USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 732 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 99 LYS NZ :NH3+ -157:sc= 0.162 (180deg=0) USER MOD Set 1.2: A 101 ASN : amide:sc= 0.13 K(o=0.29,f=-3) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 151:sc= 0.671 USER MOD Single : A 46 ASN : amide:sc= 1.32 K(o=1.3,f=-8!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= -0.142 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0297 USER MOD Single : A 53 ASN : amide:sc= -0.176 K(o=-0.18,f=-0.81) USER MOD Single : A 55 TYR OH : rot 180:sc= 0.00392 USER MOD Single : A 62 GLN : amide:sc= -0.346 K(o=-0.35,f=-3.2!) USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= 2.24 (180deg=2.11) USER MOD Single : A 72 THR OG1 : rot 118:sc= 0.212 USER MOD Single : A 74 LYS NZ :NH3+ -149:sc= 2.52 (180deg=0.356) USER MOD Single : A 77 SER OG : rot 7:sc= 0.169 USER MOD Single : A 79 THR OG1 : rot -150:sc= -0.514 USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= 0.608 (180deg=-0.0322) USER MOD Single : A 83 THR OG1 : rot 78:sc= -0.605 USER MOD Single : A 89 THR OG1 : rot 49:sc= 0.739 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 105 LYS NZ :NH3+ 176:sc= 0.775 (180deg=0.704) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 119:sc= 0.271 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0758) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 101 N SER A 33 12.382 4.217 1.800 1.00 0.00 N ATOM 102 CA SER A 33 11.865 3.739 3.121 1.00 0.00 C ATOM 103 C SER A 33 10.837 2.611 2.946 1.00 0.00 C ATOM 104 O SER A 33 10.128 2.276 3.875 1.00 0.00 O ATOM 105 CB SER A 33 11.192 4.962 3.732 1.00 0.00 C ATOM 106 OG SER A 33 12.145 5.701 4.483 1.00 0.00 O ATOM 0 HA SER A 33 12.664 3.334 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.768 5.587 2.946 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.367 4.654 4.374 1.00 0.00 H new ATOM 0 HG SER A 33 11.713 6.489 4.875 1.00 0.00 H new ATOM 112 N TYR A 34 10.740 2.046 1.759 1.00 0.00 N ATOM 113 CA TYR A 34 9.748 0.952 1.475 1.00 0.00 C ATOM 114 C TYR A 34 8.320 1.504 1.555 1.00 0.00 C ATOM 115 O TYR A 34 7.576 1.445 0.596 1.00 0.00 O ATOM 116 CB TYR A 34 9.976 -0.151 2.521 1.00 0.00 C ATOM 117 CG TYR A 34 8.956 -1.245 2.303 1.00 0.00 C ATOM 118 CD1 TYR A 34 9.106 -2.138 1.236 1.00 0.00 C ATOM 119 CD2 TYR A 34 7.852 -1.353 3.156 1.00 0.00 C ATOM 120 CE1 TYR A 34 8.152 -3.138 1.021 1.00 0.00 C ATOM 121 CE2 TYR A 34 6.898 -2.353 2.944 1.00 0.00 C ATOM 122 CZ TYR A 34 7.048 -3.247 1.874 1.00 0.00 C ATOM 123 OH TYR A 34 6.102 -4.229 1.657 1.00 0.00 O ATOM 0 H TYR A 34 11.319 2.304 0.960 1.00 0.00 H new ATOM 0 HA TYR A 34 9.883 0.549 0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.985 -0.553 2.432 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.883 0.258 3.527 1.00 0.00 H new ATOM 0 HD1 TYR A 34 9.959 -2.055 0.578 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.737 -0.663 3.979 1.00 0.00 H new ATOM 0 HE1 TYR A 34 8.267 -3.826 0.197 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.047 -2.437 3.603 1.00 0.00 H new ATOM 0 HH TYR A 34 5.688 -4.478 2.509 1.00 0.00 H new ATOM 133 N ARG A 35 7.944 2.061 2.680 1.00 0.00 N ATOM 134 CA ARG A 35 6.577 2.645 2.818 1.00 0.00 C ATOM 135 C ARG A 35 6.387 3.748 1.771 1.00 0.00 C ATOM 136 O ARG A 35 5.309 3.933 1.240 1.00 0.00 O ATOM 137 CB ARG A 35 6.530 3.225 4.237 1.00 0.00 C ATOM 138 CG ARG A 35 5.092 3.620 4.589 1.00 0.00 C ATOM 139 CD ARG A 35 4.434 2.499 5.401 1.00 0.00 C ATOM 140 NE ARG A 35 3.369 1.952 4.513 1.00 0.00 N ATOM 141 CZ ARG A 35 2.111 2.151 4.801 1.00 0.00 C ATOM 142 NH1 ARG A 35 1.510 1.384 5.675 1.00 0.00 N ATOM 143 NH2 ARG A 35 1.456 3.119 4.216 1.00 0.00 N ATOM 0 H ARG A 35 8.529 2.136 3.512 1.00 0.00 H new ATOM 0 HA ARG A 35 5.786 1.911 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.901 2.491 4.952 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.183 4.095 4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.089 4.547 5.162 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.522 3.806 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.158 1.729 5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.014 2.880 6.332 1.00 0.00 H new ATOM 0 HE ARG A 35 3.623 1.422 3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.024 0.631 6.131 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.527 1.540 5.900 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.928 3.716 3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.473 3.277 4.439 1.00 0.00 H new ATOM 157 N GLU A 36 7.442 4.466 1.455 1.00 0.00 N ATOM 158 CA GLU A 36 7.342 5.542 0.423 1.00 0.00 C ATOM 159 C GLU A 36 7.034 4.913 -0.938 1.00 0.00 C ATOM 160 O GLU A 36 6.195 5.393 -1.677 1.00 0.00 O ATOM 161 CB GLU A 36 8.717 6.220 0.415 1.00 0.00 C ATOM 162 CG GLU A 36 8.637 7.545 -0.350 1.00 0.00 C ATOM 163 CD GLU A 36 8.303 8.685 0.617 1.00 0.00 C ATOM 164 OE1 GLU A 36 7.277 8.599 1.274 1.00 0.00 O ATOM 165 OE2 GLU A 36 9.075 9.628 0.678 1.00 0.00 O ATOM 0 H GLU A 36 8.367 4.350 1.870 1.00 0.00 H new ATOM 0 HA GLU A 36 6.549 6.259 0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.050 6.399 1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.453 5.565 -0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.585 7.745 -0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.876 7.481 -1.127 1.00 0.00 H new ATOM 172 N ALA A 37 7.694 3.828 -1.260 1.00 0.00 N ATOM 173 CA ALA A 37 7.430 3.145 -2.561 1.00 0.00 C ATOM 174 C ALA A 37 6.031 2.517 -2.540 1.00 0.00 C ATOM 175 O ALA A 37 5.339 2.502 -3.537 1.00 0.00 O ATOM 176 CB ALA A 37 8.506 2.061 -2.675 1.00 0.00 C ATOM 0 H ALA A 37 8.405 3.387 -0.676 1.00 0.00 H new ATOM 0 HA ALA A 37 7.464 3.833 -3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.375 1.515 -3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.492 2.525 -2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.417 1.370 -1.836 1.00 0.00 H new ATOM 182 N VAL A 38 5.612 2.010 -1.403 1.00 0.00 N ATOM 183 CA VAL A 38 4.252 1.387 -1.302 1.00 0.00 C ATOM 184 C VAL A 38 3.169 2.448 -1.539 1.00 0.00 C ATOM 185 O VAL A 38 2.216 2.212 -2.257 1.00 0.00 O ATOM 186 CB VAL A 38 4.162 0.823 0.125 1.00 0.00 C ATOM 187 CG1 VAL A 38 2.767 0.233 0.366 1.00 0.00 C ATOM 188 CG2 VAL A 38 5.208 -0.281 0.313 1.00 0.00 C ATOM 0 H VAL A 38 6.154 2.001 -0.539 1.00 0.00 H new ATOM 0 HA VAL A 38 4.101 0.606 -2.048 1.00 0.00 H new ATOM 0 HB VAL A 38 4.346 1.630 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.710 -0.165 1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.016 1.012 0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.582 -0.568 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.140 -0.678 1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.025 -1.082 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.204 0.130 0.150 1.00 0.00 H new ATOM 198 N LEU A 39 3.312 3.613 -0.953 1.00 0.00 N ATOM 199 CA LEU A 39 2.293 4.689 -1.159 1.00 0.00 C ATOM 200 C LEU A 39 2.249 5.088 -2.638 1.00 0.00 C ATOM 201 O LEU A 39 1.192 5.281 -3.208 1.00 0.00 O ATOM 202 CB LEU A 39 2.762 5.868 -0.299 1.00 0.00 C ATOM 203 CG LEU A 39 2.300 5.661 1.145 1.00 0.00 C ATOM 204 CD1 LEU A 39 3.168 6.498 2.088 1.00 0.00 C ATOM 205 CD2 LEU A 39 0.835 6.091 1.280 1.00 0.00 C ATOM 0 H LEU A 39 4.089 3.864 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 39 1.290 4.364 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.848 5.950 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.358 6.801 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 39 2.395 4.607 1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.837 6.349 3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.209 6.190 1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.077 7.552 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.506 5.944 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.739 7.144 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.217 5.492 0.612 1.00 0.00 H new ATOM 217 N ARG A 40 3.395 5.199 -3.263 1.00 0.00 N ATOM 218 CA ARG A 40 3.427 5.571 -4.710 1.00 0.00 C ATOM 219 C ARG A 40 2.924 4.401 -5.564 1.00 0.00 C ATOM 220 O ARG A 40 2.215 4.593 -6.534 1.00 0.00 O ATOM 221 CB ARG A 40 4.897 5.874 -5.027 1.00 0.00 C ATOM 222 CG ARG A 40 5.121 7.389 -5.043 1.00 0.00 C ATOM 223 CD ARG A 40 4.737 7.955 -6.416 1.00 0.00 C ATOM 224 NE ARG A 40 3.253 8.123 -6.370 1.00 0.00 N ATOM 225 CZ ARG A 40 2.720 9.280 -6.053 1.00 0.00 C ATOM 226 NH1 ARG A 40 3.271 10.038 -5.137 1.00 0.00 N ATOM 227 NH2 ARG A 40 1.626 9.675 -6.649 1.00 0.00 N ATOM 0 H ARG A 40 4.308 5.048 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 40 2.787 6.427 -4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.543 5.409 -4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.166 5.447 -5.993 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.524 7.863 -4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.165 7.614 -4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.235 8.906 -6.603 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.032 7.278 -7.218 1.00 0.00 H new ATOM 0 HE ARG A 40 2.648 7.331 -6.587 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.121 9.730 -4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.850 10.936 -4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.190 9.085 -7.357 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.209 10.573 -6.406 1.00 0.00 H new ATOM 241 N ALA A 41 3.283 3.193 -5.200 1.00 0.00 N ATOM 242 CA ALA A 41 2.825 2.002 -5.975 1.00 0.00 C ATOM 243 C ALA A 41 1.315 1.814 -5.794 1.00 0.00 C ATOM 244 O ALA A 41 0.609 1.508 -6.732 1.00 0.00 O ATOM 245 CB ALA A 41 3.588 0.815 -5.383 1.00 0.00 C ATOM 0 H ALA A 41 3.875 2.983 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 41 3.013 2.107 -7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.302 -0.098 -5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.660 0.978 -5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.347 0.719 -4.324 1.00 0.00 H new ATOM 251 N VAL A 42 0.818 2.008 -4.593 1.00 0.00 N ATOM 252 CA VAL A 42 -0.648 1.851 -4.353 1.00 0.00 C ATOM 253 C VAL A 42 -1.420 2.891 -5.172 1.00 0.00 C ATOM 254 O VAL A 42 -2.409 2.576 -5.802 1.00 0.00 O ATOM 255 CB VAL A 42 -0.842 2.069 -2.841 1.00 0.00 C ATOM 256 CG1 VAL A 42 -2.270 2.548 -2.547 1.00 0.00 C ATOM 257 CG2 VAL A 42 -0.598 0.748 -2.106 1.00 0.00 C ATOM 0 H VAL A 42 1.366 2.268 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.020 0.872 -4.656 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.136 2.827 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.390 2.697 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.453 3.489 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.983 1.799 -2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.734 0.897 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.305 -0.002 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.419 0.407 -2.298 1.00 0.00 H new ATOM 267 N ASP A 43 -0.972 4.125 -5.178 1.00 0.00 N ATOM 268 CA ASP A 43 -1.685 5.174 -5.970 1.00 0.00 C ATOM 269 C ASP A 43 -1.608 4.846 -7.464 1.00 0.00 C ATOM 270 O ASP A 43 -2.579 4.977 -8.186 1.00 0.00 O ATOM 271 CB ASP A 43 -0.950 6.488 -5.669 1.00 0.00 C ATOM 272 CG ASP A 43 -1.768 7.333 -4.686 1.00 0.00 C ATOM 273 OD1 ASP A 43 -2.953 7.510 -4.922 1.00 0.00 O ATOM 274 OD2 ASP A 43 -1.191 7.792 -3.715 1.00 0.00 O ATOM 0 H ASP A 43 -0.148 4.448 -4.671 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.741 5.237 -5.708 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.033 6.276 -5.249 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.789 7.044 -6.593 1.00 0.00 H new ATOM 279 N ARG A 44 -0.463 4.407 -7.927 1.00 0.00 N ATOM 280 CA ARG A 44 -0.322 4.057 -9.371 1.00 0.00 C ATOM 281 C ARG A 44 -1.110 2.780 -9.671 1.00 0.00 C ATOM 282 O ARG A 44 -1.733 2.659 -10.705 1.00 0.00 O ATOM 283 CB ARG A 44 1.176 3.841 -9.598 1.00 0.00 C ATOM 284 CG ARG A 44 1.824 5.181 -9.952 1.00 0.00 C ATOM 285 CD ARG A 44 3.321 4.981 -10.195 1.00 0.00 C ATOM 286 NE ARG A 44 3.780 6.259 -10.812 1.00 0.00 N ATOM 287 CZ ARG A 44 4.377 6.252 -11.973 1.00 0.00 C ATOM 288 NH1 ARG A 44 3.702 5.955 -13.052 1.00 0.00 N ATOM 289 NH2 ARG A 44 5.647 6.550 -12.052 1.00 0.00 N ATOM 0 H ARG A 44 0.379 4.277 -7.366 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.711 4.836 -10.026 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.637 3.425 -8.702 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.335 3.122 -10.401 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.354 5.599 -10.842 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.669 5.896 -9.144 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.850 4.779 -9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.505 4.134 -10.856 1.00 0.00 H new ATOM 0 HE ARG A 44 3.627 7.142 -10.325 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.710 5.729 -12.987 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.168 5.949 -13.959 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.169 6.787 -11.208 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.117 6.545 -12.957 1.00 0.00 H new ATOM 303 N LEU A 45 -1.103 1.835 -8.762 1.00 0.00 N ATOM 304 CA LEU A 45 -1.869 0.572 -8.981 1.00 0.00 C ATOM 305 C LEU A 45 -3.360 0.892 -9.153 1.00 0.00 C ATOM 306 O LEU A 45 -4.067 0.218 -9.877 1.00 0.00 O ATOM 307 CB LEU A 45 -1.638 -0.261 -7.713 1.00 0.00 C ATOM 308 CG LEU A 45 -2.401 -1.588 -7.809 1.00 0.00 C ATOM 309 CD1 LEU A 45 -1.651 -2.662 -7.020 1.00 0.00 C ATOM 310 CD2 LEU A 45 -3.806 -1.419 -7.220 1.00 0.00 C ATOM 0 H LEU A 45 -0.598 1.886 -7.877 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.548 0.040 -9.877 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.573 -0.453 -7.584 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.970 0.296 -6.837 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.478 -1.885 -8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.191 -3.606 -7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.651 -2.786 -7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.576 -2.360 -5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.346 -2.363 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.729 -1.121 -6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.344 -0.652 -7.777 1.00 0.00 H new ATOM 322 N ASN A 46 -3.837 1.915 -8.485 1.00 0.00 N ATOM 323 CA ASN A 46 -5.279 2.289 -8.595 1.00 0.00 C ATOM 324 C ASN A 46 -5.568 2.974 -9.938 1.00 0.00 C ATOM 325 O ASN A 46 -6.546 2.668 -10.594 1.00 0.00 O ATOM 326 CB ASN A 46 -5.531 3.261 -7.438 1.00 0.00 C ATOM 327 CG ASN A 46 -5.877 2.476 -6.171 1.00 0.00 C ATOM 328 OD1 ASN A 46 -6.988 2.014 -6.014 1.00 0.00 O ATOM 329 ND2 ASN A 46 -4.968 2.305 -5.251 1.00 0.00 N ATOM 0 H ASN A 46 -3.285 2.509 -7.866 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.925 1.413 -8.546 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.647 3.875 -7.267 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.346 3.939 -7.691 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.192 1.784 -4.403 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.033 2.692 -5.380 1.00 0.00 H new ATOM 336 N GLU A 47 -4.739 3.903 -10.344 1.00 0.00 N ATOM 337 CA GLU A 47 -4.984 4.614 -11.640 1.00 0.00 C ATOM 338 C GLU A 47 -4.482 3.790 -12.840 1.00 0.00 C ATOM 339 O GLU A 47 -4.986 3.927 -13.940 1.00 0.00 O ATOM 340 CB GLU A 47 -4.223 5.947 -11.530 1.00 0.00 C ATOM 341 CG GLU A 47 -2.706 5.705 -11.478 1.00 0.00 C ATOM 342 CD GLU A 47 -2.106 5.774 -12.890 1.00 0.00 C ATOM 343 OE1 GLU A 47 -2.527 6.624 -13.661 1.00 0.00 O ATOM 344 OE2 GLU A 47 -1.228 4.976 -13.173 1.00 0.00 O ATOM 0 H GLU A 47 -3.905 4.200 -9.837 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.049 4.769 -11.810 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.466 6.581 -12.382 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.542 6.481 -10.635 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.234 6.450 -10.838 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.501 4.730 -11.036 1.00 0.00 H new ATOM 351 N GLN A 48 -3.502 2.941 -12.644 1.00 0.00 N ATOM 352 CA GLN A 48 -2.974 2.120 -13.781 1.00 0.00 C ATOM 353 C GLN A 48 -3.888 0.917 -14.056 1.00 0.00 C ATOM 354 O GLN A 48 -4.037 0.497 -15.188 1.00 0.00 O ATOM 355 CB GLN A 48 -1.587 1.649 -13.331 1.00 0.00 C ATOM 356 CG GLN A 48 -0.807 1.106 -14.534 1.00 0.00 C ATOM 357 CD GLN A 48 0.395 2.011 -14.820 1.00 0.00 C ATOM 358 OE1 GLN A 48 0.234 3.138 -15.244 1.00 0.00 O ATOM 359 NE2 GLN A 48 1.602 1.564 -14.603 1.00 0.00 N ATOM 0 H GLN A 48 -3.045 2.781 -11.747 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.929 2.695 -14.706 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.042 2.476 -12.876 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.685 0.875 -12.570 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.469 0.089 -14.332 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.455 1.059 -15.409 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.739 0.618 -14.247 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.408 2.161 -14.789 1.00 0.00 H new ATOM 368 N SER A 49 -4.494 0.358 -13.036 1.00 0.00 N ATOM 369 CA SER A 49 -5.389 -0.817 -13.252 1.00 0.00 C ATOM 370 C SER A 49 -6.651 -0.397 -14.010 1.00 0.00 C ATOM 371 O SER A 49 -7.012 0.766 -14.047 1.00 0.00 O ATOM 372 CB SER A 49 -5.748 -1.324 -11.854 1.00 0.00 C ATOM 373 OG SER A 49 -6.270 -2.645 -11.953 1.00 0.00 O ATOM 0 H SER A 49 -4.407 0.665 -12.067 1.00 0.00 H new ATOM 0 HA SER A 49 -4.903 -1.589 -13.848 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.866 -1.316 -11.214 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.482 -0.664 -11.393 1.00 0.00 H new ATOM 0 HG SER A 49 -6.500 -2.974 -11.059 1.00 0.00 H new ATOM 379 N SER A 50 -7.321 -1.342 -14.604 1.00 0.00 N ATOM 380 CA SER A 50 -8.568 -1.037 -15.365 1.00 0.00 C ATOM 381 C SER A 50 -9.781 -1.588 -14.608 1.00 0.00 C ATOM 382 O SER A 50 -10.673 -2.184 -15.186 1.00 0.00 O ATOM 383 CB SER A 50 -8.397 -1.738 -16.716 1.00 0.00 C ATOM 384 OG SER A 50 -7.858 -3.042 -16.514 1.00 0.00 O ATOM 0 H SER A 50 -7.056 -2.327 -14.596 1.00 0.00 H new ATOM 0 HA SER A 50 -8.731 0.033 -15.493 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.358 -1.806 -17.226 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.736 -1.156 -17.358 1.00 0.00 H new ATOM 0 HG SER A 50 -7.751 -3.489 -17.379 1.00 0.00 H new ATOM 390 N GLU A 51 -9.808 -1.400 -13.313 1.00 0.00 N ATOM 391 CA GLU A 51 -10.946 -1.915 -12.494 1.00 0.00 C ATOM 392 C GLU A 51 -12.066 -0.871 -12.392 1.00 0.00 C ATOM 393 O GLU A 51 -11.967 0.224 -12.919 1.00 0.00 O ATOM 394 CB GLU A 51 -10.348 -2.196 -11.113 1.00 0.00 C ATOM 395 CG GLU A 51 -9.330 -3.339 -11.208 1.00 0.00 C ATOM 396 CD GLU A 51 -10.059 -4.674 -11.381 1.00 0.00 C ATOM 397 OE1 GLU A 51 -10.467 -4.964 -12.495 1.00 0.00 O ATOM 398 OE2 GLU A 51 -10.190 -5.387 -10.399 1.00 0.00 O ATOM 0 H GLU A 51 -9.086 -0.909 -12.785 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.393 -2.805 -12.938 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.865 -1.298 -10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.139 -2.459 -10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.658 -3.170 -12.050 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.714 -3.365 -10.309 1.00 0.00 H new ATOM 405 N ALA A 52 -13.138 -1.214 -11.719 1.00 0.00 N ATOM 406 CA ALA A 52 -14.283 -0.267 -11.574 1.00 0.00 C ATOM 407 C ALA A 52 -14.197 0.507 -10.251 1.00 0.00 C ATOM 408 O ALA A 52 -14.538 1.671 -10.193 1.00 0.00 O ATOM 409 CB ALA A 52 -15.532 -1.150 -11.593 1.00 0.00 C ATOM 0 H ALA A 52 -13.267 -2.116 -11.262 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.290 0.480 -12.368 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.420 -0.526 -11.491 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.578 -1.695 -12.536 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.489 -1.859 -10.766 1.00 0.00 H new ATOM 415 N ASN A 53 -13.758 -0.128 -9.189 1.00 0.00 N ATOM 416 CA ASN A 53 -13.668 0.584 -7.875 1.00 0.00 C ATOM 417 C ASN A 53 -12.207 0.814 -7.468 1.00 0.00 C ATOM 418 O ASN A 53 -11.290 0.263 -8.050 1.00 0.00 O ATOM 419 CB ASN A 53 -14.366 -0.336 -6.869 1.00 0.00 C ATOM 420 CG ASN A 53 -15.602 0.372 -6.308 1.00 0.00 C ATOM 421 OD1 ASN A 53 -15.489 1.397 -5.665 1.00 0.00 O ATOM 422 ND2 ASN A 53 -16.787 -0.131 -6.528 1.00 0.00 N ATOM 0 H ASN A 53 -13.460 -1.103 -9.176 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.132 1.569 -7.922 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.655 -1.269 -7.352 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.682 -0.595 -6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.616 0.336 -6.160 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.884 -0.991 -7.067 1.00 0.00 H new ATOM 429 N LEU A 54 -11.994 1.631 -6.465 1.00 0.00 N ATOM 430 CA LEU A 54 -10.603 1.915 -5.996 1.00 0.00 C ATOM 431 C LEU A 54 -10.215 0.948 -4.869 1.00 0.00 C ATOM 432 O LEU A 54 -11.066 0.379 -4.211 1.00 0.00 O ATOM 433 CB LEU A 54 -10.645 3.352 -5.471 1.00 0.00 C ATOM 434 CG LEU A 54 -10.452 4.336 -6.629 1.00 0.00 C ATOM 435 CD1 LEU A 54 -10.770 5.753 -6.151 1.00 0.00 C ATOM 436 CD2 LEU A 54 -9.001 4.279 -7.116 1.00 0.00 C ATOM 0 H LEU A 54 -12.728 2.115 -5.949 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.868 1.791 -6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.598 3.540 -4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.865 3.498 -4.724 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.120 4.067 -7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.633 6.454 -6.974 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.803 5.797 -5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.101 6.020 -5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.866 4.980 -7.940 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.332 4.547 -6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.771 3.270 -7.457 1.00 0.00 H new ATOM 448 N TYR A 55 -8.938 0.765 -4.638 1.00 0.00 N ATOM 449 CA TYR A 55 -8.496 -0.162 -3.554 1.00 0.00 C ATOM 450 C TYR A 55 -7.373 0.476 -2.732 1.00 0.00 C ATOM 451 O TYR A 55 -6.202 0.333 -3.037 1.00 0.00 O ATOM 452 CB TYR A 55 -7.999 -1.418 -4.271 1.00 0.00 C ATOM 453 CG TYR A 55 -9.174 -2.314 -4.574 1.00 0.00 C ATOM 454 CD1 TYR A 55 -9.592 -3.263 -3.634 1.00 0.00 C ATOM 455 CD2 TYR A 55 -9.850 -2.191 -5.793 1.00 0.00 C ATOM 456 CE1 TYR A 55 -10.684 -4.089 -3.912 1.00 0.00 C ATOM 457 CE2 TYR A 55 -10.942 -3.017 -6.072 1.00 0.00 C ATOM 458 CZ TYR A 55 -11.360 -3.966 -5.133 1.00 0.00 C ATOM 459 OH TYR A 55 -12.437 -4.779 -5.411 1.00 0.00 O ATOM 0 H TYR A 55 -8.184 1.218 -5.154 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.303 -0.391 -2.858 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.487 -1.146 -5.194 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.276 -1.945 -3.648 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.070 -3.357 -2.693 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.528 -1.458 -6.518 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.007 -4.821 -3.187 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -11.464 -2.923 -7.013 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.790 -4.562 -6.299 1.00 0.00 H new ATOM 469 N ARG A 56 -7.728 1.173 -1.684 1.00 0.00 N ATOM 470 CA ARG A 56 -6.696 1.820 -0.822 1.00 0.00 C ATOM 471 C ARG A 56 -5.961 0.746 -0.013 1.00 0.00 C ATOM 472 O ARG A 56 -6.533 -0.267 0.349 1.00 0.00 O ATOM 473 CB ARG A 56 -7.479 2.758 0.103 1.00 0.00 C ATOM 474 CG ARG A 56 -6.509 3.562 0.972 1.00 0.00 C ATOM 475 CD ARG A 56 -6.496 2.985 2.391 1.00 0.00 C ATOM 476 NE ARG A 56 -5.447 3.754 3.114 1.00 0.00 N ATOM 477 CZ ARG A 56 -5.449 3.794 4.419 1.00 0.00 C ATOM 478 NH1 ARG A 56 -4.913 2.815 5.100 1.00 0.00 N ATOM 479 NH2 ARG A 56 -5.988 4.813 5.040 1.00 0.00 N ATOM 0 H ARG A 56 -8.692 1.322 -1.387 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.945 2.362 -1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.097 3.434 -0.488 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.154 2.180 0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.507 3.527 0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.809 4.610 0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.468 3.097 2.871 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.267 1.919 2.381 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.726 4.250 2.590 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.495 2.023 4.612 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.913 2.843 6.120 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.405 5.574 4.504 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.990 4.846 6.059 1.00 0.00 H new ATOM 493 N LEU A 57 -4.701 0.957 0.270 1.00 0.00 N ATOM 494 CA LEU A 57 -3.928 -0.056 1.053 1.00 0.00 C ATOM 495 C LEU A 57 -4.520 -0.206 2.457 1.00 0.00 C ATOM 496 O LEU A 57 -4.517 0.720 3.249 1.00 0.00 O ATOM 497 CB LEU A 57 -2.497 0.490 1.121 1.00 0.00 C ATOM 498 CG LEU A 57 -1.570 -0.565 1.736 1.00 0.00 C ATOM 499 CD1 LEU A 57 -0.254 -0.602 0.961 1.00 0.00 C ATOM 500 CD2 LEU A 57 -1.286 -0.212 3.198 1.00 0.00 C ATOM 0 H LEU A 57 -4.174 1.785 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.960 -1.043 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.151 0.754 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.473 1.401 1.718 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.053 -1.541 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.405 -1.352 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.452 -0.856 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.225 0.376 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.627 -0.964 3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.806 0.765 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.223 -0.186 3.755 1.00 0.00 H new ATOM 512 N LEU A 58 -5.019 -1.373 2.767 1.00 0.00 N ATOM 513 CA LEU A 58 -5.609 -1.617 4.114 1.00 0.00 C ATOM 514 C LEU A 58 -4.501 -2.013 5.096 1.00 0.00 C ATOM 515 O LEU A 58 -4.458 -1.548 6.219 1.00 0.00 O ATOM 516 CB LEU A 58 -6.592 -2.773 3.903 1.00 0.00 C ATOM 517 CG LEU A 58 -7.350 -3.048 5.200 1.00 0.00 C ATOM 518 CD1 LEU A 58 -8.599 -2.163 5.264 1.00 0.00 C ATOM 519 CD2 LEU A 58 -7.767 -4.520 5.244 1.00 0.00 C ATOM 0 H LEU A 58 -5.043 -2.175 2.137 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.103 -0.738 4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.293 -2.526 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.054 -3.667 3.588 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.705 -2.825 6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.138 -2.361 6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.304 -1.114 5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.245 -2.383 4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.308 -4.717 6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.411 -4.741 4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.879 -5.151 5.201 1.00 0.00 H new ATOM 531 N GLU A 59 -3.600 -2.864 4.671 1.00 0.00 N ATOM 532 CA GLU A 59 -2.482 -3.295 5.562 1.00 0.00 C ATOM 533 C GLU A 59 -1.202 -3.515 4.741 1.00 0.00 C ATOM 534 O GLU A 59 -1.251 -3.904 3.588 1.00 0.00 O ATOM 535 CB GLU A 59 -2.956 -4.606 6.201 1.00 0.00 C ATOM 536 CG GLU A 59 -3.330 -4.361 7.668 1.00 0.00 C ATOM 537 CD GLU A 59 -4.694 -4.993 7.968 1.00 0.00 C ATOM 538 OE1 GLU A 59 -4.719 -6.157 8.332 1.00 0.00 O ATOM 539 OE2 GLU A 59 -5.690 -4.301 7.830 1.00 0.00 O ATOM 0 H GLU A 59 -3.592 -3.280 3.740 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.244 -2.545 6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.816 -4.997 5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.170 -5.358 6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.570 -4.787 8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.362 -3.291 7.871 1.00 0.00 H new ATOM 546 N LEU A 60 -0.058 -3.268 5.329 1.00 0.00 N ATOM 547 CA LEU A 60 1.232 -3.458 4.598 1.00 0.00 C ATOM 548 C LEU A 60 1.999 -4.649 5.185 1.00 0.00 C ATOM 549 O LEU A 60 1.917 -4.936 6.367 1.00 0.00 O ATOM 550 CB LEU A 60 2.008 -2.155 4.817 1.00 0.00 C ATOM 551 CG LEU A 60 3.392 -2.250 4.165 1.00 0.00 C ATOM 552 CD1 LEU A 60 3.262 -2.095 2.648 1.00 0.00 C ATOM 553 CD2 LEU A 60 4.291 -1.138 4.715 1.00 0.00 C ATOM 0 H LEU A 60 0.038 -2.941 6.290 1.00 0.00 H new ATOM 0 HA LEU A 60 1.082 -3.668 3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.454 -1.317 4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.113 -1.960 5.884 1.00 0.00 H new ATOM 0 HG LEU A 60 3.830 -3.222 4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.248 -2.163 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.624 -2.886 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.821 -1.125 2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.276 -1.204 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.849 -0.168 4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.389 -1.250 5.795 1.00 0.00 H new ATOM 565 N ASP A 61 2.741 -5.341 4.363 1.00 0.00 N ATOM 566 CA ASP A 61 3.521 -6.516 4.850 1.00 0.00 C ATOM 567 C ASP A 61 5.009 -6.164 4.961 1.00 0.00 C ATOM 568 O ASP A 61 5.468 -5.183 4.405 1.00 0.00 O ATOM 569 CB ASP A 61 3.302 -7.598 3.788 1.00 0.00 C ATOM 570 CG ASP A 61 3.772 -8.951 4.326 1.00 0.00 C ATOM 571 OD1 ASP A 61 3.043 -9.542 5.107 1.00 0.00 O ATOM 572 OD2 ASP A 61 4.852 -9.375 3.948 1.00 0.00 O ATOM 0 H ASP A 61 2.841 -5.141 3.368 1.00 0.00 H new ATOM 0 HA ASP A 61 3.202 -6.841 5.840 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.247 -7.649 3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.850 -7.346 2.880 1.00 0.00 H new ATOM 577 N GLN A 62 5.765 -6.967 5.668 1.00 0.00 N ATOM 578 CA GLN A 62 7.228 -6.699 5.810 1.00 0.00 C ATOM 579 C GLN A 62 8.020 -7.780 5.056 1.00 0.00 C ATOM 580 O GLN A 62 8.391 -8.792 5.621 1.00 0.00 O ATOM 581 CB GLN A 62 7.505 -6.758 7.315 1.00 0.00 C ATOM 582 CG GLN A 62 8.894 -6.171 7.598 1.00 0.00 C ATOM 583 CD GLN A 62 9.700 -7.130 8.483 1.00 0.00 C ATOM 584 OE1 GLN A 62 9.361 -8.289 8.621 1.00 0.00 O ATOM 585 NE2 GLN A 62 10.766 -6.691 9.092 1.00 0.00 N ATOM 0 H GLN A 62 5.430 -7.799 6.154 1.00 0.00 H new ATOM 0 HA GLN A 62 7.524 -5.736 5.394 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.744 -6.199 7.859 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.455 -7.789 7.666 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.422 -5.998 6.660 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.795 -5.204 8.092 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.054 -5.719 8.979 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.312 -7.319 9.681 1.00 0.00 H new ATOM 594 N PRO A 63 8.232 -7.527 3.787 1.00 0.00 N ATOM 595 CA PRO A 63 8.964 -8.486 2.916 1.00 0.00 C ATOM 596 C PRO A 63 10.475 -8.470 3.200 1.00 0.00 C ATOM 597 O PRO A 63 10.960 -7.659 3.969 1.00 0.00 O ATOM 598 CB PRO A 63 8.678 -7.971 1.511 1.00 0.00 C ATOM 599 CG PRO A 63 8.383 -6.515 1.678 1.00 0.00 C ATOM 600 CD PRO A 63 7.808 -6.331 3.051 1.00 0.00 C ATOM 0 HA PRO A 63 8.649 -9.517 3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.533 -8.126 0.853 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.833 -8.495 1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.290 -5.923 1.559 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.679 -6.176 0.918 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.183 -5.422 3.520 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.722 -6.248 3.019 1.00 0.00 H new ATOM 608 N PRO A 64 11.170 -9.383 2.556 1.00 0.00 N ATOM 609 CA PRO A 64 12.644 -9.496 2.726 1.00 0.00 C ATOM 610 C PRO A 64 13.376 -8.313 2.077 1.00 0.00 C ATOM 611 O PRO A 64 13.080 -7.922 0.962 1.00 0.00 O ATOM 612 CB PRO A 64 12.987 -10.801 2.009 1.00 0.00 C ATOM 613 CG PRO A 64 11.887 -10.999 1.019 1.00 0.00 C ATOM 614 CD PRO A 64 10.650 -10.389 1.617 1.00 0.00 C ATOM 0 HA PRO A 64 12.945 -9.488 3.774 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.956 -10.737 1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.042 -11.634 2.710 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.132 -10.524 0.069 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.736 -12.059 0.816 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.019 -9.934 0.853 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.043 -11.136 2.128 1.00 0.00 H new ATOM 622 N LYS A 65 14.343 -7.760 2.775 1.00 0.00 N ATOM 623 CA LYS A 65 15.142 -6.607 2.238 1.00 0.00 C ATOM 624 C LYS A 65 14.241 -5.450 1.776 1.00 0.00 C ATOM 625 O LYS A 65 13.927 -5.321 0.607 1.00 0.00 O ATOM 626 CB LYS A 65 15.936 -7.180 1.057 1.00 0.00 C ATOM 627 CG LYS A 65 16.952 -8.213 1.561 1.00 0.00 C ATOM 628 CD LYS A 65 18.059 -7.514 2.358 1.00 0.00 C ATOM 629 CE LYS A 65 18.960 -6.718 1.405 1.00 0.00 C ATOM 630 NZ LYS A 65 20.324 -6.789 2.001 1.00 0.00 N ATOM 0 H LYS A 65 14.617 -8.064 3.709 1.00 0.00 H new ATOM 0 HA LYS A 65 15.790 -6.188 3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 65 15.257 -7.644 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.452 -6.377 0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.452 -8.951 2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 65 17.384 -8.751 0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 65 17.620 -6.847 3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 65 18.650 -8.251 2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 65 18.946 -7.145 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 65 18.623 -5.685 1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 20.964 -6.157 1.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 20.283 -6.495 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 20.678 -7.765 1.943 1.00 0.00 H new ATOM 644 N ALA A 66 13.845 -4.597 2.687 1.00 0.00 N ATOM 645 CA ALA A 66 12.990 -3.429 2.314 1.00 0.00 C ATOM 646 C ALA A 66 13.764 -2.133 2.578 1.00 0.00 C ATOM 647 O ALA A 66 14.109 -1.411 1.662 1.00 0.00 O ATOM 648 CB ALA A 66 11.750 -3.523 3.212 1.00 0.00 C ATOM 0 H ALA A 66 14.078 -4.660 3.678 1.00 0.00 H new ATOM 0 HA ALA A 66 12.709 -3.432 1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.077 -2.694 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.237 -4.466 3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.054 -3.475 4.258 1.00 0.00 H new ATOM 654 N ASP A 67 14.062 -1.852 3.821 1.00 0.00 N ATOM 655 CA ASP A 67 14.841 -0.620 4.154 1.00 0.00 C ATOM 656 C ASP A 67 16.340 -0.944 4.103 1.00 0.00 C ATOM 657 O ASP A 67 17.076 -0.706 5.043 1.00 0.00 O ATOM 658 CB ASP A 67 14.403 -0.236 5.572 1.00 0.00 C ATOM 659 CG ASP A 67 12.920 0.149 5.570 1.00 0.00 C ATOM 660 OD1 ASP A 67 12.626 1.293 5.265 1.00 0.00 O ATOM 661 OD2 ASP A 67 12.103 -0.708 5.868 1.00 0.00 O ATOM 0 H ASP A 67 13.798 -2.425 4.623 1.00 0.00 H new ATOM 0 HA ASP A 67 14.664 0.198 3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.571 -1.070 6.253 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.004 0.598 5.935 1.00 0.00 H new ATOM 666 N GLU A 68 16.784 -1.503 3.003 1.00 0.00 N ATOM 667 CA GLU A 68 18.222 -1.874 2.852 1.00 0.00 C ATOM 668 C GLU A 68 18.500 -2.293 1.402 1.00 0.00 C ATOM 669 O GLU A 68 17.645 -2.855 0.744 1.00 0.00 O ATOM 670 CB GLU A 68 18.419 -3.067 3.794 1.00 0.00 C ATOM 671 CG GLU A 68 19.876 -3.129 4.258 1.00 0.00 C ATOM 672 CD GLU A 68 20.100 -4.417 5.055 1.00 0.00 C ATOM 673 OE1 GLU A 68 20.107 -5.475 4.444 1.00 0.00 O ATOM 674 OE2 GLU A 68 20.260 -4.324 6.261 1.00 0.00 O ATOM 0 H GLU A 68 16.201 -1.720 2.194 1.00 0.00 H new ATOM 0 HA GLU A 68 18.894 -1.049 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.758 -2.974 4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.151 -3.992 3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.545 -3.099 3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.110 -2.261 4.874 1.00 0.00 H new ATOM 681 N ASP A 69 19.688 -2.025 0.905 1.00 0.00 N ATOM 682 CA ASP A 69 20.042 -2.407 -0.506 1.00 0.00 C ATOM 683 C ASP A 69 19.098 -1.718 -1.511 1.00 0.00 C ATOM 684 O ASP A 69 18.109 -2.290 -1.933 1.00 0.00 O ATOM 685 CB ASP A 69 19.896 -3.936 -0.564 1.00 0.00 C ATOM 686 CG ASP A 69 21.274 -4.577 -0.746 1.00 0.00 C ATOM 687 OD1 ASP A 69 21.780 -4.542 -1.855 1.00 0.00 O ATOM 688 OD2 ASP A 69 21.799 -5.091 0.227 1.00 0.00 O ATOM 0 H ASP A 69 20.433 -1.555 1.419 1.00 0.00 H new ATOM 0 HA ASP A 69 21.051 -2.093 -0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 69 19.432 -4.302 0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.241 -4.218 -1.388 1.00 0.00 H new ATOM 693 N PRO A 70 19.440 -0.496 -1.853 1.00 0.00 N ATOM 694 CA PRO A 70 18.623 0.302 -2.811 1.00 0.00 C ATOM 695 C PRO A 70 18.830 -0.155 -4.267 1.00 0.00 C ATOM 696 O PRO A 70 17.922 -0.076 -5.076 1.00 0.00 O ATOM 697 CB PRO A 70 19.140 1.725 -2.619 1.00 0.00 C ATOM 698 CG PRO A 70 20.537 1.573 -2.101 1.00 0.00 C ATOM 699 CD PRO A 70 20.611 0.252 -1.375 1.00 0.00 C ATOM 0 HA PRO A 70 17.554 0.197 -2.626 1.00 0.00 H new ATOM 0 HB2 PRO A 70 19.127 2.278 -3.558 1.00 0.00 H new ATOM 0 HB3 PRO A 70 18.518 2.278 -1.915 1.00 0.00 H new ATOM 0 HG2 PRO A 70 21.255 1.601 -2.921 1.00 0.00 H new ATOM 0 HG3 PRO A 70 20.788 2.394 -1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 70 21.538 -0.274 -1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 70 20.580 0.391 -0.294 1.00 0.00 H new ATOM 707 N GLY A 71 20.009 -0.621 -4.612 1.00 0.00 N ATOM 708 CA GLY A 71 20.259 -1.074 -6.018 1.00 0.00 C ATOM 709 C GLY A 71 19.376 -2.286 -6.331 1.00 0.00 C ATOM 710 O GLY A 71 18.774 -2.374 -7.384 1.00 0.00 O ATOM 0 H GLY A 71 20.806 -0.707 -3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 71 20.044 -0.265 -6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 71 21.310 -1.334 -6.146 1.00 0.00 H new ATOM 714 N THR A 72 19.292 -3.213 -5.412 1.00 0.00 N ATOM 715 CA THR A 72 18.446 -4.428 -5.619 1.00 0.00 C ATOM 716 C THR A 72 16.958 -4.041 -5.603 1.00 0.00 C ATOM 717 O THR A 72 16.570 -3.119 -4.906 1.00 0.00 O ATOM 718 CB THR A 72 18.782 -5.342 -4.428 1.00 0.00 C ATOM 719 OG1 THR A 72 20.192 -5.501 -4.333 1.00 0.00 O ATOM 720 CG2 THR A 72 18.133 -6.716 -4.614 1.00 0.00 C ATOM 0 H THR A 72 19.779 -3.180 -4.516 1.00 0.00 H new ATOM 0 HA THR A 72 18.636 -4.915 -6.575 1.00 0.00 H new ATOM 0 HB THR A 72 18.398 -4.885 -3.516 1.00 0.00 H new ATOM 0 HG1 THR A 72 20.506 -5.135 -3.480 1.00 0.00 H new ATOM 0 HG21 THR A 72 18.379 -7.353 -3.764 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.051 -6.601 -4.680 1.00 0.00 H new ATOM 0 HG23 THR A 72 18.506 -7.174 -5.530 1.00 0.00 H new ATOM 728 N PRO A 73 16.167 -4.761 -6.368 1.00 0.00 N ATOM 729 CA PRO A 73 14.706 -4.482 -6.430 1.00 0.00 C ATOM 730 C PRO A 73 14.054 -4.763 -5.070 1.00 0.00 C ATOM 731 O PRO A 73 14.543 -5.555 -4.287 1.00 0.00 O ATOM 732 CB PRO A 73 14.202 -5.440 -7.509 1.00 0.00 C ATOM 733 CG PRO A 73 15.215 -6.535 -7.543 1.00 0.00 C ATOM 734 CD PRO A 73 16.539 -5.890 -7.232 1.00 0.00 C ATOM 0 HA PRO A 73 14.470 -3.443 -6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.211 -5.824 -7.267 1.00 0.00 H new ATOM 0 HB3 PRO A 73 14.123 -4.942 -8.476 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.977 -7.308 -6.813 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.236 -7.016 -8.521 1.00 0.00 H new ATOM 0 HD2 PRO A 73 17.214 -6.580 -6.725 1.00 0.00 H new ATOM 0 HD3 PRO A 73 17.046 -5.555 -8.137 1.00 0.00 H new ATOM 742 N LYS A 74 12.965 -4.102 -4.780 1.00 0.00 N ATOM 743 CA LYS A 74 12.291 -4.303 -3.465 1.00 0.00 C ATOM 744 C LYS A 74 10.978 -5.078 -3.625 1.00 0.00 C ATOM 745 O LYS A 74 10.029 -4.571 -4.194 1.00 0.00 O ATOM 746 CB LYS A 74 12.013 -2.889 -2.945 1.00 0.00 C ATOM 747 CG LYS A 74 12.535 -2.759 -1.512 1.00 0.00 C ATOM 748 CD LYS A 74 13.752 -1.832 -1.493 1.00 0.00 C ATOM 749 CE LYS A 74 15.028 -2.640 -1.755 1.00 0.00 C ATOM 750 NZ LYS A 74 15.348 -3.314 -0.463 1.00 0.00 N ATOM 0 H LYS A 74 12.512 -3.430 -5.399 1.00 0.00 H new ATOM 0 HA LYS A 74 12.909 -4.886 -2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.496 -2.153 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.943 -2.684 -2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.753 -2.363 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.806 -3.740 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.641 -1.056 -2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.822 -1.329 -0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.874 -3.370 -2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.845 -1.991 -2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.378 -3.428 -0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.996 -2.736 0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.893 -4.249 -0.437 1.00 0.00 H new ATOM 764 N PRO A 75 10.962 -6.276 -3.087 1.00 0.00 N ATOM 765 CA PRO A 75 9.741 -7.121 -3.138 1.00 0.00 C ATOM 766 C PRO A 75 8.706 -6.560 -2.158 1.00 0.00 C ATOM 767 O PRO A 75 8.695 -6.903 -0.997 1.00 0.00 O ATOM 768 CB PRO A 75 10.240 -8.497 -2.700 1.00 0.00 C ATOM 769 CG PRO A 75 11.458 -8.228 -1.877 1.00 0.00 C ATOM 770 CD PRO A 75 12.069 -6.950 -2.392 1.00 0.00 C ATOM 0 HA PRO A 75 9.260 -7.156 -4.116 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.482 -9.025 -2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.477 -9.123 -3.561 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.197 -8.133 -0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.166 -9.053 -1.957 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.459 -6.339 -1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.901 -7.150 -3.068 1.00 0.00 H new ATOM 778 N VAL A 76 7.856 -5.678 -2.616 1.00 0.00 N ATOM 779 CA VAL A 76 6.837 -5.064 -1.710 1.00 0.00 C ATOM 780 C VAL A 76 5.551 -5.893 -1.692 1.00 0.00 C ATOM 781 O VAL A 76 5.235 -6.591 -2.639 1.00 0.00 O ATOM 782 CB VAL A 76 6.573 -3.669 -2.288 1.00 0.00 C ATOM 783 CG1 VAL A 76 5.590 -2.912 -1.393 1.00 0.00 C ATOM 784 CG2 VAL A 76 7.887 -2.883 -2.369 1.00 0.00 C ATOM 0 H VAL A 76 7.823 -5.354 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 76 7.189 -5.019 -0.679 1.00 0.00 H new ATOM 0 HB VAL A 76 6.149 -3.776 -3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.407 -1.922 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.650 -3.462 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.011 -2.813 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.694 -1.892 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.314 -2.784 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.589 -3.413 -3.013 1.00 0.00 H new ATOM 794 N SER A 77 4.808 -5.810 -0.618 1.00 0.00 N ATOM 795 CA SER A 77 3.535 -6.582 -0.515 1.00 0.00 C ATOM 796 C SER A 77 2.553 -5.877 0.429 1.00 0.00 C ATOM 797 O SER A 77 2.935 -5.352 1.459 1.00 0.00 O ATOM 798 CB SER A 77 3.942 -7.944 0.055 1.00 0.00 C ATOM 799 OG SER A 77 4.662 -8.675 -0.931 1.00 0.00 O ATOM 0 H SER A 77 5.031 -5.237 0.196 1.00 0.00 H new ATOM 0 HA SER A 77 3.033 -6.674 -1.478 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.558 -7.809 0.944 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.057 -8.501 0.362 1.00 0.00 H new ATOM 0 HG SER A 77 4.827 -8.101 -1.708 1.00 0.00 H new ATOM 805 N PHE A 78 1.284 -5.875 0.089 1.00 0.00 N ATOM 806 CA PHE A 78 0.265 -5.219 0.969 1.00 0.00 C ATOM 807 C PHE A 78 -1.147 -5.662 0.580 1.00 0.00 C ATOM 808 O PHE A 78 -1.375 -6.202 -0.487 1.00 0.00 O ATOM 809 CB PHE A 78 0.417 -3.703 0.769 1.00 0.00 C ATOM 810 CG PHE A 78 0.462 -3.346 -0.701 1.00 0.00 C ATOM 811 CD1 PHE A 78 -0.718 -3.322 -1.454 1.00 0.00 C ATOM 812 CD2 PHE A 78 1.682 -3.021 -1.303 1.00 0.00 C ATOM 813 CE1 PHE A 78 -0.677 -2.975 -2.809 1.00 0.00 C ATOM 814 CE2 PHE A 78 1.724 -2.675 -2.660 1.00 0.00 C ATOM 815 CZ PHE A 78 0.543 -2.652 -3.412 1.00 0.00 C ATOM 0 H PHE A 78 0.911 -6.300 -0.760 1.00 0.00 H new ATOM 0 HA PHE A 78 0.419 -5.497 2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.415 -3.185 1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.329 -3.359 1.257 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.660 -3.571 -0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.592 -3.037 -0.722 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.588 -2.957 -3.389 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.666 -2.426 -3.126 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.574 -2.385 -4.458 1.00 0.00 H new ATOM 825 N THR A 79 -2.097 -5.421 1.441 1.00 0.00 N ATOM 826 CA THR A 79 -3.505 -5.806 1.142 1.00 0.00 C ATOM 827 C THR A 79 -4.340 -4.551 0.903 1.00 0.00 C ATOM 828 O THR A 79 -4.244 -3.584 1.635 1.00 0.00 O ATOM 829 CB THR A 79 -4.002 -6.566 2.378 1.00 0.00 C ATOM 830 OG1 THR A 79 -3.495 -5.951 3.557 1.00 0.00 O ATOM 831 CG2 THR A 79 -3.526 -8.021 2.308 1.00 0.00 C ATOM 0 H THR A 79 -1.957 -4.971 2.345 1.00 0.00 H new ATOM 0 HA THR A 79 -3.583 -6.423 0.246 1.00 0.00 H new ATOM 0 HB THR A 79 -5.091 -6.542 2.403 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.385 -6.627 4.258 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.879 -8.562 3.186 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.923 -8.491 1.408 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.437 -8.046 2.280 1.00 0.00 H new ATOM 839 N VAL A 80 -5.154 -4.557 -0.118 1.00 0.00 N ATOM 840 CA VAL A 80 -6.001 -3.361 -0.412 1.00 0.00 C ATOM 841 C VAL A 80 -7.486 -3.734 -0.338 1.00 0.00 C ATOM 842 O VAL A 80 -7.884 -4.828 -0.700 1.00 0.00 O ATOM 843 CB VAL A 80 -5.604 -2.897 -1.824 1.00 0.00 C ATOM 844 CG1 VAL A 80 -4.125 -2.491 -1.835 1.00 0.00 C ATOM 845 CG2 VAL A 80 -5.827 -4.024 -2.840 1.00 0.00 C ATOM 0 H VAL A 80 -5.270 -5.339 -0.763 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.846 -2.562 0.313 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.224 -2.044 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.845 -2.163 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.966 -1.677 -1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.511 -3.345 -1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.541 -3.680 -3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.219 -4.886 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.879 -4.308 -2.843 1.00 0.00 H new ATOM 855 N LYS A 81 -8.303 -2.831 0.143 1.00 0.00 N ATOM 856 CA LYS A 81 -9.769 -3.115 0.269 1.00 0.00 C ATOM 857 C LYS A 81 -10.578 -2.149 -0.612 1.00 0.00 C ATOM 858 O LYS A 81 -10.119 -1.079 -0.960 1.00 0.00 O ATOM 859 CB LYS A 81 -10.075 -2.901 1.763 1.00 0.00 C ATOM 860 CG LYS A 81 -11.570 -2.637 1.981 1.00 0.00 C ATOM 861 CD LYS A 81 -12.031 -3.326 3.266 1.00 0.00 C ATOM 862 CE LYS A 81 -12.848 -4.571 2.909 1.00 0.00 C ATOM 863 NZ LYS A 81 -12.622 -5.527 4.029 1.00 0.00 N ATOM 0 H LYS A 81 -8.017 -1.903 0.456 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.035 -4.120 -0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.770 -3.780 2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.494 -2.060 2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.755 -1.565 2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.143 -3.009 1.131 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.169 -3.604 3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.633 -2.641 3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.906 -4.330 2.805 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.523 -4.995 1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.917 -6.480 3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.612 -5.538 4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.179 -5.231 4.856 1.00 0.00 H new ATOM 877 N GLU A 82 -11.778 -2.529 -0.977 1.00 0.00 N ATOM 878 CA GLU A 82 -12.627 -1.642 -1.840 1.00 0.00 C ATOM 879 C GLU A 82 -13.091 -0.398 -1.064 1.00 0.00 C ATOM 880 O GLU A 82 -13.596 -0.494 0.040 1.00 0.00 O ATOM 881 CB GLU A 82 -13.834 -2.500 -2.236 1.00 0.00 C ATOM 882 CG GLU A 82 -14.134 -2.310 -3.724 1.00 0.00 C ATOM 883 CD GLU A 82 -15.296 -3.218 -4.142 1.00 0.00 C ATOM 884 OE1 GLU A 82 -15.186 -4.421 -3.948 1.00 0.00 O ATOM 885 OE2 GLU A 82 -16.271 -2.695 -4.653 1.00 0.00 O ATOM 0 H GLU A 82 -12.209 -3.416 -0.715 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.074 -1.281 -2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.630 -3.550 -2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.703 -2.219 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.385 -1.268 -3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.248 -2.543 -4.315 1.00 0.00 H new ATOM 892 N THR A 83 -12.932 0.769 -1.647 1.00 0.00 N ATOM 893 CA THR A 83 -13.374 2.032 -0.964 1.00 0.00 C ATOM 894 C THR A 83 -14.781 2.424 -1.435 1.00 0.00 C ATOM 895 O THR A 83 -15.326 1.835 -2.350 1.00 0.00 O ATOM 896 CB THR A 83 -12.364 3.109 -1.390 1.00 0.00 C ATOM 897 OG1 THR A 83 -12.208 3.094 -2.806 1.00 0.00 O ATOM 898 CG2 THR A 83 -11.012 2.844 -0.724 1.00 0.00 C ATOM 0 H THR A 83 -12.515 0.902 -2.568 1.00 0.00 H new ATOM 0 HA THR A 83 -13.410 1.912 0.119 1.00 0.00 H new ATOM 0 HB THR A 83 -12.735 4.086 -1.079 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.974 3.540 -3.224 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.300 3.610 -1.029 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.129 2.868 0.359 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.643 1.864 -1.027 1.00 0.00 H new ATOM 906 N VAL A 84 -15.369 3.421 -0.820 1.00 0.00 N ATOM 907 CA VAL A 84 -16.740 3.859 -1.236 1.00 0.00 C ATOM 908 C VAL A 84 -16.681 4.600 -2.582 1.00 0.00 C ATOM 909 O VAL A 84 -17.661 4.667 -3.300 1.00 0.00 O ATOM 910 CB VAL A 84 -17.249 4.797 -0.127 1.00 0.00 C ATOM 911 CG1 VAL A 84 -17.201 4.085 1.229 1.00 0.00 C ATOM 912 CG2 VAL A 84 -16.382 6.062 -0.071 1.00 0.00 C ATOM 0 H VAL A 84 -14.961 3.950 -0.049 1.00 0.00 H new ATOM 0 HA VAL A 84 -17.405 3.006 -1.367 1.00 0.00 H new ATOM 0 HB VAL A 84 -18.279 5.075 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.563 4.758 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -17.831 3.196 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.174 3.794 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -16.749 6.720 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.349 5.786 0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.431 6.580 -1.029 1.00 0.00 H new ATOM 922 N CYS A 85 -15.544 5.159 -2.923 1.00 0.00 N ATOM 923 CA CYS A 85 -15.427 5.901 -4.214 1.00 0.00 C ATOM 924 C CYS A 85 -15.019 4.955 -5.349 1.00 0.00 C ATOM 925 O CYS A 85 -14.040 4.239 -5.235 1.00 0.00 O ATOM 926 CB CYS A 85 -14.335 6.944 -3.984 1.00 0.00 C ATOM 927 SG CYS A 85 -15.015 8.337 -3.055 1.00 0.00 S ATOM 0 H CYS A 85 -14.693 5.132 -2.361 1.00 0.00 H new ATOM 0 HA CYS A 85 -16.376 6.354 -4.502 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -13.503 6.500 -3.437 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -13.940 7.289 -4.940 1.00 0.00 H new ATOM 932 N PRO A 86 -15.777 4.994 -6.417 1.00 0.00 N ATOM 933 CA PRO A 86 -15.477 4.143 -7.589 1.00 0.00 C ATOM 934 C PRO A 86 -14.357 4.774 -8.429 1.00 0.00 C ATOM 935 O PRO A 86 -14.019 5.932 -8.263 1.00 0.00 O ATOM 936 CB PRO A 86 -16.791 4.123 -8.363 1.00 0.00 C ATOM 937 CG PRO A 86 -17.502 5.384 -7.975 1.00 0.00 C ATOM 938 CD PRO A 86 -16.976 5.817 -6.628 1.00 0.00 C ATOM 0 HA PRO A 86 -15.133 3.144 -7.320 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -16.613 4.087 -9.438 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -17.383 3.244 -8.109 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.332 6.162 -8.719 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.578 5.217 -7.929 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.734 6.880 -6.620 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -17.714 5.652 -5.843 1.00 0.00 H new ATOM 946 N ARG A 87 -13.793 4.024 -9.335 1.00 0.00 N ATOM 947 CA ARG A 87 -12.704 4.570 -10.200 1.00 0.00 C ATOM 948 C ARG A 87 -13.294 4.990 -11.557 1.00 0.00 C ATOM 949 O ARG A 87 -14.205 4.347 -12.046 1.00 0.00 O ATOM 950 CB ARG A 87 -11.722 3.402 -10.380 1.00 0.00 C ATOM 951 CG ARG A 87 -10.311 3.826 -9.958 1.00 0.00 C ATOM 952 CD ARG A 87 -9.502 4.237 -11.196 1.00 0.00 C ATOM 953 NE ARG A 87 -9.217 2.961 -11.917 1.00 0.00 N ATOM 954 CZ ARG A 87 -9.069 2.960 -13.214 1.00 0.00 C ATOM 955 NH1 ARG A 87 -7.996 3.484 -13.747 1.00 0.00 N ATOM 956 NH2 ARG A 87 -9.988 2.429 -13.975 1.00 0.00 N ATOM 0 H ARG A 87 -14.040 3.051 -9.516 1.00 0.00 H new ATOM 0 HA ARG A 87 -12.218 5.445 -9.768 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.047 2.549 -9.784 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.716 3.079 -11.421 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.366 4.657 -9.255 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.813 3.005 -9.442 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.066 4.927 -11.824 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.580 4.744 -10.913 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.138 2.088 -11.395 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.277 3.892 -13.150 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.878 3.484 -14.760 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.821 2.015 -13.556 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.873 2.428 -14.988 1.00 0.00 H new ATOM 970 N PRO A 88 -12.763 6.047 -12.143 1.00 0.00 N ATOM 971 CA PRO A 88 -11.652 6.828 -11.543 1.00 0.00 C ATOM 972 C PRO A 88 -12.183 7.984 -10.676 1.00 0.00 C ATOM 973 O PRO A 88 -13.142 8.645 -11.030 1.00 0.00 O ATOM 974 CB PRO A 88 -10.931 7.379 -12.770 1.00 0.00 C ATOM 975 CG PRO A 88 -11.961 7.431 -13.865 1.00 0.00 C ATOM 976 CD PRO A 88 -13.153 6.603 -13.439 1.00 0.00 C ATOM 0 HA PRO A 88 -11.020 6.231 -10.886 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.522 8.370 -12.571 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -10.094 6.740 -13.051 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.263 8.461 -14.053 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -11.545 7.046 -14.796 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -14.052 7.214 -13.355 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.369 5.815 -14.161 1.00 0.00 H new ATOM 984 N THR A 89 -11.547 8.251 -9.558 1.00 0.00 N ATOM 985 CA THR A 89 -11.992 9.382 -8.683 1.00 0.00 C ATOM 986 C THR A 89 -11.067 10.590 -8.906 1.00 0.00 C ATOM 987 O THR A 89 -9.938 10.440 -9.339 1.00 0.00 O ATOM 988 CB THR A 89 -11.871 8.859 -7.239 1.00 0.00 C ATOM 989 OG1 THR A 89 -12.957 7.988 -6.959 1.00 0.00 O ATOM 990 CG2 THR A 89 -11.900 10.025 -6.246 1.00 0.00 C ATOM 0 H THR A 89 -10.738 7.733 -9.214 1.00 0.00 H new ATOM 0 HA THR A 89 -13.010 9.704 -8.900 1.00 0.00 H new ATOM 0 HB THR A 89 -10.926 8.325 -7.138 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.042 7.330 -7.680 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.814 9.640 -5.230 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.068 10.698 -6.451 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.840 10.568 -6.350 1.00 0.00 H new ATOM 998 N ARG A 90 -11.533 11.782 -8.613 1.00 0.00 N ATOM 999 CA ARG A 90 -10.676 12.997 -8.806 1.00 0.00 C ATOM 1000 C ARG A 90 -9.393 12.870 -7.976 1.00 0.00 C ATOM 1001 O ARG A 90 -8.298 12.996 -8.489 1.00 0.00 O ATOM 1002 CB ARG A 90 -11.522 14.177 -8.312 1.00 0.00 C ATOM 1003 CG ARG A 90 -12.338 14.747 -9.475 1.00 0.00 C ATOM 1004 CD ARG A 90 -13.759 14.175 -9.437 1.00 0.00 C ATOM 1005 NE ARG A 90 -14.618 15.237 -10.033 1.00 0.00 N ATOM 1006 CZ ARG A 90 -15.466 15.891 -9.285 1.00 0.00 C ATOM 1007 NH1 ARG A 90 -15.080 16.962 -8.644 1.00 0.00 N ATOM 1008 NH2 ARG A 90 -16.700 15.471 -9.180 1.00 0.00 N ATOM 0 H ARG A 90 -12.468 11.966 -8.249 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.376 13.127 -9.846 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.188 13.851 -7.513 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.877 14.950 -7.894 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.371 15.835 -9.410 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.861 14.499 -10.423 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.826 13.247 -10.006 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.065 13.946 -8.416 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.544 15.454 -11.027 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.117 17.287 -8.728 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.742 17.473 -8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.998 14.634 -9.682 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.364 15.980 -8.597 1.00 0.00 H new ATOM 1022 N GLN A 91 -9.525 12.608 -6.701 1.00 0.00 N ATOM 1023 CA GLN A 91 -8.324 12.453 -5.828 1.00 0.00 C ATOM 1024 C GLN A 91 -8.009 10.956 -5.634 1.00 0.00 C ATOM 1025 O GLN A 91 -8.674 10.113 -6.210 1.00 0.00 O ATOM 1026 CB GLN A 91 -8.718 13.118 -4.501 1.00 0.00 C ATOM 1027 CG GLN A 91 -7.933 14.424 -4.330 1.00 0.00 C ATOM 1028 CD GLN A 91 -8.842 15.618 -4.642 1.00 0.00 C ATOM 1029 OE1 GLN A 91 -9.375 15.722 -5.729 1.00 0.00 O ATOM 1030 NE2 GLN A 91 -9.041 16.531 -3.729 1.00 0.00 N ATOM 0 H GLN A 91 -10.420 12.494 -6.225 1.00 0.00 H new ATOM 0 HA GLN A 91 -7.428 12.907 -6.252 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.789 13.321 -4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -8.510 12.445 -3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.553 14.500 -3.311 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -7.069 14.430 -4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.594 16.445 -2.816 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -9.643 17.330 -3.929 1.00 0.00 H new ATOM 1039 N PRO A 92 -7.003 10.670 -4.835 1.00 0.00 N ATOM 1040 CA PRO A 92 -6.609 9.254 -4.578 1.00 0.00 C ATOM 1041 C PRO A 92 -7.699 8.509 -3.784 1.00 0.00 C ATOM 1042 O PRO A 92 -8.612 9.120 -3.259 1.00 0.00 O ATOM 1043 CB PRO A 92 -5.321 9.388 -3.762 1.00 0.00 C ATOM 1044 CG PRO A 92 -5.408 10.737 -3.130 1.00 0.00 C ATOM 1045 CD PRO A 92 -6.144 11.614 -4.104 1.00 0.00 C ATOM 0 HA PRO A 92 -6.473 8.677 -5.493 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.246 8.603 -3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.440 9.305 -4.398 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.935 10.687 -2.177 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.414 11.134 -2.924 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -6.731 12.377 -3.593 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.459 12.134 -4.773 1.00 0.00 H new ATOM 1053 N PRO A 93 -7.558 7.202 -3.723 1.00 0.00 N ATOM 1054 CA PRO A 93 -8.539 6.355 -2.983 1.00 0.00 C ATOM 1055 C PRO A 93 -8.457 6.615 -1.471 1.00 0.00 C ATOM 1056 O PRO A 93 -9.448 6.525 -0.770 1.00 0.00 O ATOM 1057 CB PRO A 93 -8.108 4.929 -3.326 1.00 0.00 C ATOM 1058 CG PRO A 93 -6.663 5.042 -3.685 1.00 0.00 C ATOM 1059 CD PRO A 93 -6.488 6.393 -4.325 1.00 0.00 C ATOM 0 HA PRO A 93 -9.574 6.559 -3.258 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.254 4.258 -2.480 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.691 4.528 -4.155 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.034 4.947 -2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.370 4.247 -4.370 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.503 6.811 -4.116 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.588 6.339 -5.409 1.00 0.00 H new ATOM 1067 N GLU A 94 -7.290 6.949 -0.970 1.00 0.00 N ATOM 1068 CA GLU A 94 -7.153 7.233 0.493 1.00 0.00 C ATOM 1069 C GLU A 94 -8.002 8.453 0.870 1.00 0.00 C ATOM 1070 O GLU A 94 -8.535 8.533 1.961 1.00 0.00 O ATOM 1071 CB GLU A 94 -5.665 7.522 0.712 1.00 0.00 C ATOM 1072 CG GLU A 94 -5.257 7.080 2.121 1.00 0.00 C ATOM 1073 CD GLU A 94 -3.834 6.518 2.090 1.00 0.00 C ATOM 1074 OE1 GLU A 94 -3.675 5.376 1.689 1.00 0.00 O ATOM 1075 OE2 GLU A 94 -2.927 7.238 2.472 1.00 0.00 O ATOM 0 H GLU A 94 -6.429 7.037 -1.510 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.495 6.401 1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.068 6.995 -0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.468 8.586 0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.310 7.925 2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.950 6.324 2.491 1.00 0.00 H new ATOM 1082 N LEU A 95 -8.136 9.396 -0.036 1.00 0.00 N ATOM 1083 CA LEU A 95 -8.957 10.617 0.240 1.00 0.00 C ATOM 1084 C LEU A 95 -10.420 10.233 0.513 1.00 0.00 C ATOM 1085 O LEU A 95 -11.124 10.925 1.224 1.00 0.00 O ATOM 1086 CB LEU A 95 -8.850 11.456 -1.041 1.00 0.00 C ATOM 1087 CG LEU A 95 -9.822 12.642 -0.981 1.00 0.00 C ATOM 1088 CD1 LEU A 95 -9.048 13.951 -1.153 1.00 0.00 C ATOM 1089 CD2 LEU A 95 -10.857 12.507 -2.103 1.00 0.00 C ATOM 0 H LEU A 95 -7.708 9.370 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.608 11.159 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.829 11.819 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.074 10.837 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.329 12.648 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -9.741 14.792 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.312 14.046 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.539 13.949 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -11.549 13.348 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.349 12.500 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.410 11.576 -1.978 1.00 0.00 H new ATOM 1101 N CYS A 96 -10.880 9.145 -0.056 1.00 0.00 N ATOM 1102 CA CYS A 96 -12.296 8.723 0.157 1.00 0.00 C ATOM 1103 C CYS A 96 -12.413 7.775 1.360 1.00 0.00 C ATOM 1104 O CYS A 96 -11.446 7.499 2.045 1.00 0.00 O ATOM 1105 CB CYS A 96 -12.694 8.020 -1.141 1.00 0.00 C ATOM 1106 SG CYS A 96 -13.387 9.244 -2.281 1.00 0.00 S ATOM 0 H CYS A 96 -10.333 8.531 -0.660 1.00 0.00 H new ATOM 0 HA CYS A 96 -12.947 9.568 0.379 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -11.826 7.536 -1.589 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -13.425 7.238 -0.937 1.00 0.00 H new ATOM 1111 N ASP A 97 -13.603 7.294 1.631 1.00 0.00 N ATOM 1112 CA ASP A 97 -13.807 6.383 2.800 1.00 0.00 C ATOM 1113 C ASP A 97 -13.396 4.942 2.462 1.00 0.00 C ATOM 1114 O ASP A 97 -12.771 4.677 1.451 1.00 0.00 O ATOM 1115 CB ASP A 97 -15.310 6.454 3.111 1.00 0.00 C ATOM 1116 CG ASP A 97 -15.706 7.897 3.446 1.00 0.00 C ATOM 1117 OD1 ASP A 97 -15.973 8.650 2.522 1.00 0.00 O ATOM 1118 OD2 ASP A 97 -15.740 8.223 4.622 1.00 0.00 O ATOM 0 H ASP A 97 -14.444 7.495 1.090 1.00 0.00 H new ATOM 0 HA ASP A 97 -13.196 6.684 3.651 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.884 6.099 2.255 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.548 5.798 3.949 1.00 0.00 H new ATOM 1123 N PHE A 98 -13.747 4.014 3.318 1.00 0.00 N ATOM 1124 CA PHE A 98 -13.395 2.581 3.095 1.00 0.00 C ATOM 1125 C PHE A 98 -14.640 1.704 3.278 1.00 0.00 C ATOM 1126 O PHE A 98 -15.415 1.905 4.194 1.00 0.00 O ATOM 1127 CB PHE A 98 -12.372 2.263 4.193 1.00 0.00 C ATOM 1128 CG PHE A 98 -11.109 1.656 3.615 1.00 0.00 C ATOM 1129 CD1 PHE A 98 -11.123 1.004 2.372 1.00 0.00 C ATOM 1130 CD2 PHE A 98 -9.914 1.742 4.340 1.00 0.00 C ATOM 1131 CE1 PHE A 98 -9.945 0.445 1.863 1.00 0.00 C ATOM 1132 CE2 PHE A 98 -8.739 1.181 3.831 1.00 0.00 C ATOM 1133 CZ PHE A 98 -8.755 0.533 2.592 1.00 0.00 C ATOM 0 H PHE A 98 -14.271 4.194 4.175 1.00 0.00 H new ATOM 0 HA PHE A 98 -13.008 2.397 2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -12.123 3.175 4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -12.812 1.573 4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -12.042 0.934 1.809 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.900 2.244 5.296 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -9.955 -0.055 0.906 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.820 1.248 4.394 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.847 0.100 2.198 1.00 0.00 H new ATOM 1143 N LYS A 99 -14.832 0.728 2.430 1.00 0.00 N ATOM 1144 CA LYS A 99 -16.022 -0.165 2.580 1.00 0.00 C ATOM 1145 C LYS A 99 -15.592 -1.479 3.224 1.00 0.00 C ATOM 1146 O LYS A 99 -14.889 -2.266 2.619 1.00 0.00 O ATOM 1147 CB LYS A 99 -16.542 -0.427 1.167 1.00 0.00 C ATOM 1148 CG LYS A 99 -17.030 0.880 0.544 1.00 0.00 C ATOM 1149 CD LYS A 99 -18.155 0.585 -0.452 1.00 0.00 C ATOM 1150 CE LYS A 99 -19.511 0.809 0.226 1.00 0.00 C ATOM 1151 NZ LYS A 99 -20.358 -0.345 -0.197 1.00 0.00 N ATOM 0 H LYS A 99 -14.220 0.510 1.643 1.00 0.00 H new ATOM 0 HA LYS A 99 -16.790 0.289 3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.752 -0.860 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -17.355 -1.152 1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -17.387 1.555 1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -16.206 1.384 0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -18.062 1.232 -1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -18.080 -0.443 -0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -19.407 0.844 1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -19.954 1.756 -0.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -21.362 -0.087 -0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -20.142 -0.591 -1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -20.161 -1.163 0.414 1.00 0.00 H new ATOM 1165 N GLU A 100 -16.008 -1.731 4.435 1.00 0.00 N ATOM 1166 CA GLU A 100 -15.616 -3.010 5.098 1.00 0.00 C ATOM 1167 C GLU A 100 -16.204 -4.195 4.322 1.00 0.00 C ATOM 1168 O GLU A 100 -15.590 -5.240 4.210 1.00 0.00 O ATOM 1169 CB GLU A 100 -16.193 -2.942 6.517 1.00 0.00 C ATOM 1170 CG GLU A 100 -15.210 -3.578 7.508 1.00 0.00 C ATOM 1171 CD GLU A 100 -14.994 -5.052 7.154 1.00 0.00 C ATOM 1172 OE1 GLU A 100 -15.876 -5.846 7.442 1.00 0.00 O ATOM 1173 OE2 GLU A 100 -13.950 -5.361 6.601 1.00 0.00 O ATOM 0 H GLU A 100 -16.598 -1.113 4.992 1.00 0.00 H new ATOM 0 HA GLU A 100 -14.535 -3.146 5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -16.382 -1.905 6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.150 -3.462 6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -14.259 -3.046 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -15.597 -3.492 8.523 1.00 0.00 H new ATOM 1180 N ASN A 101 -17.379 -4.032 3.763 1.00 0.00 N ATOM 1181 CA ASN A 101 -17.992 -5.142 2.971 1.00 0.00 C ATOM 1182 C ASN A 101 -17.270 -5.301 1.613 1.00 0.00 C ATOM 1183 O ASN A 101 -17.574 -6.198 0.852 1.00 0.00 O ATOM 1184 CB ASN A 101 -19.468 -4.751 2.774 1.00 0.00 C ATOM 1185 CG ASN A 101 -19.592 -3.665 1.699 1.00 0.00 C ATOM 1186 OD1 ASN A 101 -19.419 -2.495 1.974 1.00 0.00 O ATOM 1187 ND2 ASN A 101 -19.886 -4.008 0.474 1.00 0.00 N ATOM 0 H ASN A 101 -17.938 -3.181 3.821 1.00 0.00 H new ATOM 0 HA ASN A 101 -17.904 -6.101 3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -20.048 -5.627 2.484 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -19.884 -4.390 3.715 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -19.970 -3.294 -0.249 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -20.032 -4.990 0.240 1.00 0.00 H new ATOM 1194 N GLY A 102 -16.307 -4.449 1.311 1.00 0.00 N ATOM 1195 CA GLY A 102 -15.567 -4.570 0.023 1.00 0.00 C ATOM 1196 C GLY A 102 -14.620 -5.769 0.095 1.00 0.00 C ATOM 1197 O GLY A 102 -14.290 -6.250 1.163 1.00 0.00 O ATOM 0 H GLY A 102 -16.009 -3.678 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -16.268 -4.695 -0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.003 -3.658 -0.173 1.00 0.00 H new ATOM 1201 N ARG A 103 -14.175 -6.256 -1.033 1.00 0.00 N ATOM 1202 CA ARG A 103 -13.244 -7.425 -1.029 1.00 0.00 C ATOM 1203 C ARG A 103 -11.802 -6.954 -0.795 1.00 0.00 C ATOM 1204 O ARG A 103 -11.431 -5.854 -1.163 1.00 0.00 O ATOM 1205 CB ARG A 103 -13.396 -8.077 -2.411 1.00 0.00 C ATOM 1206 CG ARG A 103 -12.832 -7.156 -3.502 1.00 0.00 C ATOM 1207 CD ARG A 103 -12.860 -7.883 -4.850 1.00 0.00 C ATOM 1208 NE ARG A 103 -13.955 -7.228 -5.624 1.00 0.00 N ATOM 1209 CZ ARG A 103 -15.181 -7.669 -5.530 1.00 0.00 C ATOM 1210 NH1 ARG A 103 -15.456 -8.911 -5.843 1.00 0.00 N ATOM 1211 NH2 ARG A 103 -16.130 -6.870 -5.118 1.00 0.00 N ATOM 0 H ARG A 103 -14.415 -5.896 -1.957 1.00 0.00 H new ATOM 0 HA ARG A 103 -13.475 -8.131 -0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -12.874 -9.034 -2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -14.448 -8.284 -2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -13.420 -6.240 -3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.811 -6.865 -3.255 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.904 -7.793 -5.366 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -13.052 -8.948 -4.719 1.00 0.00 H new ATOM 0 HE ARG A 103 -13.745 -6.433 -6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -14.713 -9.534 -6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -16.413 -9.255 -5.770 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -15.912 -5.905 -4.871 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -17.088 -7.212 -5.044 1.00 0.00 H new ATOM 1225 N VAL A 104 -10.987 -7.777 -0.185 1.00 0.00 N ATOM 1226 CA VAL A 104 -9.571 -7.374 0.067 1.00 0.00 C ATOM 1227 C VAL A 104 -8.631 -8.183 -0.834 1.00 0.00 C ATOM 1228 O VAL A 104 -8.822 -9.367 -1.039 1.00 0.00 O ATOM 1229 CB VAL A 104 -9.305 -7.684 1.546 1.00 0.00 C ATOM 1230 CG1 VAL A 104 -7.947 -7.106 1.952 1.00 0.00 C ATOM 1231 CG2 VAL A 104 -10.398 -7.054 2.415 1.00 0.00 C ATOM 0 H VAL A 104 -11.240 -8.707 0.148 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.401 -6.320 -0.152 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.305 -8.765 1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.757 -7.326 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.164 -7.554 1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.952 -6.026 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.203 -7.278 3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.401 -5.974 2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.368 -7.461 2.131 1.00 0.00 H new ATOM 1241 N LYS A 105 -7.625 -7.547 -1.380 1.00 0.00 N ATOM 1242 CA LYS A 105 -6.674 -8.268 -2.278 1.00 0.00 C ATOM 1243 C LYS A 105 -5.228 -8.014 -1.845 1.00 0.00 C ATOM 1244 O LYS A 105 -4.842 -6.891 -1.587 1.00 0.00 O ATOM 1245 CB LYS A 105 -6.925 -7.681 -3.670 1.00 0.00 C ATOM 1246 CG LYS A 105 -8.064 -8.445 -4.349 1.00 0.00 C ATOM 1247 CD LYS A 105 -9.040 -7.454 -4.992 1.00 0.00 C ATOM 1248 CE LYS A 105 -8.617 -7.179 -6.440 1.00 0.00 C ATOM 1249 NZ LYS A 105 -9.158 -8.322 -7.236 1.00 0.00 N ATOM 0 H LYS A 105 -7.422 -6.557 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.825 -9.347 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.179 -6.624 -3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.019 -7.747 -4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.662 -9.118 -5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.587 -9.063 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.052 -7.858 -4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.056 -6.524 -4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.019 -6.229 -6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.532 -7.118 -6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.964 -8.165 -8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.702 -9.205 -6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.185 -8.393 -7.088 1.00 0.00 H new ATOM 1263 N GLN A 106 -4.425 -9.045 -1.774 1.00 0.00 N ATOM 1264 CA GLN A 106 -3.000 -8.860 -1.368 1.00 0.00 C ATOM 1265 C GLN A 106 -2.120 -8.685 -2.609 1.00 0.00 C ATOM 1266 O GLN A 106 -1.719 -9.646 -3.239 1.00 0.00 O ATOM 1267 CB GLN A 106 -2.628 -10.132 -0.604 1.00 0.00 C ATOM 1268 CG GLN A 106 -1.304 -9.922 0.136 1.00 0.00 C ATOM 1269 CD GLN A 106 -0.768 -11.275 0.612 1.00 0.00 C ATOM 1270 OE1 GLN A 106 -0.491 -12.146 -0.188 1.00 0.00 O ATOM 1271 NE2 GLN A 106 -0.612 -11.492 1.891 1.00 0.00 N ATOM 0 H GLN A 106 -4.695 -10.007 -1.980 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.856 -7.972 -0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.416 -10.385 0.105 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.540 -10.970 -1.295 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.579 -9.442 -0.522 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.452 -9.257 0.987 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -0.844 -10.762 2.564 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -0.258 -12.392 2.216 1.00 0.00 H new ATOM 1280 N CYS A 107 -1.820 -7.460 -2.959 1.00 0.00 N ATOM 1281 CA CYS A 107 -0.966 -7.198 -4.159 1.00 0.00 C ATOM 1282 C CYS A 107 0.518 -7.256 -3.783 1.00 0.00 C ATOM 1283 O CYS A 107 0.982 -6.520 -2.933 1.00 0.00 O ATOM 1284 CB CYS A 107 -1.350 -5.791 -4.620 1.00 0.00 C ATOM 1285 SG CYS A 107 -3.052 -5.803 -5.238 1.00 0.00 S ATOM 0 H CYS A 107 -2.131 -6.625 -2.463 1.00 0.00 H new ATOM 0 HA CYS A 107 -1.120 -7.940 -4.942 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -1.257 -5.087 -3.793 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -0.670 -5.455 -5.403 1.00 0.00 H new ATOM 1290 N VAL A 108 1.261 -8.133 -4.412 1.00 0.00 N ATOM 1291 CA VAL A 108 2.718 -8.255 -4.103 1.00 0.00 C ATOM 1292 C VAL A 108 3.548 -8.179 -5.393 1.00 0.00 C ATOM 1293 O VAL A 108 3.183 -8.734 -6.411 1.00 0.00 O ATOM 1294 CB VAL A 108 2.884 -9.624 -3.428 1.00 0.00 C ATOM 1295 CG1 VAL A 108 2.024 -9.687 -2.161 1.00 0.00 C ATOM 1296 CG2 VAL A 108 2.454 -10.740 -4.388 1.00 0.00 C ATOM 0 H VAL A 108 0.919 -8.772 -5.129 1.00 0.00 H new ATOM 0 HA VAL A 108 3.065 -7.447 -3.458 1.00 0.00 H new ATOM 0 HB VAL A 108 3.933 -9.760 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.146 -10.661 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.337 -8.905 -1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.977 -9.541 -2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.576 -11.707 -3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.408 -10.601 -4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.072 -10.706 -5.285 1.00 0.00 H new ATOM 1306 N GLY A 109 4.664 -7.496 -5.354 1.00 0.00 N ATOM 1307 CA GLY A 109 5.524 -7.382 -6.572 1.00 0.00 C ATOM 1308 C GLY A 109 6.867 -6.745 -6.200 1.00 0.00 C ATOM 1309 O GLY A 109 7.083 -6.355 -5.070 1.00 0.00 O ATOM 0 H GLY A 109 5.018 -7.011 -4.529 1.00 0.00 H new ATOM 0 HA2 GLY A 109 5.687 -8.368 -7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.022 -6.779 -7.328 1.00 0.00 H new ATOM 1313 N THR A 110 7.772 -6.632 -7.142 1.00 0.00 N ATOM 1314 CA THR A 110 9.101 -6.015 -6.831 1.00 0.00 C ATOM 1315 C THR A 110 9.254 -4.679 -7.569 1.00 0.00 C ATOM 1316 O THR A 110 8.870 -4.545 -8.717 1.00 0.00 O ATOM 1317 CB THR A 110 10.157 -7.024 -7.307 1.00 0.00 C ATOM 1318 OG1 THR A 110 10.103 -7.150 -8.721 1.00 0.00 O ATOM 1319 CG2 THR A 110 9.902 -8.390 -6.661 1.00 0.00 C ATOM 0 H THR A 110 7.650 -6.938 -8.107 1.00 0.00 H new ATOM 0 HA THR A 110 9.208 -5.804 -5.767 1.00 0.00 H new ATOM 0 HB THR A 110 11.144 -6.666 -7.015 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.780 -7.793 -9.018 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.655 -9.100 -7.003 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.958 -8.296 -5.577 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.911 -8.747 -6.943 1.00 0.00 H new ATOM 1327 N VAL A 111 9.809 -3.691 -6.912 1.00 0.00 N ATOM 1328 CA VAL A 111 9.990 -2.354 -7.559 1.00 0.00 C ATOM 1329 C VAL A 111 11.329 -1.738 -7.136 1.00 0.00 C ATOM 1330 O VAL A 111 11.897 -2.110 -6.126 1.00 0.00 O ATOM 1331 CB VAL A 111 8.819 -1.491 -7.060 1.00 0.00 C ATOM 1332 CG1 VAL A 111 7.499 -2.045 -7.606 1.00 0.00 C ATOM 1333 CG2 VAL A 111 8.774 -1.498 -5.525 1.00 0.00 C ATOM 0 H VAL A 111 10.146 -3.753 -5.951 1.00 0.00 H new ATOM 0 HA VAL A 111 10.000 -2.427 -8.647 1.00 0.00 H new ATOM 0 HB VAL A 111 8.962 -0.469 -7.411 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.672 -1.431 -7.250 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.521 -2.029 -8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.364 -3.070 -7.261 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.941 -0.884 -5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 111 8.642 -2.520 -5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.707 -1.095 -5.132 1.00 0.00 H new ATOM 1343 N THR A 112 11.838 -0.800 -7.895 1.00 0.00 N ATOM 1344 CA THR A 112 13.142 -0.165 -7.524 1.00 0.00 C ATOM 1345 C THR A 112 12.913 0.938 -6.484 1.00 0.00 C ATOM 1346 O THR A 112 12.106 1.829 -6.680 1.00 0.00 O ATOM 1347 CB THR A 112 13.720 0.436 -8.816 1.00 0.00 C ATOM 1348 OG1 THR A 112 13.179 -0.220 -9.955 1.00 0.00 O ATOM 1349 CG2 THR A 112 15.242 0.275 -8.816 1.00 0.00 C ATOM 0 H THR A 112 11.411 -0.447 -8.751 1.00 0.00 H new ATOM 0 HA THR A 112 13.826 -0.893 -7.089 1.00 0.00 H new ATOM 0 HB THR A 112 13.457 1.493 -8.859 1.00 0.00 H new ATOM 0 HG1 THR A 112 12.692 0.428 -10.505 1.00 0.00 H new ATOM 0 HG21 THR A 112 15.653 0.701 -9.731 1.00 0.00 H new ATOM 0 HG22 THR A 112 15.663 0.793 -7.954 1.00 0.00 H new ATOM 0 HG23 THR A 112 15.496 -0.784 -8.762 1.00 0.00 H new ATOM 1357 N LEU A 113 13.619 0.878 -5.381 1.00 0.00 N ATOM 1358 CA LEU A 113 13.455 1.916 -4.316 1.00 0.00 C ATOM 1359 C LEU A 113 13.918 3.294 -4.817 1.00 0.00 C ATOM 1360 O LEU A 113 13.391 4.314 -4.412 1.00 0.00 O ATOM 1361 CB LEU A 113 14.348 1.440 -3.164 1.00 0.00 C ATOM 1362 CG LEU A 113 13.722 1.831 -1.822 1.00 0.00 C ATOM 1363 CD1 LEU A 113 12.415 1.059 -1.614 1.00 0.00 C ATOM 1364 CD2 LEU A 113 14.700 1.494 -0.691 1.00 0.00 C ATOM 0 H LEU A 113 14.304 0.152 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 113 12.413 2.029 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 113 14.475 0.359 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 113 15.340 1.882 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 113 13.510 2.900 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.974 1.341 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.720 1.297 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.620 -0.011 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.258 1.771 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 113 14.910 0.424 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 113 15.628 2.047 -0.836 1.00 0.00 H new ATOM 1376 N ASP A 114 14.902 3.331 -5.685 1.00 0.00 N ATOM 1377 CA ASP A 114 15.405 4.639 -6.204 1.00 0.00 C ATOM 1378 C ASP A 114 15.148 4.778 -7.716 1.00 0.00 C ATOM 1379 O ASP A 114 15.869 5.471 -8.408 1.00 0.00 O ATOM 1380 CB ASP A 114 16.909 4.611 -5.914 1.00 0.00 C ATOM 1381 CG ASP A 114 17.403 6.025 -5.598 1.00 0.00 C ATOM 1382 OD1 ASP A 114 17.195 6.469 -4.482 1.00 0.00 O ATOM 1383 OD2 ASP A 114 17.984 6.638 -6.478 1.00 0.00 O ATOM 0 H ASP A 114 15.378 2.509 -6.056 1.00 0.00 H new ATOM 0 HA ASP A 114 14.902 5.485 -5.735 1.00 0.00 H new ATOM 0 HB2 ASP A 114 17.114 3.948 -5.074 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.447 4.212 -6.774 1.00 0.00 H new ATOM 1388 N GLN A 115 14.126 4.135 -8.235 1.00 0.00 N ATOM 1389 CA GLN A 115 13.833 4.243 -9.697 1.00 0.00 C ATOM 1390 C GLN A 115 12.440 3.675 -10.001 1.00 0.00 C ATOM 1391 O GLN A 115 12.294 2.523 -10.367 1.00 0.00 O ATOM 1392 CB GLN A 115 14.922 3.412 -10.385 1.00 0.00 C ATOM 1393 CG GLN A 115 14.790 3.541 -11.904 1.00 0.00 C ATOM 1394 CD GLN A 115 15.493 4.817 -12.373 1.00 0.00 C ATOM 1395 OE1 GLN A 115 16.697 4.835 -12.537 1.00 0.00 O ATOM 1396 NE2 GLN A 115 14.791 5.894 -12.597 1.00 0.00 N ATOM 0 H GLN A 115 13.485 3.542 -7.708 1.00 0.00 H new ATOM 0 HA GLN A 115 13.834 5.276 -10.044 1.00 0.00 H new ATOM 0 HB2 GLN A 115 15.907 3.752 -10.066 1.00 0.00 H new ATOM 0 HB3 GLN A 115 14.835 2.366 -10.091 1.00 0.00 H new ATOM 0 HG2 GLN A 115 15.229 2.671 -12.393 1.00 0.00 H new ATOM 0 HG3 GLN A 115 13.738 3.568 -12.187 1.00 0.00 H new ATOM 0 HE21 GLN A 115 13.780 5.882 -12.460 1.00 0.00 H new ATOM 0 HE22 GLN A 115 15.253 6.748 -12.909 1.00 0.00 H new ATOM 1405 N ILE A 116 11.415 4.479 -9.849 1.00 0.00 N ATOM 1406 CA ILE A 116 10.026 3.991 -10.126 1.00 0.00 C ATOM 1407 C ILE A 116 9.915 3.532 -11.588 1.00 0.00 C ATOM 1408 O ILE A 116 9.915 4.335 -12.503 1.00 0.00 O ATOM 1409 CB ILE A 116 9.105 5.191 -9.857 1.00 0.00 C ATOM 1410 CG1 ILE A 116 9.271 5.657 -8.403 1.00 0.00 C ATOM 1411 CG2 ILE A 116 7.647 4.788 -10.089 1.00 0.00 C ATOM 1412 CD1 ILE A 116 9.445 7.176 -8.370 1.00 0.00 C ATOM 0 H ILE A 116 11.480 5.451 -9.546 1.00 0.00 H new ATOM 0 HA ILE A 116 9.757 3.139 -9.502 1.00 0.00 H new ATOM 0 HB ILE A 116 9.373 6.001 -10.535 1.00 0.00 H new ATOM 0 HG12 ILE A 116 8.400 5.367 -7.816 1.00 0.00 H new ATOM 0 HG13 ILE A 116 10.136 5.171 -7.951 1.00 0.00 H new ATOM 0 HG21 ILE A 116 6.998 5.643 -9.897 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.520 4.461 -11.121 1.00 0.00 H new ATOM 0 HG23 ILE A 116 7.383 3.973 -9.415 1.00 0.00 H new ATOM 0 HD11 ILE A 116 9.563 7.506 -7.338 1.00 0.00 H new ATOM 0 HD12 ILE A 116 10.330 7.453 -8.943 1.00 0.00 H new ATOM 0 HD13 ILE A 116 8.567 7.652 -8.805 1.00 0.00 H new ATOM 1424 N LYS A 117 9.832 2.245 -11.805 1.00 0.00 N ATOM 1425 CA LYS A 117 9.729 1.717 -13.199 1.00 0.00 C ATOM 1426 C LYS A 117 8.293 1.276 -13.499 1.00 0.00 C ATOM 1427 O LYS A 117 7.501 1.060 -12.600 1.00 0.00 O ATOM 1428 CB LYS A 117 10.683 0.519 -13.243 1.00 0.00 C ATOM 1429 CG LYS A 117 11.549 0.597 -14.504 1.00 0.00 C ATOM 1430 CD LYS A 117 12.894 -0.086 -14.244 1.00 0.00 C ATOM 1431 CE LYS A 117 13.458 -0.638 -15.560 1.00 0.00 C ATOM 1432 NZ LYS A 117 13.867 0.559 -16.353 1.00 0.00 N ATOM 0 H LYS A 117 9.831 1.534 -11.074 1.00 0.00 H new ATOM 0 HA LYS A 117 9.987 2.470 -13.944 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.315 0.512 -12.355 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.115 -0.411 -13.237 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.040 0.114 -15.338 1.00 0.00 H new ATOM 0 HG3 LYS A 117 11.706 1.638 -14.786 1.00 0.00 H new ATOM 0 HD2 LYS A 117 13.595 0.625 -13.807 1.00 0.00 H new ATOM 0 HD3 LYS A 117 12.769 -0.894 -13.524 1.00 0.00 H new ATOM 0 HE2 LYS A 117 14.307 -1.296 -15.377 1.00 0.00 H new ATOM 0 HE3 LYS A 117 12.709 -1.224 -16.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 14.441 0.257 -17.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 13.019 1.056 -16.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 14.426 1.198 -15.753 1.00 0.00 H new ATOM 1446 N ASP A 118 7.952 1.147 -14.758 1.00 0.00 N ATOM 1447 CA ASP A 118 6.569 0.728 -15.130 1.00 0.00 C ATOM 1448 C ASP A 118 6.611 -0.333 -16.245 1.00 0.00 C ATOM 1449 O ASP A 118 7.566 -0.401 -16.995 1.00 0.00 O ATOM 1450 CB ASP A 118 5.887 2.012 -15.625 1.00 0.00 C ATOM 1451 CG ASP A 118 6.430 2.399 -17.006 1.00 0.00 C ATOM 1452 OD1 ASP A 118 7.533 2.919 -17.067 1.00 0.00 O ATOM 1453 OD2 ASP A 118 5.731 2.169 -17.980 1.00 0.00 O ATOM 0 H ASP A 118 8.577 1.315 -15.546 1.00 0.00 H new ATOM 0 HA ASP A 118 6.034 0.279 -14.293 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.809 1.863 -15.679 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.062 2.822 -14.917 1.00 0.00 H new ATOM 1458 N PRO A 119 5.566 -1.128 -16.327 1.00 0.00 N ATOM 1459 CA PRO A 119 4.419 -1.010 -15.388 1.00 0.00 C ATOM 1460 C PRO A 119 4.763 -1.642 -14.031 1.00 0.00 C ATOM 1461 O PRO A 119 5.810 -2.237 -13.859 1.00 0.00 O ATOM 1462 CB PRO A 119 3.309 -1.795 -16.081 1.00 0.00 C ATOM 1463 CG PRO A 119 4.011 -2.776 -16.967 1.00 0.00 C ATOM 1464 CD PRO A 119 5.364 -2.202 -17.307 1.00 0.00 C ATOM 0 HA PRO A 119 4.143 0.024 -15.180 1.00 0.00 H new ATOM 0 HB2 PRO A 119 2.676 -2.304 -15.355 1.00 0.00 H new ATOM 0 HB3 PRO A 119 2.663 -1.135 -16.660 1.00 0.00 H new ATOM 0 HG2 PRO A 119 4.119 -3.737 -16.464 1.00 0.00 H new ATOM 0 HG3 PRO A 119 3.433 -2.954 -17.874 1.00 0.00 H new ATOM 0 HD2 PRO A 119 6.146 -2.958 -17.233 1.00 0.00 H new ATOM 0 HD3 PRO A 119 5.387 -1.818 -18.327 1.00 0.00 H new ATOM 1472 N LEU A 120 3.883 -1.520 -13.070 1.00 0.00 N ATOM 1473 CA LEU A 120 4.146 -2.115 -11.725 1.00 0.00 C ATOM 1474 C LEU A 120 3.986 -3.640 -11.789 1.00 0.00 C ATOM 1475 O LEU A 120 2.889 -4.154 -11.899 1.00 0.00 O ATOM 1476 CB LEU A 120 3.096 -1.494 -10.797 1.00 0.00 C ATOM 1477 CG LEU A 120 3.595 -1.537 -9.351 1.00 0.00 C ATOM 1478 CD1 LEU A 120 4.740 -0.537 -9.170 1.00 0.00 C ATOM 1479 CD2 LEU A 120 2.445 -1.173 -8.406 1.00 0.00 C ATOM 0 H LEU A 120 2.991 -1.033 -13.159 1.00 0.00 H new ATOM 0 HA LEU A 120 5.158 -1.916 -11.372 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.899 -0.464 -11.093 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.154 -2.036 -10.883 1.00 0.00 H new ATOM 0 HG LEU A 120 3.954 -2.540 -9.122 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.093 -0.570 -8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.558 -0.795 -9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.385 0.468 -9.400 1.00 0.00 H new ATOM 0 HD21 LEU A 120 2.798 -1.203 -7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 120 2.087 -0.170 -8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.631 -1.887 -8.532 1.00 0.00 H new ATOM 1491 N ASP A 121 5.079 -4.359 -11.731 1.00 0.00 N ATOM 1492 CA ASP A 121 5.010 -5.855 -11.798 1.00 0.00 C ATOM 1493 C ASP A 121 4.561 -6.440 -10.451 1.00 0.00 C ATOM 1494 O ASP A 121 5.356 -6.965 -9.691 1.00 0.00 O ATOM 1495 CB ASP A 121 6.435 -6.308 -12.134 1.00 0.00 C ATOM 1496 CG ASP A 121 6.652 -6.245 -13.646 1.00 0.00 C ATOM 1497 OD1 ASP A 121 7.074 -5.204 -14.122 1.00 0.00 O ATOM 1498 OD2 ASP A 121 6.393 -7.239 -14.304 1.00 0.00 O ATOM 0 H ASP A 121 6.020 -3.975 -11.640 1.00 0.00 H new ATOM 0 HA ASP A 121 4.288 -6.195 -12.540 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.159 -5.671 -11.626 1.00 0.00 H new ATOM 0 HB3 ASP A 121 6.598 -7.324 -11.775 1.00 0.00 H new ATOM 1503 N ILE A 122 3.289 -6.360 -10.158 1.00 0.00 N ATOM 1504 CA ILE A 122 2.775 -6.919 -8.866 1.00 0.00 C ATOM 1505 C ILE A 122 1.544 -7.804 -9.118 1.00 0.00 C ATOM 1506 O ILE A 122 0.773 -7.569 -10.030 1.00 0.00 O ATOM 1507 CB ILE A 122 2.396 -5.709 -7.994 1.00 0.00 C ATOM 1508 CG1 ILE A 122 1.311 -4.873 -8.688 1.00 0.00 C ATOM 1509 CG2 ILE A 122 3.627 -4.834 -7.739 1.00 0.00 C ATOM 1510 CD1 ILE A 122 -0.043 -5.155 -8.034 1.00 0.00 C ATOM 0 H ILE A 122 2.582 -5.932 -10.756 1.00 0.00 H new ATOM 0 HA ILE A 122 3.525 -7.540 -8.377 1.00 0.00 H new ATOM 0 HB ILE A 122 2.013 -6.077 -7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.550 -3.812 -8.613 1.00 0.00 H new ATOM 0 HG13 ILE A 122 1.272 -5.116 -9.750 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.346 -3.981 -7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 122 4.389 -5.419 -7.225 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.023 -4.478 -8.690 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.815 -4.562 -8.525 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.281 -6.214 -8.132 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.001 -4.890 -6.978 1.00 0.00 H new ATOM 1522 N THR A 123 1.355 -8.814 -8.308 1.00 0.00 N ATOM 1523 CA THR A 123 0.175 -9.718 -8.484 1.00 0.00 C ATOM 1524 C THR A 123 -0.675 -9.712 -7.210 1.00 0.00 C ATOM 1525 O THR A 123 -0.157 -9.760 -6.110 1.00 0.00 O ATOM 1526 CB THR A 123 0.764 -11.112 -8.734 1.00 0.00 C ATOM 1527 OG1 THR A 123 1.689 -11.056 -9.815 1.00 0.00 O ATOM 1528 CG2 THR A 123 -0.359 -12.093 -9.080 1.00 0.00 C ATOM 0 H THR A 123 1.968 -9.054 -7.529 1.00 0.00 H new ATOM 0 HA THR A 123 -0.469 -9.404 -9.305 1.00 0.00 H new ATOM 0 HB THR A 123 1.277 -11.449 -7.833 1.00 0.00 H new ATOM 0 HG1 THR A 123 2.065 -11.948 -9.971 1.00 0.00 H new ATOM 0 HG21 THR A 123 0.064 -13.082 -9.257 1.00 0.00 H new ATOM 0 HG22 THR A 123 -1.066 -12.143 -8.252 1.00 0.00 H new ATOM 0 HG23 THR A 123 -0.875 -11.753 -9.978 1.00 0.00 H new ATOM 1536 N CYS A 124 -1.975 -9.649 -7.346 1.00 0.00 N ATOM 1537 CA CYS A 124 -2.857 -9.634 -6.140 1.00 0.00 C ATOM 1538 C CYS A 124 -3.578 -10.976 -5.995 1.00 0.00 C ATOM 1539 O CYS A 124 -4.246 -11.434 -6.902 1.00 0.00 O ATOM 1540 CB CYS A 124 -3.858 -8.498 -6.375 1.00 0.00 C ATOM 1541 SG CYS A 124 -2.976 -6.993 -6.870 1.00 0.00 S ATOM 0 H CYS A 124 -2.464 -9.607 -8.240 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.290 -9.480 -5.222 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -4.571 -8.784 -7.149 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -4.431 -8.312 -5.466 1.00 0.00 H new ATOM 1546 N ASN A 125 -3.439 -11.613 -4.859 1.00 0.00 N ATOM 1547 CA ASN A 125 -4.102 -12.935 -4.652 1.00 0.00 C ATOM 1548 C ASN A 125 -5.268 -12.813 -3.661 1.00 0.00 C ATOM 1549 O ASN A 125 -5.241 -13.400 -2.599 1.00 0.00 O ATOM 1550 CB ASN A 125 -2.998 -13.842 -4.096 1.00 0.00 C ATOM 1551 CG ASN A 125 -3.056 -15.203 -4.793 1.00 0.00 C ATOM 1552 OD1 ASN A 125 -2.649 -15.333 -5.930 1.00 0.00 O ATOM 1553 ND2 ASN A 125 -3.547 -16.230 -4.154 1.00 0.00 N ATOM 0 H ASN A 125 -2.894 -11.274 -4.066 1.00 0.00 H new ATOM 0 HA ASN A 125 -4.530 -13.330 -5.573 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -2.022 -13.383 -4.253 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -3.123 -13.967 -3.020 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -3.589 -17.142 -4.610 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -3.889 -16.121 -3.199 1.00 0.00 H new ATOM 1560 N GLU A 126 -6.287 -12.059 -4.032 1.00 0.00 N ATOM 1561 CA GLU A 126 -7.512 -11.853 -3.172 1.00 0.00 C ATOM 1562 C GLU A 126 -7.367 -12.438 -1.756 1.00 0.00 C ATOM 1563 O GLU A 126 -7.702 -13.584 -1.507 1.00 0.00 O ATOM 1564 CB GLU A 126 -8.640 -12.563 -3.930 1.00 0.00 C ATOM 1565 CG GLU A 126 -9.775 -11.569 -4.206 1.00 0.00 C ATOM 1566 CD GLU A 126 -9.721 -11.094 -5.665 1.00 0.00 C ATOM 1567 OE1 GLU A 126 -8.625 -10.921 -6.182 1.00 0.00 O ATOM 1568 OE2 GLU A 126 -10.779 -10.899 -6.238 1.00 0.00 O ATOM 0 H GLU A 126 -6.321 -11.563 -4.923 1.00 0.00 H new ATOM 0 HA GLU A 126 -7.696 -10.790 -3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -8.262 -12.970 -4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -9.013 -13.404 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -10.737 -12.040 -4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -9.691 -10.715 -3.534 1.00 0.00 H new