USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 LYS NZ :NH3+ -153:sc= 1.12 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= 1.92 K(o=3.9,f=-2.2) USER MOD Set 1.3: B 140 GLN : amide:sc= 0.84 K(o=3.9,f=-2.2) USER MOD Set 2.1: A 26 SER OG : rot 180:sc=-0.000249 USER MOD Set 2.2: A 28 ASN : amide:sc= 0.101 K(o=0.1,f=-2.7!) USER MOD Set 3.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 127 LYS NZ :NH3+ 176:sc= 1.11 (180deg=1.1) USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0126) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.468 USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 0.00572 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0.653 K(o=0.65,f=-4.6!) USER MOD Single : A 31 MET CE :methyl 180:sc= -0.395 (180deg=-0.395) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 TYR OH : rot 180:sc= 0.441 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 123 SER OG : rot 180:sc= 0 USER MOD Single : B 126 SER OG : rot 180:sc= -0.0122 USER MOD Single : B 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 129 GLN : amide:sc= 0.6 K(o=0.6,f=-4.2!) USER MOD Single : B 131 MET CE :methyl 148:sc= -0.0161 (180deg=-0.115) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 139 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N TRP A 14 -14.252 7.511 -2.511 1.00 0.00 N ATOM 165 CA TRP A 14 -13.063 7.060 -3.255 1.00 0.00 C ATOM 166 C TRP A 14 -12.278 5.947 -2.538 1.00 0.00 C ATOM 167 O TRP A 14 -11.664 5.106 -3.197 1.00 0.00 O ATOM 168 CB TRP A 14 -12.153 8.271 -3.540 1.00 0.00 C ATOM 169 CG TRP A 14 -11.427 8.874 -2.369 1.00 0.00 C ATOM 170 CD1 TRP A 14 -11.808 9.989 -1.703 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.189 8.437 -1.721 1.00 0.00 C ATOM 172 NE1 TRP A 14 -10.911 10.257 -0.684 1.00 0.00 N ATOM 173 CE2 TRP A 14 -9.892 9.331 -0.644 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.272 7.387 -1.948 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.770 9.166 0.190 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.145 7.209 -1.122 1.00 0.00 C ATOM 177 CH2 TRP A 14 -7.895 8.091 -0.051 1.00 0.00 C ATOM 0 HA TRP A 14 -13.412 6.621 -4.190 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.411 7.970 -4.279 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -12.761 9.051 -3.999 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -12.682 10.581 -1.933 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -10.994 11.044 -0.041 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.438 6.707 -2.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.584 9.854 1.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.467 6.390 -1.311 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.034 7.942 0.583 1.00 0.00 H new ATOM 188 N LYS A 15 -12.327 5.900 -1.199 1.00 0.00 N ATOM 189 CA LYS A 15 -11.625 4.923 -0.348 1.00 0.00 C ATOM 190 C LYS A 15 -12.070 3.479 -0.601 1.00 0.00 C ATOM 191 O LYS A 15 -11.237 2.576 -0.604 1.00 0.00 O ATOM 192 CB LYS A 15 -11.838 5.289 1.131 1.00 0.00 C ATOM 193 CG LYS A 15 -11.375 6.717 1.455 1.00 0.00 C ATOM 194 CD LYS A 15 -11.507 7.017 2.951 1.00 0.00 C ATOM 195 CE LYS A 15 -11.178 8.484 3.259 1.00 0.00 C ATOM 196 NZ LYS A 15 -12.270 9.393 2.831 1.00 0.00 N1+ ATOM 0 H LYS A 15 -12.877 6.566 -0.656 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.567 4.972 -0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.895 5.188 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.295 4.583 1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.337 6.844 1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.967 7.432 0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.522 6.793 3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.838 6.366 3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.005 8.601 4.329 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.253 8.763 2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.035 10.369 3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.384 9.337 1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.158 9.111 3.293 1.00 0.00 H new ATOM 210 N ASP A 16 -13.360 3.260 -0.857 1.00 0.00 N ATOM 211 CA ASP A 16 -13.911 1.930 -1.169 1.00 0.00 C ATOM 212 C ASP A 16 -13.443 1.420 -2.539 1.00 0.00 C ATOM 213 O ASP A 16 -13.103 0.248 -2.684 1.00 0.00 O ATOM 214 CB ASP A 16 -15.452 1.968 -1.116 1.00 0.00 C ATOM 215 CG ASP A 16 -16.050 2.307 0.261 1.00 0.00 C ATOM 216 OD1 ASP A 16 -17.249 2.679 0.311 1.00 0.00 O ATOM 217 OD2 ASP A 16 -15.361 2.179 1.303 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.061 4.001 -0.855 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.538 1.236 -0.416 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.807 2.702 -1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.835 0.998 -1.432 1.00 0.00 H new ATOM 222 N ASP A 17 -13.352 2.309 -3.533 1.00 0.00 N ATOM 223 CA ASP A 17 -12.774 1.995 -4.847 1.00 0.00 C ATOM 224 C ASP A 17 -11.251 1.774 -4.763 1.00 0.00 C ATOM 225 O ASP A 17 -10.712 0.915 -5.464 1.00 0.00 O ATOM 226 CB ASP A 17 -13.095 3.116 -5.856 1.00 0.00 C ATOM 227 CG ASP A 17 -14.600 3.324 -6.112 1.00 0.00 C ATOM 228 OD1 ASP A 17 -14.989 4.472 -6.431 1.00 0.00 O ATOM 229 OD2 ASP A 17 -15.391 2.353 -6.035 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.678 3.272 -3.450 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.225 1.064 -5.191 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.667 4.050 -5.492 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.605 2.889 -6.803 1.00 0.00 H new ATOM 234 N TYR A 18 -10.562 2.509 -3.877 1.00 0.00 N ATOM 235 CA TYR A 18 -9.125 2.359 -3.648 1.00 0.00 C ATOM 236 C TYR A 18 -8.809 0.987 -3.031 1.00 0.00 C ATOM 237 O TYR A 18 -7.973 0.250 -3.551 1.00 0.00 O ATOM 238 CB TYR A 18 -8.595 3.517 -2.787 1.00 0.00 C ATOM 239 CG TYR A 18 -7.143 3.862 -3.054 1.00 0.00 C ATOM 240 CD1 TYR A 18 -6.146 3.636 -2.083 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.795 4.434 -4.295 1.00 0.00 C ATOM 242 CE1 TYR A 18 -4.806 3.983 -2.356 1.00 0.00 C ATOM 243 CE2 TYR A 18 -5.458 4.763 -4.578 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.457 4.536 -3.610 1.00 0.00 C ATOM 245 OH TYR A 18 -3.161 4.853 -3.882 1.00 0.00 O ATOM 0 H TYR A 18 -10.994 3.228 -3.297 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.610 2.403 -4.608 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.208 4.401 -2.966 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.710 3.257 -1.735 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.408 3.198 -1.131 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.561 4.621 -5.033 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.045 3.826 -1.606 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.197 5.189 -5.536 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.097 5.221 -4.788 1.00 0.00 H new ATOM 255 N LEU A 19 -9.542 0.575 -1.991 1.00 0.00 N ATOM 256 CA LEU A 19 -9.429 -0.777 -1.425 1.00 0.00 C ATOM 257 C LEU A 19 -9.821 -1.861 -2.442 1.00 0.00 C ATOM 258 O LEU A 19 -9.169 -2.903 -2.504 1.00 0.00 O ATOM 259 CB LEU A 19 -10.276 -0.884 -0.144 1.00 0.00 C ATOM 260 CG LEU A 19 -9.463 -0.656 1.138 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.750 0.693 1.196 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.387 -0.765 2.352 1.00 0.00 C ATOM 0 H LEU A 19 -10.227 1.165 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.383 -0.949 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.085 -0.154 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.738 -1.870 -0.103 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.690 -1.425 1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.199 0.773 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.056 0.774 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.485 1.496 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.811 -0.603 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.172 -0.012 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.837 -1.757 2.379 1.00 0.00 H new ATOM 274 N SER A 20 -10.835 -1.629 -3.284 1.00 0.00 N ATOM 275 CA SER A 20 -11.197 -2.585 -4.344 1.00 0.00 C ATOM 276 C SER A 20 -10.059 -2.789 -5.354 1.00 0.00 C ATOM 277 O SER A 20 -9.724 -3.935 -5.657 1.00 0.00 O ATOM 278 CB SER A 20 -12.488 -2.171 -5.059 1.00 0.00 C ATOM 279 OG SER A 20 -12.859 -3.156 -6.014 1.00 0.00 O ATOM 0 H SER A 20 -11.418 -0.793 -3.255 1.00 0.00 H new ATOM 0 HA SER A 20 -11.373 -3.542 -3.852 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.289 -2.040 -4.331 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.346 -1.210 -5.554 1.00 0.00 H new ATOM 0 HG SER A 20 -13.686 -2.881 -6.463 1.00 0.00 H new ATOM 285 N ARG A 21 -9.416 -1.717 -5.842 1.00 0.00 N ATOM 286 CA ARG A 21 -8.342 -1.815 -6.847 1.00 0.00 C ATOM 287 C ARG A 21 -6.997 -2.277 -6.276 1.00 0.00 C ATOM 288 O ARG A 21 -6.319 -3.082 -6.912 1.00 0.00 O ATOM 289 CB ARG A 21 -8.257 -0.510 -7.661 1.00 0.00 C ATOM 290 CG ARG A 21 -7.539 0.653 -6.961 1.00 0.00 C ATOM 291 CD ARG A 21 -7.679 1.974 -7.725 1.00 0.00 C ATOM 292 NE ARG A 21 -7.085 1.909 -9.078 1.00 0.00 N ATOM 293 CZ ARG A 21 -5.809 2.017 -9.406 1.00 0.00 C ATOM 294 NH1 ARG A 21 -4.872 2.223 -8.526 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -5.446 1.918 -10.656 1.00 0.00 N ATOM 0 H ARG A 21 -9.623 -0.761 -5.554 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.609 -2.617 -7.536 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.745 -0.719 -8.600 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.268 -0.192 -7.914 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.944 0.774 -5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.482 0.410 -6.852 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.735 2.233 -7.807 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.198 2.771 -7.158 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.737 1.764 -9.849 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.110 2.308 -7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.900 2.300 -8.825 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.147 1.757 -11.379 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.461 2.001 -10.909 1.00 0.00 H new ATOM 309 N LEU A 22 -6.629 -1.850 -5.063 1.00 0.00 N ATOM 310 CA LEU A 22 -5.394 -2.272 -4.376 1.00 0.00 C ATOM 311 C LEU A 22 -5.323 -3.802 -4.196 1.00 0.00 C ATOM 312 O LEU A 22 -4.253 -4.391 -4.350 1.00 0.00 O ATOM 313 CB LEU A 22 -5.280 -1.569 -3.009 1.00 0.00 C ATOM 314 CG LEU A 22 -4.426 -0.288 -2.976 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.704 0.737 -4.082 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.631 0.395 -1.624 1.00 0.00 C ATOM 0 H LEU A 22 -7.186 -1.191 -4.519 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.554 -1.979 -5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.284 -1.321 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.864 -2.277 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.402 -0.622 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.044 1.595 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.524 0.280 -5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.742 1.065 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.033 1.305 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.684 0.646 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.322 -0.279 -0.825 1.00 0.00 H new ATOM 328 N SER A 23 -6.461 -4.451 -3.920 1.00 0.00 N ATOM 329 CA SER A 23 -6.554 -5.910 -3.771 1.00 0.00 C ATOM 330 C SER A 23 -6.200 -6.702 -5.049 1.00 0.00 C ATOM 331 O SER A 23 -5.823 -7.877 -4.959 1.00 0.00 O ATOM 332 CB SER A 23 -7.965 -6.270 -3.290 1.00 0.00 C ATOM 333 OG SER A 23 -8.043 -7.629 -2.891 1.00 0.00 O ATOM 0 H SER A 23 -7.353 -3.973 -3.792 1.00 0.00 H new ATOM 0 HA SER A 23 -5.804 -6.203 -3.036 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.242 -5.627 -2.454 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.683 -6.082 -4.088 1.00 0.00 H new ATOM 0 HG SER A 23 -8.953 -7.829 -2.588 1.00 0.00 H new ATOM 339 N ARG A 24 -6.279 -6.086 -6.239 1.00 0.00 N ATOM 340 CA ARG A 24 -6.046 -6.757 -7.543 1.00 0.00 C ATOM 341 C ARG A 24 -4.560 -6.878 -7.913 1.00 0.00 C ATOM 342 O ARG A 24 -4.190 -7.748 -8.705 1.00 0.00 O ATOM 343 CB ARG A 24 -6.799 -6.011 -8.665 1.00 0.00 C ATOM 344 CG ARG A 24 -8.229 -5.561 -8.324 1.00 0.00 C ATOM 345 CD ARG A 24 -9.113 -6.656 -7.736 1.00 0.00 C ATOM 346 NE ARG A 24 -10.411 -6.101 -7.301 1.00 0.00 N ATOM 347 CZ ARG A 24 -11.544 -6.733 -7.081 1.00 0.00 C ATOM 348 NH1 ARG A 24 -11.701 -8.002 -7.323 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -12.561 -6.088 -6.584 1.00 0.00 N ATOM 0 H ARG A 24 -6.509 -5.097 -6.332 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.428 -7.772 -7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.218 -5.132 -8.945 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.841 -6.658 -9.541 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.177 -4.734 -7.616 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.701 -5.177 -9.228 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.276 -7.437 -8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.609 -7.122 -6.889 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.432 -5.092 -7.151 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.927 -8.549 -7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.598 -8.450 -7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.478 -5.095 -6.366 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.440 -6.576 -6.413 1.00 0.00 H new ATOM 363 N LEU A 25 -3.726 -6.014 -7.336 1.00 0.00 N ATOM 364 CA LEU A 25 -2.270 -5.984 -7.530 1.00 0.00 C ATOM 365 C LEU A 25 -1.564 -7.181 -6.852 1.00 0.00 C ATOM 366 O LEU A 25 -1.955 -7.622 -5.770 1.00 0.00 O ATOM 367 CB LEU A 25 -1.679 -4.641 -7.042 1.00 0.00 C ATOM 368 CG LEU A 25 -1.911 -3.389 -7.919 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.592 -3.600 -9.404 1.00 0.00 C ATOM 370 CD2 LEU A 25 -3.329 -2.846 -7.846 1.00 0.00 C ATOM 0 H LEU A 25 -4.053 -5.289 -6.698 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.086 -6.073 -8.601 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.086 -4.436 -6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.603 -4.772 -6.923 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.212 -2.671 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.780 -2.676 -9.951 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.545 -3.880 -9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.224 -4.393 -9.803 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.416 -1.968 -8.487 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.029 -3.611 -8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.560 -2.569 -6.817 1.00 0.00 H new ATOM 382 N SER A 26 -0.505 -7.686 -7.496 1.00 0.00 N ATOM 383 CA SER A 26 0.380 -8.732 -6.963 1.00 0.00 C ATOM 384 C SER A 26 1.281 -8.206 -5.832 1.00 0.00 C ATOM 385 O SER A 26 1.426 -6.992 -5.653 1.00 0.00 O ATOM 386 CB SER A 26 1.208 -9.329 -8.107 1.00 0.00 C ATOM 387 OG SER A 26 1.919 -10.480 -7.669 1.00 0.00 O ATOM 0 H SER A 26 -0.232 -7.371 -8.427 1.00 0.00 H new ATOM 0 HA SER A 26 -0.237 -9.515 -6.522 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.552 -9.595 -8.936 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.909 -8.584 -8.482 1.00 0.00 H new ATOM 0 HG SER A 26 2.439 -10.846 -8.414 1.00 0.00 H new ATOM 393 N LYS A 27 1.918 -9.110 -5.070 1.00 0.00 N ATOM 394 CA LYS A 27 2.728 -8.799 -3.871 1.00 0.00 C ATOM 395 C LYS A 27 3.876 -7.817 -4.147 1.00 0.00 C ATOM 396 O LYS A 27 4.177 -6.982 -3.300 1.00 0.00 O ATOM 397 CB LYS A 27 3.239 -10.122 -3.259 1.00 0.00 C ATOM 398 CG LYS A 27 3.640 -10.015 -1.775 1.00 0.00 C ATOM 399 CD LYS A 27 2.428 -9.980 -0.827 1.00 0.00 C ATOM 400 CE LYS A 27 2.895 -9.854 0.628 1.00 0.00 C ATOM 401 NZ LYS A 27 1.760 -9.902 1.585 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.885 -10.109 -5.274 1.00 0.00 H new ATOM 0 HA LYS A 27 2.088 -8.284 -3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.463 -10.881 -3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.099 -10.467 -3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.275 -10.862 -1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.235 -9.114 -1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.782 -9.140 -1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.836 -10.887 -0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.594 -10.659 0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.436 -8.916 0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.012 -9.382 2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.921 -9.466 1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.550 -10.892 1.826 1.00 0.00 H new ATOM 415 N ASN A 28 4.483 -7.881 -5.333 1.00 0.00 N ATOM 416 CA ASN A 28 5.539 -6.952 -5.775 1.00 0.00 C ATOM 417 C ASN A 28 5.005 -5.625 -6.360 1.00 0.00 C ATOM 418 O ASN A 28 5.733 -4.634 -6.412 1.00 0.00 O ATOM 419 CB ASN A 28 6.448 -7.689 -6.776 1.00 0.00 C ATOM 420 CG ASN A 28 5.782 -7.948 -8.124 1.00 0.00 C ATOM 421 OD1 ASN A 28 4.669 -8.454 -8.213 1.00 0.00 O ATOM 422 ND2 ASN A 28 6.414 -7.576 -9.215 1.00 0.00 N ATOM 0 H ASN A 28 4.255 -8.590 -6.030 1.00 0.00 H new ATOM 0 HA ASN A 28 6.108 -6.650 -4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.353 -7.102 -6.933 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.756 -8.641 -6.343 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.978 -7.709 -10.127 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.340 -7.154 -9.149 1.00 0.00 H new ATOM 429 N GLN A 29 3.746 -5.583 -6.801 1.00 0.00 N ATOM 430 CA GLN A 29 3.101 -4.390 -7.375 1.00 0.00 C ATOM 431 C GLN A 29 2.495 -3.481 -6.288 1.00 0.00 C ATOM 432 O GLN A 29 2.691 -2.262 -6.326 1.00 0.00 O ATOM 433 CB GLN A 29 2.025 -4.822 -8.384 1.00 0.00 C ATOM 434 CG GLN A 29 2.596 -5.542 -9.623 1.00 0.00 C ATOM 435 CD GLN A 29 1.510 -6.170 -10.498 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.443 -6.572 -10.047 1.00 0.00 O ATOM 437 NE2 GLN A 29 1.749 -6.304 -11.786 1.00 0.00 N ATOM 0 H GLN A 29 3.128 -6.394 -6.770 1.00 0.00 H new ATOM 0 HA GLN A 29 3.865 -3.805 -7.887 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.315 -5.482 -7.885 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.469 -3.943 -8.709 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.169 -4.831 -10.218 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.289 -6.319 -9.299 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.631 -5.975 -12.178 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.052 -6.737 -12.392 1.00 0.00 H new ATOM 446 N LEU A 30 1.827 -4.062 -5.284 1.00 0.00 N ATOM 447 CA LEU A 30 1.362 -3.324 -4.094 1.00 0.00 C ATOM 448 C LEU A 30 2.523 -2.683 -3.303 1.00 0.00 C ATOM 449 O LEU A 30 2.347 -1.615 -2.718 1.00 0.00 O ATOM 450 CB LEU A 30 0.464 -4.234 -3.225 1.00 0.00 C ATOM 451 CG LEU A 30 1.125 -5.474 -2.583 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.774 -5.213 -1.213 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.056 -6.551 -2.385 1.00 0.00 C ATOM 0 H LEU A 30 1.592 -5.054 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 30 0.755 -2.483 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.040 -3.626 -2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.367 -4.576 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 30 1.920 -5.777 -3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.213 -6.137 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.553 -4.457 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.017 -4.860 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.508 -7.433 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.728 -6.169 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.374 -6.818 -3.350 1.00 0.00 H new ATOM 465 N MET A 31 3.723 -3.275 -3.357 1.00 0.00 N ATOM 466 CA MET A 31 4.952 -2.679 -2.822 1.00 0.00 C ATOM 467 C MET A 31 5.327 -1.375 -3.526 1.00 0.00 C ATOM 468 O MET A 31 5.540 -0.363 -2.861 1.00 0.00 O ATOM 469 CB MET A 31 6.120 -3.660 -2.955 1.00 0.00 C ATOM 470 CG MET A 31 6.140 -4.726 -1.868 1.00 0.00 C ATOM 471 SD MET A 31 7.395 -5.989 -2.180 1.00 0.00 S ATOM 472 CE MET A 31 6.901 -7.177 -0.911 1.00 0.00 C ATOM 0 H MET A 31 3.868 -4.192 -3.779 1.00 0.00 H new ATOM 0 HA MET A 31 4.756 -2.456 -1.773 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.068 -4.146 -3.929 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.057 -3.104 -2.926 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.331 -4.256 -0.903 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.159 -5.197 -1.805 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.565 -8.041 -0.943 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.963 -6.708 0.071 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.876 -7.500 -1.094 1.00 0.00 H new ATOM 482 N ALA A 32 5.370 -1.377 -4.862 1.00 0.00 N ATOM 483 CA ALA A 32 5.696 -0.182 -5.646 1.00 0.00 C ATOM 484 C ALA A 32 4.672 0.950 -5.432 1.00 0.00 C ATOM 485 O ALA A 32 5.060 2.111 -5.308 1.00 0.00 O ATOM 486 CB ALA A 32 5.801 -0.580 -7.123 1.00 0.00 C ATOM 0 H ALA A 32 5.181 -2.204 -5.428 1.00 0.00 H new ATOM 0 HA ALA A 32 6.653 0.216 -5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.043 0.299 -7.720 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.585 -1.328 -7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.850 -0.994 -7.457 1.00 0.00 H new ATOM 492 N LEU A 33 3.381 0.615 -5.322 1.00 0.00 N ATOM 493 CA LEU A 33 2.292 1.553 -5.018 1.00 0.00 C ATOM 494 C LEU A 33 2.501 2.231 -3.651 1.00 0.00 C ATOM 495 O LEU A 33 2.553 3.457 -3.571 1.00 0.00 O ATOM 496 CB LEU A 33 0.949 0.784 -5.131 1.00 0.00 C ATOM 497 CG LEU A 33 -0.373 1.558 -4.928 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.663 1.923 -3.472 1.00 0.00 C ATOM 499 CD2 LEU A 33 -0.451 2.816 -5.795 1.00 0.00 C ATOM 0 H LEU A 33 3.055 -0.344 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 33 2.278 2.373 -5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.914 0.325 -6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.971 -0.027 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.144 0.856 -5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.607 2.464 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.728 1.013 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.140 2.552 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.399 3.324 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.372 3.484 -5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.382 2.538 -6.847 1.00 0.00 H new ATOM 511 N ALA A 34 2.666 1.441 -2.583 1.00 0.00 N ATOM 512 CA ALA A 34 2.844 1.962 -1.226 1.00 0.00 C ATOM 513 C ALA A 34 4.173 2.736 -1.049 1.00 0.00 C ATOM 514 O ALA A 34 4.194 3.782 -0.401 1.00 0.00 O ATOM 515 CB ALA A 34 2.737 0.792 -0.246 1.00 0.00 C ATOM 0 H ALA A 34 2.680 0.423 -2.637 1.00 0.00 H new ATOM 0 HA ALA A 34 2.060 2.692 -1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.867 1.158 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.757 0.325 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.511 0.058 -0.470 1.00 0.00 H new ATOM 521 N LEU A 35 5.271 2.272 -1.661 1.00 0.00 N ATOM 522 CA LEU A 35 6.572 2.953 -1.638 1.00 0.00 C ATOM 523 C LEU A 35 6.517 4.308 -2.369 1.00 0.00 C ATOM 524 O LEU A 35 7.001 5.313 -1.836 1.00 0.00 O ATOM 525 CB LEU A 35 7.628 1.982 -2.207 1.00 0.00 C ATOM 526 CG LEU A 35 9.119 2.381 -2.129 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.539 3.444 -3.147 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.519 2.840 -0.726 1.00 0.00 C ATOM 0 H LEU A 35 5.280 1.402 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 35 6.854 3.207 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.513 1.029 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.386 1.808 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 35 9.653 1.464 -2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.599 3.666 -3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.360 3.072 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.957 4.352 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.575 3.110 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.921 3.706 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.347 2.031 -0.016 1.00 0.00 H new ATOM 540 N LYS A 36 5.865 4.370 -3.542 1.00 0.00 N ATOM 541 CA LYS A 36 5.626 5.614 -4.305 1.00 0.00 C ATOM 542 C LYS A 36 4.835 6.639 -3.479 1.00 0.00 C ATOM 543 O LYS A 36 5.242 7.796 -3.389 1.00 0.00 O ATOM 544 CB LYS A 36 4.938 5.256 -5.635 1.00 0.00 C ATOM 545 CG LYS A 36 4.640 6.485 -6.503 1.00 0.00 C ATOM 546 CD LYS A 36 4.187 6.127 -7.920 1.00 0.00 C ATOM 547 CE LYS A 36 2.881 5.318 -7.930 1.00 0.00 C ATOM 548 NZ LYS A 36 2.447 5.009 -9.316 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.480 3.543 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 36 6.577 6.097 -4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.573 4.569 -6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.006 4.730 -5.426 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.866 7.083 -6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.534 7.107 -6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.049 7.042 -8.497 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.971 5.553 -8.415 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.021 4.390 -7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.099 5.880 -7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.563 4.462 -9.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.290 5.896 -9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.184 4.452 -9.795 1.00 0.00 H new ATOM 562 N LEU A 37 3.766 6.205 -2.809 1.00 0.00 N ATOM 563 CA LEU A 37 3.000 7.039 -1.873 1.00 0.00 C ATOM 564 C LEU A 37 3.867 7.528 -0.697 1.00 0.00 C ATOM 565 O LEU A 37 3.766 8.699 -0.326 1.00 0.00 O ATOM 566 CB LEU A 37 1.806 6.226 -1.338 1.00 0.00 C ATOM 567 CG LEU A 37 0.457 6.478 -2.035 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.476 6.282 -3.551 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.566 5.523 -1.425 1.00 0.00 C ATOM 0 H LEU A 37 3.402 5.256 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 37 2.650 7.921 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.045 5.166 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.691 6.442 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 37 0.207 7.527 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.516 6.481 -3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.195 6.969 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.763 5.256 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.535 5.677 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.244 4.494 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.651 5.715 -0.355 1.00 0.00 H new ATOM 581 N LYS A 38 4.727 6.671 -0.133 1.00 0.00 N ATOM 582 CA LYS A 38 5.564 7.021 1.028 1.00 0.00 C ATOM 583 C LYS A 38 6.630 8.059 0.682 1.00 0.00 C ATOM 584 O LYS A 38 6.747 9.061 1.390 1.00 0.00 O ATOM 585 CB LYS A 38 6.169 5.750 1.665 1.00 0.00 C ATOM 586 CG LYS A 38 6.837 6.006 3.031 1.00 0.00 C ATOM 587 CD LYS A 38 5.851 6.515 4.100 1.00 0.00 C ATOM 588 CE LYS A 38 6.533 6.682 5.460 1.00 0.00 C ATOM 589 NZ LYS A 38 5.652 7.393 6.423 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.864 5.717 -0.466 1.00 0.00 H new ATOM 0 HA LYS A 38 4.920 7.491 1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.383 5.005 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.906 5.326 0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.299 5.083 3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.637 6.736 2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.431 7.469 3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.020 5.816 4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.796 5.703 5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.463 7.237 5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.236 7.888 7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.066 8.084 5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.037 6.706 6.904 1.00 0.00 H new ATOM 603 N GLN A 39 7.362 7.900 -0.428 1.00 0.00 N ATOM 604 CA GLN A 39 8.371 8.888 -0.839 1.00 0.00 C ATOM 605 C GLN A 39 7.750 10.257 -1.175 1.00 0.00 C ATOM 606 O GLN A 39 8.339 11.292 -0.870 1.00 0.00 O ATOM 607 CB GLN A 39 9.261 8.339 -1.969 1.00 0.00 C ATOM 608 CG GLN A 39 8.573 8.172 -3.332 1.00 0.00 C ATOM 609 CD GLN A 39 9.532 7.789 -4.462 1.00 0.00 C ATOM 610 OE1 GLN A 39 9.584 8.421 -5.512 1.00 0.00 O ATOM 611 NE2 GLN A 39 10.346 6.762 -4.301 1.00 0.00 N ATOM 0 H GLN A 39 7.276 7.101 -1.056 1.00 0.00 H new ATOM 0 HA GLN A 39 9.022 9.066 0.017 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.114 9.006 -2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.655 7.371 -1.660 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.801 7.408 -3.248 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.072 9.104 -3.593 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.321 6.222 -3.436 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.000 6.509 -5.041 1.00 0.00 H new ATOM 620 N GLN A 40 6.529 10.279 -1.723 1.00 0.00 N ATOM 621 CA GLN A 40 5.784 11.511 -2.029 1.00 0.00 C ATOM 622 C GLN A 40 5.473 12.336 -0.770 1.00 0.00 C ATOM 623 O GLN A 40 5.705 13.549 -0.765 1.00 0.00 O ATOM 624 CB GLN A 40 4.491 11.155 -2.778 1.00 0.00 C ATOM 625 CG GLN A 40 4.743 10.852 -4.264 1.00 0.00 C ATOM 626 CD GLN A 40 3.572 10.139 -4.950 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.557 9.785 -4.361 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.665 9.916 -6.242 1.00 0.00 N ATOM 0 H GLN A 40 6.021 9.430 -1.971 1.00 0.00 H new ATOM 0 HA GLN A 40 6.415 12.135 -2.662 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.027 10.289 -2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.785 11.981 -2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.946 11.786 -4.788 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.637 10.235 -4.354 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.502 10.203 -6.750 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.901 9.456 -6.736 1.00 0.00 H new ATOM 637 N GLN A 41 4.985 11.703 0.308 1.00 0.00 N ATOM 638 CA GLN A 41 4.730 12.400 1.583 1.00 0.00 C ATOM 639 C GLN A 41 6.019 12.781 2.341 1.00 0.00 C ATOM 640 O GLN A 41 6.045 13.806 3.026 1.00 0.00 O ATOM 641 CB GLN A 41 3.750 11.600 2.462 1.00 0.00 C ATOM 642 CG GLN A 41 4.223 10.218 2.936 1.00 0.00 C ATOM 643 CD GLN A 41 3.433 9.689 4.129 1.00 0.00 C ATOM 644 OE1 GLN A 41 3.993 9.337 5.160 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.119 9.624 4.056 1.00 0.00 N ATOM 0 H GLN A 41 4.758 10.709 0.324 1.00 0.00 H new ATOM 0 HA GLN A 41 4.256 13.349 1.331 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.514 12.199 3.341 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.822 11.470 1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.140 9.510 2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.278 10.274 3.203 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.641 9.914 3.203 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.580 9.284 4.852 1.00 0.00 H new ATOM 901 N LYS B 115 14.432 2.147 1.010 1.00 0.00 N ATOM 902 CA LYS B 115 13.352 1.487 0.261 1.00 0.00 C ATOM 903 C LYS B 115 13.449 -0.040 0.259 1.00 0.00 C ATOM 904 O LYS B 115 12.421 -0.706 0.276 1.00 0.00 O ATOM 905 CB LYS B 115 13.308 2.047 -1.167 1.00 0.00 C ATOM 906 CG LYS B 115 14.561 1.744 -2.007 1.00 0.00 C ATOM 907 CD LYS B 115 14.539 2.405 -3.389 1.00 0.00 C ATOM 908 CE LYS B 115 14.637 3.934 -3.298 1.00 0.00 C ATOM 909 NZ LYS B 115 14.763 4.541 -4.648 1.00 0.00 N1+ ATOM 0 HA LYS B 115 12.417 1.711 0.775 1.00 0.00 H new ATOM 0 HB2 LYS B 115 12.436 1.639 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS B 115 13.172 3.127 -1.117 1.00 0.00 H new ATOM 0 HG2 LYS B 115 15.444 2.082 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.656 0.665 -2.130 1.00 0.00 H new ATOM 0 HD2 LYS B 115 15.367 2.024 -3.986 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.620 2.131 -3.907 1.00 0.00 H new ATOM 0 HE2 LYS B 115 13.752 4.330 -2.799 1.00 0.00 H new ATOM 0 HE3 LYS B 115 15.497 4.211 -2.689 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 14.828 5.575 -4.559 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 15.620 4.179 -5.113 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.929 4.294 -5.219 1.00 0.00 H new ATOM 923 N ASP B 116 14.658 -0.600 0.309 1.00 0.00 N ATOM 924 CA ASP B 116 14.871 -2.051 0.395 1.00 0.00 C ATOM 925 C ASP B 116 14.380 -2.598 1.749 1.00 0.00 C ATOM 926 O ASP B 116 13.783 -3.674 1.825 1.00 0.00 O ATOM 927 CB ASP B 116 16.365 -2.350 0.186 1.00 0.00 C ATOM 928 CG ASP B 116 16.698 -3.846 0.026 1.00 0.00 C ATOM 929 OD1 ASP B 116 17.851 -4.240 0.321 1.00 0.00 O ATOM 930 OD2 ASP B 116 15.840 -4.637 -0.436 1.00 0.00 O1- ATOM 0 H ASP B 116 15.523 -0.060 0.291 1.00 0.00 H new ATOM 0 HA ASP B 116 14.293 -2.549 -0.383 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.709 -1.817 -0.700 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.924 -1.954 1.034 1.00 0.00 H new ATOM 935 N ASP B 117 14.561 -1.820 2.819 1.00 0.00 N ATOM 936 CA ASP B 117 14.041 -2.138 4.157 1.00 0.00 C ATOM 937 C ASP B 117 12.516 -1.927 4.232 1.00 0.00 C ATOM 938 O ASP B 117 11.814 -2.693 4.898 1.00 0.00 O ATOM 939 CB ASP B 117 14.763 -1.302 5.232 1.00 0.00 C ATOM 940 CG ASP B 117 16.278 -1.540 5.328 1.00 0.00 C ATOM 941 OD1 ASP B 117 16.974 -0.650 5.872 1.00 0.00 O ATOM 942 OD2 ASP B 117 16.787 -2.613 4.921 1.00 0.00 O1- ATOM 0 H ASP B 117 15.078 -0.941 2.783 1.00 0.00 H new ATOM 0 HA ASP B 117 14.238 -3.193 4.350 1.00 0.00 H new ATOM 0 HB2 ASP B 117 14.588 -0.246 5.028 1.00 0.00 H new ATOM 0 HB3 ASP B 117 14.314 -1.518 6.201 1.00 0.00 H new ATOM 947 N TYR B 118 11.980 -0.929 3.521 1.00 0.00 N ATOM 948 CA TYR B 118 10.537 -0.679 3.444 1.00 0.00 C ATOM 949 C TYR B 118 9.811 -1.819 2.701 1.00 0.00 C ATOM 950 O TYR B 118 8.838 -2.368 3.211 1.00 0.00 O ATOM 951 CB TYR B 118 10.283 0.700 2.807 1.00 0.00 C ATOM 952 CG TYR B 118 8.997 1.350 3.274 1.00 0.00 C ATOM 953 CD1 TYR B 118 8.973 2.002 4.522 1.00 0.00 C ATOM 954 CD2 TYR B 118 7.828 1.289 2.492 1.00 0.00 C ATOM 955 CE1 TYR B 118 7.782 2.585 4.999 1.00 0.00 C ATOM 956 CE2 TYR B 118 6.633 1.869 2.966 1.00 0.00 C ATOM 957 CZ TYR B 118 6.606 2.513 4.221 1.00 0.00 C ATOM 958 OH TYR B 118 5.448 3.027 4.713 1.00 0.00 O ATOM 0 H TYR B 118 12.538 -0.269 2.980 1.00 0.00 H new ATOM 0 HA TYR B 118 10.121 -0.662 4.451 1.00 0.00 H new ATOM 0 HB2 TYR B 118 11.120 1.359 3.039 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.254 0.591 1.723 1.00 0.00 H new ATOM 0 HD1 TYR B 118 9.873 2.056 5.117 1.00 0.00 H new ATOM 0 HD2 TYR B 118 7.846 0.799 1.530 1.00 0.00 H new ATOM 0 HE1 TYR B 118 7.769 3.085 5.956 1.00 0.00 H new ATOM 0 HE2 TYR B 118 5.736 1.820 2.367 1.00 0.00 H new ATOM 0 HH TYR B 118 4.730 2.901 4.058 1.00 0.00 H new ATOM 968 N LEU B 119 10.333 -2.279 1.557 1.00 0.00 N ATOM 969 CA LEU B 119 9.819 -3.458 0.841 1.00 0.00 C ATOM 970 C LEU B 119 9.938 -4.747 1.681 1.00 0.00 C ATOM 971 O LEU B 119 9.028 -5.580 1.662 1.00 0.00 O ATOM 972 CB LEU B 119 10.552 -3.584 -0.505 1.00 0.00 C ATOM 973 CG LEU B 119 9.804 -2.892 -1.659 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.534 -1.395 -1.475 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.566 -3.066 -2.971 1.00 0.00 C ATOM 0 H LEU B 119 11.131 -1.841 1.097 1.00 0.00 H new ATOM 0 HA LEU B 119 8.753 -3.321 0.658 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.548 -3.151 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.684 -4.639 -0.744 1.00 0.00 H new ATOM 0 HG LEU B 119 8.834 -3.388 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU B 119 9.003 -1.011 -2.346 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.926 -1.242 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.480 -0.865 -1.365 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.023 -2.571 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.558 -2.624 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU B 119 10.662 -4.128 -3.198 1.00 0.00 H new ATOM 987 N SER B 120 11.005 -4.883 2.474 1.00 0.00 N ATOM 988 CA SER B 120 11.205 -6.006 3.402 1.00 0.00 C ATOM 989 C SER B 120 10.177 -6.045 4.548 1.00 0.00 C ATOM 990 O SER B 120 9.832 -7.134 5.019 1.00 0.00 O ATOM 991 CB SER B 120 12.641 -5.953 3.938 1.00 0.00 C ATOM 992 OG SER B 120 12.939 -7.063 4.765 1.00 0.00 O ATOM 0 H SER B 120 11.768 -4.206 2.491 1.00 0.00 H new ATOM 0 HA SER B 120 11.046 -6.931 2.848 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.340 -5.926 3.102 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.784 -5.032 4.502 1.00 0.00 H new ATOM 0 HG SER B 120 13.863 -6.994 5.085 1.00 0.00 H new ATOM 998 N ARG B 121 9.631 -4.891 4.980 1.00 0.00 N ATOM 999 CA ARG B 121 8.515 -4.822 5.950 1.00 0.00 C ATOM 1000 C ARG B 121 7.148 -5.032 5.277 1.00 0.00 C ATOM 1001 O ARG B 121 6.295 -5.722 5.830 1.00 0.00 O ATOM 1002 CB ARG B 121 8.605 -3.537 6.814 1.00 0.00 C ATOM 1003 CG ARG B 121 7.633 -2.408 6.430 1.00 0.00 C ATOM 1004 CD ARG B 121 7.842 -1.109 7.219 1.00 0.00 C ATOM 1005 NE ARG B 121 6.851 -0.087 6.812 1.00 0.00 N ATOM 1006 CZ ARG B 121 5.647 0.100 7.326 1.00 0.00 C ATOM 1007 NH1 ARG B 121 5.208 -0.591 8.342 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 4.838 0.989 6.825 1.00 0.00 N ATOM 0 H ARG B 121 9.952 -3.975 4.666 1.00 0.00 H new ATOM 0 HA ARG B 121 8.614 -5.657 6.643 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.427 -3.807 7.855 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.623 -3.152 6.755 1.00 0.00 H new ATOM 0 HG2 ARG B 121 7.741 -2.196 5.366 1.00 0.00 H new ATOM 0 HG3 ARG B 121 6.611 -2.754 6.584 1.00 0.00 H new ATOM 0 HD2 ARG B 121 7.751 -1.307 8.287 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.851 -0.733 7.050 1.00 0.00 H new ATOM 0 HE ARG B 121 7.126 0.539 6.055 1.00 0.00 H new ATOM 0 HH11 ARG B 121 5.800 -1.304 8.768 1.00 0.00 H new ATOM 0 HH12 ARG B 121 4.273 -0.418 8.711 1.00 0.00 H new ATOM 0 HH21 ARG B 121 5.130 1.552 6.026 1.00 0.00 H new ATOM 0 HH22 ARG B 121 3.912 1.123 7.232 1.00 0.00 H new ATOM 1022 N LEU B 122 6.929 -4.460 4.087 1.00 0.00 N ATOM 1023 CA LEU B 122 5.640 -4.475 3.383 1.00 0.00 C ATOM 1024 C LEU B 122 5.177 -5.889 2.985 1.00 0.00 C ATOM 1025 O LEU B 122 3.977 -6.156 2.980 1.00 0.00 O ATOM 1026 CB LEU B 122 5.724 -3.548 2.154 1.00 0.00 C ATOM 1027 CG LEU B 122 5.107 -2.148 2.348 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.554 -1.385 3.596 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.459 -1.280 1.141 1.00 0.00 C ATOM 0 H LEU B 122 7.658 -3.963 3.575 1.00 0.00 H new ATOM 0 HA LEU B 122 4.882 -4.107 4.075 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.772 -3.431 1.877 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.225 -4.035 1.316 1.00 0.00 H new ATOM 0 HG LEU B 122 4.039 -2.332 2.464 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.056 -0.416 3.628 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.291 -1.957 4.486 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.634 -1.238 3.565 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.027 -0.287 1.268 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.543 -1.196 1.057 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.059 -1.736 0.236 1.00 0.00 H new ATOM 1041 N SER B 123 6.102 -6.815 2.717 1.00 0.00 N ATOM 1042 CA SER B 123 5.805 -8.236 2.476 1.00 0.00 C ATOM 1043 C SER B 123 5.110 -8.930 3.666 1.00 0.00 C ATOM 1044 O SER B 123 4.335 -9.869 3.458 1.00 0.00 O ATOM 1045 CB SER B 123 7.096 -9.000 2.140 1.00 0.00 C ATOM 1046 OG SER B 123 7.980 -9.037 3.247 1.00 0.00 O ATOM 0 H SER B 123 7.097 -6.598 2.660 1.00 0.00 H new ATOM 0 HA SER B 123 5.111 -8.258 1.635 1.00 0.00 H new ATOM 0 HB2 SER B 123 6.849 -10.017 1.836 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.591 -8.525 1.293 1.00 0.00 H new ATOM 0 HG SER B 123 8.790 -9.531 3.002 1.00 0.00 H new ATOM 1052 N ARG B 124 5.357 -8.478 4.908 1.00 0.00 N ATOM 1053 CA ARG B 124 4.922 -9.148 6.148 1.00 0.00 C ATOM 1054 C ARG B 124 3.443 -8.934 6.490 1.00 0.00 C ATOM 1055 O ARG B 124 2.870 -9.735 7.230 1.00 0.00 O ATOM 1056 CB ARG B 124 5.805 -8.694 7.330 1.00 0.00 C ATOM 1057 CG ARG B 124 7.325 -8.816 7.099 1.00 0.00 C ATOM 1058 CD ARG B 124 7.797 -10.171 6.551 1.00 0.00 C ATOM 1059 NE ARG B 124 7.405 -11.297 7.422 1.00 0.00 N ATOM 1060 CZ ARG B 124 7.286 -12.563 7.069 1.00 0.00 C ATOM 1061 NH1 ARG B 124 7.526 -12.980 5.858 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 6.921 -13.448 7.948 1.00 0.00 N ATOM 0 H ARG B 124 5.876 -7.618 5.082 1.00 0.00 H new ATOM 0 HA ARG B 124 5.040 -10.217 5.970 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.571 -7.654 7.559 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.539 -9.282 8.208 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.635 -8.034 6.406 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.836 -8.626 8.043 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.380 -10.323 5.556 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.882 -10.159 6.443 1.00 0.00 H new ATOM 0 HE ARG B 124 7.206 -11.073 8.397 1.00 0.00 H new ATOM 0 HH11 ARG B 124 7.819 -12.318 5.139 1.00 0.00 H new ATOM 0 HH12 ARG B 124 7.421 -13.968 5.629 1.00 0.00 H new ATOM 0 HH21 ARG B 124 6.727 -13.163 8.908 1.00 0.00 H new ATOM 0 HH22 ARG B 124 6.828 -14.427 7.678 1.00 0.00 H new ATOM 1076 N LEU B 125 2.819 -7.869 5.974 1.00 0.00 N ATOM 1077 CA LEU B 125 1.407 -7.557 6.216 1.00 0.00 C ATOM 1078 C LEU B 125 0.458 -8.532 5.498 1.00 0.00 C ATOM 1079 O LEU B 125 0.705 -8.957 4.366 1.00 0.00 O ATOM 1080 CB LEU B 125 1.083 -6.105 5.811 1.00 0.00 C ATOM 1081 CG LEU B 125 1.651 -4.959 6.675 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.616 -5.225 8.180 1.00 0.00 C ATOM 1083 CD2 LEU B 125 3.074 -4.576 6.282 1.00 0.00 C ATOM 0 H LEU B 125 3.286 -7.192 5.370 1.00 0.00 H new ATOM 0 HA LEU B 125 1.244 -7.671 7.288 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.436 -5.958 4.790 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.002 -6.000 5.791 1.00 0.00 H new ATOM 0 HG LEU B 125 0.975 -4.130 6.467 1.00 0.00 H new ATOM 0 HD11 LEU B 125 2.034 -4.369 8.711 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.585 -5.381 8.498 1.00 0.00 H new ATOM 0 HD13 LEU B 125 2.204 -6.114 8.406 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.423 -3.766 6.922 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.729 -5.439 6.400 1.00 0.00 H new ATOM 0 HD23 LEU B 125 3.089 -4.249 5.242 1.00 0.00 H new ATOM 1095 N SER B 126 -0.667 -8.835 6.156 1.00 0.00 N ATOM 1096 CA SER B 126 -1.833 -9.512 5.566 1.00 0.00 C ATOM 1097 C SER B 126 -2.559 -8.628 4.530 1.00 0.00 C ATOM 1098 O SER B 126 -2.334 -7.418 4.465 1.00 0.00 O ATOM 1099 CB SER B 126 -2.776 -9.953 6.696 1.00 0.00 C ATOM 1100 OG SER B 126 -3.869 -10.705 6.194 1.00 0.00 O ATOM 0 H SER B 126 -0.797 -8.610 7.142 1.00 0.00 H new ATOM 0 HA SER B 126 -1.489 -10.390 5.019 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.223 -10.551 7.421 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.148 -9.075 7.225 1.00 0.00 H new ATOM 0 HG SER B 126 -4.450 -10.973 6.936 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.448 -9.219 3.719 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.147 -8.556 2.599 1.00 0.00 C ATOM 1108 C LYS B 127 -4.969 -7.335 3.033 1.00 0.00 C ATOM 1109 O LYS B 127 -4.962 -6.315 2.348 1.00 0.00 O ATOM 1110 CB LYS B 127 -5.022 -9.600 1.872 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.405 -9.185 0.442 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.238 -9.363 -0.544 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.531 -8.777 -1.931 1.00 0.00 C ATOM 1114 NZ LYS B 127 -5.655 -9.460 -2.618 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.711 -10.199 3.824 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.394 -8.162 1.917 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.488 -10.549 1.836 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.931 -9.767 2.450 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.255 -9.780 0.108 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -5.725 -8.143 0.441 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.348 -8.886 -0.135 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -4.013 -10.425 -0.644 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -4.763 -7.717 -1.831 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -3.635 -8.851 -2.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -5.853 -8.981 -3.520 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -5.399 -10.451 -2.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -6.502 -9.427 -2.015 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.641 -7.404 4.183 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.350 -6.260 4.775 1.00 0.00 C ATOM 1130 C ASN B 128 -5.390 -5.198 5.344 1.00 0.00 C ATOM 1131 O ASN B 128 -5.606 -3.997 5.177 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.297 -6.801 5.862 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.161 -5.702 6.466 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -8.876 -4.987 5.779 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -8.126 -5.527 7.770 1.00 0.00 N ATOM 0 H ASN B 128 -5.711 -8.258 4.736 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.918 -5.751 3.996 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -7.938 -7.571 5.433 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -6.711 -7.275 6.649 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -8.694 -4.798 8.202 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -7.531 -6.120 8.348 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.306 -5.631 5.998 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.331 -4.764 6.671 1.00 0.00 C ATOM 1144 C GLN B 129 -2.518 -3.911 5.681 1.00 0.00 C ATOM 1145 O GLN B 129 -2.340 -2.713 5.913 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.389 -5.619 7.530 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.085 -6.338 8.696 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.173 -7.334 9.415 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.183 -7.833 8.888 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.481 -7.700 10.640 1.00 0.00 N ATOM 0 H GLN B 129 -4.076 -6.622 6.076 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.888 -4.072 7.303 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -1.908 -6.362 6.894 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.600 -4.982 7.929 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.440 -5.597 9.412 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -3.962 -6.864 8.319 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.298 -7.301 11.101 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -1.902 -8.383 11.129 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.070 -4.482 4.554 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.355 -3.741 3.505 1.00 0.00 C ATOM 1161 C LEU B 130 -2.238 -2.683 2.823 1.00 0.00 C ATOM 1162 O LEU B 130 -1.728 -1.649 2.387 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.696 -4.715 2.504 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.636 -5.581 1.639 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.133 -4.897 0.362 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.908 -6.858 1.228 1.00 0.00 C ATOM 0 H LEU B 130 -2.193 -5.472 4.344 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.554 -3.177 3.983 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.062 -4.134 1.835 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.041 -5.383 3.064 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.509 -5.777 2.261 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.787 -5.577 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.685 -3.995 0.624 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.281 -4.632 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.569 -7.473 0.617 1.00 0.00 H new ATOM 0 HD22 LEU B 130 -0.018 -6.601 0.654 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.617 -7.414 2.119 1.00 0.00 H new ATOM 1178 N MET B 131 -3.557 -2.904 2.755 1.00 0.00 N ATOM 1179 CA MET B 131 -4.499 -1.914 2.228 1.00 0.00 C ATOM 1180 C MET B 131 -4.804 -0.812 3.242 1.00 0.00 C ATOM 1181 O MET B 131 -4.854 0.357 2.856 1.00 0.00 O ATOM 1182 CB MET B 131 -5.781 -2.587 1.733 1.00 0.00 C ATOM 1183 CG MET B 131 -5.494 -3.399 0.468 1.00 0.00 C ATOM 1184 SD MET B 131 -6.959 -3.921 -0.453 1.00 0.00 S ATOM 1185 CE MET B 131 -7.455 -5.357 0.520 1.00 0.00 C ATOM 0 H MET B 131 -3.998 -3.771 3.063 1.00 0.00 H new ATOM 0 HA MET B 131 -4.019 -1.433 1.376 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.182 -3.238 2.509 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.540 -1.833 1.526 1.00 0.00 H new ATOM 0 HG2 MET B 131 -4.861 -2.805 -0.191 1.00 0.00 H new ATOM 0 HG3 MET B 131 -4.923 -4.285 0.745 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.540 -5.458 0.493 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.997 -6.254 0.104 1.00 0.00 H new ATOM 0 HE3 MET B 131 -7.128 -5.228 1.552 1.00 0.00 H new ATOM 1195 N ALA B 132 -4.925 -1.136 4.535 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.037 -0.134 5.597 1.00 0.00 C ATOM 1197 C ALA B 132 -3.789 0.776 5.649 1.00 0.00 C ATOM 1198 O ALA B 132 -3.919 1.997 5.762 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.284 -0.866 6.922 1.00 0.00 C ATOM 0 H ALA B 132 -4.948 -2.098 4.872 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.877 0.531 5.397 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.371 -0.138 7.729 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.206 -1.443 6.853 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.451 -1.538 7.127 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.590 0.200 5.484 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.317 0.916 5.340 1.00 0.00 C ATOM 1207 C LEU B 133 -1.348 1.875 4.137 1.00 0.00 C ATOM 1208 O LEU B 133 -1.180 3.086 4.305 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.203 -0.151 5.240 1.00 0.00 C ATOM 1210 CG LEU B 133 1.270 0.307 5.263 1.00 0.00 C ATOM 1211 CD1 LEU B 133 2.128 -0.950 5.122 1.00 0.00 C ATOM 1212 CD2 LEU B 133 1.699 1.241 4.129 1.00 0.00 C ATOM 0 H LEU B 133 -2.477 -0.813 5.446 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.125 1.555 6.202 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.343 -0.852 6.062 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.361 -0.707 4.316 1.00 0.00 H new ATOM 0 HG LEU B 133 1.394 0.864 6.192 1.00 0.00 H new ATOM 0 HD11 LEU B 133 3.182 -0.674 5.133 1.00 0.00 H new ATOM 0 HD12 LEU B 133 1.921 -1.627 5.951 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.893 -1.447 4.181 1.00 0.00 H new ATOM 0 HD21 LEU B 133 2.752 1.497 4.247 1.00 0.00 H new ATOM 0 HD22 LEU B 133 1.552 0.742 3.171 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.099 2.150 4.160 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.597 1.354 2.931 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.563 2.143 1.700 1.00 0.00 C ATOM 1226 C ALA B 134 -2.643 3.249 1.664 1.00 0.00 C ATOM 1227 O ALA B 134 -2.371 4.372 1.241 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.694 1.188 0.508 1.00 0.00 C ATOM 0 H ALA B 134 -1.828 0.372 2.783 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.610 2.671 1.652 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.671 1.759 -0.420 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.867 0.478 0.518 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.638 0.647 0.577 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.857 2.964 2.155 1.00 0.00 N ATOM 1235 CA LEU B 135 -4.957 3.929 2.272 1.00 0.00 C ATOM 1236 C LEU B 135 -4.608 5.054 3.261 1.00 0.00 C ATOM 1237 O LEU B 135 -4.796 6.229 2.935 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.238 3.159 2.664 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.587 3.904 2.683 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.721 4.965 3.779 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.904 4.543 1.334 1.00 0.00 C ATOM 0 H LEU B 135 -4.106 2.033 2.490 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.129 4.425 1.317 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.338 2.317 1.978 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.079 2.743 3.659 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.310 3.120 2.908 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.702 5.435 3.713 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.609 4.495 4.756 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -6.947 5.722 3.649 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.863 5.058 1.392 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.123 5.259 1.078 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -7.953 3.770 0.567 1.00 0.00 H new ATOM 1253 N LYS B 136 -4.037 4.730 4.431 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.567 5.723 5.416 1.00 0.00 C ATOM 1255 C LYS B 136 -2.540 6.687 4.805 1.00 0.00 C ATOM 1256 O LYS B 136 -2.709 7.902 4.899 1.00 0.00 O ATOM 1257 CB LYS B 136 -3.024 4.999 6.662 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.581 5.982 7.756 1.00 0.00 C ATOM 1259 CD LYS B 136 -2.173 5.286 9.063 1.00 0.00 C ATOM 1260 CE LYS B 136 -0.944 4.376 8.890 1.00 0.00 C ATOM 1261 NZ LYS B 136 -0.531 3.774 10.187 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.886 3.765 4.725 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.410 6.341 5.724 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.793 4.337 7.060 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.180 4.371 6.377 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.741 6.571 7.388 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.394 6.679 7.961 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -1.958 6.040 9.820 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -3.010 4.693 9.432 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -1.172 3.585 8.176 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -0.117 4.952 8.474 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 0.300 3.166 10.039 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -0.291 4.530 10.860 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.313 3.205 10.570 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.538 6.151 4.096 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.558 6.938 3.335 1.00 0.00 C ATOM 1277 C LEU B 137 -1.228 7.821 2.265 1.00 0.00 C ATOM 1278 O LEU B 137 -0.809 8.968 2.082 1.00 0.00 O ATOM 1279 CB LEU B 137 0.457 5.979 2.678 1.00 0.00 C ATOM 1280 CG LEU B 137 1.785 5.767 3.425 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.639 5.361 4.892 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.562 4.675 2.684 1.00 0.00 C ATOM 0 H LEU B 137 -1.383 5.145 4.034 1.00 0.00 H new ATOM 0 HA LEU B 137 -0.048 7.608 4.027 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -0.023 5.008 2.553 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.683 6.354 1.680 1.00 0.00 H new ATOM 0 HG LEU B 137 2.301 6.727 3.437 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.627 5.235 5.335 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.096 6.137 5.432 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.090 4.422 4.957 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.512 4.499 3.188 1.00 0.00 H new ATOM 0 HD22 LEU B 137 1.978 3.754 2.677 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.749 4.994 1.659 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.272 7.319 1.577 1.00 0.00 N ATOM 1295 CA LYS B 138 -2.986 8.072 0.535 1.00 0.00 C ATOM 1296 C LYS B 138 -3.769 9.257 1.098 1.00 0.00 C ATOM 1297 O LYS B 138 -3.593 10.377 0.625 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.886 7.140 -0.308 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.442 7.799 -1.589 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.346 8.256 -2.568 1.00 0.00 C ATOM 1301 CE LYS B 138 -3.932 8.881 -3.829 1.00 0.00 C ATOM 1302 NZ LYS B 138 -2.849 9.384 -4.720 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.641 6.381 1.730 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.229 8.494 -0.126 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.316 6.253 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.720 6.803 0.307 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.100 7.093 -2.096 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.052 8.659 -1.311 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.696 8.978 -2.074 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.725 7.403 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.534 8.144 -4.360 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.598 9.701 -3.559 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.269 9.806 -5.573 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.291 10.103 -4.217 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -2.230 8.595 -4.993 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.593 9.053 2.132 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.341 10.157 2.756 1.00 0.00 C ATOM 1318 C GLN B 139 -4.409 11.189 3.424 1.00 0.00 C ATOM 1319 O GLN B 139 -4.713 12.384 3.407 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.436 9.638 3.704 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.934 8.922 4.965 1.00 0.00 C ATOM 1322 CD GLN B 139 -7.048 8.738 5.991 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -7.763 7.630 5.962 1.00 0.00 O flip ATOM 1324 NE2 GLN B 139 -7.307 9.583 6.839 1.00 0.00 N flip ATOM 0 H GLN B 139 -4.760 8.140 2.555 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.853 10.692 1.956 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -7.057 10.480 4.009 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.077 8.953 3.149 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.526 7.949 4.693 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -5.121 9.496 5.410 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -6.767 10.447 6.879 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -8.063 9.422 7.505 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.240 10.770 3.936 1.00 0.00 N ATOM 1334 CA GLN B 140 -2.211 11.683 4.455 1.00 0.00 C ATOM 1335 C GLN B 140 -1.673 12.630 3.368 1.00 0.00 C ATOM 1336 O GLN B 140 -1.718 13.844 3.565 1.00 0.00 O ATOM 1337 CB GLN B 140 -1.060 10.893 5.087 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.408 10.354 6.487 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.371 9.371 7.035 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.572 8.954 6.371 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.505 8.955 8.276 1.00 0.00 N ATOM 0 H GLN B 140 -2.982 9.785 4.001 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.685 12.299 5.220 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.797 10.059 4.436 1.00 0.00 H new ATOM 0 HB3 GLN B 140 -0.181 11.533 5.157 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.504 11.192 7.177 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.379 9.861 6.447 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -1.282 9.290 8.845 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.169 8.298 8.669 1.00 0.00 H new