USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 316 hydrogens (8 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 NoAdj-H: B 210 SEP H2 : B 210 SEP N : B 209 SER C :(H bumps) USER MOD NoAdj-H: B 210 SEP H : B 210 SEP N : B 209 SER C :(H bumps) USER MOD NoAdj-H: B 214 SEP H2 : B 214 SEP N : B 213 GLY C :(H bumps) USER MOD Set 1.1: A 261 THR OG1 : rot -151:sc= 1.01 USER MOD Set 1.2: A 263 HIS :FLIP no HD1:sc= -1.71 F(o=-1.7,f=-0.7) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN :FLIP amide:sc= -1.58! C(o=-4.4!,f=-1.6!) USER MOD Single : A 244 THR OG1 : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 171:sc= 1.57 USER MOD Single : A 247 GLN :FLIP amide:sc= -0.12 F(o=-1.7!,f=-0.12) USER MOD Single : A 249 GLN :FLIP amide:sc= -2.83 F(o=-5.2!,f=-2.8) USER MOD Single : A 251 TYR OH : rot -117:sc= 1.08 USER MOD Single : A 254 HIS :FLIP no HD1:sc= -0.487 F(o=-2.1,f=-0.49) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 257 THR OG1 : rot -47:sc= 0.0457 USER MOD Single : A 260 SER OG : rot 47:sc= 0.00877 USER MOD Single : B 208 THR OG1 : rot -34:sc= 0.193 USER MOD Single : B 209 SER OG : rot 36:sc= 0.0785 USER MOD Single : B 217 GLN : amide:sc= -0.0269 X(o=-0.027,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 12.393 7.123 3.900 1.00 15.00 N ATOM 2 CA GLU A 235 12.273 6.353 2.641 1.00 15.00 C ATOM 3 C GLU A 235 12.021 4.881 2.944 1.00 15.00 C ATOM 4 O GLU A 235 12.560 4.334 3.908 1.00 15.00 O ATOM 5 CB GLU A 235 13.540 6.520 1.800 1.00 15.00 C ATOM 6 CG GLU A 235 14.823 6.182 2.537 1.00 15.00 C ATOM 7 CD GLU A 235 16.054 6.471 1.712 1.00 15.00 C ATOM 8 OE1 GLU A 235 16.601 5.533 1.102 1.00 15.00 O ATOM 9 OE2 GLU A 235 16.471 7.649 1.648 1.00 15.00 O1- ATOM 0 HA GLU A 235 11.426 6.737 2.072 1.00 15.00 H new ATOM 0 HB2 GLU A 235 13.463 5.886 0.917 1.00 15.00 H new ATOM 0 HB3 GLU A 235 13.596 7.550 1.448 1.00 15.00 H new ATOM 0 HG2 GLU A 235 14.868 6.754 3.464 1.00 15.00 H new ATOM 0 HG3 GLU A 235 14.813 5.128 2.813 1.00 15.00 H new ATOM 16 N LEU A 236 11.210 4.242 2.113 1.00 15.00 N ATOM 17 CA LEU A 236 10.831 2.854 2.338 1.00 15.00 C ATOM 18 C LEU A 236 11.804 1.931 1.616 1.00 15.00 C ATOM 19 O LEU A 236 12.617 2.390 0.812 1.00 15.00 O ATOM 20 CB LEU A 236 9.401 2.557 1.832 1.00 15.00 C ATOM 21 CG LEU A 236 8.318 3.609 2.121 1.00 15.00 C ATOM 22 CD1 LEU A 236 8.433 4.147 3.536 1.00 15.00 C ATOM 23 CD2 LEU A 236 8.367 4.735 1.102 1.00 15.00 C ATOM 0 H LEU A 236 10.802 4.662 1.278 1.00 15.00 H new ATOM 0 HA LEU A 236 10.860 2.680 3.414 1.00 15.00 H new ATOM 0 HB2 LEU A 236 9.449 2.410 0.753 1.00 15.00 H new ATOM 0 HB3 LEU A 236 9.078 1.612 2.269 1.00 15.00 H new ATOM 0 HG LEU A 236 7.349 3.118 2.033 1.00 15.00 H new ATOM 0 HD11 LEU A 236 7.653 4.889 3.708 1.00 15.00 H new ATOM 0 HD12 LEU A 236 8.319 3.329 4.247 1.00 15.00 H new ATOM 0 HD13 LEU A 236 9.410 4.611 3.671 1.00 15.00 H new ATOM 0 HD21 LEU A 236 7.591 5.466 1.329 1.00 15.00 H new ATOM 0 HD22 LEU A 236 9.343 5.219 1.141 1.00 15.00 H new ATOM 0 HD23 LEU A 236 8.203 4.330 0.104 1.00 15.00 H new ATOM 35 N PRO A 237 11.729 0.619 1.881 1.00 15.00 N ATOM 36 CA PRO A 237 12.475 -0.374 1.108 1.00 15.00 C ATOM 37 C PRO A 237 11.913 -0.488 -0.302 1.00 15.00 C ATOM 38 O PRO A 237 10.735 -0.208 -0.541 1.00 15.00 O ATOM 39 CB PRO A 237 12.257 -1.686 1.877 1.00 15.00 C ATOM 40 CG PRO A 237 11.676 -1.295 3.195 1.00 15.00 C ATOM 41 CD PRO A 237 10.960 0.003 2.972 1.00 15.00 C ATOM 0 HA PRO A 237 13.529 -0.116 1.002 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.584 -2.350 1.335 1.00 15.00 H new ATOM 0 HB3 PRO A 237 13.197 -2.223 2.008 1.00 15.00 H new ATOM 0 HG2 PRO A 237 10.990 -2.060 3.559 1.00 15.00 H new ATOM 0 HG3 PRO A 237 12.458 -1.184 3.947 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.918 -0.153 2.694 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.961 0.624 3.868 1.00 15.00 H new ATOM 49 N GLU A 238 12.750 -0.912 -1.228 1.00 15.00 N ATOM 50 CA GLU A 238 12.376 -0.957 -2.633 1.00 15.00 C ATOM 51 C GLU A 238 11.337 -2.045 -2.885 1.00 15.00 C ATOM 52 O GLU A 238 11.501 -3.189 -2.460 1.00 15.00 O ATOM 53 CB GLU A 238 13.609 -1.198 -3.506 1.00 15.00 C ATOM 54 CG GLU A 238 13.317 -1.124 -4.996 1.00 15.00 C ATOM 55 CD GLU A 238 12.725 0.210 -5.400 1.00 15.00 C ATOM 56 OE1 GLU A 238 11.494 0.386 -5.282 1.00 15.00 O ATOM 57 OE2 GLU A 238 13.495 1.095 -5.831 1.00 15.00 O1- ATOM 0 H GLU A 238 13.699 -1.232 -1.034 1.00 15.00 H new ATOM 0 HA GLU A 238 11.938 0.006 -2.897 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.372 -0.461 -3.256 1.00 15.00 H new ATOM 0 HB3 GLU A 238 14.024 -2.178 -3.273 1.00 15.00 H new ATOM 0 HG2 GLU A 238 14.238 -1.294 -5.553 1.00 15.00 H new ATOM 0 HG3 GLU A 238 12.627 -1.923 -5.269 1.00 15.00 H new ATOM 64 N GLY A 239 10.275 -1.682 -3.590 1.00 15.00 N ATOM 65 CA GLY A 239 9.234 -2.641 -3.901 1.00 15.00 C ATOM 66 C GLY A 239 7.852 -2.162 -3.503 1.00 15.00 C ATOM 67 O GLY A 239 6.848 -2.721 -3.946 1.00 15.00 O ATOM 0 H GLY A 239 10.115 -0.742 -3.952 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.247 -2.849 -4.971 1.00 15.00 H new ATOM 0 HA3 GLY A 239 9.448 -3.580 -3.391 1.00 15.00 H new ATOM 71 N TYR A 240 7.789 -1.147 -2.654 1.00 15.00 N ATOM 72 CA TYR A 240 6.507 -0.603 -2.216 1.00 15.00 C ATOM 73 C TYR A 240 6.122 0.590 -3.072 1.00 15.00 C ATOM 74 O TYR A 240 6.948 1.466 -3.333 1.00 15.00 O ATOM 75 CB TYR A 240 6.568 -0.137 -0.752 1.00 15.00 C ATOM 76 CG TYR A 240 6.959 -1.212 0.228 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.260 -1.310 0.694 1.00 15.00 C ATOM 78 CD2 TYR A 240 6.032 -2.141 0.670 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.630 -2.308 1.565 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.391 -3.143 1.548 1.00 15.00 C ATOM 81 CZ TYR A 240 7.694 -3.227 1.989 1.00 15.00 C ATOM 82 OH TYR A 240 8.058 -4.230 2.857 1.00 15.00 O ATOM 0 H TYR A 240 8.605 -0.683 -2.255 1.00 15.00 H new ATOM 0 HA TYR A 240 5.769 -1.399 -2.314 1.00 15.00 H new ATOM 0 HB2 TYR A 240 7.280 0.685 -0.674 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.593 0.259 -0.469 1.00 15.00 H new ATOM 0 HD1 TYR A 240 8.996 -0.590 0.368 1.00 15.00 H new ATOM 0 HD2 TYR A 240 5.011 -2.080 0.322 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.650 -2.371 1.915 1.00 15.00 H new ATOM 0 HE2 TYR A 240 5.655 -3.857 1.888 1.00 15.00 H new ATOM 0 HH TYR A 240 7.278 -4.790 3.056 1.00 15.00 H new ATOM 92 N GLU A 241 4.875 0.635 -3.493 1.00 15.00 N ATOM 93 CA GLU A 241 4.348 1.818 -4.139 1.00 15.00 C ATOM 94 C GLU A 241 3.273 2.449 -3.264 1.00 15.00 C ATOM 95 O GLU A 241 2.442 1.755 -2.672 1.00 15.00 O ATOM 96 CB GLU A 241 3.785 1.497 -5.527 1.00 15.00 C ATOM 97 CG GLU A 241 2.594 0.556 -5.528 1.00 15.00 C ATOM 98 CD GLU A 241 1.760 0.723 -6.776 1.00 15.00 C ATOM 99 OE1 GLU A 241 2.186 0.267 -7.856 1.00 15.00 O ATOM 100 OE2 GLU A 241 0.691 1.363 -6.711 1.00 15.00 O1- ATOM 0 H GLU A 241 4.209 -0.132 -3.400 1.00 15.00 H new ATOM 0 HA GLU A 241 5.167 2.525 -4.272 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.494 2.430 -6.010 1.00 15.00 H new ATOM 0 HB3 GLU A 241 4.578 1.058 -6.133 1.00 15.00 H new ATOM 0 HG2 GLU A 241 2.943 -0.474 -5.457 1.00 15.00 H new ATOM 0 HG3 GLU A 241 1.978 0.746 -4.649 1.00 15.00 H new ATOM 107 N GLN A 242 3.296 3.767 -3.184 1.00 15.00 N ATOM 108 CA GLN A 242 2.299 4.500 -2.431 1.00 15.00 C ATOM 109 C GLN A 242 1.139 4.829 -3.351 1.00 15.00 C ATOM 110 O GLN A 242 1.266 5.657 -4.253 1.00 15.00 O ATOM 111 CB GLN A 242 2.917 5.775 -1.843 1.00 15.00 C ATOM 112 CG GLN A 242 1.996 6.574 -0.927 1.00 15.00 C ATOM 113 CD GLN A 242 1.301 7.722 -1.638 1.00 15.00 C ATOM 114 OE1 GLN A 242 0.107 7.475 -2.149 1.00 15.00 O flip ATOM 115 NE2 GLN A 242 1.834 8.827 -1.714 1.00 15.00 N flip ATOM 0 H GLN A 242 3.999 4.353 -3.635 1.00 15.00 H new ATOM 0 HA GLN A 242 1.935 3.895 -1.601 1.00 15.00 H new ATOM 0 HB2 GLN A 242 3.813 5.503 -1.285 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.236 6.418 -2.663 1.00 15.00 H new ATOM 0 HG2 GLN A 242 1.244 5.907 -0.505 1.00 15.00 H new ATOM 0 HG3 GLN A 242 2.576 6.969 -0.093 1.00 15.00 H new ATOM 0 HE21 GLN A 242 2.757 8.977 -1.307 1.00 15.00 H new ATOM 0 HE22 GLN A 242 1.353 9.594 -2.185 1.00 15.00 H new ATOM 124 N ARG A 243 0.023 4.147 -3.158 1.00 15.00 N ATOM 125 CA ARG A 243 -1.122 4.340 -4.023 1.00 15.00 C ATOM 126 C ARG A 243 -2.200 5.181 -3.355 1.00 15.00 C ATOM 127 O ARG A 243 -2.545 4.973 -2.190 1.00 15.00 O ATOM 128 CB ARG A 243 -1.704 3.003 -4.480 1.00 15.00 C ATOM 129 CG ARG A 243 -2.947 3.188 -5.325 1.00 15.00 C ATOM 130 CD ARG A 243 -3.215 2.017 -6.248 1.00 15.00 C ATOM 131 NE ARG A 243 -4.290 2.345 -7.184 1.00 15.00 N ATOM 132 CZ ARG A 243 -4.302 2.006 -8.469 1.00 15.00 C ATOM 133 NH1 ARG A 243 -3.313 1.292 -8.980 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -5.314 2.381 -9.240 1.00 15.00 N ATOM 0 H ARG A 243 -0.112 3.461 -2.416 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.767 4.882 -4.900 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.954 2.457 -5.052 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -1.945 2.395 -3.608 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.807 3.332 -4.670 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.844 4.096 -5.919 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -2.309 1.764 -6.798 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -3.488 1.139 -5.663 1.00 15.00 H new ATOM 0 HE ARG A 243 -5.087 2.871 -6.825 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -2.536 0.999 -8.387 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -3.327 1.034 -9.967 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -6.080 2.928 -8.846 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -5.326 2.123 -10.227 1.00 15.00 H new ATOM 148 N THR A 244 -2.728 6.113 -4.128 1.00 15.00 N ATOM 149 CA THR A 244 -3.799 6.986 -3.698 1.00 15.00 C ATOM 150 C THR A 244 -5.042 6.763 -4.552 1.00 15.00 C ATOM 151 O THR A 244 -5.034 7.003 -5.759 1.00 15.00 O ATOM 152 CB THR A 244 -3.386 8.465 -3.799 1.00 15.00 C ATOM 153 OG1 THR A 244 -2.485 8.644 -4.900 1.00 15.00 O ATOM 154 CG2 THR A 244 -2.735 8.942 -2.512 1.00 15.00 C ATOM 0 H THR A 244 -2.419 6.285 -5.085 1.00 15.00 H new ATOM 0 HA THR A 244 -4.017 6.747 -2.657 1.00 15.00 H new ATOM 0 HB THR A 244 -4.284 9.060 -3.964 1.00 15.00 H new ATOM 0 HG1 THR A 244 -2.226 9.587 -4.961 1.00 15.00 H new ATOM 0 HG21 THR A 244 -2.454 9.990 -2.613 1.00 15.00 H new ATOM 0 HG22 THR A 244 -3.438 8.833 -1.686 1.00 15.00 H new ATOM 0 HG23 THR A 244 -1.845 8.345 -2.312 1.00 15.00 H new ATOM 162 N THR A 245 -6.092 6.280 -3.921 1.00 15.00 N ATOM 163 CA THR A 245 -7.371 6.098 -4.584 1.00 15.00 C ATOM 164 C THR A 245 -8.207 7.363 -4.442 1.00 15.00 C ATOM 165 O THR A 245 -8.040 8.105 -3.473 1.00 15.00 O ATOM 166 CB THR A 245 -8.143 4.883 -4.011 1.00 15.00 C ATOM 167 OG1 THR A 245 -9.512 4.905 -4.444 1.00 15.00 O ATOM 168 CG2 THR A 245 -8.081 4.857 -2.487 1.00 15.00 C ATOM 0 H THR A 245 -6.086 6.003 -2.939 1.00 15.00 H new ATOM 0 HA THR A 245 -7.180 5.901 -5.639 1.00 15.00 H new ATOM 0 HB THR A 245 -7.665 3.980 -4.389 1.00 15.00 H new ATOM 0 HG1 THR A 245 -9.945 4.060 -4.202 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.632 3.993 -2.115 1.00 15.00 H new ATOM 0 HG22 THR A 245 -7.041 4.790 -2.166 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.525 5.769 -2.089 1.00 15.00 H new ATOM 176 N VAL A 246 -9.071 7.621 -5.427 1.00 15.00 N ATOM 177 CA VAL A 246 -10.020 8.740 -5.364 1.00 15.00 C ATOM 178 C VAL A 246 -10.799 8.695 -4.046 1.00 15.00 C ATOM 179 O VAL A 246 -11.294 9.712 -3.558 1.00 15.00 O ATOM 180 CB VAL A 246 -11.011 8.697 -6.553 1.00 15.00 C ATOM 181 CG1 VAL A 246 -11.917 9.920 -6.559 1.00 15.00 C ATOM 182 CG2 VAL A 246 -10.262 8.580 -7.873 1.00 15.00 C ATOM 0 H VAL A 246 -9.134 7.068 -6.282 1.00 15.00 H new ATOM 0 HA VAL A 246 -9.451 9.668 -5.420 1.00 15.00 H new ATOM 0 HB VAL A 246 -11.639 7.814 -6.432 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -12.602 9.861 -7.405 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -12.489 9.954 -5.631 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -11.311 10.822 -6.645 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -10.977 8.551 -8.696 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -9.603 9.440 -7.995 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -9.669 7.665 -7.875 1.00 15.00 H new ATOM 192 N GLN A 247 -10.882 7.491 -3.483 1.00 15.00 N ATOM 193 CA GLN A 247 -11.434 7.259 -2.154 1.00 15.00 C ATOM 194 C GLN A 247 -10.812 8.201 -1.111 1.00 15.00 C ATOM 195 O GLN A 247 -11.457 8.570 -0.130 1.00 15.00 O ATOM 196 CB GLN A 247 -11.170 5.800 -1.776 1.00 15.00 C ATOM 197 CG GLN A 247 -11.450 5.457 -0.332 1.00 15.00 C ATOM 198 CD GLN A 247 -12.930 5.266 -0.046 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.652 4.690 -0.994 1.00 15.00 O flip ATOM 200 NE2 GLN A 247 -13.415 5.609 1.033 1.00 15.00 N flip ATOM 0 H GLN A 247 -10.563 6.639 -3.945 1.00 15.00 H new ATOM 0 HA GLN A 247 -12.505 7.462 -2.170 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -11.781 5.159 -2.412 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -10.128 5.566 -1.995 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -10.914 4.545 -0.070 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -11.061 6.250 0.307 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -12.826 6.050 1.739 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -14.405 5.452 1.220 1.00 15.00 H new ATOM 209 N GLY A 248 -9.553 8.568 -1.319 1.00 15.00 N ATOM 210 CA GLY A 248 -8.888 9.500 -0.430 1.00 15.00 C ATOM 211 C GLY A 248 -8.071 8.820 0.649 1.00 15.00 C ATOM 212 O GLY A 248 -7.808 9.412 1.695 1.00 15.00 O ATOM 0 H GLY A 248 -8.978 8.234 -2.093 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -8.236 10.148 -1.016 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.635 10.140 0.039 1.00 15.00 H new ATOM 216 N GLN A 249 -7.661 7.581 0.405 1.00 15.00 N ATOM 217 CA GLN A 249 -6.864 6.843 1.382 1.00 15.00 C ATOM 218 C GLN A 249 -5.594 6.310 0.732 1.00 15.00 C ATOM 219 O GLN A 249 -5.617 5.866 -0.418 1.00 15.00 O ATOM 220 CB GLN A 249 -7.656 5.669 1.971 1.00 15.00 C ATOM 221 CG GLN A 249 -9.147 5.909 2.067 1.00 15.00 C ATOM 222 CD GLN A 249 -9.897 4.775 2.742 1.00 15.00 C ATOM 223 OE1 GLN A 249 -10.322 3.794 1.958 1.00 15.00 O flip ATOM 224 NE2 GLN A 249 -10.092 4.780 3.956 1.00 15.00 N flip ATOM 0 H GLN A 249 -7.864 7.068 -0.453 1.00 15.00 H new ATOM 0 HA GLN A 249 -6.606 7.533 2.186 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -7.481 4.784 1.359 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -7.270 5.449 2.967 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -9.324 6.832 2.619 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -9.549 6.055 1.065 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -9.748 5.554 4.525 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -10.597 4.010 4.395 1.00 15.00 H new ATOM 233 N VAL A 250 -4.495 6.350 1.471 1.00 15.00 N ATOM 234 CA VAL A 250 -3.233 5.804 0.992 1.00 15.00 C ATOM 235 C VAL A 250 -3.078 4.351 1.433 1.00 15.00 C ATOM 236 O VAL A 250 -3.233 4.033 2.610 1.00 15.00 O ATOM 237 CB VAL A 250 -2.017 6.628 1.491 1.00 15.00 C ATOM 238 CG1 VAL A 250 -2.004 8.008 0.851 1.00 15.00 C ATOM 239 CG2 VAL A 250 -2.020 6.748 3.010 1.00 15.00 C ATOM 0 H VAL A 250 -4.451 6.755 2.406 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.255 5.857 -0.096 1.00 15.00 H new ATOM 0 HB VAL A 250 -1.112 6.098 1.195 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -1.143 8.570 1.214 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -1.940 7.906 -0.232 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -2.920 8.539 1.112 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -1.156 7.331 3.331 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.934 7.246 3.334 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.972 5.754 3.454 1.00 15.00 H new ATOM 249 N TYR A 251 -2.804 3.469 0.482 1.00 15.00 N ATOM 250 CA TYR A 251 -2.544 2.075 0.803 1.00 15.00 C ATOM 251 C TYR A 251 -1.238 1.620 0.157 1.00 15.00 C ATOM 252 O TYR A 251 -1.015 1.832 -1.038 1.00 15.00 O ATOM 253 CB TYR A 251 -3.742 1.170 0.427 1.00 15.00 C ATOM 254 CG TYR A 251 -4.271 1.277 -0.996 1.00 15.00 C ATOM 255 CD1 TYR A 251 -5.191 2.260 -1.357 1.00 15.00 C ATOM 256 CD2 TYR A 251 -3.901 0.352 -1.971 1.00 15.00 C ATOM 257 CE1 TYR A 251 -5.707 2.309 -2.630 1.00 15.00 C ATOM 258 CE2 TYR A 251 -4.405 0.403 -3.238 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.316 1.383 -3.569 1.00 15.00 C ATOM 260 OH TYR A 251 -5.839 1.445 -4.837 1.00 15.00 O ATOM 0 H TYR A 251 -2.756 3.693 -0.512 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.426 1.982 1.883 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.452 0.134 0.603 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.562 1.392 1.110 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -5.502 2.993 -0.627 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -3.196 -0.426 -1.717 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -6.421 3.076 -2.893 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -4.092 -0.320 -3.977 1.00 15.00 H new ATOM 0 HH TYR A 251 -6.346 0.627 -5.022 1.00 15.00 H new ATOM 270 N PHE A 252 -0.379 0.997 0.961 1.00 15.00 N ATOM 271 CA PHE A 252 0.963 0.635 0.524 1.00 15.00 C ATOM 272 C PHE A 252 0.991 -0.740 -0.091 1.00 15.00 C ATOM 273 O PHE A 252 0.812 -1.747 0.599 1.00 15.00 O ATOM 274 CB PHE A 252 1.951 0.675 1.691 1.00 15.00 C ATOM 275 CG PHE A 252 2.405 2.071 2.017 1.00 15.00 C ATOM 276 CD1 PHE A 252 2.998 2.859 1.044 1.00 15.00 C ATOM 277 CD2 PHE A 252 2.226 2.608 3.286 1.00 15.00 C ATOM 278 CE1 PHE A 252 3.399 4.152 1.326 1.00 15.00 C ATOM 279 CE2 PHE A 252 2.631 3.898 3.569 1.00 15.00 C ATOM 280 CZ PHE A 252 3.214 4.671 2.588 1.00 15.00 C ATOM 0 H PHE A 252 -0.592 0.732 1.923 1.00 15.00 H new ATOM 0 HA PHE A 252 1.257 1.368 -0.228 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.485 0.233 2.572 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.819 0.062 1.448 1.00 15.00 H new ATOM 0 HD1 PHE A 252 3.149 2.458 0.053 1.00 15.00 H new ATOM 0 HD2 PHE A 252 1.765 2.011 4.059 1.00 15.00 H new ATOM 0 HE1 PHE A 252 3.857 4.755 0.556 1.00 15.00 H new ATOM 0 HE2 PHE A 252 2.491 4.302 4.561 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.525 5.681 2.809 1.00 15.00 H new ATOM 290 N LEU A 253 1.205 -0.776 -1.397 1.00 15.00 N ATOM 291 CA LEU A 253 1.261 -2.030 -2.116 1.00 15.00 C ATOM 292 C LEU A 253 2.653 -2.424 -2.552 1.00 15.00 C ATOM 293 O LEU A 253 3.425 -1.639 -3.099 1.00 15.00 O ATOM 294 CB LEU A 253 0.257 -2.081 -3.271 1.00 15.00 C ATOM 295 CG LEU A 253 -1.097 -2.664 -2.877 1.00 15.00 C ATOM 296 CD1 LEU A 253 -1.075 -4.151 -3.162 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.375 -2.394 -1.412 1.00 15.00 C ATOM 0 H LEU A 253 1.342 0.052 -1.977 1.00 15.00 H new ATOM 0 HA LEU A 253 0.961 -2.789 -1.393 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.110 -1.073 -3.659 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.678 -2.676 -4.081 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.894 -2.196 -3.454 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -2.035 -4.588 -2.887 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -0.892 -4.315 -4.224 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.282 -4.621 -2.580 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.344 -2.814 -1.142 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.597 -2.855 -0.803 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.384 -1.318 -1.236 1.00 15.00 H new ATOM 309 N HIS A 254 2.932 -3.679 -2.281 1.00 15.00 N ATOM 310 CA HIS A 254 4.191 -4.315 -2.599 1.00 15.00 C ATOM 311 C HIS A 254 3.904 -5.734 -2.998 1.00 15.00 C ATOM 312 O HIS A 254 3.747 -6.603 -2.130 1.00 15.00 O ATOM 313 CB HIS A 254 5.120 -4.310 -1.383 1.00 15.00 C ATOM 314 CG HIS A 254 6.302 -5.237 -1.467 1.00 15.00 C ATOM 315 ND1 HIS A 254 7.346 -5.286 -2.328 1.00 15.00 N flip ATOM 316 CD2 HIS A 254 6.490 -6.280 -0.584 1.00 15.00 C flip ATOM 317 CE1 HIS A 254 8.131 -6.348 -1.955 1.00 15.00 C flip ATOM 318 NE2 HIS A 254 7.593 -6.932 -0.902 1.00 15.00 N flip ATOM 0 H HIS A 254 2.270 -4.304 -1.820 1.00 15.00 H new ATOM 0 HA HIS A 254 4.682 -3.773 -3.407 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.487 -3.295 -1.232 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.536 -4.573 -0.501 1.00 15.00 H new ATOM 0 HD2 HIS A 254 5.836 -6.525 0.240 1.00 15.00 H new ATOM 0 HE1 HIS A 254 9.043 -6.656 -2.445 1.00 15.00 H new ATOM 0 HE2 HIS A 254 7.965 -7.748 -0.416 1.00 15.00 H new ATOM 327 N THR A 255 3.779 -6.003 -4.274 1.00 15.00 N ATOM 328 CA THR A 255 3.469 -7.363 -4.615 1.00 15.00 C ATOM 329 C THR A 255 4.747 -8.154 -4.822 1.00 15.00 C ATOM 330 O THR A 255 5.308 -8.235 -5.910 1.00 15.00 O ATOM 331 CB THR A 255 2.582 -7.441 -5.874 1.00 15.00 C ATOM 332 OG1 THR A 255 1.455 -6.569 -5.717 1.00 15.00 O ATOM 333 CG2 THR A 255 2.090 -8.862 -6.109 1.00 15.00 C ATOM 0 H THR A 255 3.879 -5.345 -5.047 1.00 15.00 H new ATOM 0 HA THR A 255 2.910 -7.797 -3.786 1.00 15.00 H new ATOM 0 HB THR A 255 3.177 -7.135 -6.734 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.891 -6.616 -6.517 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.467 -8.888 -7.003 1.00 15.00 H new ATOM 0 HG22 THR A 255 2.944 -9.525 -6.243 1.00 15.00 H new ATOM 0 HG23 THR A 255 1.506 -9.192 -5.250 1.00 15.00 H new ATOM 341 N GLN A 256 5.209 -8.681 -3.708 1.00 15.00 N ATOM 342 CA GLN A 256 6.030 -9.867 -3.637 1.00 15.00 C ATOM 343 C GLN A 256 5.147 -11.031 -3.232 1.00 15.00 C ATOM 344 O GLN A 256 5.139 -12.099 -3.839 1.00 15.00 O ATOM 345 CB GLN A 256 7.146 -9.663 -2.611 1.00 15.00 C ATOM 346 CG GLN A 256 7.779 -10.947 -2.118 1.00 15.00 C ATOM 347 CD GLN A 256 8.795 -10.712 -1.022 1.00 15.00 C ATOM 348 OE1 GLN A 256 9.436 -9.663 -0.964 1.00 15.00 O ATOM 349 NE2 GLN A 256 8.938 -11.686 -0.140 1.00 15.00 N ATOM 0 H GLN A 256 5.014 -8.277 -2.792 1.00 15.00 H new ATOM 0 HA GLN A 256 6.489 -10.070 -4.605 1.00 15.00 H new ATOM 0 HB2 GLN A 256 7.920 -9.036 -3.053 1.00 15.00 H new ATOM 0 HB3 GLN A 256 6.744 -9.118 -1.757 1.00 15.00 H new ATOM 0 HG2 GLN A 256 7.000 -11.613 -1.749 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.262 -11.454 -2.954 1.00 15.00 H new ATOM 0 HE21 GLN A 256 8.385 -12.539 -0.228 1.00 15.00 H new ATOM 0 HE22 GLN A 256 9.601 -11.585 0.628 1.00 15.00 H new ATOM 358 N THR A 257 4.399 -10.762 -2.167 1.00 15.00 N ATOM 359 CA THR A 257 3.621 -11.747 -1.458 1.00 15.00 C ATOM 360 C THR A 257 2.271 -11.174 -1.180 1.00 15.00 C ATOM 361 O THR A 257 1.518 -11.576 -0.291 1.00 15.00 O ATOM 362 CB THR A 257 4.358 -12.070 -0.172 1.00 15.00 C ATOM 363 OG1 THR A 257 3.864 -13.260 0.452 1.00 15.00 O ATOM 364 CG2 THR A 257 4.321 -10.896 0.800 1.00 15.00 C ATOM 0 H THR A 257 4.321 -9.826 -1.770 1.00 15.00 H new ATOM 0 HA THR A 257 3.491 -12.661 -2.038 1.00 15.00 H new ATOM 0 HB THR A 257 5.397 -12.254 -0.446 1.00 15.00 H new ATOM 0 HG1 THR A 257 2.885 -13.230 0.484 1.00 15.00 H new ATOM 0 HG21 THR A 257 4.858 -11.161 1.711 1.00 15.00 H new ATOM 0 HG22 THR A 257 4.793 -10.028 0.340 1.00 15.00 H new ATOM 0 HG23 THR A 257 3.286 -10.659 1.045 1.00 15.00 H new ATOM 372 N GLY A 258 2.012 -10.247 -2.023 1.00 15.00 N ATOM 373 CA GLY A 258 0.826 -9.434 -1.948 1.00 15.00 C ATOM 374 C GLY A 258 0.738 -8.635 -0.661 1.00 15.00 C ATOM 375 O GLY A 258 -0.048 -8.969 0.223 1.00 15.00 O ATOM 0 H GLY A 258 2.622 -10.015 -2.807 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.806 -8.750 -2.796 1.00 15.00 H new ATOM 0 HA3 GLY A 258 -0.053 -10.073 -2.034 1.00 15.00 H new ATOM 379 N VAL A 259 1.539 -7.580 -0.545 1.00 15.00 N ATOM 380 CA VAL A 259 1.327 -6.628 0.553 1.00 15.00 C ATOM 381 C VAL A 259 0.366 -5.539 0.152 1.00 15.00 C ATOM 382 O VAL A 259 0.634 -4.748 -0.747 1.00 15.00 O ATOM 383 CB VAL A 259 2.617 -5.945 1.084 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.274 -4.832 2.069 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.459 -6.984 1.773 1.00 15.00 C ATOM 0 H VAL A 259 2.315 -7.362 -1.170 1.00 15.00 H new ATOM 0 HA VAL A 259 0.924 -7.243 1.357 1.00 15.00 H new ATOM 0 HB VAL A 259 3.161 -5.505 0.248 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.193 -4.368 2.428 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.659 -4.082 1.571 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.725 -5.249 2.913 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.370 -6.521 2.152 1.00 15.00 H new ATOM 0 HG22 VAL A 259 2.898 -7.415 2.602 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.720 -7.770 1.064 1.00 15.00 H new ATOM 395 N SER A 260 -0.755 -5.543 0.848 1.00 15.00 N ATOM 396 CA SER A 260 -1.768 -4.501 0.738 1.00 15.00 C ATOM 397 C SER A 260 -2.155 -4.038 2.131 1.00 15.00 C ATOM 398 O SER A 260 -2.843 -4.747 2.865 1.00 15.00 O ATOM 399 CB SER A 260 -3.005 -4.975 -0.048 1.00 15.00 C ATOM 400 OG SER A 260 -3.362 -6.305 0.299 1.00 15.00 O ATOM 0 H SER A 260 -0.994 -6.277 1.515 1.00 15.00 H new ATOM 0 HA SER A 260 -1.346 -3.667 0.177 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.843 -4.308 0.153 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.802 -4.919 -1.117 1.00 15.00 H new ATOM 0 HG SER A 260 -3.370 -6.398 1.275 1.00 15.00 H new ATOM 406 N THR A 261 -1.670 -2.871 2.512 1.00 15.00 N ATOM 407 CA THR A 261 -1.778 -2.454 3.906 1.00 15.00 C ATOM 408 C THR A 261 -1.866 -0.938 4.064 1.00 15.00 C ATOM 409 O THR A 261 -1.360 -0.182 3.235 1.00 15.00 O ATOM 410 CB THR A 261 -0.594 -2.998 4.735 1.00 15.00 C ATOM 411 OG1 THR A 261 -0.814 -2.754 6.131 1.00 15.00 O ATOM 412 CG2 THR A 261 0.723 -2.366 4.304 1.00 15.00 C ATOM 0 H THR A 261 -1.206 -2.204 1.895 1.00 15.00 H new ATOM 0 HA THR A 261 -2.710 -2.876 4.281 1.00 15.00 H new ATOM 0 HB THR A 261 -0.531 -4.072 4.559 1.00 15.00 H new ATOM 0 HG1 THR A 261 0.048 -2.656 6.586 1.00 15.00 H new ATOM 0 HG21 THR A 261 1.535 -2.771 4.907 1.00 15.00 H new ATOM 0 HG22 THR A 261 0.906 -2.588 3.253 1.00 15.00 H new ATOM 0 HG23 THR A 261 0.671 -1.286 4.443 1.00 15.00 H new ATOM 420 N TRP A 262 -2.551 -0.508 5.124 1.00 15.00 N ATOM 421 CA TRP A 262 -2.631 0.907 5.469 1.00 15.00 C ATOM 422 C TRP A 262 -1.296 1.421 5.993 1.00 15.00 C ATOM 423 O TRP A 262 -0.946 2.585 5.793 1.00 15.00 O ATOM 424 CB TRP A 262 -3.668 1.161 6.567 1.00 15.00 C ATOM 425 CG TRP A 262 -5.094 0.920 6.189 1.00 15.00 C ATOM 426 CD1 TRP A 262 -5.942 0.012 6.756 1.00 15.00 C ATOM 427 CD2 TRP A 262 -5.851 1.602 5.184 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.178 0.108 6.190 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.147 1.064 5.220 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.572 2.617 4.259 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -8.150 1.501 4.380 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -6.586 3.039 3.418 1.00 15.00 C ATOM 433 CH2 TRP A 262 -7.857 2.474 3.494 1.00 15.00 C ATOM 0 H TRP A 262 -3.059 -1.124 5.759 1.00 15.00 H new ATOM 0 HA TRP A 262 -2.913 1.426 4.553 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.427 0.527 7.421 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.570 2.194 6.899 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -5.672 -0.681 7.539 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -7.994 -0.446 6.450 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.588 3.059 4.204 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -9.142 1.076 4.431 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -6.390 3.816 2.694 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -8.629 2.825 2.825 1.00 15.00 H new ATOM 444 N HIS A 263 -0.574 0.561 6.702 1.00 15.00 N ATOM 445 CA HIS A 263 0.585 1.004 7.465 1.00 15.00 C ATOM 446 C HIS A 263 1.809 1.136 6.574 1.00 15.00 C ATOM 447 O HIS A 263 2.079 0.274 5.735 1.00 15.00 O ATOM 448 CB HIS A 263 0.867 0.053 8.651 1.00 15.00 C ATOM 449 CG HIS A 263 1.769 -1.117 8.355 1.00 15.00 C ATOM 450 ND1 HIS A 263 1.495 -2.380 7.951 1.00 15.00 N flip ATOM 451 CD2 HIS A 263 3.139 -1.058 8.501 1.00 15.00 C flip ATOM 452 CE1 HIS A 263 2.689 -3.054 7.866 1.00 15.00 C flip ATOM 453 NE2 HIS A 263 3.663 -2.231 8.201 1.00 15.00 N flip ATOM 0 H HIS A 263 -0.769 -0.438 6.764 1.00 15.00 H new ATOM 0 HA HIS A 263 0.358 1.990 7.871 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.311 0.634 9.460 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -0.085 -0.330 9.019 1.00 15.00 H new ATOM 0 HD2 HIS A 263 3.696 -0.187 8.813 1.00 15.00 H new ATOM 0 HE1 HIS A 263 2.810 -4.087 7.573 1.00 15.00 H new ATOM 0 HE2 HIS A 263 4.656 -2.463 8.224 1.00 15.00 H new ATOM 462 N ASP A 264 2.537 2.226 6.766 1.00 15.00 N ATOM 463 CA ASP A 264 3.817 2.426 6.102 1.00 15.00 C ATOM 464 C ASP A 264 4.725 1.234 6.381 1.00 15.00 C ATOM 465 O ASP A 264 4.872 0.808 7.523 1.00 15.00 O ATOM 466 CB ASP A 264 4.455 3.728 6.593 1.00 15.00 C ATOM 467 CG ASP A 264 5.735 4.070 5.864 1.00 15.00 C ATOM 468 OD1 ASP A 264 6.769 3.424 6.136 1.00 15.00 O ATOM 469 OD2 ASP A 264 5.716 5.001 5.029 1.00 15.00 O1- ATOM 0 H ASP A 264 2.260 2.991 7.381 1.00 15.00 H new ATOM 0 HA ASP A 264 3.668 2.503 5.025 1.00 15.00 H new ATOM 0 HB2 ASP A 264 3.743 4.544 6.469 1.00 15.00 H new ATOM 0 HB3 ASP A 264 4.662 3.645 7.660 1.00 15.00 H new ATOM 474 N PRO A 265 5.334 0.657 5.351 1.00 15.00 N ATOM 475 CA PRO A 265 6.082 -0.589 5.488 1.00 15.00 C ATOM 476 C PRO A 265 7.438 -0.427 6.114 1.00 15.00 C ATOM 477 O PRO A 265 8.075 -1.405 6.508 1.00 15.00 O ATOM 478 CB PRO A 265 6.220 -1.068 4.057 1.00 15.00 C ATOM 479 CG PRO A 265 6.230 0.184 3.247 1.00 15.00 C ATOM 480 CD PRO A 265 5.333 1.154 3.965 1.00 15.00 C ATOM 0 HA PRO A 265 5.566 -1.281 6.154 1.00 15.00 H new ATOM 0 HB2 PRO A 265 7.137 -1.640 3.916 1.00 15.00 H new ATOM 0 HB3 PRO A 265 5.392 -1.718 3.774 1.00 15.00 H new ATOM 0 HG2 PRO A 265 7.241 0.582 3.157 1.00 15.00 H new ATOM 0 HG3 PRO A 265 5.870 -0.004 2.235 1.00 15.00 H new ATOM 0 HD2 PRO A 265 5.713 2.174 3.903 1.00 15.00 H new ATOM 0 HD3 PRO A 265 4.329 1.162 3.542 1.00 15.00 H new ATOM 488 N ARG A 266 7.893 0.792 6.175 1.00 15.00 N ATOM 489 CA ARG A 266 9.158 1.080 6.785 1.00 15.00 C ATOM 490 C ARG A 266 8.951 1.245 8.269 1.00 15.00 C ATOM 491 O ARG A 266 9.885 1.447 9.047 1.00 15.00 O ATOM 492 CB ARG A 266 9.714 2.328 6.166 1.00 15.00 C ATOM 493 CG ARG A 266 11.186 2.509 6.426 1.00 15.00 C ATOM 494 CD ARG A 266 11.977 1.284 5.991 1.00 15.00 C ATOM 495 NE ARG A 266 12.124 0.312 7.078 1.00 15.00 N ATOM 496 CZ ARG A 266 12.831 -0.817 6.989 1.00 15.00 C ATOM 497 NH1 ARG A 266 13.532 -1.086 5.893 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 12.863 -1.664 8.009 1.00 15.00 N ATOM 0 H ARG A 266 7.402 1.607 5.807 1.00 15.00 H new ATOM 0 HA ARG A 266 9.869 0.269 6.625 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.541 2.301 5.090 1.00 15.00 H new ATOM 0 HB3 ARG A 266 9.173 3.191 6.554 1.00 15.00 H new ATOM 0 HG2 ARG A 266 11.547 3.387 5.891 1.00 15.00 H new ATOM 0 HG3 ARG A 266 11.350 2.693 7.488 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.477 0.810 5.146 1.00 15.00 H new ATOM 0 HD3 ARG A 266 12.963 1.593 5.645 1.00 15.00 H new ATOM 0 HE ARG A 266 11.655 0.511 7.961 1.00 15.00 H new ATOM 0 HH11 ARG A 266 13.532 -0.428 5.113 1.00 15.00 H new ATOM 0 HH12 ARG A 266 14.070 -1.950 5.831 1.00 15.00 H new ATOM 0 HH21 ARG A 266 12.347 -1.453 8.863 1.00 15.00 H new ATOM 0 HH22 ARG A 266 13.404 -2.526 7.939 1.00 15.00 H new ATOM 512 N ILE A 267 7.696 1.147 8.623 1.00 15.00 N ATOM 513 CA ILE A 267 7.271 1.199 10.022 1.00 15.00 C ATOM 514 C ILE A 267 7.595 -0.119 10.709 1.00 15.00 C ATOM 515 O ILE A 267 7.035 -1.155 10.293 1.00 15.00 O ATOM 516 CB ILE A 267 5.759 1.487 10.187 1.00 15.00 C ATOM 517 CG1 ILE A 267 5.374 2.827 9.553 1.00 15.00 C ATOM 518 CG2 ILE A 267 5.368 1.470 11.659 1.00 15.00 C ATOM 519 CD1 ILE A 267 6.195 4.002 10.045 1.00 15.00 C ATOM 520 OXT ILE A 267 8.405 -0.120 11.660 1.00 15.00 O ATOM 0 H ILE A 267 6.930 1.029 7.960 1.00 15.00 H new ATOM 0 HA ILE A 267 7.816 2.024 10.481 1.00 15.00 H new ATOM 0 HB ILE A 267 5.214 0.699 9.668 1.00 15.00 H new ATOM 0 HG12 ILE A 267 5.482 2.749 8.471 1.00 15.00 H new ATOM 0 HG13 ILE A 267 4.321 3.023 9.755 1.00 15.00 H new ATOM 0 HG21 ILE A 267 4.302 1.674 11.755 1.00 15.00 H new ATOM 0 HG22 ILE A 267 5.589 0.490 12.083 1.00 15.00 H new ATOM 0 HG23 ILE A 267 5.933 2.233 12.194 1.00 15.00 H new ATOM 0 HD11 ILE A 267 5.861 4.913 9.548 1.00 15.00 H new ATOM 0 HD12 ILE A 267 6.068 4.109 11.122 1.00 15.00 H new ATOM 0 HD13 ILE A 267 7.247 3.831 9.819 1.00 15.00 H new TER 532 ILE A 267 ATOM 533 N THR B 208 1.850 2.740 -8.962 1.00 15.00 N ATOM 534 CA THR B 208 0.477 3.084 -9.382 1.00 15.00 C ATOM 535 C THR B 208 -0.225 1.870 -9.993 1.00 15.00 C ATOM 536 O THR B 208 -1.121 2.010 -10.827 1.00 15.00 O ATOM 537 CB THR B 208 0.507 4.231 -10.405 1.00 15.00 C ATOM 538 OG1 THR B 208 1.418 3.913 -11.464 1.00 15.00 O ATOM 539 CG2 THR B 208 0.925 5.531 -9.740 1.00 15.00 C ATOM 0 HA THR B 208 -0.078 3.401 -8.499 1.00 15.00 H new ATOM 0 HB THR B 208 -0.495 4.357 -10.814 1.00 15.00 H new ATOM 0 HG1 THR B 208 2.170 3.398 -11.105 1.00 15.00 H new ATOM 0 HG21 THR B 208 0.940 6.330 -10.481 1.00 15.00 H new ATOM 0 HG22 THR B 208 0.215 5.781 -8.951 1.00 15.00 H new ATOM 0 HG23 THR B 208 1.920 5.416 -9.310 1.00 15.00 H new ATOM 549 N SER B 209 0.168 0.678 -9.556 1.00 15.00 N ATOM 550 CA SER B 209 -0.381 -0.557 -10.089 1.00 15.00 C ATOM 551 C SER B 209 -0.768 -1.505 -8.957 1.00 15.00 C ATOM 552 O SER B 209 0.091 -2.030 -8.254 1.00 15.00 O ATOM 553 CB SER B 209 0.637 -1.215 -11.026 1.00 15.00 C ATOM 554 OG SER B 209 1.944 -1.175 -10.468 1.00 15.00 O ATOM 0 H SER B 209 0.870 0.544 -8.828 1.00 15.00 H new ATOM 0 HA SER B 209 -1.283 -0.328 -10.657 1.00 15.00 H new ATOM 0 HB2 SER B 209 0.349 -2.250 -11.213 1.00 15.00 H new ATOM 0 HB3 SER B 209 0.633 -0.704 -11.989 1.00 15.00 H new ATOM 0 HG SER B 209 1.888 -1.289 -9.496 1.00 15.00 H new HETATM 560 N SEP B 210 -2.064 -1.702 -8.771 1.00 15.00 N HETATM 561 CA SEP B 210 -2.556 -2.556 -7.706 1.00 15.00 C HETATM 562 CB SEP B 210 -3.231 -1.689 -6.623 1.00 15.00 C HETATM 563 OG SEP B 210 -4.252 -0.870 -7.181 1.00 15.00 O HETATM 564 C SEP B 210 -3.525 -3.589 -8.273 1.00 15.00 C HETATM 565 O SEP B 210 -4.212 -3.333 -9.267 1.00 15.00 O HETATM 566 P SEP B 210 -5.850 -1.207 -7.173 1.00 15.00 P HETATM 567 O1P SEP B 210 -6.469 -0.483 -8.288 1.00 15.00 O HETATM 568 O2P SEP B 210 -6.056 -2.644 -7.337 1.00 15.00 O HETATM 569 O3P SEP B 210 -6.434 -0.751 -5.910 1.00 15.00 O HETATM 0 HB3 SEP B 210 -3.657 -2.332 -5.853 1.00 15.00 H new HETATM 0 HB2 SEP B 210 -2.483 -1.062 -6.137 1.00 15.00 H new HETATM 0 HA SEP B 210 -1.725 -3.092 -7.249 1.00 15.00 H new ATOM 574 N ASP B 211 -3.533 -4.766 -7.670 1.00 15.00 N ATOM 575 CA ASP B 211 -4.565 -5.761 -7.929 1.00 15.00 C ATOM 576 C ASP B 211 -5.560 -5.936 -6.747 1.00 15.00 C ATOM 577 O ASP B 211 -6.611 -6.544 -6.945 1.00 15.00 O ATOM 578 CB ASP B 211 -3.942 -7.119 -8.268 1.00 15.00 C ATOM 579 CG ASP B 211 -3.565 -7.926 -7.039 1.00 15.00 C ATOM 580 OD1 ASP B 211 -2.456 -7.723 -6.507 1.00 15.00 O ATOM 581 OD2 ASP B 211 -4.368 -8.793 -6.621 1.00 15.00 O1- ATOM 0 H ASP B 211 -2.830 -5.059 -6.991 1.00 15.00 H new ATOM 0 HA ASP B 211 -5.130 -5.385 -8.782 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -4.645 -7.694 -8.871 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -3.053 -6.962 -8.878 1.00 15.00 H new ATOM 586 N PRO B 212 -5.275 -5.442 -5.503 1.00 15.00 N ATOM 587 CA PRO B 212 -6.126 -5.676 -4.346 1.00 15.00 C ATOM 588 C PRO B 212 -7.178 -4.584 -4.205 1.00 15.00 C ATOM 589 O PRO B 212 -7.022 -3.490 -4.744 1.00 15.00 O ATOM 590 CB PRO B 212 -5.133 -5.600 -3.196 1.00 15.00 C ATOM 591 CG PRO B 212 -4.197 -4.573 -3.594 1.00 15.00 C ATOM 592 CD PRO B 212 -4.160 -4.563 -5.097 1.00 15.00 C ATOM 0 HA PRO B 212 -6.679 -6.614 -4.400 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -5.629 -5.344 -2.260 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -4.632 -6.555 -3.040 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.507 -3.601 -3.210 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.207 -4.776 -3.186 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.287 -3.554 -5.490 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.206 -4.933 -5.473 1.00 15.00 H new ATOM 600 N GLY B 213 -8.233 -4.858 -3.468 1.00 15.00 N ATOM 601 CA GLY B 213 -9.250 -3.853 -3.290 1.00 15.00 C ATOM 602 C GLY B 213 -8.945 -2.992 -2.087 1.00 15.00 C ATOM 603 O GLY B 213 -8.184 -3.396 -1.203 1.00 15.00 O ATOM 0 H GLY B 213 -8.404 -5.745 -2.995 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.313 -3.230 -4.182 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.222 -4.330 -3.165 1.00 15.00 H new HETATM 607 N SEP B 214 -9.533 -1.812 -2.047 1.00 15.00 N HETATM 608 CA SEP B 214 -9.196 -0.831 -1.038 1.00 15.00 C HETATM 609 CB SEP B 214 -9.332 0.570 -1.643 1.00 15.00 C HETATM 610 OG SEP B 214 -10.548 0.707 -2.345 1.00 15.00 O HETATM 611 C SEP B 214 -10.091 -1.012 0.187 1.00 15.00 C HETATM 612 O SEP B 214 -11.291 -1.262 0.074 1.00 15.00 O HETATM 613 P SEP B 214 -11.425 2.060 -2.302 1.00 15.00 P HETATM 614 O1P SEP B 214 -12.824 1.710 -2.573 1.00 15.00 O HETATM 615 O2P SEP B 214 -11.284 2.649 -0.977 1.00 15.00 O HETATM 616 O3P SEP B 214 -10.919 2.970 -3.340 1.00 15.00 O HETATM 0 HB3 SEP B 214 -9.280 1.317 -0.851 1.00 15.00 H new HETATM 0 HB2 SEP B 214 -8.497 0.761 -2.317 1.00 15.00 H new HETATM 0 HA SEP B 214 -8.166 -0.965 -0.708 1.00 15.00 H new HETATM 0 H SEP B 214 -9.805 -1.509 -2.982 1.00 15.00 H new ATOM 621 N PRO B 215 -9.496 -0.898 1.379 1.00 15.00 N ATOM 622 CA PRO B 215 -10.163 -1.185 2.647 1.00 15.00 C ATOM 623 C PRO B 215 -10.874 0.035 3.228 1.00 15.00 C ATOM 624 O PRO B 215 -10.579 1.171 2.866 1.00 15.00 O ATOM 625 CB PRO B 215 -8.976 -1.587 3.562 1.00 15.00 C ATOM 626 CG PRO B 215 -7.755 -1.533 2.696 1.00 15.00 C ATOM 627 CD PRO B 215 -8.092 -0.577 1.595 1.00 15.00 C ATOM 0 HA PRO B 215 -10.940 -1.942 2.542 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -8.886 -0.905 4.407 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -9.120 -2.586 3.973 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -6.887 -1.192 3.261 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.510 -2.518 2.300 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.946 0.462 1.890 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.488 -0.743 0.703 1.00 15.00 H new ATOM 635 N PHE B 216 -11.820 -0.210 4.125 1.00 15.00 N ATOM 636 CA PHE B 216 -12.567 0.863 4.769 1.00 15.00 C ATOM 637 C PHE B 216 -12.354 0.816 6.275 1.00 15.00 C ATOM 638 O PHE B 216 -13.094 1.433 7.043 1.00 15.00 O ATOM 639 CB PHE B 216 -14.057 0.736 4.444 1.00 15.00 C ATOM 640 CG PHE B 216 -14.351 0.791 2.974 1.00 15.00 C ATOM 641 CD1 PHE B 216 -14.666 -0.361 2.272 1.00 15.00 C ATOM 642 CD2 PHE B 216 -14.302 1.995 2.291 1.00 15.00 C ATOM 643 CE1 PHE B 216 -14.924 -0.313 0.917 1.00 15.00 C ATOM 644 CE2 PHE B 216 -14.562 2.050 0.936 1.00 15.00 C ATOM 645 CZ PHE B 216 -14.874 0.895 0.248 1.00 15.00 C ATOM 0 H PHE B 216 -12.089 -1.147 4.424 1.00 15.00 H new ATOM 0 HA PHE B 216 -12.206 1.820 4.392 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -14.431 -0.205 4.847 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -14.601 1.536 4.946 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -14.710 -1.307 2.791 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -14.058 2.902 2.825 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -15.165 -1.219 0.380 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -14.521 2.995 0.415 1.00 15.00 H new ATOM 0 HZ PHE B 216 -15.079 0.935 -0.812 1.00 15.00 H new ATOM 655 N GLN B 217 -11.316 0.101 6.685 1.00 15.00 N ATOM 656 CA GLN B 217 -11.018 -0.078 8.098 1.00 15.00 C ATOM 657 C GLN B 217 -10.219 1.109 8.628 1.00 15.00 C ATOM 658 O GLN B 217 -8.980 1.096 8.499 1.00 15.00 O ATOM 659 CB GLN B 217 -10.228 -1.369 8.324 1.00 15.00 C ATOM 660 CG GLN B 217 -10.845 -2.605 7.685 1.00 15.00 C ATOM 661 CD GLN B 217 -12.296 -2.824 8.075 1.00 15.00 C ATOM 662 OE1 GLN B 217 -13.210 -2.379 7.381 1.00 15.00 O ATOM 663 NE2 GLN B 217 -12.512 -3.500 9.193 1.00 15.00 N ATOM 664 OXT GLN B 217 -10.836 2.050 9.170 1.00 15.00 O ATOM 0 H GLN B 217 -10.664 -0.366 6.055 1.00 15.00 H new ATOM 0 HA GLN B 217 -11.963 -0.143 8.637 1.00 15.00 H new ATOM 0 HB2 GLN B 217 -9.220 -1.237 7.931 1.00 15.00 H new ATOM 0 HB3 GLN B 217 -10.132 -1.539 9.396 1.00 15.00 H new ATOM 0 HG2 GLN B 217 -10.777 -2.517 6.601 1.00 15.00 H new ATOM 0 HG3 GLN B 217 -10.263 -3.481 7.971 1.00 15.00 H new ATOM 0 HE21 GLN B 217 -11.724 -3.851 9.737 1.00 15.00 H new ATOM 0 HE22 GLN B 217 -13.467 -3.670 9.510 1.00 15.00 H new TER 673 GLN B 217