 1.309 6.513 9.339 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.712 8.570 9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.443 8.119 10.839 1.00 0.00 H new ATOM 452 N LEU A 33 3.345 6.121 10.426 1.00 0.00 N ATOM 453 CA LEU A 33 4.652 5.699 10.902 1.00 0.00 C ATOM 454 C LEU A 33 5.651 6.859 10.778 1.00 0.00 C ATOM 455 O LEU A 33 6.864 6.643 10.883 1.00 0.00 O ATOM 456 CB LEU A 33 5.117 4.460 10.108 1.00 0.00 C ATOM 457 CG LEU A 33 4.129 3.273 10.052 1.00 0.00 C ATOM 458 CD1 LEU A 33 4.702 2.204 9.119 1.00 0.00 C ATOM 459 CD2 LEU A 33 3.858 2.634 11.419 1.00 0.00 C ATOM 0 H LEU A 33 3.370 6.473 9.469 1.00 0.00 H new ATOM 0 HA LEU A 33 4.592 5.422 11.955 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.337 4.771 9.087 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.052 4.107 10.542 1.00 0.00 H new ATOM 0 HG LEU A 33 3.179 3.667 9.691 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.015 1.359 9.069 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.834 2.624 8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.666 1.867 9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.156 1.808 11.302 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.792 2.260 11.837 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.433 3.379 12.091 1.00 0.00 H new ATOM 641 N PRO A 44 9.982 10.237 4.021 1.00 0.00 N ATOM 642 CA PRO A 44 8.754 9.663 3.496 1.00 0.00 C ATOM 643 C PRO A 44 7.626 9.738 4.532 1.00 0.00 C ATOM 644 O PRO A 44 7.867 9.415 5.700 1.00 0.00 O ATOM 645 CB PRO A 44 9.079 8.210 3.158 1.00 0.00 C ATOM 646 CG PRO A 44 10.425 7.897 3.796 1.00 0.00 C ATOM 647 CD PRO A 44 10.932 9.204 4.387 1.00 0.00 C ATOM 0 HA PRO A 44 8.408 10.209 2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.306 7.543 3.540 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.120 8.065 2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.321 7.135 4.569 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.125 7.507 3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.019 9.128 5.471 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.924 9.440 4.003 1.00 0.00 H new ATOM 655 N PRO A 45 6.397 10.114 4.145 1.00 0.00 N ATOM 656 CA PRO A 45 5.233 9.971 5.000 1.00 0.00 C ATOM 657 C PRO A 45 4.795 8.497 5.006 1.00 0.00 C ATOM 658 O PRO A 45 3.802 8.126 4.388 1.00 0.00 O ATOM 659 CB PRO A 45 4.188 10.916 4.412 1.00 0.00 C ATOM 660 CG PRO A 45 4.494 10.888 2.916 1.00 0.00 C ATOM 661 CD PRO A 45 6.009 10.665 2.855 1.00 0.00 C ATOM 0 HA PRO A 45 5.413 10.230 6.043 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.174 10.576 4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.278 11.922 4.823 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.952 10.088 2.412 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.208 11.822 2.432 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.268 9.981 2.047 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.532 11.601 2.660 1.00 0.00 H new ATOM 669 N GLU A 46 5.575 7.645 5.667 1.00 0.00 N ATOM 670 CA GLU A 46 5.369 6.202 5.666 1.00 0.00 C ATOM 671 C GLU A 46 4.078 5.840 6.418 1.00 0.00 C ATOM 672 O GLU A 46 3.745 6.457 7.438 1.00 0.00 O ATOM 673 CB GLU A 46 6.621 5.499 6.232 1.00 0.00 C ATOM 674 CG GLU A 46 6.631 4.000 5.897 1.00 0.00 C ATOM 675 CD GLU A 46 7.878 3.249 6.386 1.00 0.00 C ATOM 676 OE1 GLU A 46 9.025 3.603 6.019 1.00 0.00 O ATOM 677 OE2 GLU A 46 7.740 2.157 6.974 1.00 0.00 O ATOM 0 H GLU A 46 6.376 7.942 6.224 1.00 0.00 H new ATOM 0 HA GLU A 46 5.235 5.846 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.517 5.969 5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.655 5.630 7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.747 3.536 6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.551 3.881 4.816 1.00 0.00 H new ATOM 684 N ILE A 47 3.360 4.836 5.904 1.00 0.00 N ATOM 685 CA ILE A 47 2.066 4.368 6.394 1.00 0.00 C ATOM 686 C ILE A 47 2.054 2.841 6.443 1.00 0.00 C ATOM 687 O ILE A 47 2.816 2.170 5.732 1.00 0.00 O ATOM 688 CB ILE A 47 0.909 4.894 5.509 1.00 0.00 C ATOM 689 CG1 ILE A 47 0.855 4.206 4.121 1.00 0.00 C ATOM 690 CG2 ILE A 47 1.050 6.417 5.344 1.00 0.00 C ATOM 691 CD1 ILE A 47 -0.282 3.188 4.019 1.00 0.00 C ATOM 0 H ILE A 47 3.684 4.304 5.096 1.00 0.00 H new ATOM 0 HA ILE A 47 1.915 4.758 7.400 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.028 4.653 6.012 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.731 4.964 3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.805 3.707 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.238 6.792 4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.007 6.895 6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.005 6.645 4.870 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.276 2.734 3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.145 2.413 4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.236 3.690 4.183 1.00 0.00 H new ATOM 703 N ASN A 48 1.100 2.310 7.198 1.00 0.00 N ATOM 704 CA ASN A 48 0.678 0.922 7.219 1.00 0.00 C ATOM 705 C ASN A 48 -0.842 0.901 7.045 1.00 0.00 C ATOM 706 O ASN A 48 -1.527 1.728 7.650 1.00 0.00 O ATOM 707 CB ASN A 48 1.091 0.328 8.566 1.00 0.00 C ATOM 708 CG ASN A 48 0.477 -1.040 8.790 1.00 0.00 C ATOM 709 OD1 ASN A 48 1.000 -2.027 8.285 1.00 0.00 O ATOM 710 ND2 ASN A 48 -0.605 -1.128 9.544 1.00 0.00 N ATOM 0 H ASN A 48 0.567 2.880 7.855 1.00 0.00 H new ATOM 0 HA ASN A 48 1.136 0.335 6.422 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.177 0.251 8.611 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.785 0.999 9.368 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.031 -2.038 9.721 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.014 -0.286 9.949 1.00 0.00 H new ATOM 717 N LEU A 49 -1.364 -0.010 6.223 1.00 0.00 N ATOM 718 CA LEU A 49 -2.786 -0.254 6.009 1.00 0.00 C ATOM 719 C LEU A 49 -3.014 -1.756 6.161 1.00 0.00 C ATOM 720 O LEU A 49 -2.491 -2.550 5.378 1.00 0.00 O ATOM 721 CB LEU A 49 -3.239 0.272 4.629 1.00 0.00 C ATOM 722 CG LEU A 49 -3.595 1.773 4.643 1.00 0.00 C ATOM 723 CD1 LEU A 49 -3.672 2.382 3.236 1.00 0.00 C ATOM 724 CD2 LEU A 49 -4.941 2.034 5.316 1.00 0.00 C ATOM 0 H LEU A 49 -0.776 -0.626 5.662 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.388 0.284 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.445 0.099 3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.106 -0.298 4.296 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.786 2.241 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.926 3.439 3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.707 2.275 2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.437 1.865 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.153 3.103 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.726 1.503 4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.906 1.683 6.347 1.00 0.00 H new ATOM 736 N VAL A 50 -3.724 -2.164 7.208 1.00 0.00 N ATOM 737 CA VAL A 50 -4.159 -3.546 7.417 1.00 0.00 C ATOM 738 C VAL A 50 -5.230 -3.866 6.367 1.00 0.00 C ATOM 739 O VAL A 50 -6.041 -2.994 6.068 1.00 0.00 O ATOM 740 CB VAL A 50 -4.740 -3.680 8.839 1.00 0.00 C ATOM 741 CG1 VAL A 50 -5.035 -5.147 9.155 1.00 0.00 C ATOM 742 CG2 VAL A 50 -3.778 -3.176 9.930 1.00 0.00 C ATOM 0 H VAL A 50 -4.021 -1.532 7.952 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.325 -4.241 7.315 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.644 -3.071 8.847 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.445 -5.227 10.162 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.758 -5.536 8.437 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.113 -5.725 9.091 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.243 -3.296 10.909 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.853 -3.752 9.894 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.556 -2.122 9.761 1.00 0.00 H new ATOM 752 N LEU A 51 -5.261 -5.068 5.784 1.00 0.00 N ATOM 753 CA LEU A 51 -6.243 -5.447 4.771 1.00 0.00 C ATOM 754 C LEU A 51 -6.709 -6.884 4.991 1.00 0.00 C ATOM 755 O LEU A 51 -5.888 -7.777 5.233 1.00 0.00 O ATOM 756 CB LEU A 51 -5.633 -5.250 3.368 1.00 0.00 C ATOM 757 CG LEU A 51 -5.397 -3.760 3.037 1.00 0.00 C ATOM 758 CD1 LEU A 51 -4.504 -3.555 1.822 1.00 0.00 C ATOM 759 CD2 LEU A 51 -6.725 -3.053 2.771 1.00 0.00 C ATOM 0 H LEU A 51 -4.598 -5.810 6.006 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.122 -4.808 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.687 -5.788 3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.297 -5.685 2.621 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.897 -3.338 3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.376 -2.488 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.531 -4.011 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.964 -4.019 0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.539 -2.004 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.227 -3.527 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.358 -3.123 3.656 1.00 0.00 H new ATOM 771 N TYR A 52 -8.025 -7.093 4.868 1.00 0.00 N ATOM 772 CA TYR A 52 -8.745 -8.330 5.172 1.00 0.00 C ATOM 773 C TYR A 52 -9.713 -8.697 4.023 1.00 0.00 C ATOM 774 O TYR A 52 -10.045 -7.816 3.228 1.00 0.00 O ATOM 775 CB TYR A 52 -9.504 -8.121 6.492 1.00 0.00 C ATOM 776 CG TYR A 52 -8.633 -7.852 7.708 1.00 0.00 C ATOM 777 CD1 TYR A 52 -7.737 -8.840 8.142 1.00 0.00 C ATOM 778 CD2 TYR A 52 -8.740 -6.654 8.441 1.00 0.00 C ATOM 779 CE1 TYR A 52 -7.040 -8.695 9.345 1.00 0.00 C ATOM 780 CE2 TYR A 52 -8.002 -6.474 9.630 1.00 0.00 C ATOM 781 CZ TYR A 52 -7.175 -7.521 10.111 1.00 0.00 C ATOM 782 OH TYR A 52 -6.532 -7.452 11.310 1.00 0.00 O ATOM 0 H TYR A 52 -8.650 -6.359 4.534 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.045 -9.159 5.274 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.193 -7.285 6.367 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -10.109 -9.006 6.688 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.584 -9.723 7.540 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.392 -5.867 8.090 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.394 -9.489 9.689 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.067 -5.542 10.172 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.713 -6.585 11.729 1.00 0.00 H new ATOM 792 N PRO A 53 -10.145 -9.969 3.886 1.00 0.00 N ATOM 793 CA PRO A 53 -11.040 -10.446 2.840 1.00 0.00 C ATOM 794 C PRO A 53 -12.512 -10.148 3.132 1.00 0.00 C ATOM 795 O PRO A 53 -12.990 -10.263 4.261 1.00 0.00 O ATOM 796 CB PRO A 53 -10.833 -11.957 2.763 1.00 0.00 C ATOM 797 CG PRO A 53 -10.255 -12.364 4.097 1.00 0.00 C ATOM 798 CD PRO A 53 -9.823 -11.064 4.768 1.00 0.00 C ATOM 0 HA PRO A 53 -10.809 -9.937 1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.775 -12.471 2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.157 -12.218 1.949 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.994 -12.890 4.701 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.409 -13.039 3.969 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.332 -10.943 5.724 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.753 -11.082 4.976 1.00 0.00 H new ATOM 896 N VAL A 61 -10.326 -14.269 10.278 1.00 0.00 N ATOM 897 CA VAL A 61 -9.678 -14.026 8.996 1.00 0.00 C ATOM 898 C VAL A 61 -8.478 -14.952 8.775 1.00 0.00 C ATOM 899 O VAL A 61 -7.467 -14.927 9.470 1.00 0.00 O ATOM 900 CB VAL A 61 -9.304 -12.542 8.877 1.00 0.00 C ATOM 901 CG1 VAL A 61 -8.820 -12.291 7.466 1.00 0.00 C ATOM 902 CG2 VAL A 61 -10.450 -11.571 9.213 1.00 0.00 C ATOM 0 HA VAL A 61 -10.383 -14.263 8.199 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.528 -12.345 9.617 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.548 -11.241 7.356 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.949 -12.915 7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.614 -12.536 6.760 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.101 -10.544 9.104 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.285 -11.745 8.534 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.777 -11.736 10.240 1.00 0.00 H new ATOM 912 N TYR A 62 -8.615 -15.789 7.753 1.00 0.00 N ATOM 913 CA TYR A 62 -7.660 -16.847 7.431 1.00 0.00 C ATOM 914 C TYR A 62 -6.451 -16.285 6.671 1.00 0.00 C ATOM 915 O TYR A 62 -5.341 -16.779 6.838 1.00 0.00 O ATOM 916 CB TYR A 62 -8.326 -17.934 6.570 1.00 0.00 C ATOM 917 CG TYR A 62 -9.654 -18.548 7.009 1.00 0.00 C ATOM 918 CD1 TYR A 62 -10.231 -18.319 8.279 1.00 0.00 C ATOM 919 CD2 TYR A 62 -10.332 -19.371 6.088 1.00 0.00 C ATOM 920 CE1 TYR A 62 -11.502 -18.838 8.588 1.00 0.00 C ATOM 921 CE2 TYR A 62 -11.576 -19.938 6.414 1.00 0.00 C ATOM 922 CZ TYR A 62 -12.181 -19.652 7.655 1.00 0.00 C ATOM 923 OH TYR A 62 -13.391 -20.189 7.957 1.00 0.00 O ATOM 0 H TYR A 62 -9.407 -15.752 7.112 1.00 0.00 H new ATOM 0 HA TYR A 62 -7.323 -17.280 8.373 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.476 -17.513 5.576 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.610 -18.749 6.466 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.693 -17.742 9.017 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -9.891 -19.568 5.122 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -11.959 -18.613 9.540 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -12.070 -20.594 5.712 1.00 0.00 H new ATOM 0 HH TYR A 62 -13.712 -20.720 7.198 1.00 0.00 H new ATOM 933 N VAL A 63 -6.660 -15.257 5.838 1.00 0.00 N ATOM 934 CA VAL A 63 -5.630 -14.604 5.039 1.00 0.00 C ATOM 935 C VAL A 63 -5.761 -13.106 5.264 1.00 0.00 C ATOM 936 O VAL A 63 -6.860 -12.557 5.221 1.00 0.00 O ATOM 937 CB VAL A 63 -5.740 -14.951 3.534 1.00 0.00 C ATOM 938 CG1 VAL A 63 -5.449 -16.422 3.234 1.00 0.00 C ATOM 939 CG2 VAL A 63 -7.111 -14.605 2.943 1.00 0.00 C ATOM 0 H VAL A 63 -7.584 -14.848 5.702 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.649 -14.960 5.353 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.976 -14.333 3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.543 -16.600 2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.436 -16.665 3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.160 -17.050 3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.129 -14.870 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.886 -15.162 3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.295 -13.536 3.052 1.00 0.00 H new ATOM 949 N GLN A 64 -4.643 -12.433 5.464 1.00 0.00 N ATOM 950 CA GLN A 64 -4.568 -10.980 5.600 1.00 0.00 C ATOM 951 C GLN A 64 -3.212 -10.526 5.088 1.00 0.00 C ATOM 952 O GLN A 64 -2.296 -11.346 4.955 1.00 0.00 O ATOM 953 CB GLN A 64 -4.757 -10.541 7.067 1.00 0.00 C ATOM 954 CG GLN A 64 -3.684 -11.103 8.006 1.00 0.00 C ATOM 955 CD GLN A 64 -3.693 -10.464 9.386 1.00 0.00 C ATOM 956 OE1 GLN A 64 -4.460 -10.869 10.248 1.00 0.00 O ATOM 957 NE2 GLN A 64 -2.820 -9.510 9.670 1.00 0.00 N ATOM 0 H GLN A 64 -3.734 -12.889 5.539 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.369 -10.522 5.020 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.743 -9.452 7.119 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.739 -10.864 7.413 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.831 -12.178 8.111 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.703 -10.958 7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.181 -9.173 8.950 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.787 -9.112 10.609 1.00 0.00 H new ATOM 966 N VAL A 65 -3.046 -9.222 4.890 1.00 0.00 N ATOM 967 CA VAL A 65 -1.726 -8.639 4.767 1.00 0.00 C ATOM 968 C VAL A 65 -1.748 -7.222 5.332 1.00 0.00 C ATOM 969 O VAL A 65 -2.810 -6.616 5.481 1.00 0.00 O ATOM 970 CB VAL A 65 -1.249 -8.775 3.308 1.00 0.00 C ATOM 971 CG1 VAL A 65 -1.962 -7.879 2.297 1.00 0.00 C ATOM 972 CG2 VAL A 65 0.247 -8.544 3.161 1.00 0.00 C ATOM 0 H VAL A 65 -3.813 -8.554 4.812 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.981 -9.168 5.361 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.508 -9.807 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.551 -8.053 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.027 -8.109 2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.817 -6.834 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.531 -8.652 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.495 -7.539 3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.789 -9.275 3.761 1.00 0.00 H new ATOM 982 N GLU A 66 -0.570 -6.701 5.648 1.00 0.00 N ATOM 983 CA GLU A 66 -0.342 -5.348 6.107 1.00 0.00 C ATOM 984 C GLU A 66 0.506 -4.693 5.019 1.00 0.00 C ATOM 985 O GLU A 66 1.624 -5.128 4.725 1.00 0.00 O ATOM 986 CB GLU A 66 0.304 -5.394 7.497 1.00 0.00 C ATOM 987 CG GLU A 66 -0.763 -5.705 8.564 1.00 0.00 C ATOM 988 CD GLU A 66 -0.169 -6.065 9.931 1.00 0.00 C ATOM 989 OE1 GLU A 66 0.555 -5.222 10.505 1.00 0.00 O ATOM 990 OE2 GLU A 66 -0.377 -7.207 10.404 1.00 0.00 O ATOM 0 H GLU A 66 0.292 -7.242 5.586 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.247 -4.756 6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.085 -6.154 7.519 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.782 -4.439 7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.417 -4.840 8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.384 -6.531 8.217 1.00 0.00 H new ATOM 997 N LEU A 67 -0.099 -3.716 4.350 1.00 0.00 N ATOM 998 CA LEU A 67 0.328 -3.065 3.128 1.00 0.00 C ATOM 999 C LEU A 67 1.131 -1.831 3.527 1.00 0.00 C ATOM 1000 O LEU A 67 0.660 -1.011 4.319 1.00 0.00 O ATOM 1001 CB LEU A 67 -0.961 -2.729 2.349 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.784 -1.797 1.139 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -1.443 -2.398 -0.111 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.366 -0.401 1.378 1.00 0.00 C ATOM 0 H LEU A 67 -0.981 -3.329 4.685 1.00 0.00 H new ATOM 0 HA LEU A 67 0.968 -3.677 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.409 -3.661 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.671 -2.270 3.037 1.00 0.00 H new ATOM 0 HG LEU A 67 0.291 -1.697 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.306 -1.722 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.983 -3.360 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.508 -2.539 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.213 0.214 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.433 -0.482 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.867 0.060 2.230 1.00 0.00 H new ATOM 1016 N ARG A 68 2.363 -1.725 3.026 1.00 0.00 N ATOM 1017 CA ARG A 68 3.302 -0.675 3.376 1.00 0.00 C ATOM 1018 C ARG A 68 3.454 0.240 2.184 1.00 0.00 C ATOM 1019 O ARG A 68 3.649 -0.249 1.071 1.00 0.00 O ATOM 1020 CB ARG A 68 4.676 -1.287 3.684 1.00 0.00 C ATOM 1021 CG ARG A 68 5.483 -0.408 4.637 1.00 0.00 C ATOM 1022 CD ARG A 68 4.933 -0.510 6.057 1.00 0.00 C ATOM 1023 NE ARG A 68 5.931 -0.005 6.995 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.535 -0.691 7.961 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.107 -1.888 8.354 1.00 0.00 N ATOM 1026 NH2 ARG A 68 7.595 -0.131 8.514 1.00 0.00 N ATOM 0 H ARG A 68 2.739 -2.388 2.348 1.00 0.00 H new ATOM 0 HA ARG A 68 2.936 -0.133 4.248 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.544 -2.276 4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.231 -1.423 2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.529 -0.713 4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.449 0.629 4.301 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.011 0.064 6.145 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.687 -1.546 6.291 1.00 0.00 H new ATOM 0 HE ARG A 68 6.192 0.976 6.900 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.290 -2.308 7.911 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.596 -2.385 9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.913 0.784 8.196 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.096 -0.614 9.260 1.00 0.00 H new ATOM 1040 N VAL A 69 3.433 1.544 2.414 1.00 0.00 N ATOM 1041 CA VAL A 69 3.832 2.521 1.411 1.00 0.00 C ATOM 1042 C VAL A 69 4.620 3.632 2.100 1.00 0.00 C ATOM 1043 O VAL A 69 4.188 4.192 3.106 1.00 0.00 O ATOM 1044 CB VAL A 69 2.599 3.044 0.642 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.981 4.131 -0.374 1.00 0.00 C ATOM 1046 CG2 VAL A 69 1.908 1.920 -0.138 1.00 0.00 C ATOM 0 H VAL A 69 3.139 1.955 3.300 1.00 0.00 H new ATOM 0 HA VAL A 69 4.479 2.061 0.664 1.00 0.00 H new ATOM 0 HB VAL A 69 1.929 3.454 1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.086 4.473 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.441 4.971 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.687 3.722 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.044 2.322 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.607 1.492 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.580 1.145 0.555 1.00 0.00 H new ATOM 1056 N LYS A 70 5.783 3.966 1.537 1.00 0.00 N ATOM 1057 CA LYS A 70 6.602 5.105 1.955 1.00 0.00 C ATOM 1058 C LYS A 70 6.225 6.424 1.275 1.00 0.00 C ATOM 1059 O LYS A 70 6.573 7.470 1.801 1.00 0.00 O ATOM 1060 CB LYS A 70 8.090 4.784 1.743 1.00 0.00 C ATOM 1061 CG LYS A 70 8.430 4.310 0.320 1.00 0.00 C ATOM 1062 CD LYS A 70 9.936 4.321 0.045 1.00 0.00 C ATOM 1063 CE LYS A 70 10.427 5.731 -0.308 1.00 0.00 C ATOM 1064 NZ LYS A 70 11.704 5.685 -1.046 1.00 0.00 N ATOM 0 H LYS A 70 6.190 3.442 0.762 1.00 0.00 H new ATOM 0 HA LYS A 70 6.403 5.258 3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.679 5.673 1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.390 4.013 2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.044 3.301 0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.927 4.951 -0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.471 3.956 0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.163 3.639 -0.774 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.675 6.240 -0.910 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.553 6.314 0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.010 6.653 -1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.427 5.220 -0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.576 5.149 -1.928 1.00 0.00 H new ATOM 1078 N CYS A 71 5.546 6.379 0.126 1.00 0.00 N ATOM 1079 CA CYS A 71 5.289 7.502 -0.778 1.00 0.00 C ATOM 1080 C CYS A 71 6.606 8.155 -1.263 1.00 0.00 C ATOM 1081 O CYS A 71 7.193 8.965 -0.544 1.00 0.00 O ATOM 1082 CB CYS A 71 4.354 8.542 -0.142 1.00 0.00 C ATOM 1083 SG CYS A 71 2.952 7.796 0.745 1.00 0.00 S ATOM 0 H CYS A 71 5.138 5.509 -0.217 1.00 0.00 H new ATOM 0 HA CYS A 71 4.780 7.098 -1.653 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.926 9.161 0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 71 3.973 9.203 -0.920 1.00 0.00 H new ATOM 0 HG CYS A 71 2.212 8.735 1.255 1.00 0.00 H new ATOM 1089 N PRO A 72 7.112 7.837 -2.474 1.00 0.00 N ATOM 1090 CA PRO A 72 8.334 8.460 -2.972 1.00 0.00 C ATOM 1091 C PRO A 72 8.129 9.972 -3.123 1.00 0.00 C ATOM 1092 O PRO A 72 6.991 10.426 -3.285 1.00 0.00 O ATOM 1093 CB PRO A 72 8.661 7.805 -4.319 1.00 0.00 C ATOM 1094 CG PRO A 72 7.322 7.232 -4.776 1.00 0.00 C ATOM 1095 CD PRO A 72 6.542 6.967 -3.483 1.00 0.00 C ATOM 0 HA PRO A 72 9.162 8.316 -2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 72 9.051 8.530 -5.033 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.415 7.025 -4.213 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.792 7.933 -5.420 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.460 6.315 -5.349 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.481 7.175 -3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.626 5.922 -3.186 1.00 0.00 H new ATOM 1103 N PRO A 73 9.209 10.771 -3.156 1.00 0.00 N ATOM 1104 CA PRO A 73 9.116 12.228 -3.168 1.00 0.00 C ATOM 1105 C PRO A 73 8.390 12.826 -4.375 1.00 0.00 C ATOM 1106 O PRO A 73 8.181 14.038 -4.380 1.00 0.00 O ATOM 1107 CB PRO A 73 10.566 12.739 -3.126 1.00 0.00 C ATOM 1108 CG PRO A 73 11.381 11.556 -2.610 1.00 0.00 C ATOM 1109 CD PRO A 73 10.603 10.349 -3.113 1.00 0.00 C ATOM 0 HA PRO A 73 8.513 12.539 -2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.904 13.052 -4.114 1.00 0.00 H new ATOM 0 HB3 PRO A 73 10.662 13.603 -2.468 1.00 0.00 H new ATOM 0 HG2 PRO A 73 12.399 11.569 -2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.455 11.562 -1.523 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.950 10.042 -4.100 1.00 0.00 H new ATOM 0 HD3 PRO A 73 10.733 9.494 -2.449 1.00 0.00 H new ATOM 1117 N THR A 74 8.028 12.018 -5.376 1.00 0.00 N ATOM 1118 CA THR A 74 7.455 12.454 -6.639 1.00 0.00 C ATOM 1119 C THR A 74 6.124 11.748 -6.936 1.00 0.00 C ATOM 1120 O THR A 74 5.513 12.001 -7.968 1.00 0.00 O ATOM 1121 CB THR A 74 8.508 12.297 -7.756 1.00 0.00 C ATOM 1122 OG1 THR A 74 8.758 10.941 -8.058 1.00 0.00 O ATOM 1123 CG2 THR A 74 9.872 12.863 -7.347 1.00 0.00 C ATOM 0 H THR A 74 8.133 11.005 -5.320 1.00 0.00 H new ATOM 0 HA THR A 74 7.197 13.511 -6.579 1.00 0.00 H new ATOM 0 HB THR A 74 8.087 12.833 -8.606 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.428 10.883 -8.770 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.581 12.730 -8.164 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.773 13.925 -7.122 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.234 12.337 -6.464 1.00 0.00 H new ATOM 1131 N TYR A 75 5.624 10.866 -6.060 1.00 0.00 N ATOM 1132 CA TYR A 75 4.269 10.333 -6.222 1.00 0.00 C ATOM 1133 C TYR A 75 3.277 11.511 -6.211 1.00 0.00 C ATOM 1134 O TYR A 75 3.479 12.413 -5.389 1.00 0.00 O ATOM 1135 CB TYR A 75 3.978 9.337 -5.086 1.00 0.00 C ATOM 1136 CG TYR A 75 2.513 9.003 -4.875 1.00 0.00 C ATOM 1137 CD1 TYR A 75 1.681 9.938 -4.240 1.00 0.00 C ATOM 1138 CD2 TYR A 75 1.973 7.777 -5.302 1.00 0.00 C ATOM 1139 CE1 TYR A 75 0.318 9.677 -4.065 1.00 0.00 C ATOM 1140 CE2 TYR A 75 0.617 7.473 -5.063 1.00 0.00 C ATOM 1141 CZ TYR A 75 -0.226 8.431 -4.446 1.00 0.00 C ATOM 1142 OH TYR A 75 -1.533 8.153 -4.185 1.00 0.00 O ATOM 0 H TYR A 75 6.128 10.513 -5.247 1.00 0.00 H new ATOM 0 HA TYR A 75 4.168 9.801 -7.168 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.519 8.413 -5.288 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.378 9.744 -4.157 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.097 10.868 -3.883 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.600 7.064 -5.816 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.322 10.433 -3.636 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.221 6.510 -5.350 1.00 0.00 H new ATOM 0 HH TYR A 75 -1.946 8.918 -3.732 1.00 0.00 H new ATOM 1152 N PRO A 76 2.177 11.490 -6.997 1.00 0.00 N ATOM 1153 CA PRO A 76 1.740 10.433 -7.920 1.00 0.00 C ATOM 1154 C PRO A 76 2.248 10.604 -9.368 1.00 0.00 C ATOM 1155 O PRO A 76 1.682 9.991 -10.275 1.00 0.00 O ATOM 1156 CB PRO A 76 0.204 10.476 -7.856 1.00 0.00 C ATOM 1157 CG PRO A 76 -0.071 11.963 -7.686 1.00 0.00 C ATOM 1158 CD PRO A 76 1.090 12.447 -6.815 1.00 0.00 C ATOM 0 HA PRO A 76 2.157 9.472 -7.620 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.252 10.079 -8.763 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.185 9.892 -7.022 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.094 12.479 -8.646 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.033 12.140 -7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.403 13.449 -7.109 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.792 12.500 -5.768 1.00 0.00 H new ATOM 1166 N ASP A 77 3.280 11.422 -9.633 1.00 0.00 N ATOM 1167 CA ASP A 77 3.929 11.419 -10.953 1.00 0.00 C ATOM 1168 C ASP A 77 4.528 10.040 -11.239 1.00 0.00 C ATOM 1169 O ASP A 77 4.371 9.532 -12.349 1.00 0.00 O ATOM 1170 CB ASP A 77 4.998 12.514 -11.086 1.00 0.00 C ATOM 1171 CG ASP A 77 5.806 12.362 -12.372 1.00 0.00 C ATOM 1172 OD1 ASP A 77 5.260 12.623 -13.467 1.00 0.00 O ATOM 1173 OD2 ASP A 77 7.000 11.993 -12.295 1.00 0.00 O ATOM 0 H ASP A 77 3.677 12.082 -8.964 1.00 0.00 H new ATOM 0 HA ASP A 77 3.161 11.640 -11.694 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.520 13.493 -11.071 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.669 12.474 -10.228 1.00 0.00 H new ATOM 1178 N VAL A 78 5.120 9.380 -10.238 1.00 0.00 N ATOM 1179 CA VAL A 78 5.521 7.981 -10.350 1.00 0.00 C ATOM 1180 C VAL A 78 4.723 7.117 -9.393 1.00 0.00 C ATOM 1181 O VAL A 78 4.084 7.576 -8.440 1.00 0.00 O ATOM 1182 CB VAL A 78 7.046 7.822 -10.198 1.00 0.00 C ATOM 1183 CG1 VAL A 78 7.529 8.079 -8.761 1.00 0.00 C ATOM 1184 CG2 VAL A 78 7.597 6.482 -10.713 1.00 0.00 C ATOM 0 H VAL A 78 5.332 9.801 -9.334 1.00 0.00 H new ATOM 0 HA VAL A 78 5.286 7.626 -11.353 1.00 0.00 H new ATOM 0 HB VAL A 78 7.456 8.598 -10.845 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.611 7.953 -8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.269 9.095 -8.466 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.051 7.371 -8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.677 6.453 -10.568 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.135 5.663 -10.162 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.370 6.379 -11.774 1.00 0.00 H new ATOM 1194 N VAL A 79 4.823 5.831 -9.680 1.00 0.00 N ATOM 1195 CA VAL A 79 4.286 4.762 -8.871 1.00 0.00 C ATOM 1196 C VAL A 79 4.962 4.760 -7.495 1.00 0.00 C ATOM 1197 O VAL A 79 6.181 4.952 -7.399 1.00 0.00 O ATOM 1198 CB VAL A 79 4.427 3.413 -9.597 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.437 3.373 -10.759 1.00 0.00 C ATOM 1200 CG2 VAL A 79 5.818 3.096 -10.169 1.00 0.00 C ATOM 0 H VAL A 79 5.300 5.495 -10.517 1.00 0.00 H new ATOM 0 HA VAL A 79 3.220 4.925 -8.712 1.00 0.00 H new ATOM 0 HB VAL A 79 4.235 2.664 -8.829 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.528 2.421 -11.282 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.422 3.482 -10.376 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.654 4.188 -11.450 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.797 2.122 -10.657 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.095 3.860 -10.895 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.549 3.081 -9.361 1.00 0.00 H new ATOM 1210 N PRO A 80 4.195 4.529 -6.419 1.00 0.00 N ATOM 1211 CA PRO A 80 4.759 4.288 -5.110 1.00 0.00 C ATOM 1212 C PRO A 80 5.524 2.963 -5.083 1.00 0.00 C ATOM 1213 O PRO A 80 5.491 2.167 -6.025 1.00 0.00 O ATOM 1214 CB PRO A 80 3.588 4.323 -4.125 1.00 0.00 C ATOM 1215 CG PRO A 80 2.334 4.125 -4.973 1.00 0.00 C ATOM 1216 CD PRO A 80 2.760 4.320 -6.420 1.00 0.00 C ATOM 0 HA PRO A 80 5.493 5.046 -4.836 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.683 3.537 -3.375 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.554 5.272 -3.590 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.916 3.130 -4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.560 4.841 -4.696 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.498 3.448 -7.019 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.247 5.175 -6.861 1.00 0.00 H new ATOM 1224 N GLU A 81 6.228 2.738 -3.979 1.00 0.00 N ATOM 1225 CA GLU A 81 6.757 1.431 -3.630 1.00 0.00 C ATOM 1226 C GLU A 81 5.640 0.655 -2.957 1.00 0.00 C ATOM 1227 O GLU A 81 4.733 1.240 -2.356 1.00 0.00 O ATOM 1228 CB GLU A 81 7.941 1.591 -2.672 1.00 0.00 C ATOM 1229 CG GLU A 81 9.148 2.203 -3.390 1.00 0.00 C ATOM 1230 CD GLU A 81 10.030 1.214 -4.147 1.00 0.00 C ATOM 1231 OE1 GLU A 81 10.444 0.203 -3.538 1.00 0.00 O ATOM 1232 OE2 GLU A 81 10.422 1.526 -5.291 1.00 0.00 O ATOM 0 H GLU A 81 6.447 3.465 -3.298 1.00 0.00 H new ATOM 0 HA GLU A 81 7.107 0.903 -4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.652 2.225 -1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.213 0.620 -2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.789 2.955 -4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.762 2.722 -2.654 1.00 0.00 H new ATOM 1239 N ILE A 82 5.736 -0.662 -3.057 1.00 0.00 N ATOM 1240 CA ILE A 82 4.722 -1.607 -2.613 1.00 0.00 C ATOM 1241 C ILE A 82 5.447 -2.695 -1.829 1.00 0.00 C ATOM 1242 O ILE A 82 6.438 -3.248 -2.308 1.00 0.00 O ATOM 1243 CB ILE A 82 3.946 -2.147 -3.840 1.00 0.00 C ATOM 1244 CG1 ILE A 82 2.993 -1.067 -4.408 1.00 0.00 C ATOM 1245 CG2 ILE A 82 3.128 -3.412 -3.510 1.00 0.00 C ATOM 1246 CD1 ILE A 82 2.624 -1.279 -5.877 1.00 0.00 C ATOM 0 H ILE A 82 6.552 -1.119 -3.464 1.00 0.00 H new ATOM 0 HA ILE A 82 3.976 -1.148 -1.965 1.00 0.00 H new ATOM 0 HB ILE A 82 4.697 -2.410 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.080 -1.052 -3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.461 -0.089 -4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.603 -3.749 -4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.798 -4.199 -3.164 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.403 -3.183 -2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.954 -0.483 -6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.528 -1.264 -6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.126 -2.242 -5.992 1.00 0.00 H new ATOM 1258 N ASP A 83 4.957 -3.033 -0.638 1.00 0.00 N ATOM 1259 CA ASP A 83 5.518 -4.103 0.170 1.00 0.00 C ATOM 1260 C ASP A 83 4.420 -4.771 0.974 1.00 0.00 C ATOM 1261 O ASP A 83 3.617 -4.101 1.629 1.00 0.00 O ATOM 1262 CB ASP A 83 6.600 -3.588 1.117 1.00 0.00 C ATOM 1263 CG ASP A 83 7.593 -4.670 1.522 1.00 0.00 C ATOM 1264 OD1 ASP A 83 7.426 -5.858 1.155 1.00 0.00 O ATOM 1265 OD2 ASP A 83 8.595 -4.313 2.175 1.00 0.00 O ATOM 0 H ASP A 83 4.157 -2.568 -0.209 1.00 0.00 H new ATOM 0 HA ASP A 83 5.976 -4.824 -0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.137 -2.770 0.637 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.129 -3.180 2.011 1.00 0.00 H new ATOM 1270 N LEU A 84 4.384 -6.099 0.895 1.00 0.00 N ATOM 1271 CA LEU A 84 3.392 -6.925 1.585 1.00 0.00 C ATOM 1272 C LEU A 84 4.066 -7.572 2.792 1.00 0.00 C ATOM 1273 O LEU A 84 4.929 -8.444 2.627 1.00 0.00 O ATOM 1274 CB LEU A 84 2.767 -7.963 0.630 1.00 0.00 C ATOM 1275 CG LEU A 84 1.646 -7.448 -0.308 1.00 0.00 C ATOM 1276 CD1 LEU A 84 1.723 -5.971 -0.720 1.00 0.00 C ATOM 1277 CD2 LEU A 84 1.604 -8.300 -1.580 1.00 0.00 C ATOM 0 H LEU A 84 5.050 -6.640 0.344 1.00 0.00 H new ATOM 0 HA LEU A 84 2.564 -6.308 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.562 -8.383 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.363 -8.779 1.229 1.00 0.00 H new ATOM 0 HG LEU A 84 0.740 -7.537 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.885 -5.732 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.679 -5.342 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.659 -5.789 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.815 -7.935 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.563 -8.234 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.405 -9.339 -1.316 1.00 0.00 H new ATOM 1289 N LYS A 85 3.703 -7.137 4.003 1.00 0.00 N ATOM 1290 CA LYS A 85 4.267 -7.625 5.265 1.00 0.00 C ATOM 1291 C LYS A 85 3.166 -8.226 6.125 1.00 0.00 C ATOM 1292 O LYS A 85 1.982 -8.047 5.845 1.00 0.00 O ATOM 1293 CB LYS A 85 4.948 -6.472 6.024 1.00 0.00 C ATOM 1294 CG LYS A 85 6.162 -5.879 5.293 1.00 0.00 C ATOM 1295 CD LYS A 85 7.406 -6.776 5.365 1.00 0.00 C ATOM 1296 CE LYS A 85 8.458 -6.275 4.373 1.00 0.00 C ATOM 1297 NZ LYS A 85 9.779 -6.895 4.573 1.00 0.00 N ATOM 0 H LYS A 85 2.991 -6.418 4.136 1.00 0.00 H new ATOM 0 HA LYS A 85 5.010 -8.391 5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.218 -5.681 6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.265 -6.831 7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.903 -5.711 4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.398 -4.906 5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.813 -6.770 6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.137 -7.807 5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.118 -6.478 3.358 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.552 -5.193 4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.449 -6.517 3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.122 -6.681 5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.700 -7.925 4.456 1.00 0.00 H new ATOM 1311 N ASN A 86 3.550 -8.931 7.193 1.00 0.00 N ATOM 1312 CA ASN A 86 2.658 -9.674 8.086 1.00 0.00 C ATOM 1313 C ASN A 86 1.659 -10.559 7.316 1.00 0.00 C ATOM 1314 O ASN A 86 0.552 -10.797 7.804 1.00 0.00 O ATOM 1315 CB ASN A 86 1.914 -8.740 9.058 1.00 0.00 C ATOM 1316 CG ASN A 86 2.804 -7.803 9.856 1.00 0.00 C ATOM 1317 OD1 ASN A 86 3.015 -6.583 9.393 1.00 0.00 O flip ATOM 1318 ND2 ASN A 86 3.351 -8.172 10.893 1.00 0.00 N flip ATOM 0 H ASN A 86 4.529 -9.002 7.470 1.00 0.00 H new ATOM 0 HA ASN A 86 3.298 -10.334 8.671 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.200 -8.143 8.490 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.337 -9.349 9.754 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.187 -9.114 11.249 1.00 0.00 H new ATOM 0 HD22 ASN A 86 3.969 -7.536 11.398 1.00 0.00 H new ATOM 1325 N ALA A 87 2.003 -10.994 6.094 1.00 0.00 N ATOM 1326 CA ALA A 87 1.092 -11.712 5.211 1.00 0.00 C ATOM 1327 C ALA A 87 0.805 -13.076 5.830 1.00 0.00 C ATOM 1328 O ALA A 87 1.645 -13.974 5.735 1.00 0.00 O ATOM 1329 CB ALA A 87 1.661 -11.841 3.790 1.00 0.00 C ATOM 0 H ALA A 87 2.931 -10.852 5.694 1.00 0.00 H new ATOM 0 HA ALA A 87 0.162 -11.152 5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.953 -12.382 3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.830 -10.848 3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 87 2.605 -12.385 3.824 1.00 0.00 H new ATOM 1335 N LYS A 88 -0.342 -13.202 6.490 1.00 0.00 N ATOM 1336 CA LYS A 88 -0.779 -14.414 7.174 1.00 0.00 C ATOM 1337 C LYS A 88 -1.666 -15.186 6.214 1.00 0.00 C ATOM 1338 O LYS A 88 -2.219 -14.606 5.271 1.00 0.00 O ATOM 1339 CB LYS A 88 -1.540 -14.060 8.460 1.00 0.00 C ATOM 1340 CG LYS A 88 -0.620 -13.988 9.686 1.00 0.00 C ATOM 1341 CD LYS A 88 -1.382 -13.528 10.939 1.00 0.00 C ATOM 1342 CE LYS A 88 -1.341 -12.006 11.091 1.00 0.00 C ATOM 1343 NZ LYS A 88 -0.375 -11.580 12.122 1.00 0.00 N ATOM 0 H LYS A 88 -1.014 -12.439 6.566 1.00 0.00 H new ATOM 0 HA LYS A 88 0.078 -15.021 7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.042 -13.101 8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.316 -14.805 8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.178 -14.967 9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.201 -13.300 9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.418 -13.861 10.879 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.947 -13.995 11.823 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.075 -11.553 10.136 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.334 -11.641 11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.378 -10.542 12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.642 -11.991 13.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.578 -11.906 11.861 1.00 0.00 H new ATOM 1357 N GLY A 89 -1.807 -16.487 6.445 1.00 0.00 N ATOM 1358 CA GLY A 89 -2.504 -17.383 5.543 1.00 0.00 C ATOM 1359 C GLY A 89 -1.648 -17.661 4.315 1.00 0.00 C ATOM 1360 O GLY A 89 -1.237 -18.797 4.110 1.00 0.00 O ATOM 0 H GLY A 89 -1.435 -16.949 7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.735 -18.318 6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.454 -16.941 5.241 1.00 0.00 H new ATOM 1364 N LEU A 90 -1.335 -16.634 3.524 1.00 0.00 N ATOM 1365 CA LEU A 90 -0.589 -16.709 2.278 1.00 0.00 C ATOM 1366 C LEU A 90 0.914 -16.810 2.550 1.00 0.00 C ATOM 1367 O LEU A 90 1.653 -16.252 1.753 1.00 0.00 O ATOM 1368 CB LEU A 90 -0.853 -15.413 1.476 1.00 0.00 C ATOM 1369 CG LEU A 90 -2.315 -15.142 1.104 1.00 0.00 C ATOM 1370 CD1 LEU A 90 -2.497 -13.631 0.954 1.00 0.00 C ATOM 1371 CD2 LEU A 90 -2.668 -15.808 -0.225 1.00 0.00 C ATOM 0 H LEU A 90 -1.612 -15.679 3.752 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.909 -17.592 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.483 -14.568 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.266 -15.451 0.558 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.963 -15.545 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.532 -13.414 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.253 -13.140 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.836 -13.261 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.710 -15.603 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.026 -15.412 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.520 -16.885 -0.143 1.00 0.00 H new ATOM 1383 N SER A 91 1.382 -17.351 3.682 1.00 0.00 N ATOM 1384 CA SER A 91 2.644 -16.986 4.341 1.00 0.00 C ATOM 1385 C SER A 91 3.844 -16.899 3.383 1.00 0.00 C ATOM 1386 O SER A 91 4.544 -17.879 3.140 1.00 0.00 O ATOM 1387 CB SER A 91 2.894 -17.894 5.553 1.00 0.00 C ATOM 1388 OG SER A 91 3.594 -17.223 6.589 1.00 0.00 O ATOM 0 H SER A 91 0.875 -18.081 4.182 1.00 0.00 H new ATOM 0 HA SER A 91 2.534 -15.966 4.708 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.940 -18.256 5.937 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.464 -18.768 5.239 1.00 0.00 H new ATOM 0 HG SER A 91 3.731 -17.836 7.342 1.00 0.00 H new ATOM 1394 N ASN A 92 4.059 -15.700 2.826 1.00 0.00 N ATOM 1395 CA ASN A 92 4.998 -15.353 1.756 1.00 0.00 C ATOM 1396 C ASN A 92 4.861 -16.153 0.450 1.00 0.00 C ATOM 1397 O ASN A 92 5.656 -15.933 -0.462 1.00 0.00 O ATOM 1398 CB ASN A 92 6.435 -15.257 2.293 1.00 0.00 C ATOM 1399 CG ASN A 92 6.799 -13.818 2.635 1.00 0.00 C ATOM 1400 OD1 ASN A 92 5.975 -13.055 3.142 1.00 0.00 O ATOM 1401 ND2 ASN A 92 8.017 -13.395 2.358 1.00 0.00 N ATOM 0 H ASN A 92 3.537 -14.882 3.139 1.00 0.00 H new ATOM 0 HA ASN A 92 4.704 -14.357 1.426 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.537 -15.882 3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.131 -15.644 1.549 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.281 -12.432 2.563 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.695 -14.031 1.938 1.00 0.00 H new ATOM 1408 N GLU A 93 3.835 -16.993 0.316 1.00 0.00 N ATOM 1409 CA GLU A 93 3.436 -17.720 -0.880 1.00 0.00 C ATOM 1410 C GLU A 93 2.916 -16.739 -1.949 1.00 0.00 C ATOM 1411 O GLU A 93 3.682 -15.972 -2.539 1.00 0.00 O ATOM 1412 CB GLU A 93 2.367 -18.784 -0.527 1.00 0.00 C ATOM 1413 CG GLU A 93 2.711 -19.834 0.538 1.00 0.00 C ATOM 1414 CD GLU A 93 1.479 -20.697 0.856 1.00 0.00 C ATOM 1415 OE1 GLU A 93 0.762 -21.108 -0.085 1.00 0.00 O ATOM 1416 OE2 GLU A 93 1.203 -20.979 2.046 1.00 0.00 O ATOM 0 H GLU A 93 3.217 -17.195 1.102 1.00 0.00 H new ATOM 0 HA GLU A 93 4.303 -18.237 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.470 -18.258 -0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.108 -19.313 -1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.525 -20.467 0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.061 -19.341 1.445 1.00 0.00 H new ATOM 1423 N SER A 94 1.593 -16.682 -2.152 1.00 0.00 N ATOM 1424 CA SER A 94 0.898 -15.903 -3.173 1.00 0.00 C ATOM 1425 C SER A 94 0.986 -14.379 -2.979 1.00 0.00 C ATOM 1426 O SER A 94 0.375 -13.586 -3.693 1.00 0.00 O ATOM 1427 CB SER A 94 -0.521 -16.436 -3.306 1.00 0.00 C ATOM 1428 OG SER A 94 -0.519 -17.851 -3.429 1.00 0.00 O ATOM 0 H SER A 94 0.945 -17.212 -1.570 1.00 0.00 H new ATOM 0 HA SER A 94 1.413 -16.040 -4.124 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.107 -16.143 -2.435 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.001 -15.991 -4.178 1.00 0.00 H new ATOM 0 HG SER A 94 -1.441 -18.173 -3.512 1.00 0.00 H new ATOM 1434 N VAL A 95 1.803 -13.958 -2.025 1.00 0.00 N ATOM 1435 CA VAL A 95 2.331 -12.618 -1.857 1.00 0.00 C ATOM 1436 C VAL A 95 3.125 -12.227 -3.091 1.00 0.00 C ATOM 1437 O VAL A 95 2.964 -11.106 -3.561 1.00 0.00 O ATOM 1438 CB VAL A 95 3.228 -12.608 -0.608 1.00 0.00 C ATOM 1439 CG1 VAL A 95 3.634 -11.200 -0.182 1.00 0.00 C ATOM 1440 CG2 VAL A 95 2.469 -13.265 0.541 1.00 0.00 C ATOM 0 H VAL A 95 2.136 -14.591 -1.298 1.00 0.00 H new ATOM 0 HA VAL A 95 1.522 -11.898 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 95 4.140 -13.152 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.266 -11.256 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.185 -10.720 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.741 -10.617 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.092 -13.266 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.553 -12.708 0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.219 -14.291 0.272 1.00 0.00 H new ATOM 1450 N ASN A 96 3.938 -13.148 -3.625 1.00 0.00 N ATOM 1451 CA ASN A 96 4.727 -12.906 -4.827 1.00 0.00 C ATOM 1452 C ASN A 96 3.796 -12.470 -5.956 1.00 0.00 C ATOM 1453 O ASN A 96 4.127 -11.560 -6.711 1.00 0.00 O ATOM 1454 CB ASN A 96 5.469 -14.177 -5.282 1.00 0.00 C ATOM 1455 CG ASN A 96 6.596 -14.647 -4.379 1.00 0.00 C ATOM 1456 OD1 ASN A 96 7.747 -14.270 -4.563 1.00 0.00 O ATOM 1457 ND2 ASN A 96 6.338 -15.521 -3.420 1.00 0.00 N ATOM 0 H ASN A 96 4.063 -14.081 -3.231 1.00 0.00 H new ATOM 0 HA ASN A 96 5.460 -12.133 -4.597 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.743 -14.985 -5.375 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.877 -14.000 -6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.096 -15.878 -2.838 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.381 -15.838 -3.263 1.00 0.00 H new ATOM 1464 N LEU A 97 2.617 -13.100 -6.064 1.00 0.00 N ATOM 1465 CA LEU A 97 1.681 -12.774 -7.121 1.00 0.00 C ATOM 1466 C LEU A 97 1.182 -11.364 -6.907 1.00 0.00 C ATOM 1467 O LEU A 97 1.343 -10.505 -7.771 1.00 0.00 O ATOM 1468 CB LEU A 97 0.567 -13.815 -7.117 1.00 0.00 C ATOM 1469 CG LEU A 97 -0.550 -13.587 -8.143 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -1.285 -14.924 -8.186 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -1.548 -12.494 -7.752 1.00 0.00 C ATOM 0 H LEU A 97 2.301 -13.833 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 97 2.148 -12.803 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.008 -14.795 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.123 -13.843 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.122 -13.259 -9.090 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.109 -14.864 -8.897 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.595 -15.709 -8.496 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.677 -15.156 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.304 -12.397 -8.531 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.029 -12.760 -6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.023 -11.546 -7.636 1.00 0.00 H new ATOM 1483 N LEU A 98 0.561 -11.134 -5.754 1.00 0.00 N ATOM 1484 CA LEU A 98 -0.153 -9.899 -5.506 1.00 0.00 C ATOM 1485 C LEU A 98 0.794 -8.708 -5.563 1.00 0.00 C ATOM 1486 O LEU A 98 0.416 -7.685 -6.121 1.00 0.00 O ATOM 1487 CB LEU A 98 -0.851 -10.015 -4.150 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.655 -8.764 -3.759 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -2.745 -8.392 -4.770 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -2.265 -9.038 -2.385 1.00 0.00 C ATOM 0 H LEU A 98 0.542 -11.794 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.904 -9.732 -6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.520 -10.875 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.103 -10.210 -3.382 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.983 -7.906 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.270 -7.500 -4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.289 -8.195 -5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.452 -9.216 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.847 -8.173 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.915 -9.911 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.469 -9.225 -1.664 1.00 0.00 H new ATOM 1502 N LYS A 99 2.022 -8.820 -5.047 1.00 0.00 N ATOM 1503 CA LYS A 99 2.985 -7.724 -5.114 1.00 0.00 C ATOM 1504 C LYS A 99 3.214 -7.327 -6.566 1.00 0.00 C ATOM 1505 O LYS A 99 3.033 -6.163 -6.912 1.00 0.00 O ATOM 1506 CB LYS A 99 4.294 -8.103 -4.403 1.00 0.00 C ATOM 1507 CG LYS A 99 4.786 -6.924 -3.562 1.00 0.00 C ATOM 1508 CD LYS A 99 5.923 -7.343 -2.626 1.00 0.00 C ATOM 1509 CE LYS A 99 7.235 -7.288 -3.393 1.00 0.00 C ATOM 1510 NZ LYS A 99 8.395 -7.555 -2.528 1.00 0.00 N ATOM 0 H LYS A 99 2.369 -9.658 -4.580 1.00 0.00 H new ATOM 0 HA LYS A 99 2.582 -6.857 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.134 -8.974 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.051 -8.379 -5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.129 -6.124 -4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.959 -6.523 -2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.963 -6.681 -1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.749 -8.350 -2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.212 -8.018 -4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.345 -6.306 -3.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.267 -7.507 -3.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.434 -6.844 -1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.305 -8.503 -2.109 1.00 0.00 H new ATOM 1524 N SER A 100 3.498 -8.309 -7.419 1.00 0.00 N ATOM 1525 CA SER A 100 3.681 -8.116 -8.845 1.00 0.00 C ATOM 1526 C SER A 100 2.464 -7.410 -9.463 1.00 0.00 C ATOM 1527 O SER A 100 2.597 -6.462 -10.239 1.00 0.00 O ATOM 1528 CB SER A 100 3.898 -9.510 -9.445 1.00 0.00 C ATOM 1529 OG SER A 100 4.584 -9.469 -10.678 1.00 0.00 O ATOM 0 H SER A 100 3.608 -9.280 -7.126 1.00 0.00 H new ATOM 0 HA SER A 100 4.537 -7.474 -9.054 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.461 -10.121 -8.740 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.932 -9.995 -9.587 1.00 0.00 H new ATOM 0 HG SER A 100 4.699 -10.381 -11.019 1.00 0.00 H new ATOM 1535 N HIS A 101 1.256 -7.863 -9.115 1.00 0.00 N ATOM 1536 CA HIS A 101 0.018 -7.375 -9.704 1.00 0.00 C ATOM 1537 C HIS A 101 -0.227 -5.919 -9.300 1.00 0.00 C ATOM 1538 O HIS A 101 -0.704 -5.134 -10.122 1.00 0.00 O ATOM 1539 CB HIS A 101 -1.137 -8.297 -9.264 1.00 0.00 C ATOM 1540 CG HIS A 101 -1.239 -9.589 -10.047 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -2.404 -10.218 -10.432 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -0.200 -10.367 -10.481 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -2.072 -11.340 -11.094 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -0.735 -11.455 -11.176 1.00 0.00 N ATOM 0 H HIS A 101 1.115 -8.586 -8.409 1.00 0.00 H new ATOM 0 HA HIS A 101 0.085 -7.395 -10.792 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.013 -8.535 -8.208 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.077 -7.753 -9.360 1.00 0.00 H new ATOM 0 HD2 HIS A 101 0.850 -10.174 -10.315 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -2.778 -12.048 -11.502 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -0.214 -12.191 -11.652 1.00 0.00 H new ATOM 1552 N LEU A 102 0.124 -5.550 -8.065 1.00 0.00 N ATOM 1553 CA LEU A 102 0.080 -4.190 -7.535 1.00 0.00 C ATOM 1554 C LEU A 102 1.121 -3.310 -8.201 1.00 0.00 C ATOM 1555 O LEU A 102 0.808 -2.168 -8.524 1.00 0.00 O ATOM 1556 CB LEU A 102 0.259 -4.206 -6.017 1.00 0.00 C ATOM 1557 CG LEU A 102 -0.896 -4.897 -5.284 1.00 0.00 C ATOM 1558 CD1 LEU A 102 -0.481 -5.112 -3.828 1.00 0.00 C ATOM 1559 CD2 LEU A 102 -2.199 -4.093 -5.336 1.00 0.00 C ATOM 0 H LEU A 102 0.462 -6.224 -7.378 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.898 -3.765 -7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.192 -4.713 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.349 -3.181 -5.657 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.094 -5.845 -5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.290 -5.603 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.411 -5.737 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.268 -4.149 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.981 -4.632 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.045 -3.120 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.500 -3.955 -6.374 1.00 0.00 H new ATOM 1571 N GLU A 103 2.336 -3.812 -8.407 1.00 0.00 N ATOM 1572 CA GLU A 103 3.414 -3.038 -9.018 1.00 0.00 C ATOM 1573 C GLU A 103 3.076 -2.676 -10.475 1.00 0.00 C ATOM 1574 O GLU A 103 3.470 -1.609 -10.953 1.00 0.00 O ATOM 1575 CB GLU A 103 4.754 -3.780 -8.832 1.00 0.00 C ATOM 1576 CG GLU A 103 5.239 -3.642 -7.371 1.00 0.00 C ATOM 1577 CD GLU A 103 6.594 -4.302 -7.082 1.00 0.00 C ATOM 1578 OE1 GLU A 103 6.644 -5.513 -6.781 1.00 0.00 O ATOM 1579 OE2 GLU A 103 7.620 -3.571 -7.091 1.00 0.00 O ATOM 0 H GLU A 103 2.601 -4.764 -8.156 1.00 0.00 H new ATOM 0 HA GLU A 103 3.524 -2.078 -8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.634 -4.833 -9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.502 -3.372 -9.512 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.305 -2.583 -7.123 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.489 -4.078 -6.711 1.00 0.00 H new ATOM 1586 N GLU A 104 2.267 -3.495 -11.152 1.00 0.00 N ATOM 1587 CA GLU A 104 1.681 -3.183 -12.451 1.00 0.00 C ATOM 1588 C GLU A 104 0.448 -2.290 -12.322 1.00 0.00 C ATOM 1589 O GLU A 104 0.303 -1.327 -13.074 1.00 0.00 O ATOM 1590 CB GLU A 104 1.264 -4.500 -13.129 1.00 0.00 C ATOM 1591 CG GLU A 104 2.394 -5.120 -13.948 1.00 0.00 C ATOM 1592 CD GLU A 104 2.446 -4.487 -15.343 1.00 0.00 C ATOM 1593 OE1 GLU A 104 1.645 -4.927 -16.202 1.00 0.00 O ATOM 1594 OE2 GLU A 104 3.207 -3.522 -15.588 1.00 0.00 O ATOM 0 H GLU A 104 1.997 -4.414 -10.801 1.00 0.00 H new ATOM 0 HA GLU A 104 2.426 -2.648 -13.040 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.940 -5.210 -12.368 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.408 -4.315 -13.778 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.346 -4.972 -13.438 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.242 -6.196 -14.034 1.00 0.00 H new ATOM 1601 N LEU A 105 -0.468 -2.603 -11.400 1.00 0.00 N ATOM 1602 CA LEU A 105 -1.692 -1.829 -11.184 1.00 0.00 C ATOM 1603 C LEU A 105 -1.336 -0.367 -10.955 1.00 0.00 C ATOM 1604 O LEU A 105 -1.921 0.517 -11.570 1.00 0.00 O ATOM 1605 CB LEU A 105 -2.462 -2.390 -9.981 1.00 0.00 C ATOM 1606 CG LEU A 105 -3.711 -1.579 -9.581 1.00 0.00 C ATOM 1607 CD1 LEU A 105 -4.794 -1.604 -10.662 1.00 0.00 C ATOM 1608 CD2 LEU A 105 -4.268 -2.172 -8.289 1.00 0.00 C ATOM 0 H LEU A 105 -0.379 -3.407 -10.779 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.329 -1.903 -12.066 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.766 -3.412 -10.206 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.788 -2.439 -9.126 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.417 -0.538 -9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.652 -1.018 -10.331 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.398 -1.178 -11.584 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.105 -2.633 -10.842 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.154 -1.614 -7.985 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.535 -3.216 -8.453 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.513 -2.110 -7.505 1.00 0.00 H new ATOM 1620 N ALA A 106 -0.329 -0.122 -10.117 1.00 0.00 N ATOM 1621 CA ALA A 106 0.184 1.186 -9.781 1.00 0.00 C ATOM 1622 C ALA A 106 0.398 2.022 -11.037 1.00 0.00 C ATOM 1623 O ALA A 106 -0.078 3.152 -11.102 1.00 0.00 O ATOM 1624 CB ALA A 106 1.486 0.994 -9.006 1.00 0.00 C ATOM 0 H ALA A 106 0.168 -0.872 -9.637 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.532 1.728 -9.164 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.897 1.967 -8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.289 0.422 -8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.203 0.456 -9.626 1.00 0.00 H new ATOM 1630 N LYS A 107 1.074 1.465 -12.046 1.00 0.00 N ATOM 1631 CA LYS A 107 1.387 2.155 -13.297 1.00 0.00 C ATOM 1632 C LYS A 107 0.103 2.637 -13.955 1.00 0.00 C ATOM 1633 O LYS A 107 -0.028 3.799 -14.338 1.00 0.00 O ATOM 1634 CB LYS A 107 2.141 1.219 -14.238 1.00 0.00 C ATOM 1635 CG LYS A 107 3.528 0.880 -13.681 1.00 0.00 C ATOM 1636 CD LYS A 107 4.049 -0.388 -14.336 1.00 0.00 C ATOM 1637 CE LYS A 107 5.565 -0.449 -14.508 1.00 0.00 C ATOM 1638 NZ LYS A 107 6.343 0.048 -13.354 1.00 0.00 N ATOM 0 H LYS A 107 1.424 0.507 -12.014 1.00 0.00 H new ATOM 0 HA LYS A 107 2.019 3.016 -13.080 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.569 0.302 -14.381 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.243 1.687 -15.217 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.216 1.705 -13.866 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.474 0.746 -12.601 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.731 -1.244 -13.740 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.583 -0.491 -15.316 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.853 -1.482 -14.704 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.840 0.131 -15.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.352 -0.155 -13.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.207 1.075 -13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.018 -0.425 -12.487 1.00 0.00 H new ATOM 1652 N LYS A 108 -0.886 1.754 -14.037 1.00 0.00 N ATOM 1653 CA LYS A 108 -2.115 1.982 -14.763 1.00 0.00 C ATOM 1654 C LYS A 108 -2.998 2.951 -13.995 1.00 0.00 C ATOM 1655 O LYS A 108 -3.813 3.631 -14.611 1.00 0.00 O ATOM 1656 CB LYS A 108 -2.781 0.621 -15.004 1.00 0.00 C ATOM 1657 CG LYS A 108 -1.967 -0.171 -16.042 1.00 0.00 C ATOM 1658 CD LYS A 108 -2.438 -1.617 -16.219 1.00 0.00 C ATOM 1659 CE LYS A 108 -1.505 -2.586 -15.480 1.00 0.00 C ATOM 1660 NZ LYS A 108 -1.401 -3.869 -16.200 1.00 0.00 N ATOM 0 H LYS A 108 -0.847 0.839 -13.587 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.927 2.445 -15.732 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -2.841 0.063 -14.070 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.803 0.761 -15.357 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.024 0.341 -17.003 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.919 -0.173 -15.744 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.454 -1.723 -15.840 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.466 -1.868 -17.279 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.516 -2.139 -15.380 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.880 -2.760 -14.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.438 -4.248 -16.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.083 -4.546 -15.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.608 -3.719 -17.208 1.00 0.00 H new ATOM 1674 N GLN A 109 -2.806 3.078 -12.680 1.00 0.00 N ATOM 1675 CA GLN A 109 -3.518 4.020 -11.844 1.00 0.00 C ATOM 1676 C GLN A 109 -2.789 5.372 -11.743 1.00 0.00 C ATOM 1677 O GLN A 109 -3.328 6.323 -11.180 1.00 0.00 O ATOM 1678 CB GLN A 109 -3.685 3.395 -10.451 1.00 0.00 C ATOM 1679 CG GLN A 109 -4.541 2.119 -10.418 1.00 0.00 C ATOM 1680 CD GLN A 109 -6.013 2.306 -10.783 1.00 0.00 C ATOM 1681 OE1 GLN A 109 -6.621 1.405 -11.363 1.00 0.00 O ATOM 1682 NE2 GLN A 109 -6.623 3.435 -10.466 1.00 0.00 N ATOM 0 H GLN A 109 -2.133 2.511 -12.164 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.491 4.224 -12.292 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.698 3.164 -10.050 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.133 4.134 -9.787 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.104 1.391 -11.102 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.484 1.690 -9.418 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -6.110 4.174 -9.986 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.607 3.567 -10.702 1.00 0.00 H new ATOM 1691 N CYS A 110 -1.542 5.444 -12.216 1.00 0.00 N ATOM 1692 CA CYS A 110 -0.629 6.546 -11.972 1.00 0.00 C ATOM 1693 C CYS A 110 -1.085 7.813 -12.698 1.00 0.00 C ATOM 1694 O CYS A 110 -1.538 7.752 -13.846 1.00 0.00 O ATOM 1695 CB CYS A 110 0.766 6.094 -12.414 1.00 0.00 C ATOM 1696 SG CYS A 110 2.055 7.171 -11.740 1.00 0.00 S ATOM 0 H CYS A 110 -1.135 4.711 -12.796 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.611 6.803 -10.913 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.939 5.069 -12.086 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.822 6.094 -13.503 1.00 0.00 H new ATOM 0 HG CYS A 110 1.510 8.241 -11.243 1.00 0.00 H new ATOM 1702 N GLY A 111 -0.899 8.958 -12.035 1.00 0.00 N ATOM 1703 CA GLY A 111 -1.302 10.286 -12.478 1.00 0.00 C ATOM 1704 C GLY A 111 -2.149 10.966 -11.405 1.00 0.00 C ATOM 1705 O GLY A 111 -1.889 12.117 -11.032 1.00 0.00 O ATOM 0 H GLY A 111 -0.438 8.979 -11.126 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.420 10.889 -12.691 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.869 10.211 -13.406 1.00 0.00 H new ATOM 1709 N GLU A 112 -3.108 10.221 -10.854 1.00 0.00 N ATOM 1710 CA GLU A 112 -3.909 10.590 -9.698 1.00 0.00 C ATOM 1711 C GLU A 112 -3.670 9.536 -8.615 1.00 0.00 C ATOM 1712 O GLU A 112 -2.915 8.575 -8.805 1.00 0.00 O ATOM 1713 CB GLU A 112 -5.398 10.792 -10.070 1.00 0.00 C ATOM 1714 CG GLU A 112 -6.199 9.489 -10.231 1.00 0.00 C ATOM 1715 CD GLU A 112 -7.638 9.693 -10.730 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -7.855 10.329 -11.789 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -8.559 9.168 -10.053 1.00 0.00 O ATOM 0 H GLU A 112 -3.355 9.302 -11.222 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.605 11.561 -9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.872 11.402 -9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.453 11.355 -11.002 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.674 8.836 -10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.229 8.973 -9.271 1.00 0.00 H new ATOM 1724 N VAL A 113 -4.281 9.734 -7.455 1.00 0.00 N ATOM 1725 CA VAL A 113 -4.066 8.888 -6.296 1.00 0.00 C ATOM 1726 C VAL A 113 -4.681 7.503 -6.527 1.00 0.00 C ATOM 1727 O VAL A 113 -5.737 7.360 -7.151 1.00 0.00 O ATOM 1728 CB VAL A 113 -4.582 9.611 -5.039 1.00 0.00 C ATOM 1729 CG1 VAL A 113 -3.823 10.945 -4.897 1.00 0.00 C ATOM 1730 CG2 VAL A 113 -6.097 9.857 -5.082 1.00 0.00 C ATOM 0 H VAL A 113 -4.944 10.492 -7.294 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.003 8.709 -6.136 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.399 8.972 -4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.176 11.472 -4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.755 10.748 -4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.000 11.560 -5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.408 10.370 -4.172 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.341 10.473 -5.947 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.619 8.903 -5.158 1.00 0.00 H new ATOM 1740 N MET A 114 -4.004 6.467 -6.037 1.00 0.00 N ATOM 1741 CA MET A 114 -4.266 5.062 -6.369 1.00 0.00 C ATOM 1742 C MET A 114 -4.433 4.194 -5.124 1.00 0.00 C ATOM 1743 O MET A 114 -4.783 3.026 -5.249 1.00 0.00 O ATOM 1744 CB MET A 114 -3.114 4.557 -7.245 1.00 0.00 C ATOM 1745 CG MET A 114 -1.763 4.560 -6.522 1.00 0.00 C ATOM 1746 SD MET A 114 -0.365 3.978 -7.510 1.00 0.00 S ATOM 1747 CE MET A 114 -0.211 5.349 -8.683 1.00 0.00 C ATOM 0 H MET A 114 -3.234 6.582 -5.378 1.00 0.00 H new ATOM 0 HA MET A 114 -5.210 4.993 -6.910 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.338 3.544 -7.580 1.00 0.00 H new ATOM 0 HB3 MET A 114 -3.044 5.180 -8.137 1.00 0.00 H new ATOM 0 HG2 MET A 114 -1.552 5.574 -6.183 1.00 0.00 H new ATOM 0 HG3 MET A 114 -1.843 3.937 -5.631 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.737 5.268 -9.215 1.00 0.00 H new ATOM 0 HE2 MET A 114 -1.033 5.310 -9.398 1.00 0.00 H new ATOM 0 HE3 MET A 114 -0.245 6.295 -8.143 1.00 0.00 H new ATOM 1757 N ILE A 115 -4.162 4.726 -3.931 1.00 0.00 N ATOM 1758 CA ILE A 115 -3.994 3.936 -2.717 1.00 0.00 C ATOM 1759 C ILE A 115 -5.244 3.124 -2.416 1.00 0.00 C ATOM 1760 O ILE A 115 -5.146 1.921 -2.183 1.00 0.00 O ATOM 1761 CB ILE A 115 -3.654 4.878 -1.531 1.00 0.00 C ATOM 1762 CG1 ILE A 115 -2.241 5.448 -1.732 1.00 0.00 C ATOM 1763 CG2 ILE A 115 -3.777 4.167 -0.165 1.00 0.00 C ATOM 1764 CD1 ILE A 115 -1.946 6.698 -0.913 1.00 0.00 C ATOM 0 H ILE A 115 -4.052 5.729 -3.782 1.00 0.00 H new ATOM 0 HA ILE A 115 -3.174 3.234 -2.865 1.00 0.00 H new ATOM 0 HB ILE A 115 -4.379 5.692 -1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.512 4.679 -1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -2.102 5.679 -2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -3.529 4.867 0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.798 3.811 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.090 3.321 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.929 7.033 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -2.649 7.486 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -2.049 6.471 0.148 1.00 0.00 H new ATOM 1776 N PHE A 116 -6.402 3.783 -2.419 1.00 0.00 N ATOM 1777 CA PHE A 116 -7.662 3.140 -2.087 1.00 0.00 C ATOM 1778 C PHE A 116 -7.969 2.013 -3.089 1.00 0.00 C ATOM 1779 O PHE A 116 -8.609 1.034 -2.713 1.00 0.00 O ATOM 1780 CB PHE A 116 -8.792 4.179 -2.063 1.00 0.00 C ATOM 1781 CG PHE A 116 -8.880 5.122 -0.876 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -8.165 6.338 -0.852 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -9.804 4.846 0.152 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -8.374 7.259 0.194 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -10.001 5.759 1.196 1.00 0.00 C ATOM 1786 CZ PHE A 116 -9.295 6.971 1.217 1.00 0.00 C ATOM 0 H PHE A 116 -6.488 4.773 -2.651 1.00 0.00 H new ATOM 0 HA PHE A 116 -7.583 2.696 -1.095 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -8.704 4.786 -2.964 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -9.738 3.642 -2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -7.457 6.563 -1.636 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -10.365 3.923 0.135 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -7.825 8.189 0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -10.699 5.529 1.987 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.458 7.680 2.015 1.00 0.00 H new ATOM 1796 N GLU A 117 -7.501 2.096 -4.345 1.00 0.00 N ATOM 1797 CA GLU A 117 -7.626 1.015 -5.305 1.00 0.00 C ATOM 1798 C GLU A 117 -6.612 -0.076 -4.982 1.00 0.00 C ATOM 1799 O GLU A 117 -6.993 -1.235 -4.953 1.00 0.00 O ATOM 1800 CB GLU A 117 -7.487 1.551 -6.736 1.00 0.00 C ATOM 1801 CG GLU A 117 -7.349 0.457 -7.794 1.00 0.00 C ATOM 1802 CD GLU A 117 -8.390 -0.688 -7.705 1.00 0.00 C ATOM 1803 OE1 GLU A 117 -9.556 -0.407 -7.346 1.00 0.00 O ATOM 1804 OE2 GLU A 117 -8.067 -1.864 -8.006 1.00 0.00 O ATOM 0 H GLU A 117 -7.026 2.921 -4.713 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.618 0.569 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.358 2.163 -6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -6.616 2.204 -6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.423 0.917 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -6.351 0.025 -7.718 1.00 0.00 H new ATOM 1811 N LEU A 118 -5.347 0.248 -4.692 1.00 0.00 N ATOM 1812 CA LEU A 118 -4.335 -0.768 -4.366 1.00 0.00 C ATOM 1813 C LEU A 118 -4.830 -1.629 -3.200 1.00 0.00 C ATOM 1814 O LEU A 118 -4.801 -2.859 -3.249 1.00 0.00 O ATOM 1815 CB LEU A 118 -2.969 -0.168 -3.984 1.00 0.00 C ATOM 1816 CG LEU A 118 -2.326 0.883 -4.909 1.00 0.00 C ATOM 1817 CD1 LEU A 118 -0.810 0.773 -4.782 1.00 0.00 C ATOM 1818 CD2 LEU A 118 -2.665 0.809 -6.392 1.00 0.00 C ATOM 0 H LEU A 118 -4.998 1.206 -4.676 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.192 -1.362 -5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.073 0.283 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -2.264 -0.993 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.744 1.830 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.336 1.510 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.517 0.957 -3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.492 -0.227 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.145 1.606 -6.924 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -2.352 -0.157 -6.789 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.741 0.925 -6.526 1.00 0.00 H new ATOM 1830 N ALA A 119 -5.300 -0.957 -2.153 1.00 0.00 N ATOM 1831 CA ALA A 119 -5.965 -1.531 -1.002 1.00 0.00 C ATOM 1832 C ALA A 119 -7.181 -2.384 -1.406 1.00 0.00 C ATOM 1833 O ALA A 119 -7.301 -3.524 -0.949 1.00 0.00 O ATOM 1834 CB ALA A 119 -6.332 -0.379 -0.065 1.00 0.00 C ATOM 0 H ALA A 119 -5.219 0.058 -2.088 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.301 -2.224 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -6.837 -0.774 0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.426 0.145 0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -6.995 0.314 -0.583 1.00 0.00 H new ATOM 1840 N HIS A 120 -8.064 -1.885 -2.278 1.00 0.00 N ATOM 1841 CA HIS A 120 -9.194 -2.654 -2.807 1.00 0.00 C ATOM 1842 C HIS A 120 -8.760 -3.878 -3.607 1.00 0.00 C ATOM 1843 O HIS A 120 -9.458 -4.892 -3.616 1.00 0.00 O ATOM 1844 CB HIS A 120 -10.099 -1.776 -3.682 1.00 0.00 C ATOM 1845 CG HIS A 120 -11.344 -1.398 -2.944 1.00 0.00 C ATOM 1846 ND1 HIS A 120 -12.625 -1.786 -3.255 1.00 0.00 N ATOM 1847 CD2 HIS A 120 -11.380 -0.754 -1.742 1.00 0.00 C ATOM 1848 CE1 HIS A 120 -13.424 -1.375 -2.262 1.00 0.00 C ATOM 1849 NE2 HIS A 120 -12.713 -0.735 -1.319 1.00 0.00 N ATOM 0 H HIS A 120 -8.014 -0.932 -2.638 1.00 0.00 H new ATOM 0 HA HIS A 120 -9.747 -3.004 -1.935 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.561 -0.877 -3.982 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -10.360 -2.311 -4.595 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -10.535 -0.336 -1.215 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -14.491 -1.536 -2.225 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -13.075 -0.317 -0.462 1.00 0.00 H new ATOM 1857 N HIS A 121 -7.635 -3.800 -4.300 1.00 0.00 N ATOM 1858 CA HIS A 121 -7.117 -4.858 -5.135 1.00 0.00 C ATOM 1859 C HIS A 121 -6.608 -5.994 -4.253 1.00 0.00 C ATOM 1860 O HIS A 121 -6.920 -7.161 -4.485 1.00 0.00 O ATOM 1861 CB HIS A 121 -6.020 -4.279 -6.027 1.00 0.00 C ATOM 1862 CG HIS A 121 -5.765 -5.170 -7.196 1.00 0.00 C ATOM 1863 ND1 HIS A 121 -6.475 -5.133 -8.369 1.00 0.00 N ATOM 1864 CD2 HIS A 121 -4.857 -6.187 -7.262 1.00 0.00 C ATOM 1865 CE1 HIS A 121 -6.023 -6.137 -9.133 1.00 0.00 C ATOM 1866 NE2 HIS A 121 -5.038 -6.811 -8.501 1.00 0.00 N ATOM 0 H HIS A 121 -7.043 -2.970 -4.293 1.00 0.00 H new ATOM 0 HA HIS A 121 -7.895 -5.270 -5.778 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -6.313 -3.289 -6.376 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -5.103 -4.156 -5.451 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -4.137 -6.458 -6.504 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -6.395 -6.374 -10.119 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -4.526 -7.618 -8.858 1.00 0.00 H new ATOM 1874 N VAL A 122 -5.877 -5.651 -3.189 1.00 0.00 N ATOM 1875 CA VAL A 122 -5.519 -6.591 -2.138 1.00 0.00 C ATOM 1876 C VAL A 122 -6.785 -7.213 -1.548 1.00 0.00 C ATOM 1877 O VAL A 122 -6.811 -8.426 -1.361 1.00 0.00 O ATOM 1878 CB VAL A 122 -4.697 -5.872 -1.058 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -4.498 -6.745 0.188 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -3.320 -5.407 -1.536 1.00 0.00 C ATOM 0 H VAL A 122 -5.518 -4.708 -3.037 1.00 0.00 H new ATOM 0 HA VAL A 122 -4.908 -7.393 -2.553 1.00 0.00 H new ATOM 0 HB VAL A 122 -5.291 -4.991 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -3.912 -6.198 0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -5.469 -7.000 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.972 -7.659 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.800 -4.909 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.739 -6.269 -1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.439 -4.712 -2.367 1.00 0.00 H new ATOM 1890 N GLN A 123 -7.811 -6.421 -1.228 1.00 0.00 N ATOM 1891 CA GLN A 123 -9.065 -6.924 -0.674 1.00 0.00 C ATOM 1892 C GLN A 123 -9.686 -7.975 -1.606 1.00 0.00 C ATOM 1893 O GLN A 123 -9.975 -9.100 -1.185 1.00 0.00 O ATOM 1894 CB GLN A 123 -10.003 -5.733 -0.384 1.00 0.00 C ATOM 1895 CG GLN A 123 -9.778 -5.124 0.987 1.00 0.00 C ATOM 1896 CD GLN A 123 -10.796 -4.031 1.283 1.00 0.00 C ATOM 1897 OE1 GLN A 123 -11.641 -3.634 0.486 1.00 0.00 O ATOM 1898 NE2 GLN A 123 -10.703 -3.479 2.467 1.00 0.00 N ATOM 0 H GLN A 123 -7.793 -5.408 -1.347 1.00 0.00 H new ATOM 0 HA GLN A 123 -8.883 -7.435 0.271 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -9.855 -4.967 -1.145 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -11.038 -6.065 -0.463 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -9.845 -5.902 1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.771 -4.710 1.042 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.001 -3.809 3.130 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.333 -2.720 2.727 1.00 0.00 H new ATOM 1907 N SER A 124 -9.782 -7.642 -2.895 1.00 0.00 N ATOM 1908 CA SER A 124 -10.272 -8.514 -3.955 1.00 0.00 C ATOM 1909 C SER A 124 -9.509 -9.841 -3.946 1.00 0.00 C ATOM 1910 O SER A 124 -10.121 -10.911 -4.000 1.00 0.00 O ATOM 1911 CB SER A 124 -10.124 -7.779 -5.300 1.00 0.00 C ATOM 1912 OG SER A 124 -10.946 -8.309 -6.326 1.00 0.00 O ATOM 0 H SER A 124 -9.509 -6.721 -3.238 1.00 0.00 H new ATOM 0 HA SER A 124 -11.324 -8.750 -3.796 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.367 -6.726 -5.158 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.083 -7.826 -5.618 1.00 0.00 H new ATOM 0 HG SER A 124 -10.808 -7.800 -7.152 1.00 0.00 H new ATOM 1918 N PHE A 125 -8.176 -9.786 -3.891 1.00 0.00 N ATOM 1919 CA PHE A 125 -7.317 -10.942 -3.943 1.00 0.00 C ATOM 1920 C PHE A 125 -7.469 -11.774 -2.673 1.00 0.00 C ATOM 1921 O PHE A 125 -7.460 -13.003 -2.722 1.00 0.00 O ATOM 1922 CB PHE A 125 -5.886 -10.429 -4.059 1.00 0.00 C ATOM 1923 CG PHE A 125 -4.886 -11.547 -3.996 1.00 0.00 C ATOM 1924 CD1 PHE A 125 -4.420 -11.942 -2.738 1.00 0.00 C ATOM 1925 CD2 PHE A 125 -4.525 -12.256 -5.150 1.00 0.00 C ATOM 1926 CE1 PHE A 125 -3.583 -13.059 -2.622 1.00 0.00 C ATOM 1927 CE2 PHE A 125 -3.685 -13.378 -5.039 1.00 0.00 C ATOM 1928 CZ PHE A 125 -3.218 -13.778 -3.774 1.00 0.00 C ATOM 0 H PHE A 125 -7.664 -8.908 -3.807 1.00 0.00 H new ATOM 0 HA PHE A 125 -7.577 -11.577 -4.790 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -5.769 -9.889 -4.998 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -5.688 -9.719 -3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -4.705 -11.386 -1.857 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -4.889 -11.943 -6.117 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.220 -13.367 -1.653 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.399 -13.931 -5.922 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.576 -14.642 -3.687 1.00 0.00 H new ATOM 1938 N LEU A 126 -7.552 -11.104 -1.519 1.00 0.00 N ATOM 1939 CA LEU A 126 -7.621 -11.771 -0.238 1.00 0.00 C ATOM 1940 C LEU A 126 -8.849 -12.662 -0.248 1.00 0.00 C ATOM 1941 O LEU A 126 -8.704 -13.852 -0.014 1.00 0.00 O ATOM 1942 CB LEU A 126 -7.642 -10.781 0.940 1.00 0.00 C ATOM 1943 CG LEU A 126 -6.259 -10.232 1.327 1.00 0.00 C ATOM 1944 CD1 LEU A 126 -6.428 -9.080 2.317 1.00 0.00 C ATOM 1945 CD2 LEU A 126 -5.390 -11.309 1.990 1.00 0.00 C ATOM 0 H LEU A 126 -7.572 -10.086 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.723 -12.370 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.294 -9.945 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.080 -11.275 1.807 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.769 -9.895 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.448 -8.690 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.018 -8.288 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.939 -9.440 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.420 -10.885 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.883 -11.669 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.249 -12.140 1.298 1.00 0.00 H new ATOM 1957 N SER A 127 -10.029 -12.108 -0.537 1.00 0.00 N ATOM 1958 CA SER A 127 -11.270 -12.865 -0.660 1.00 0.00 C ATOM 1959 C SER A 127 -11.113 -14.037 -1.641 1.00 0.00 C ATOM 1960 O SER A 127 -11.465 -15.167 -1.296 1.00 0.00 O ATOM 1961 CB SER A 127 -12.407 -11.913 -1.044 1.00 0.00 C ATOM 1962 OG SER A 127 -13.685 -12.511 -0.898 1.00 0.00 O ATOM 0 H SER A 127 -10.147 -11.107 -0.694 1.00 0.00 H new ATOM 0 HA SER A 127 -11.521 -13.315 0.300 1.00 0.00 H new ATOM 0 HB2 SER A 127 -12.354 -11.019 -0.423 1.00 0.00 H new ATOM 0 HB3 SER A 127 -12.275 -11.592 -2.077 1.00 0.00 H new ATOM 0 HG SER A 127 -14.379 -11.867 -1.152 1.00 0.00 H new ATOM 1968 N GLU A 128 -10.527 -13.803 -2.821 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.235 -14.802 -3.824 1.00 0.00 C ATOM 1970 C GLU A 128 -9.531 -16.038 -3.263 1.00 0.00 C ATOM 1971 O GLU A 128 -9.853 -17.158 -3.664 1.00 0.00 O ATOM 1972 CB GLU A 128 -9.320 -14.152 -4.874 1.00 0.00 C ATOM 1973 CG GLU A 128 -9.865 -14.290 -6.288 1.00 0.00 C ATOM 1974 CD GLU A 128 -8.746 -14.630 -7.272 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -8.048 -13.703 -7.746 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -8.497 -15.830 -7.525 1.00 0.00 O ATOM 0 H GLU A 128 -10.235 -12.867 -3.103 1.00 0.00 H new ATOM 0 HA GLU A 128 -11.182 -15.141 -4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -9.195 -13.095 -4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -8.332 -14.609 -4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -10.627 -15.069 -6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -10.349 -13.361 -6.588 1.00 0.00 H new ATOM 1983 N HIS A 129 -8.542 -15.843 -2.389 1.00 0.00 N ATOM 1984 CA HIS A 129 -7.751 -16.923 -1.805 1.00 0.00 C ATOM 1985 C HIS A 129 -8.312 -17.374 -0.451 1.00 0.00 C ATOM 1986 O HIS A 129 -7.967 -18.442 0.046 1.00 0.00 O ATOM 1987 CB HIS A 129 -6.292 -16.461 -1.675 1.00 0.00 C ATOM 1988 CG HIS A 129 -5.329 -17.565 -2.019 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -5.062 -18.678 -1.254 1.00 0.00 N ATOM 1990 CD2 HIS A 129 -4.650 -17.692 -3.200 1.00 0.00 C ATOM 1991 CE1 HIS A 129 -4.232 -19.462 -1.962 1.00 0.00 C ATOM 1992 NE2 HIS A 129 -3.961 -18.907 -3.159 1.00 0.00 N ATOM 0 H HIS A 129 -8.266 -14.917 -2.064 1.00 0.00 H new ATOM 0 HA HIS A 129 -7.800 -17.790 -2.464 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -6.120 -15.609 -2.332 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -6.107 -16.120 -0.656 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -4.647 -16.983 -4.015 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -3.837 -20.407 -1.619 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -3.369 -19.297 -3.892 1.00 0.00 H new ATOM 2000 N ASN A 130 -9.165 -16.551 0.158 1.00 0.00 N ATOM 2001 CA ASN A 130 -9.760 -16.786 1.474 1.00 0.00 C ATOM 2002 C ASN A 130 -10.798 -17.891 1.387 1.00 0.00 C ATOM 2003 O ASN A 130 -10.767 -18.785 2.228 1.00 0.00 O ATOM 2004 CB ASN A 130 -10.426 -15.509 2.005 1.00 0.00 C ATOM 2005 CG ASN A 130 -11.193 -15.657 3.314 1.00 0.00 C ATOM 2006 OD1 ASN A 130 -12.323 -15.201 3.406 1.00 0.00 O ATOM 2007 ND2 ASN A 130 -10.608 -16.194 4.373 1.00 0.00 N ATOM 0 H ASN A 130 -9.471 -15.674 -0.264 1.00 0.00 H new ATOM 0 HA ASN A 130 -8.964 -17.082 2.158 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -9.656 -14.749 2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -11.111 -15.136 1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -11.100 -16.227 5.266 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -9.665 -16.575 4.296 1.00 0.00 H new