USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 506 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 63 THR OG1 : rot 170:sc= 0.77 USER MOD Set 1.2: A 66 GLN : amide:sc= 0.915 K(o=1.7,f=0.67) USER MOD Set 2.1: A 38 GLN : amide:sc= 0.599 K(o=1.5,f=-6.8!) USER MOD Set 2.2: A 53 LYS NZ :NH3+ -131:sc= 0.916! (180deg=0.538) USER MOD Set 3.1: A 37 SER OG : rot -73:sc= 0.177 USER MOD Set 3.2: A 40 GLN : amide:sc= 0.821 K(o=1,f=-3.6!) USER MOD Single : A 23 TYR OH : rot 166:sc= 0.497 USER MOD Single : A 24 TYR OH : rot 130:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 43 GLN : amide:sc= 0.936 K(o=0.94,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -170:sc= -0.177 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 57 SER OG : rot -90:sc= 0.818 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0478 USER MOD Single : A 69 GLN :FLIP amide:sc= 0 F(o=-0.68!,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 152 N TYR A 23 11.450 -1.522 8.179 1.00 0.00 N ATOM 153 CA TYR A 23 10.224 -1.353 7.436 1.00 0.00 C ATOM 154 C TYR A 23 9.061 -0.715 8.190 1.00 0.00 C ATOM 155 O TYR A 23 9.019 -0.819 9.417 1.00 0.00 O ATOM 156 CB TYR A 23 9.928 -2.622 6.642 1.00 0.00 C ATOM 157 CG TYR A 23 8.953 -2.394 5.517 1.00 0.00 C ATOM 158 CD1 TYR A 23 9.424 -1.690 4.391 1.00 0.00 C ATOM 159 CD2 TYR A 23 7.639 -2.903 5.441 1.00 0.00 C ATOM 160 CE1 TYR A 23 8.590 -1.463 3.298 1.00 0.00 C ATOM 161 CE2 TYR A 23 6.813 -2.780 4.339 1.00 0.00 C ATOM 162 CZ TYR A 23 7.262 -1.939 3.296 1.00 0.00 C ATOM 163 OH TYR A 23 6.376 -1.696 2.291 1.00 0.00 O ATOM 0 HA TYR A 23 10.384 -0.560 6.706 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.859 -3.016 6.235 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.528 -3.381 7.315 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.440 -1.323 4.375 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.252 -3.425 6.304 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.964 -0.917 2.444 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.869 -3.302 4.278 1.00 0.00 H new ATOM 0 HH TYR A 23 5.605 -2.294 2.383 1.00 0.00 H new ATOM 173 N TYR A 24 8.141 -0.119 7.422 1.00 0.00 N ATOM 174 CA TYR A 24 6.957 0.526 7.942 1.00 0.00 C ATOM 175 C TYR A 24 5.907 -0.485 8.377 1.00 0.00 C ATOM 176 O TYR A 24 5.580 -1.432 7.676 1.00 0.00 O ATOM 177 CB TYR A 24 6.342 1.425 6.854 1.00 0.00 C ATOM 178 CG TYR A 24 7.145 2.629 6.412 1.00 0.00 C ATOM 179 CD1 TYR A 24 8.462 2.813 6.871 1.00 0.00 C ATOM 180 CD2 TYR A 24 6.531 3.517 5.529 1.00 0.00 C ATOM 181 CE1 TYR A 24 9.185 3.894 6.356 1.00 0.00 C ATOM 182 CE2 TYR A 24 7.276 4.595 5.063 1.00 0.00 C ATOM 183 CZ TYR A 24 8.622 4.791 5.430 1.00 0.00 C ATOM 184 OH TYR A 24 9.461 5.715 4.877 1.00 0.00 O ATOM 0 H TYR A 24 8.211 -0.078 6.405 1.00 0.00 H new ATOM 0 HA TYR A 24 7.258 1.112 8.810 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.149 0.808 5.976 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.376 1.778 7.215 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.900 2.143 7.596 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.507 3.372 5.216 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.205 4.044 6.679 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.807 5.305 4.398 1.00 0.00 H new ATOM 0 HH TYR A 24 9.360 5.707 3.902 1.00 0.00 H new ATOM 194 N LYS A 25 5.464 -0.252 9.620 1.00 0.00 N ATOM 195 CA LYS A 25 4.531 -1.051 10.399 1.00 0.00 C ATOM 196 C LYS A 25 3.137 -0.458 10.514 1.00 0.00 C ATOM 197 O LYS A 25 2.158 -1.177 10.732 1.00 0.00 O ATOM 198 CB LYS A 25 5.193 -1.067 11.769 1.00 0.00 C ATOM 199 CG LYS A 25 6.417 -1.974 11.843 1.00 0.00 C ATOM 200 CD LYS A 25 7.088 -1.985 13.214 1.00 0.00 C ATOM 201 CE LYS A 25 7.865 -0.718 13.523 1.00 0.00 C ATOM 202 NZ LYS A 25 8.442 -0.652 14.881 1.00 0.00 N ATOM 0 H LYS A 25 5.779 0.567 10.141 1.00 0.00 H new ATOM 0 HA LYS A 25 4.365 -2.024 9.938 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.487 -0.051 12.034 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.465 -1.392 12.512 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.121 -2.991 11.584 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.142 -1.653 11.095 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.326 -2.130 13.980 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.764 -2.838 13.271 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.672 -0.619 12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.204 0.138 13.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.952 0.247 14.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.679 -0.711 15.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.101 -1.445 15.017 1.00 0.00 H new ATOM 216 N ILE A 26 2.879 0.838 10.327 1.00 0.00 N ATOM 217 CA ILE A 26 1.612 1.488 10.530 1.00 0.00 C ATOM 218 C ILE A 26 0.545 1.098 9.501 1.00 0.00 C ATOM 219 O ILE A 26 -0.620 0.877 9.823 1.00 0.00 O ATOM 220 CB ILE A 26 1.931 2.977 10.548 1.00 0.00 C ATOM 221 CG1 ILE A 26 2.716 3.486 9.335 1.00 0.00 C ATOM 222 CG2 ILE A 26 2.581 3.404 11.872 1.00 0.00 C ATOM 223 CD1 ILE A 26 2.705 4.980 9.047 1.00 0.00 C ATOM 0 H ILE A 26 3.600 1.487 10.012 1.00 0.00 H new ATOM 0 HA ILE A 26 1.151 1.171 11.466 1.00 0.00 H new ATOM 0 HB ILE A 26 0.961 3.468 10.470 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.754 3.178 9.457 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.334 2.974 8.452 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.793 4.473 11.845 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.901 3.190 12.697 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.511 2.853 12.015 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.304 5.184 8.159 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.680 5.310 8.877 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.123 5.518 9.898 1.00 0.00 H new ATOM 235 N ILE A 27 0.971 0.935 8.250 1.00 0.00 N ATOM 236 CA ILE A 27 0.177 0.566 7.097 1.00 0.00 C ATOM 237 C ILE A 27 -0.375 -0.851 7.118 1.00 0.00 C ATOM 238 O ILE A 27 -1.271 -1.110 6.303 1.00 0.00 O ATOM 239 CB ILE A 27 0.802 0.968 5.771 1.00 0.00 C ATOM 240 CG1 ILE A 27 2.238 0.430 5.732 1.00 0.00 C ATOM 241 CG2 ILE A 27 0.771 2.480 5.621 1.00 0.00 C ATOM 242 CD1 ILE A 27 3.114 0.625 4.504 1.00 0.00 C ATOM 0 H ILE A 27 1.952 1.069 8.006 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.716 1.183 7.190 1.00 0.00 H new ATOM 0 HB ILE A 27 0.240 0.545 4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.768 0.872 6.576 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.182 -0.643 5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.221 2.760 4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.262 2.828 5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.332 2.938 6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.090 0.172 4.678 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.643 0.152 3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.238 1.691 4.311 1.00 0.00 H new ATOM 254 N LYS A 28 0.186 -1.765 7.900 1.00 0.00 N ATOM 255 CA LYS A 28 0.001 -3.175 7.602 1.00 0.00 C ATOM 256 C LYS A 28 -1.358 -3.850 7.719 1.00 0.00 C ATOM 257 O LYS A 28 -1.884 -4.083 6.636 1.00 0.00 O ATOM 258 CB LYS A 28 1.034 -4.056 8.300 1.00 0.00 C ATOM 259 CG LYS A 28 0.745 -5.526 7.964 1.00 0.00 C ATOM 260 CD LYS A 28 1.654 -6.557 8.608 1.00 0.00 C ATOM 261 CE LYS A 28 1.095 -7.974 8.445 1.00 0.00 C ATOM 262 NZ LYS A 28 2.126 -8.897 8.940 1.00 0.00 N ATOM 0 H LYS A 28 0.756 -1.563 8.721 1.00 0.00 H new ATOM 0 HA LYS A 28 0.131 -3.102 6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.039 -3.786 7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.994 -3.901 9.378 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.282 -5.747 8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.804 -5.647 6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.646 -6.501 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.771 -6.330 9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.169 -8.091 9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.861 -8.180 7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.788 -9.876 8.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.996 -8.777 8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.325 -8.692 9.940 1.00 0.00 H new ATOM 276 N THR A 29 -2.050 -3.964 8.865 1.00 0.00 N ATOM 277 CA THR A 29 -3.318 -4.654 9.035 1.00 0.00 C ATOM 278 C THR A 29 -4.529 -4.057 8.344 1.00 0.00 C ATOM 279 O THR A 29 -5.501 -4.745 8.033 1.00 0.00 O ATOM 280 CB THR A 29 -3.577 -5.224 10.424 1.00 0.00 C ATOM 281 OG1 THR A 29 -3.550 -4.122 11.301 1.00 0.00 O ATOM 282 CG2 THR A 29 -2.498 -6.163 10.960 1.00 0.00 C ATOM 0 H THR A 29 -1.714 -3.553 9.736 1.00 0.00 H new ATOM 0 HA THR A 29 -3.145 -5.541 8.426 1.00 0.00 H new ATOM 0 HB THR A 29 -4.508 -5.787 10.360 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.714 -4.429 12.217 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.780 -6.512 11.953 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.394 -7.018 10.291 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.549 -5.631 11.018 1.00 0.00 H new ATOM 290 N ALA A 30 -4.406 -2.745 8.123 1.00 0.00 N ATOM 291 CA ALA A 30 -5.432 -1.837 7.655 1.00 0.00 C ATOM 292 C ALA A 30 -6.121 -2.165 6.333 1.00 0.00 C ATOM 293 O ALA A 30 -7.256 -1.754 6.150 1.00 0.00 O ATOM 294 CB ALA A 30 -4.790 -0.453 7.544 1.00 0.00 C ATOM 0 H ALA A 30 -3.520 -2.265 8.281 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.237 -1.912 8.386 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.531 0.265 7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.420 -0.144 8.522 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.960 -0.492 6.838 1.00 0.00 H new ATOM 300 N ARG A 31 -5.534 -2.831 5.340 1.00 0.00 N ATOM 301 CA ARG A 31 -6.213 -3.217 4.120 1.00 0.00 C ATOM 302 C ARG A 31 -7.543 -3.944 4.337 1.00 0.00 C ATOM 303 O ARG A 31 -8.408 -3.730 3.492 1.00 0.00 O ATOM 304 CB ARG A 31 -5.196 -3.972 3.267 1.00 0.00 C ATOM 305 CG ARG A 31 -4.803 -5.400 3.624 1.00 0.00 C ATOM 306 CD ARG A 31 -4.120 -6.168 2.492 1.00 0.00 C ATOM 307 NE ARG A 31 -3.590 -7.480 2.842 1.00 0.00 N ATOM 308 CZ ARG A 31 -4.227 -8.457 3.500 1.00 0.00 C ATOM 309 NH1 ARG A 31 -5.561 -8.509 3.586 1.00 0.00 N ATOM 310 NH2 ARG A 31 -3.537 -9.421 4.141 1.00 0.00 N ATOM 0 H ARG A 31 -4.556 -3.119 5.368 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.549 -2.330 3.583 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.579 -3.988 2.247 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.281 -3.379 3.255 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.135 -5.376 4.485 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.697 -5.945 3.929 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.836 -6.292 1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.303 -5.558 2.107 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.631 -7.675 2.555 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.129 -7.788 3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.010 -9.270 4.096 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.517 -9.412 4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.035 -10.159 4.638 1.00 0.00 H new ATOM 324 N GLU A 32 -7.642 -4.826 5.341 1.00 0.00 N ATOM 325 CA GLU A 32 -8.797 -5.645 5.646 1.00 0.00 C ATOM 326 C GLU A 32 -10.041 -4.811 5.935 1.00 0.00 C ATOM 327 O GLU A 32 -11.135 -5.329 5.741 1.00 0.00 O ATOM 328 CB GLU A 32 -8.346 -6.538 6.794 1.00 0.00 C ATOM 329 CG GLU A 32 -7.130 -7.380 6.399 1.00 0.00 C ATOM 330 CD GLU A 32 -6.791 -8.424 7.458 1.00 0.00 C ATOM 331 OE1 GLU A 32 -7.565 -9.365 7.745 1.00 0.00 O ATOM 332 OE2 GLU A 32 -5.648 -8.373 7.965 1.00 0.00 O ATOM 0 H GLU A 32 -6.872 -4.987 5.990 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.118 -6.252 4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.100 -5.924 7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.164 -7.194 7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.326 -7.877 5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.271 -6.727 6.245 1.00 0.00 H new ATOM 339 N GLN A 33 -9.971 -3.582 6.454 1.00 0.00 N ATOM 340 CA GLN A 33 -11.085 -2.725 6.792 1.00 0.00 C ATOM 341 C GLN A 33 -12.012 -2.481 5.617 1.00 0.00 C ATOM 342 O GLN A 33 -13.214 -2.326 5.832 1.00 0.00 O ATOM 343 CB GLN A 33 -10.626 -1.397 7.397 1.00 0.00 C ATOM 344 CG GLN A 33 -9.846 -1.656 8.679 1.00 0.00 C ATOM 345 CD GLN A 33 -9.476 -0.410 9.463 1.00 0.00 C ATOM 346 OE1 GLN A 33 -8.514 0.323 9.253 1.00 0.00 O ATOM 347 NE2 GLN A 33 -10.356 -0.148 10.440 1.00 0.00 N ATOM 0 H GLN A 33 -9.074 -3.142 6.658 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.653 -3.264 7.550 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.002 -0.858 6.684 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.489 -0.765 7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.436 -2.310 9.321 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.932 -2.195 8.429 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.147 -0.773 10.595 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.234 0.676 11.029 1.00 0.00 H new ATOM 356 N LEU A 34 -11.363 -2.285 4.472 1.00 0.00 N ATOM 357 CA LEU A 34 -11.921 -1.608 3.314 1.00 0.00 C ATOM 358 C LEU A 34 -12.924 -2.389 2.491 1.00 0.00 C ATOM 359 O LEU A 34 -13.735 -1.908 1.704 1.00 0.00 O ATOM 360 CB LEU A 34 -10.755 -1.071 2.486 1.00 0.00 C ATOM 361 CG LEU A 34 -9.829 -0.062 3.161 1.00 0.00 C ATOM 362 CD1 LEU A 34 -8.555 0.145 2.323 1.00 0.00 C ATOM 363 CD2 LEU A 34 -10.374 1.316 3.498 1.00 0.00 C ATOM 0 H LEU A 34 -10.406 -2.604 4.324 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.546 -0.796 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.152 -1.919 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.163 -0.607 1.588 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.656 -0.541 4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.907 0.867 2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.029 -0.804 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.826 0.519 1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.593 1.910 3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.702 1.811 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.218 1.217 4.180 1.00 0.00 H new ATOM 375 N GLY A 35 -13.025 -3.683 2.848 1.00 0.00 N ATOM 376 CA GLY A 35 -13.997 -4.609 2.317 1.00 0.00 C ATOM 377 C GLY A 35 -13.673 -5.135 0.922 1.00 0.00 C ATOM 378 O GLY A 35 -14.267 -6.066 0.398 1.00 0.00 O ATOM 0 H GLY A 35 -12.405 -4.109 3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -14.085 -5.455 2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -14.970 -4.119 2.290 1.00 0.00 H new ATOM 382 N ILE A 36 -12.704 -4.458 0.303 1.00 0.00 N ATOM 383 CA ILE A 36 -12.416 -4.538 -1.109 1.00 0.00 C ATOM 384 C ILE A 36 -11.443 -5.634 -1.529 1.00 0.00 C ATOM 385 O ILE A 36 -10.886 -6.350 -0.680 1.00 0.00 O ATOM 386 CB ILE A 36 -11.905 -3.216 -1.670 1.00 0.00 C ATOM 387 CG1 ILE A 36 -10.627 -2.692 -1.017 1.00 0.00 C ATOM 388 CG2 ILE A 36 -13.076 -2.229 -1.567 1.00 0.00 C ATOM 389 CD1 ILE A 36 -10.087 -1.361 -1.549 1.00 0.00 C ATOM 0 H ILE A 36 -12.083 -3.819 0.799 1.00 0.00 H new ATOM 0 HA ILE A 36 -13.388 -4.794 -1.530 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.591 -3.358 -2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.809 -2.584 0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.850 -3.447 -1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.769 -1.258 -1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.919 -2.603 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.373 -2.124 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.179 -1.094 -1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.861 -1.458 -2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.836 -0.582 -1.407 1.00 0.00 H new ATOM 401 N SER A 37 -11.381 -5.990 -2.811 1.00 0.00 N ATOM 402 CA SER A 37 -10.541 -7.077 -3.228 1.00 0.00 C ATOM 403 C SER A 37 -9.098 -6.641 -3.459 1.00 0.00 C ATOM 404 O SER A 37 -8.804 -5.449 -3.310 1.00 0.00 O ATOM 405 CB SER A 37 -11.090 -7.712 -4.515 1.00 0.00 C ATOM 406 OG SER A 37 -11.024 -6.770 -5.563 1.00 0.00 O ATOM 0 H SER A 37 -11.903 -5.538 -3.562 1.00 0.00 H new ATOM 0 HA SER A 37 -10.545 -7.807 -2.418 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.512 -8.600 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.120 -8.035 -4.365 1.00 0.00 H new ATOM 0 HG SER A 37 -11.717 -6.089 -5.435 1.00 0.00 H new ATOM 412 N GLN A 38 -8.174 -7.534 -3.804 1.00 0.00 N ATOM 413 CA GLN A 38 -6.833 -7.130 -4.185 1.00 0.00 C ATOM 414 C GLN A 38 -6.825 -6.119 -5.317 1.00 0.00 C ATOM 415 O GLN A 38 -6.086 -5.127 -5.316 1.00 0.00 O ATOM 416 CB GLN A 38 -5.874 -8.314 -4.293 1.00 0.00 C ATOM 417 CG GLN A 38 -4.437 -7.784 -4.338 1.00 0.00 C ATOM 418 CD GLN A 38 -3.354 -8.853 -4.262 1.00 0.00 C ATOM 419 OE1 GLN A 38 -2.818 -9.221 -5.305 1.00 0.00 O ATOM 420 NE2 GLN A 38 -2.971 -9.355 -3.099 1.00 0.00 N ATOM 0 H GLN A 38 -8.334 -8.541 -3.826 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.402 -6.556 -3.364 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.003 -8.983 -3.442 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.090 -8.894 -5.190 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.303 -7.218 -5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.297 -7.087 -3.512 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.420 -9.045 -2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.227 -10.052 -3.064 1.00 0.00 H new ATOM 429 N GLN A 39 -7.545 -6.406 -6.394 1.00 0.00 N ATOM 430 CA GLN A 39 -7.618 -5.625 -7.609 1.00 0.00 C ATOM 431 C GLN A 39 -8.174 -4.210 -7.459 1.00 0.00 C ATOM 432 O GLN A 39 -7.790 -3.323 -8.219 1.00 0.00 O ATOM 433 CB GLN A 39 -8.447 -6.460 -8.582 1.00 0.00 C ATOM 434 CG GLN A 39 -8.629 -5.887 -9.983 1.00 0.00 C ATOM 435 CD GLN A 39 -9.430 -6.853 -10.833 1.00 0.00 C ATOM 436 OE1 GLN A 39 -9.718 -7.996 -10.509 1.00 0.00 O ATOM 437 NE2 GLN A 39 -9.831 -6.387 -12.013 1.00 0.00 N ATOM 0 H GLN A 39 -8.127 -7.243 -6.439 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.605 -5.435 -7.965 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.982 -7.441 -8.672 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.434 -6.614 -8.145 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.140 -4.926 -9.929 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.657 -5.706 -10.441 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.595 -5.435 -12.292 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.374 -6.982 -12.639 1.00 0.00 H new ATOM 446 N GLN A 40 -9.059 -4.018 -6.481 1.00 0.00 N ATOM 447 CA GLN A 40 -9.608 -2.709 -6.157 1.00 0.00 C ATOM 448 C GLN A 40 -8.705 -1.784 -5.333 1.00 0.00 C ATOM 449 O GLN A 40 -8.776 -0.578 -5.560 1.00 0.00 O ATOM 450 CB GLN A 40 -10.853 -2.965 -5.324 1.00 0.00 C ATOM 451 CG GLN A 40 -12.051 -3.188 -6.237 1.00 0.00 C ATOM 452 CD GLN A 40 -13.240 -3.585 -5.382 1.00 0.00 C ATOM 453 OE1 GLN A 40 -13.144 -4.624 -4.730 1.00 0.00 O ATOM 454 NE2 GLN A 40 -14.421 -2.980 -5.470 1.00 0.00 N ATOM 0 H GLN A 40 -9.414 -4.771 -5.891 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.770 -2.198 -7.106 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.702 -3.837 -4.688 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.040 -2.118 -4.664 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.274 -2.280 -6.798 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.832 -3.968 -6.966 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.514 -2.118 -6.007 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.234 -3.378 -5.000 1.00 0.00 H new ATOM 463 N LEU A 41 -8.046 -2.433 -4.374 1.00 0.00 N ATOM 464 CA LEU A 41 -6.909 -1.993 -3.583 1.00 0.00 C ATOM 465 C LEU A 41 -5.849 -1.376 -4.480 1.00 0.00 C ATOM 466 O LEU A 41 -5.414 -0.247 -4.211 1.00 0.00 O ATOM 467 CB LEU A 41 -6.507 -3.060 -2.577 1.00 0.00 C ATOM 468 CG LEU A 41 -5.390 -2.824 -1.570 1.00 0.00 C ATOM 469 CD1 LEU A 41 -5.832 -2.240 -0.232 1.00 0.00 C ATOM 470 CD2 LEU A 41 -4.635 -4.107 -1.236 1.00 0.00 C ATOM 0 H LEU A 41 -8.329 -3.376 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.159 -1.161 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.401 -3.309 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.236 -3.948 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.763 -2.097 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.963 -2.110 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.309 -1.274 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.540 -2.918 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.848 -3.889 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.326 -4.835 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.191 -4.515 -2.144 1.00 0.00 H new ATOM 482 N ALA A 42 -5.534 -1.998 -5.619 1.00 0.00 N ATOM 483 CA ALA A 42 -4.657 -1.538 -6.675 1.00 0.00 C ATOM 484 C ALA A 42 -5.097 -0.199 -7.252 1.00 0.00 C ATOM 485 O ALA A 42 -4.307 0.745 -7.248 1.00 0.00 O ATOM 486 CB ALA A 42 -4.371 -2.639 -7.700 1.00 0.00 C ATOM 0 H ALA A 42 -5.925 -2.915 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.683 -1.321 -6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.709 -2.252 -8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.893 -3.483 -7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.307 -2.967 -8.153 1.00 0.00 H new ATOM 492 N GLN A 43 -6.330 -0.050 -7.733 1.00 0.00 N ATOM 493 CA GLN A 43 -6.900 1.204 -8.194 1.00 0.00 C ATOM 494 C GLN A 43 -7.019 2.234 -7.086 1.00 0.00 C ATOM 495 O GLN A 43 -6.970 3.435 -7.322 1.00 0.00 O ATOM 496 CB GLN A 43 -8.217 0.891 -8.892 1.00 0.00 C ATOM 497 CG GLN A 43 -8.179 -0.123 -10.025 1.00 0.00 C ATOM 498 CD GLN A 43 -9.456 -0.910 -10.318 1.00 0.00 C ATOM 499 OE1 GLN A 43 -10.427 -0.462 -10.934 1.00 0.00 O ATOM 500 NE2 GLN A 43 -9.605 -2.209 -10.103 1.00 0.00 N ATOM 0 H GLN A 43 -6.980 -0.832 -7.813 1.00 0.00 H new ATOM 0 HA GLN A 43 -6.230 1.679 -8.911 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.921 0.532 -8.141 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.620 1.824 -9.287 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -7.893 0.403 -10.936 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.386 -0.839 -9.808 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -8.884 -2.729 -9.603 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.441 -2.689 -10.437 1.00 0.00 H new ATOM 509 N LYS A 44 -7.305 1.821 -5.853 1.00 0.00 N ATOM 510 CA LYS A 44 -7.593 2.733 -4.773 1.00 0.00 C ATOM 511 C LYS A 44 -6.358 3.574 -4.496 1.00 0.00 C ATOM 512 O LYS A 44 -6.339 4.779 -4.263 1.00 0.00 O ATOM 513 CB LYS A 44 -8.022 1.971 -3.512 1.00 0.00 C ATOM 514 CG LYS A 44 -8.494 2.943 -2.444 1.00 0.00 C ATOM 515 CD LYS A 44 -9.259 2.274 -1.310 1.00 0.00 C ATOM 516 CE LYS A 44 -9.885 3.145 -0.227 1.00 0.00 C ATOM 517 NZ LYS A 44 -11.108 3.768 -0.759 1.00 0.00 N ATOM 0 H LYS A 44 -7.341 0.838 -5.584 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.420 3.382 -5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.822 1.272 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.187 1.381 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.630 3.464 -2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.131 3.697 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.056 1.680 -1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.579 1.577 -0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.121 2.543 0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.180 3.913 0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.541 4.364 -0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.868 4.354 -1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.780 3.027 -1.044 1.00 0.00 H new ATOM 531 N LEU A 45 -5.198 2.920 -4.626 1.00 0.00 N ATOM 532 CA LEU A 45 -3.823 3.211 -4.322 1.00 0.00 C ATOM 533 C LEU A 45 -3.019 3.672 -5.532 1.00 0.00 C ATOM 534 O LEU A 45 -1.922 4.211 -5.378 1.00 0.00 O ATOM 535 CB LEU A 45 -3.083 2.011 -3.732 1.00 0.00 C ATOM 536 CG LEU A 45 -2.938 2.075 -2.209 1.00 0.00 C ATOM 537 CD1 LEU A 45 -4.300 1.933 -1.528 1.00 0.00 C ATOM 538 CD2 LEU A 45 -2.129 0.893 -1.676 1.00 0.00 C ATOM 0 H LEU A 45 -5.238 1.985 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.888 4.018 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.614 1.098 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.092 1.948 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.458 3.031 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.173 1.981 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.955 2.741 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.744 0.975 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.045 0.969 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.631 -0.039 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.133 0.905 -2.119 1.00 0.00 H new ATOM 550 N LYS A 46 -3.646 3.646 -6.715 1.00 0.00 N ATOM 551 CA LYS A 46 -3.030 3.986 -7.982 1.00 0.00 C ATOM 552 C LYS A 46 -1.767 3.183 -8.276 1.00 0.00 C ATOM 553 O LYS A 46 -0.767 3.746 -8.693 1.00 0.00 O ATOM 554 CB LYS A 46 -2.833 5.490 -8.145 1.00 0.00 C ATOM 555 CG LYS A 46 -4.047 6.388 -7.922 1.00 0.00 C ATOM 556 CD LYS A 46 -3.766 7.852 -8.289 1.00 0.00 C ATOM 557 CE LYS A 46 -3.833 8.054 -9.796 1.00 0.00 C ATOM 558 NZ LYS A 46 -3.553 9.462 -10.132 1.00 0.00 N ATOM 0 H LYS A 46 -4.626 3.378 -6.808 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.742 3.685 -8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.051 5.804 -7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.460 5.673 -9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.882 6.020 -8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.352 6.330 -6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.492 8.500 -7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.781 8.141 -7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.111 7.404 -10.290 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.820 7.773 -10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.601 9.589 -11.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.258 10.075 -9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.602 9.717 -9.796 1.00 0.00 H new ATOM 572 N VAL A 47 -1.789 1.844 -8.315 1.00 0.00 N ATOM 573 CA VAL A 47 -0.696 0.894 -8.406 1.00 0.00 C ATOM 574 C VAL A 47 -1.130 -0.386 -9.092 1.00 0.00 C ATOM 575 O VAL A 47 -2.279 -0.564 -9.476 1.00 0.00 O ATOM 576 CB VAL A 47 -0.263 0.636 -6.960 1.00 0.00 C ATOM 577 CG1 VAL A 47 0.266 1.865 -6.230 1.00 0.00 C ATOM 578 CG2 VAL A 47 -1.321 -0.065 -6.128 1.00 0.00 C ATOM 0 H VAL A 47 -2.683 1.354 -8.279 1.00 0.00 H new ATOM 0 HA VAL A 47 0.125 1.283 -9.008 1.00 0.00 H new ATOM 0 HB VAL A 47 0.579 -0.047 -7.070 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.549 1.591 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.137 2.254 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.510 2.630 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.947 -0.216 -5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.222 0.547 -6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.555 -1.031 -6.576 1.00 0.00 H new ATOM 588 N SER A 48 -0.259 -1.400 -9.190 1.00 0.00 N ATOM 589 CA SER A 48 -0.569 -2.760 -9.567 1.00 0.00 C ATOM 590 C SER A 48 -0.838 -3.708 -8.409 1.00 0.00 C ATOM 591 O SER A 48 -0.444 -3.386 -7.281 1.00 0.00 O ATOM 592 CB SER A 48 0.601 -3.304 -10.390 1.00 0.00 C ATOM 593 OG SER A 48 1.835 -3.243 -9.705 1.00 0.00 O ATOM 0 H SER A 48 0.734 -1.271 -8.994 1.00 0.00 H new ATOM 0 HA SER A 48 -1.501 -2.716 -10.130 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.395 -4.339 -10.664 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.679 -2.738 -11.318 1.00 0.00 H new ATOM 0 HG SER A 48 2.564 -3.452 -10.325 1.00 0.00 H new ATOM 599 N GLU A 49 -1.455 -4.866 -8.648 1.00 0.00 N ATOM 600 CA GLU A 49 -1.580 -5.875 -7.620 1.00 0.00 C ATOM 601 C GLU A 49 -0.237 -6.521 -7.305 1.00 0.00 C ATOM 602 O GLU A 49 -0.044 -7.081 -6.236 1.00 0.00 O ATOM 603 CB GLU A 49 -2.405 -7.069 -8.092 1.00 0.00 C ATOM 604 CG GLU A 49 -3.874 -6.685 -8.257 1.00 0.00 C ATOM 605 CD GLU A 49 -4.747 -7.809 -8.786 1.00 0.00 C ATOM 606 OE1 GLU A 49 -4.718 -7.946 -10.027 1.00 0.00 O ATOM 607 OE2 GLU A 49 -5.378 -8.559 -8.002 1.00 0.00 O ATOM 0 H GLU A 49 -1.871 -5.119 -9.544 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.024 -5.347 -6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.012 -7.436 -9.040 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.316 -7.884 -7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.264 -6.357 -7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.943 -5.834 -8.935 1.00 0.00 H new ATOM 614 N ASN A 50 0.692 -6.332 -8.265 1.00 0.00 N ATOM 615 CA ASN A 50 2.062 -6.528 -7.833 1.00 0.00 C ATOM 616 C ASN A 50 2.657 -5.534 -6.848 1.00 0.00 C ATOM 617 O ASN A 50 3.402 -5.855 -5.933 1.00 0.00 O ATOM 618 CB ASN A 50 2.813 -6.503 -9.166 1.00 0.00 C ATOM 619 CG ASN A 50 4.306 -6.572 -8.846 1.00 0.00 C ATOM 620 OD1 ASN A 50 5.034 -5.576 -8.850 1.00 0.00 O ATOM 621 ND2 ASN A 50 4.849 -7.797 -8.715 1.00 0.00 N ATOM 0 H ASN A 50 0.535 -6.072 -9.239 1.00 0.00 H new ATOM 0 HA ASN A 50 2.133 -7.441 -7.242 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.514 -7.344 -9.791 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.580 -5.595 -9.722 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.859 -7.899 -8.619 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.250 -8.623 -8.711 1.00 0.00 H new ATOM 628 N ILE A 51 2.304 -4.248 -6.913 1.00 0.00 N ATOM 629 CA ILE A 51 2.840 -3.237 -6.025 1.00 0.00 C ATOM 630 C ILE A 51 2.234 -3.387 -4.642 1.00 0.00 C ATOM 631 O ILE A 51 2.862 -3.138 -3.617 1.00 0.00 O ATOM 632 CB ILE A 51 2.754 -1.841 -6.625 1.00 0.00 C ATOM 633 CG1 ILE A 51 3.832 -1.757 -7.704 1.00 0.00 C ATOM 634 CG2 ILE A 51 2.966 -0.693 -5.634 1.00 0.00 C ATOM 635 CD1 ILE A 51 3.520 -0.725 -8.771 1.00 0.00 C ATOM 0 H ILE A 51 1.633 -3.886 -7.591 1.00 0.00 H new ATOM 0 HA ILE A 51 3.912 -3.393 -5.901 1.00 0.00 H new ATOM 0 HB ILE A 51 1.739 -1.714 -7.002 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.787 -1.513 -7.238 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.946 -2.734 -8.173 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.886 0.259 -6.158 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.208 -0.742 -4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.956 -0.778 -5.185 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.322 -0.711 -9.509 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.580 -0.980 -9.260 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.434 0.259 -8.311 1.00 0.00 H new ATOM 647 N VAL A 52 0.934 -3.692 -4.559 1.00 0.00 N ATOM 648 CA VAL A 52 0.299 -3.873 -3.277 1.00 0.00 C ATOM 649 C VAL A 52 0.971 -4.989 -2.487 1.00 0.00 C ATOM 650 O VAL A 52 1.273 -4.737 -1.320 1.00 0.00 O ATOM 651 CB VAL A 52 -1.236 -3.874 -3.347 1.00 0.00 C ATOM 652 CG1 VAL A 52 -1.774 -2.636 -4.073 1.00 0.00 C ATOM 653 CG2 VAL A 52 -1.801 -5.182 -3.884 1.00 0.00 C ATOM 0 H VAL A 52 0.318 -3.815 -5.363 1.00 0.00 H new ATOM 0 HA VAL A 52 0.471 -2.985 -2.669 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.600 -3.807 -2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.863 -2.675 -4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.457 -1.737 -3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.386 -2.614 -5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.889 -5.124 -3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.422 -5.356 -4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.497 -6.003 -3.235 1.00 0.00 H new ATOM 663 N LYS A 53 1.211 -6.187 -3.008 1.00 0.00 N ATOM 664 CA LYS A 53 2.035 -7.268 -2.509 1.00 0.00 C ATOM 665 C LYS A 53 3.386 -6.700 -2.102 1.00 0.00 C ATOM 666 O LYS A 53 3.884 -7.108 -1.054 1.00 0.00 O ATOM 667 CB LYS A 53 2.125 -8.275 -3.657 1.00 0.00 C ATOM 668 CG LYS A 53 0.823 -9.093 -3.647 1.00 0.00 C ATOM 669 CD LYS A 53 0.979 -10.366 -4.450 1.00 0.00 C ATOM 670 CE LYS A 53 0.967 -10.113 -5.954 1.00 0.00 C ATOM 671 NZ LYS A 53 -0.350 -9.719 -6.469 1.00 0.00 N ATOM 0 H LYS A 53 0.779 -6.448 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 53 1.631 -7.761 -1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.249 -7.762 -4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.990 -8.926 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.550 -9.337 -2.620 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.010 -8.495 -4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.914 -10.853 -4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.173 -11.054 -4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.689 -9.331 -6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.295 -11.016 -6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.584 -10.296 -7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.069 -9.868 -5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.332 -8.714 -6.737 1.00 0.00 H new ATOM 685 N ARG A 54 4.051 -5.820 -2.832 1.00 0.00 N ATOM 686 CA ARG A 54 5.347 -5.247 -2.537 1.00 0.00 C ATOM 687 C ARG A 54 5.356 -4.329 -1.328 1.00 0.00 C ATOM 688 O ARG A 54 6.266 -4.546 -0.506 1.00 0.00 O ATOM 689 CB ARG A 54 5.776 -4.538 -3.811 1.00 0.00 C ATOM 690 CG ARG A 54 7.232 -4.089 -3.786 1.00 0.00 C ATOM 691 CD ARG A 54 7.907 -3.596 -5.062 1.00 0.00 C ATOM 692 NE ARG A 54 8.128 -4.702 -5.987 1.00 0.00 N ATOM 693 CZ ARG A 54 8.753 -4.633 -7.171 1.00 0.00 C ATOM 694 NH1 ARG A 54 9.178 -3.475 -7.724 1.00 0.00 N ATOM 695 NH2 ARG A 54 8.868 -5.809 -7.802 1.00 0.00 N ATOM 0 H ARG A 54 3.669 -5.464 -3.708 1.00 0.00 H new ATOM 0 HA ARG A 54 6.050 -6.029 -2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.622 -5.205 -4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.137 -3.669 -3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.311 -3.289 -3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.821 -4.926 -3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.287 -2.836 -5.537 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.859 -3.124 -4.817 1.00 0.00 H new ATOM 0 HE ARG A 54 7.773 -5.616 -5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.028 -2.592 -7.236 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.648 -3.484 -8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.494 -6.656 -7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.329 -5.857 -8.710 1.00 0.00 H new ATOM 709 N PHE A 55 4.284 -3.604 -1.031 1.00 0.00 N ATOM 710 CA PHE A 55 3.997 -2.808 0.152 1.00 0.00 C ATOM 711 C PHE A 55 3.653 -3.782 1.266 1.00 0.00 C ATOM 712 O PHE A 55 4.083 -3.553 2.400 1.00 0.00 O ATOM 713 CB PHE A 55 2.756 -1.958 -0.118 1.00 0.00 C ATOM 714 CG PHE A 55 2.889 -0.862 -1.146 1.00 0.00 C ATOM 715 CD1 PHE A 55 4.131 -0.447 -1.659 1.00 0.00 C ATOM 716 CD2 PHE A 55 1.713 -0.280 -1.619 1.00 0.00 C ATOM 717 CE1 PHE A 55 4.113 0.569 -2.620 1.00 0.00 C ATOM 718 CE2 PHE A 55 1.676 0.730 -2.595 1.00 0.00 C ATOM 719 CZ PHE A 55 2.934 1.155 -3.071 1.00 0.00 C ATOM 0 H PHE A 55 3.508 -3.556 -1.691 1.00 0.00 H new ATOM 0 HA PHE A 55 4.844 -2.172 0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.952 -2.623 -0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.444 -1.504 0.823 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.057 -0.893 -1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.775 -0.626 -1.211 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.052 0.913 -3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.749 1.151 -2.956 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.983 1.951 -3.800 1.00 0.00 H new ATOM 729 N GLU A 56 2.923 -4.872 1.057 1.00 0.00 N ATOM 730 CA GLU A 56 2.607 -5.780 2.155 1.00 0.00 C ATOM 731 C GLU A 56 3.913 -6.314 2.736 1.00 0.00 C ATOM 732 O GLU A 56 3.959 -6.667 3.911 1.00 0.00 O ATOM 733 CB GLU A 56 1.611 -6.811 1.657 1.00 0.00 C ATOM 734 CG GLU A 56 1.155 -7.638 2.857 1.00 0.00 C ATOM 735 CD GLU A 56 -0.150 -8.389 2.710 1.00 0.00 C ATOM 736 OE1 GLU A 56 -0.838 -8.346 1.662 1.00 0.00 O ATOM 737 OE2 GLU A 56 -0.646 -8.969 3.705 1.00 0.00 O ATOM 0 H GLU A 56 2.543 -5.147 0.151 1.00 0.00 H new ATOM 0 HA GLU A 56 2.109 -5.292 2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.759 -6.322 1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.069 -7.452 0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.938 -8.360 3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.069 -6.972 3.716 1.00 0.00 H new ATOM 744 N SER A 57 4.951 -6.491 1.912 1.00 0.00 N ATOM 745 CA SER A 57 5.890 -7.578 2.061 1.00 0.00 C ATOM 746 C SER A 57 7.293 -7.172 2.467 1.00 0.00 C ATOM 747 O SER A 57 8.088 -8.036 2.802 1.00 0.00 O ATOM 748 CB SER A 57 6.039 -8.348 0.762 1.00 0.00 C ATOM 749 OG SER A 57 6.404 -7.457 -0.281 1.00 0.00 O ATOM 0 H SER A 57 5.153 -5.876 1.124 1.00 0.00 H new ATOM 0 HA SER A 57 5.456 -8.174 2.864 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.796 -9.124 0.872 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.103 -8.849 0.515 1.00 0.00 H new ATOM 0 HG SER A 57 5.596 -7.112 -0.714 1.00 0.00 H new ATOM 755 N GLY A 58 7.588 -5.871 2.519 1.00 0.00 N ATOM 756 CA GLY A 58 8.899 -5.307 2.813 1.00 0.00 C ATOM 757 C GLY A 58 9.864 -5.312 1.636 1.00 0.00 C ATOM 758 O GLY A 58 11.068 -5.098 1.710 1.00 0.00 O ATOM 0 H GLY A 58 6.884 -5.153 2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.771 -4.281 3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.345 -5.866 3.635 1.00 0.00 H new ATOM 762 N LYS A 59 9.382 -5.459 0.397 1.00 0.00 N ATOM 763 CA LYS A 59 10.198 -5.552 -0.784 1.00 0.00 C ATOM 764 C LYS A 59 10.338 -4.235 -1.537 1.00 0.00 C ATOM 765 O LYS A 59 10.430 -4.257 -2.769 1.00 0.00 O ATOM 766 CB LYS A 59 9.753 -6.772 -1.585 1.00 0.00 C ATOM 767 CG LYS A 59 10.026 -8.123 -0.935 1.00 0.00 C ATOM 768 CD LYS A 59 9.233 -9.256 -1.588 1.00 0.00 C ATOM 769 CE LYS A 59 9.571 -10.609 -0.967 1.00 0.00 C ATOM 770 NZ LYS A 59 8.871 -11.730 -1.613 1.00 0.00 N ATOM 0 H LYS A 59 8.383 -5.516 0.200 1.00 0.00 H new ATOM 0 HA LYS A 59 11.240 -5.728 -0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.683 -6.690 -1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.250 -6.749 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.091 -8.345 -0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.774 -8.071 0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.166 -9.062 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.447 -9.282 -2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.647 -10.774 -1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.315 -10.590 0.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.140 -12.621 -1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.844 -11.592 -1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.134 -11.770 -2.618 1.00 0.00 H new ATOM 784 N LEU A 60 10.355 -3.127 -0.773 1.00 0.00 N ATOM 785 CA LEU A 60 10.440 -1.739 -1.142 1.00 0.00 C ATOM 786 C LEU A 60 11.528 -1.039 -0.321 1.00 0.00 C ATOM 787 O LEU A 60 11.468 -0.988 0.899 1.00 0.00 O ATOM 788 CB LEU A 60 9.137 -0.969 -0.993 1.00 0.00 C ATOM 789 CG LEU A 60 9.111 0.536 -1.279 1.00 0.00 C ATOM 790 CD1 LEU A 60 9.351 1.019 -2.711 1.00 0.00 C ATOM 791 CD2 LEU A 60 7.803 1.169 -0.829 1.00 0.00 C ATOM 0 H LEU A 60 10.302 -3.218 0.241 1.00 0.00 H new ATOM 0 HA LEU A 60 10.685 -1.737 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.404 -1.438 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.788 -1.113 0.030 1.00 0.00 H new ATOM 0 HG LEU A 60 9.981 0.854 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.299 2.107 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.336 0.693 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.589 0.601 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.821 2.237 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.972 0.704 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.677 1.021 0.243 1.00 0.00 H new ATOM 803 N LYS A 61 12.426 -0.316 -0.999 1.00 0.00 N ATOM 804 CA LYS A 61 13.353 0.582 -0.356 1.00 0.00 C ATOM 805 C LYS A 61 12.792 1.996 -0.548 1.00 0.00 C ATOM 806 O LYS A 61 12.775 2.412 -1.696 1.00 0.00 O ATOM 807 CB LYS A 61 14.744 0.344 -0.929 1.00 0.00 C ATOM 808 CG LYS A 61 15.427 -0.974 -0.604 1.00 0.00 C ATOM 809 CD LYS A 61 16.929 -1.014 -0.878 1.00 0.00 C ATOM 810 CE LYS A 61 17.332 -2.416 -0.434 1.00 0.00 C ATOM 811 NZ LYS A 61 18.751 -2.624 -0.799 1.00 0.00 N ATOM 0 H LYS A 61 12.519 -0.347 -2.014 1.00 0.00 H new ATOM 0 HA LYS A 61 13.461 0.420 0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.679 0.429 -2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.391 1.151 -0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.260 -1.201 0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 61 14.948 -1.765 -1.181 1.00 0.00 H new ATOM 0 HD2 LYS A 61 17.150 -0.847 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.461 -0.246 -0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 61 17.195 -2.529 0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.702 -3.164 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 19.049 -3.576 -0.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 18.862 -2.529 -1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 19.340 -1.914 -0.320 1.00 0.00 H new ATOM 825 N PRO A 62 12.169 2.617 0.456 1.00 0.00 N ATOM 826 CA PRO A 62 11.500 3.868 0.174 1.00 0.00 C ATOM 827 C PRO A 62 12.468 5.046 0.131 1.00 0.00 C ATOM 828 O PRO A 62 13.624 4.957 0.555 1.00 0.00 O ATOM 829 CB PRO A 62 10.485 3.948 1.316 1.00 0.00 C ATOM 830 CG PRO A 62 11.260 3.377 2.500 1.00 0.00 C ATOM 831 CD PRO A 62 11.857 2.154 1.785 1.00 0.00 C ATOM 0 HA PRO A 62 11.033 3.911 -0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.164 4.973 1.500 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.588 3.366 1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.019 4.060 2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.619 3.109 3.340 1.00 0.00 H new ATOM 0 HD2 PRO A 62 12.749 1.793 2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.148 1.327 1.759 1.00 0.00 H new ATOM 839 N THR A 63 12.006 6.241 -0.223 1.00 0.00 N ATOM 840 CA THR A 63 12.803 7.444 -0.275 1.00 0.00 C ATOM 841 C THR A 63 12.006 8.636 0.257 1.00 0.00 C ATOM 842 O THR A 63 10.901 8.420 0.763 1.00 0.00 O ATOM 843 CB THR A 63 13.253 7.666 -1.713 1.00 0.00 C ATOM 844 OG1 THR A 63 12.144 7.732 -2.573 1.00 0.00 O ATOM 845 CG2 THR A 63 14.287 6.662 -2.197 1.00 0.00 C ATOM 0 H THR A 63 11.033 6.395 -0.489 1.00 0.00 H new ATOM 0 HA THR A 63 13.683 7.340 0.359 1.00 0.00 H new ATOM 0 HB THR A 63 13.766 8.628 -1.730 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.435 8.033 -3.459 1.00 0.00 H new ATOM 0 HG21 THR A 63 14.557 6.886 -3.229 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.175 6.723 -1.568 1.00 0.00 H new ATOM 0 HG23 THR A 63 13.871 5.656 -2.141 1.00 0.00 H new ATOM 853 N ILE A 64 12.607 9.812 0.398 1.00 0.00 N ATOM 854 CA ILE A 64 11.981 10.943 1.070 1.00 0.00 C ATOM 855 C ILE A 64 10.721 11.472 0.417 1.00 0.00 C ATOM 856 O ILE A 64 9.853 11.962 1.130 1.00 0.00 O ATOM 857 CB ILE A 64 12.969 12.057 1.383 1.00 0.00 C ATOM 858 CG1 ILE A 64 13.442 12.924 0.236 1.00 0.00 C ATOM 859 CG2 ILE A 64 14.189 11.413 2.049 1.00 0.00 C ATOM 860 CD1 ILE A 64 12.544 14.130 -0.031 1.00 0.00 C ATOM 0 H ILE A 64 13.545 10.008 0.048 1.00 0.00 H new ATOM 0 HA ILE A 64 11.641 10.523 2.016 1.00 0.00 H new ATOM 0 HB ILE A 64 12.418 12.752 2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 64 14.452 13.274 0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 64 13.499 12.317 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.922 12.184 2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 64 13.880 10.909 2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 64 14.635 10.688 1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 64 12.945 14.705 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 64 11.538 13.788 -0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 64 12.507 14.760 0.858 1.00 0.00 H new ATOM 872 N SER A 65 10.404 11.508 -0.873 1.00 0.00 N ATOM 873 CA SER A 65 9.075 11.607 -1.463 1.00 0.00 C ATOM 874 C SER A 65 8.149 10.498 -1.017 1.00 0.00 C ATOM 875 O SER A 65 7.014 10.803 -0.649 1.00 0.00 O ATOM 876 CB SER A 65 9.220 11.679 -2.986 1.00 0.00 C ATOM 877 OG SER A 65 9.895 10.518 -3.385 1.00 0.00 O ATOM 0 H SER A 65 11.128 11.465 -1.590 1.00 0.00 H new ATOM 0 HA SER A 65 8.598 12.520 -1.106 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.243 11.741 -3.465 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.776 12.569 -3.279 1.00 0.00 H new ATOM 0 HG SER A 65 10.008 10.523 -4.358 1.00 0.00 H new ATOM 883 N GLN A 66 8.570 9.237 -1.172 1.00 0.00 N ATOM 884 CA GLN A 66 7.791 8.037 -0.999 1.00 0.00 C ATOM 885 C GLN A 66 7.307 7.683 0.399 1.00 0.00 C ATOM 886 O GLN A 66 6.166 7.246 0.518 1.00 0.00 O ATOM 887 CB GLN A 66 8.538 6.838 -1.581 1.00 0.00 C ATOM 888 CG GLN A 66 9.016 6.798 -3.027 1.00 0.00 C ATOM 889 CD GLN A 66 9.625 5.480 -3.496 1.00 0.00 C ATOM 890 OE1 GLN A 66 9.061 4.401 -3.622 1.00 0.00 O ATOM 891 NE2 GLN A 66 10.948 5.422 -3.590 1.00 0.00 N ATOM 0 H GLN A 66 9.532 9.030 -1.440 1.00 0.00 H new ATOM 0 HA GLN A 66 6.874 8.275 -1.538 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.418 6.685 -0.957 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.893 5.970 -1.441 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.172 7.035 -3.674 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.756 7.586 -3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.504 6.272 -3.498 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.409 4.527 -3.754 1.00 0.00 H new ATOM 900 N ALA A 67 8.076 7.929 1.471 1.00 0.00 N ATOM 901 CA ALA A 67 7.762 7.992 2.874 1.00 0.00 C ATOM 902 C ALA A 67 6.370 8.486 3.235 1.00 0.00 C ATOM 903 O ALA A 67 5.495 7.718 3.604 1.00 0.00 O ATOM 904 CB ALA A 67 8.885 8.688 3.644 1.00 0.00 C ATOM 0 H ALA A 67 9.070 8.112 1.332 1.00 0.00 H new ATOM 0 HA ALA A 67 7.710 6.954 3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.630 8.727 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.814 8.133 3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.012 9.702 3.264 1.00 0.00 H new ATOM 910 N ARG A 68 6.214 9.798 3.069 1.00 0.00 N ATOM 911 CA ARG A 68 4.951 10.496 3.184 1.00 0.00 C ATOM 912 C ARG A 68 3.901 9.921 2.252 1.00 0.00 C ATOM 913 O ARG A 68 2.724 10.005 2.594 1.00 0.00 O ATOM 914 CB ARG A 68 5.169 11.978 2.940 1.00 0.00 C ATOM 915 CG ARG A 68 6.156 12.658 3.875 1.00 0.00 C ATOM 916 CD ARG A 68 5.810 12.715 5.364 1.00 0.00 C ATOM 917 NE ARG A 68 5.779 11.425 6.053 1.00 0.00 N ATOM 918 CZ ARG A 68 6.804 10.760 6.607 1.00 0.00 C ATOM 919 NH1 ARG A 68 8.054 11.242 6.632 1.00 0.00 N ATOM 920 NH2 ARG A 68 6.552 9.547 7.088 1.00 0.00 N ATOM 0 H ARG A 68 6.993 10.417 2.844 1.00 0.00 H new ATOM 0 HA ARG A 68 4.568 10.360 4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.515 12.112 1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.209 12.487 3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.116 12.151 3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.297 13.681 3.525 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.536 13.357 5.864 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.835 13.190 5.475 1.00 0.00 H new ATOM 0 HE ARG A 68 4.866 10.976 6.121 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.258 12.152 6.218 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.801 10.699 7.065 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.610 9.160 7.027 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.300 9.003 7.518 1.00 0.00 H new ATOM 934 N GLN A 69 4.234 9.473 1.035 1.00 0.00 N ATOM 935 CA GLN A 69 3.172 8.953 0.200 1.00 0.00 C ATOM 936 C GLN A 69 2.730 7.569 0.648 1.00 0.00 C ATOM 937 O GLN A 69 1.544 7.346 0.339 1.00 0.00 O ATOM 938 CB GLN A 69 3.670 8.890 -1.249 1.00 0.00 C ATOM 939 CG GLN A 69 3.881 10.163 -2.050 1.00 0.00 C ATOM 940 CD GLN A 69 4.706 9.803 -3.269 1.00 0.00 C ATOM 941 OE1 GLN A 69 6.004 10.083 -3.256 1.00 0.00 O flip ATOM 942 NE2 GLN A 69 4.221 9.160 -4.204 1.00 0.00 N flip ATOM 0 H GLN A 69 5.172 9.462 0.635 1.00 0.00 H new ATOM 0 HA GLN A 69 2.311 9.617 0.282 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.620 8.355 -1.239 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.963 8.274 -1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.924 10.592 -2.348 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.393 10.914 -1.449 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.224 8.946 -4.212 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.817 8.843 -4.968 1.00 0.00 H new ATOM 951 N LEU A 70 3.545 6.751 1.306 1.00 0.00 N ATOM 952 CA LEU A 70 3.154 5.404 1.664 1.00 0.00 C ATOM 953 C LEU A 70 2.079 5.504 2.744 1.00 0.00 C ATOM 954 O LEU A 70 1.094 4.788 2.594 1.00 0.00 O ATOM 955 CB LEU A 70 4.384 4.710 2.253 1.00 0.00 C ATOM 956 CG LEU A 70 5.217 4.163 1.103 1.00 0.00 C ATOM 957 CD1 LEU A 70 6.673 3.994 1.514 1.00 0.00 C ATOM 958 CD2 LEU A 70 4.549 2.898 0.579 1.00 0.00 C ATOM 0 H LEU A 70 4.487 7.006 1.602 1.00 0.00 H new ATOM 0 HA LEU A 70 2.777 4.851 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.969 5.413 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.082 3.903 2.921 1.00 0.00 H new ATOM 0 HG LEU A 70 5.253 4.870 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.245 3.602 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.081 4.960 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.736 3.299 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.134 2.493 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.490 2.160 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.544 3.135 0.229 1.00 0.00 H new ATOM 970 N GLU A 71 2.217 6.403 3.722 1.00 0.00 N ATOM 971 CA GLU A 71 1.094 6.742 4.576 1.00 0.00 C ATOM 972 C GLU A 71 -0.189 7.218 3.904 1.00 0.00 C ATOM 973 O GLU A 71 -1.316 6.875 4.215 1.00 0.00 O ATOM 974 CB GLU A 71 1.489 7.892 5.507 1.00 0.00 C ATOM 975 CG GLU A 71 2.495 7.556 6.608 1.00 0.00 C ATOM 976 CD GLU A 71 2.865 8.774 7.439 1.00 0.00 C ATOM 977 OE1 GLU A 71 3.287 9.803 6.868 1.00 0.00 O ATOM 978 OE2 GLU A 71 2.489 8.810 8.635 1.00 0.00 O ATOM 0 H GLU A 71 3.083 6.898 3.934 1.00 0.00 H new ATOM 0 HA GLU A 71 0.876 5.790 5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.902 8.697 4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.584 8.279 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.076 6.788 7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.396 7.137 6.159 1.00 0.00 H new ATOM 985 N LYS A 72 -0.073 8.006 2.835 1.00 0.00 N ATOM 986 CA LYS A 72 -1.159 8.745 2.204 1.00 0.00 C ATOM 987 C LYS A 72 -1.925 7.974 1.136 1.00 0.00 C ATOM 988 O LYS A 72 -3.048 8.382 0.867 1.00 0.00 O ATOM 989 CB LYS A 72 -0.583 10.064 1.705 1.00 0.00 C ATOM 990 CG LYS A 72 -0.507 10.920 2.957 1.00 0.00 C ATOM 991 CD LYS A 72 -0.146 12.345 2.543 1.00 0.00 C ATOM 992 CE LYS A 72 -0.208 13.224 3.786 1.00 0.00 C ATOM 993 NZ LYS A 72 0.066 14.648 3.501 1.00 0.00 N ATOM 0 H LYS A 72 0.822 8.151 2.367 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.934 8.929 2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.400 9.927 1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.221 10.519 0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.461 10.908 3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.241 10.523 3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.852 12.374 2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.838 12.709 1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.195 13.133 4.239 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.513 12.860 4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.010 15.196 4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.018 14.744 3.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.637 15.008 2.825 1.00 0.00 H new ATOM 1007 N ILE A 73 -1.333 7.095 0.323 1.00 0.00 N ATOM 1008 CA ILE A 73 -2.003 6.407 -0.754 1.00 0.00 C ATOM 1009 C ILE A 73 -3.076 5.530 -0.129 1.00 0.00 C ATOM 1010 O ILE A 73 -4.230 5.557 -0.530 1.00 0.00 O ATOM 1011 CB ILE A 73 -1.011 5.664 -1.662 1.00 0.00 C ATOM 1012 CG1 ILE A 73 -0.132 4.706 -0.876 1.00 0.00 C ATOM 1013 CG2 ILE A 73 -0.290 6.735 -2.483 1.00 0.00 C ATOM 1014 CD1 ILE A 73 1.111 4.276 -1.647 1.00 0.00 C ATOM 0 H ILE A 73 -0.348 6.844 0.408 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.488 7.107 -1.434 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.505 4.988 -2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.171 5.181 0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.713 3.823 -0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.430 6.260 -3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.017 7.292 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.232 7.418 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.700 3.592 -1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.813 3.774 -2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.710 5.154 -1.890 1.00 0.00 H new ATOM 1026 N LEU A 74 -2.697 4.851 0.948 1.00 0.00 N ATOM 1027 CA LEU A 74 -3.570 4.110 1.844 1.00 0.00 C ATOM 1028 C LEU A 74 -4.470 5.006 2.650 1.00 0.00 C ATOM 1029 O LEU A 74 -5.647 4.685 2.850 1.00 0.00 O ATOM 1030 CB LEU A 74 -2.701 3.202 2.706 1.00 0.00 C ATOM 1031 CG LEU A 74 -3.574 2.221 3.474 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -4.491 1.359 2.585 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -2.652 1.289 4.255 1.00 0.00 C ATOM 0 H LEU A 74 -1.719 4.802 1.233 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.258 3.498 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.995 2.659 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.114 3.801 3.402 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.229 2.811 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.079 0.688 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.161 2.006 2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.883 0.773 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.251 0.572 4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.003 0.755 3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.043 1.874 4.945 1.00 0.00 H new ATOM 1045 N GLY A 75 -4.015 6.252 2.821 1.00 0.00 N ATOM 1046 CA GLY A 75 -4.657 7.255 3.653 1.00 0.00 C ATOM 1047 C GLY A 75 -4.731 6.976 5.149 1.00 0.00 C ATOM 1048 O GLY A 75 -5.053 7.849 5.949 1.00 0.00 O ATOM 0 H GLY A 75 -3.166 6.592 2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.130 8.199 3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.673 7.399 3.286 1.00 0.00 H new ATOM 1052 N ILE A 76 -4.589 5.694 5.510 1.00 0.00 N ATOM 1053 CA ILE A 76 -4.838 5.127 6.821 1.00 0.00 C ATOM 1054 C ILE A 76 -3.786 4.176 7.370 1.00 0.00 C ATOM 1055 O ILE A 76 -2.784 3.947 6.706 1.00 0.00 O ATOM 1056 CB ILE A 76 -6.197 4.429 6.864 1.00 0.00 C ATOM 1057 CG1 ILE A 76 -6.241 3.203 5.948 1.00 0.00 C ATOM 1058 CG2 ILE A 76 -7.292 5.475 6.658 1.00 0.00 C ATOM 1059 CD1 ILE A 76 -7.425 2.246 6.064 1.00 0.00 C ATOM 0 H ILE A 76 -4.276 4.988 4.843 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.806 6.001 7.472 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.382 3.991 7.845 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.202 3.558 4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.332 2.627 6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.268 4.990 6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.235 6.222 7.449 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.155 5.959 5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.306 1.432 5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.466 1.839 7.074 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.349 2.783 5.852 1.00 0.00 H new ATOM 1071 N LYS A 77 -3.889 3.704 8.616 1.00 0.00 N ATOM 1072 CA LYS A 77 -2.904 2.945 9.361 1.00 0.00 C ATOM 1073 C LYS A 77 -3.627 1.985 10.291 1.00 0.00 C ATOM 1074 O LYS A 77 -4.750 2.346 10.593 1.00 0.00 O ATOM 1075 CB LYS A 77 -1.822 3.803 10.018 1.00 0.00 C ATOM 1076 CG LYS A 77 -2.307 4.896 10.961 1.00 0.00 C ATOM 1077 CD LYS A 77 -1.106 5.675 11.497 1.00 0.00 C ATOM 1078 CE LYS A 77 -1.407 6.935 12.316 1.00 0.00 C ATOM 1079 NZ LYS A 77 -1.666 6.637 13.729 1.00 0.00 N ATOM 0 H LYS A 77 -4.734 3.860 9.165 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.314 2.348 8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.153 3.145 10.573 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.230 4.269 9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.986 5.569 10.437 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.867 4.457 11.786 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.513 5.001 12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.482 5.962 10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.565 7.623 12.241 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.272 7.443 11.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.864 7.521 14.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.486 6.002 13.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.832 6.176 14.145 1.00 0.00 H new ATOM 1093 N LEU A 78 -2.955 0.987 10.886 1.00 0.00 N ATOM 1094 CA LEU A 78 -3.335 0.237 12.063 1.00 0.00 C ATOM 1095 C LEU A 78 -2.137 -0.138 12.930 1.00 0.00 C ATOM 1096 O LEU A 78 -0.993 -0.080 12.480 1.00 0.00 O ATOM 1097 CB LEU A 78 -4.217 -0.950 11.671 1.00 0.00 C ATOM 1098 CG LEU A 78 -5.701 -0.718 11.450 1.00 0.00 C ATOM 1099 CD1 LEU A 78 -6.593 -1.943 11.253 1.00 0.00 C ATOM 1100 CD2 LEU A 78 -6.304 0.119 12.579 1.00 0.00 C ATOM 0 H LEU A 78 -2.060 0.668 10.515 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.938 0.880 12.704 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.809 -1.375 10.754 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.114 -1.708 12.447 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.700 -0.201 10.491 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.624 -1.622 11.107 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.259 -2.500 10.378 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.533 -2.582 12.134 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.368 0.268 12.393 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.171 -0.400 13.528 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.804 1.086 12.622 1.00 0.00 H new