USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=10 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 214 SEP H2 : B 214 SEP N : B 213 GLY C :(H bumps) USER MOD Set 1.1: A 242 GLN : amide:sc= 0.183 K(o=0.25,f=-2.5) USER MOD Set 1.2: A 244 THR OG1 : rot 100:sc= 0.0707 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 172:sc= 1.44 USER MOD Single : A 247 GLN : amide:sc= 0.362 K(o=0.36,f=-0.16) USER MOD Single : A 249 GLN : amide:sc= -6.27! K(o=-6.3!,f=-3.5) USER MOD Single : A 251 TYR OH : rot -139:sc= -0.267 USER MOD Single : A 254 HIS : no HD1:sc= -3.56! K(o=-3.6!,f=-1.5) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 44:sc= 0.0939 USER MOD Single : A 261 THR OG1 : rot 180:sc= 0 USER MOD Single : A 263 HIS : no HD1:sc= -0.926 K(o=-0.93,f=-2.5) USER MOD Single : B 208 THR OG1 : rot 21:sc= 0.177 USER MOD Single : B 209 SER OG : rot 180:sc= -0.0346 USER MOD Single : B 217 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 10.269 7.380 2.935 1.00 15.00 N ATOM 2 CA GLU A 235 11.248 6.551 2.198 1.00 15.00 C ATOM 3 C GLU A 235 11.064 5.088 2.568 1.00 15.00 C ATOM 4 O GLU A 235 11.277 4.707 3.714 1.00 15.00 O ATOM 5 CB GLU A 235 12.676 6.998 2.531 1.00 15.00 C ATOM 6 CG GLU A 235 13.751 6.247 1.759 1.00 15.00 C ATOM 7 CD GLU A 235 15.153 6.600 2.212 1.00 15.00 C ATOM 8 OE1 GLU A 235 15.699 7.622 1.743 1.00 15.00 O ATOM 9 OE2 GLU A 235 15.726 5.849 3.032 1.00 15.00 O1- ATOM 0 HA GLU A 235 11.082 6.674 1.128 1.00 15.00 H new ATOM 0 HB2 GLU A 235 12.771 8.064 2.324 1.00 15.00 H new ATOM 0 HB3 GLU A 235 12.849 6.865 3.599 1.00 15.00 H new ATOM 0 HG2 GLU A 235 13.595 5.175 1.877 1.00 15.00 H new ATOM 0 HG3 GLU A 235 13.651 6.468 0.696 1.00 15.00 H new ATOM 16 N LEU A 236 10.657 4.272 1.610 1.00 15.00 N ATOM 17 CA LEU A 236 10.376 2.872 1.887 1.00 15.00 C ATOM 18 C LEU A 236 11.521 1.997 1.406 1.00 15.00 C ATOM 19 O LEU A 236 12.416 2.463 0.702 1.00 15.00 O ATOM 20 CB LEU A 236 9.080 2.402 1.197 1.00 15.00 C ATOM 21 CG LEU A 236 7.821 3.245 1.437 1.00 15.00 C ATOM 22 CD1 LEU A 236 7.677 3.596 2.905 1.00 15.00 C ATOM 23 CD2 LEU A 236 7.824 4.500 0.576 1.00 15.00 C ATOM 0 H LEU A 236 10.514 4.552 0.640 1.00 15.00 H new ATOM 0 HA LEU A 236 10.256 2.780 2.966 1.00 15.00 H new ATOM 0 HB2 LEU A 236 9.262 2.363 0.123 1.00 15.00 H new ATOM 0 HB3 LEU A 236 8.873 1.383 1.523 1.00 15.00 H new ATOM 0 HG LEU A 236 6.959 2.645 1.146 1.00 15.00 H new ATOM 0 HD11 LEU A 236 6.777 4.194 3.050 1.00 15.00 H new ATOM 0 HD12 LEU A 236 7.603 2.681 3.492 1.00 15.00 H new ATOM 0 HD13 LEU A 236 8.547 4.166 3.230 1.00 15.00 H new ATOM 0 HD21 LEU A 236 6.919 5.076 0.769 1.00 15.00 H new ATOM 0 HD22 LEU A 236 8.698 5.105 0.818 1.00 15.00 H new ATOM 0 HD23 LEU A 236 7.858 4.219 -0.477 1.00 15.00 H new ATOM 35 N PRO A 237 11.503 0.711 1.781 1.00 15.00 N ATOM 36 CA PRO A 237 12.371 -0.288 1.160 1.00 15.00 C ATOM 37 C PRO A 237 11.937 -0.554 -0.272 1.00 15.00 C ATOM 38 O PRO A 237 10.780 -0.340 -0.639 1.00 15.00 O ATOM 39 CB PRO A 237 12.159 -1.547 2.012 1.00 15.00 C ATOM 40 CG PRO A 237 11.492 -1.083 3.261 1.00 15.00 C ATOM 41 CD PRO A 237 10.723 0.155 2.898 1.00 15.00 C ATOM 0 HA PRO A 237 13.412 0.031 1.121 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.542 -2.276 1.486 1.00 15.00 H new ATOM 0 HB3 PRO A 237 13.109 -2.034 2.233 1.00 15.00 H new ATOM 0 HG2 PRO A 237 10.827 -1.852 3.654 1.00 15.00 H new ATOM 0 HG3 PRO A 237 12.227 -0.870 4.037 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.700 -0.077 2.600 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.661 0.852 3.734 1.00 15.00 H new ATOM 49 N GLU A 238 12.862 -1.047 -1.069 1.00 15.00 N ATOM 50 CA GLU A 238 12.631 -1.203 -2.498 1.00 15.00 C ATOM 51 C GLU A 238 11.617 -2.312 -2.770 1.00 15.00 C ATOM 52 O GLU A 238 11.816 -3.470 -2.393 1.00 15.00 O ATOM 53 CB GLU A 238 13.952 -1.506 -3.208 1.00 15.00 C ATOM 54 CG GLU A 238 14.134 -0.756 -4.516 1.00 15.00 C ATOM 55 CD GLU A 238 13.169 -1.189 -5.597 1.00 15.00 C ATOM 56 OE1 GLU A 238 12.057 -0.625 -5.675 1.00 15.00 O ATOM 57 OE2 GLU A 238 13.532 -2.078 -6.396 1.00 15.00 O1- ATOM 0 H GLU A 238 13.784 -1.348 -0.755 1.00 15.00 H new ATOM 0 HA GLU A 238 12.222 -0.270 -2.886 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.777 -1.258 -2.540 1.00 15.00 H new ATOM 0 HB3 GLU A 238 14.011 -2.577 -3.403 1.00 15.00 H new ATOM 0 HG2 GLU A 238 14.009 0.311 -4.334 1.00 15.00 H new ATOM 0 HG3 GLU A 238 15.154 -0.902 -4.871 1.00 15.00 H new ATOM 64 N GLY A 239 10.528 -1.943 -3.433 1.00 15.00 N ATOM 65 CA GLY A 239 9.478 -2.896 -3.719 1.00 15.00 C ATOM 66 C GLY A 239 8.088 -2.356 -3.430 1.00 15.00 C ATOM 67 O GLY A 239 7.095 -2.951 -3.849 1.00 15.00 O ATOM 0 H GLY A 239 10.355 -0.999 -3.777 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.537 -3.189 -4.767 1.00 15.00 H new ATOM 0 HA3 GLY A 239 9.642 -3.796 -3.127 1.00 15.00 H new ATOM 71 N TYR A 240 8.000 -1.248 -2.702 1.00 15.00 N ATOM 72 CA TYR A 240 6.698 -0.669 -2.371 1.00 15.00 C ATOM 73 C TYR A 240 6.361 0.482 -3.301 1.00 15.00 C ATOM 74 O TYR A 240 7.161 1.400 -3.484 1.00 15.00 O ATOM 75 CB TYR A 240 6.664 -0.147 -0.927 1.00 15.00 C ATOM 76 CG TYR A 240 7.014 -1.178 0.113 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.275 -1.210 0.683 1.00 15.00 C ATOM 78 CD2 TYR A 240 6.090 -2.126 0.513 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.611 -2.160 1.617 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.412 -3.083 1.454 1.00 15.00 C ATOM 81 CZ TYR A 240 7.679 -3.099 2.000 1.00 15.00 C ATOM 82 OH TYR A 240 8.010 -4.058 2.928 1.00 15.00 O ATOM 0 H TYR A 240 8.802 -0.737 -2.333 1.00 15.00 H new ATOM 0 HA TYR A 240 5.964 -1.467 -2.486 1.00 15.00 H new ATOM 0 HB2 TYR A 240 7.357 0.690 -0.839 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.667 0.241 -0.717 1.00 15.00 H new ATOM 0 HD1 TYR A 240 9.009 -0.474 0.388 1.00 15.00 H new ATOM 0 HD2 TYR A 240 5.100 -2.117 0.082 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.601 -2.170 2.049 1.00 15.00 H new ATOM 0 HE2 TYR A 240 5.678 -3.814 1.761 1.00 15.00 H new ATOM 0 HH TYR A 240 7.238 -4.641 3.086 1.00 15.00 H new ATOM 92 N GLU A 241 5.174 0.437 -3.874 1.00 15.00 N ATOM 93 CA GLU A 241 4.647 1.570 -4.605 1.00 15.00 C ATOM 94 C GLU A 241 3.577 2.252 -3.760 1.00 15.00 C ATOM 95 O GLU A 241 2.742 1.593 -3.131 1.00 15.00 O ATOM 96 CB GLU A 241 4.087 1.148 -5.970 1.00 15.00 C ATOM 97 CG GLU A 241 3.003 0.088 -5.911 1.00 15.00 C ATOM 98 CD GLU A 241 2.342 -0.123 -7.256 1.00 15.00 C ATOM 99 OE1 GLU A 241 1.151 0.214 -7.396 1.00 15.00 O ATOM 100 OE2 GLU A 241 3.020 -0.596 -8.195 1.00 15.00 O1- ATOM 0 H GLU A 241 4.556 -0.374 -3.847 1.00 15.00 H new ATOM 0 HA GLU A 241 5.457 2.273 -4.801 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.687 2.029 -6.472 1.00 15.00 H new ATOM 0 HB3 GLU A 241 4.907 0.776 -6.584 1.00 15.00 H new ATOM 0 HG2 GLU A 241 3.434 -0.852 -5.567 1.00 15.00 H new ATOM 0 HG3 GLU A 241 2.250 0.380 -5.179 1.00 15.00 H new ATOM 107 N GLN A 242 3.611 3.569 -3.741 1.00 15.00 N ATOM 108 CA GLN A 242 2.685 4.343 -2.938 1.00 15.00 C ATOM 109 C GLN A 242 1.441 4.648 -3.763 1.00 15.00 C ATOM 110 O GLN A 242 1.533 5.273 -4.822 1.00 15.00 O ATOM 111 CB GLN A 242 3.379 5.637 -2.472 1.00 15.00 C ATOM 112 CG GLN A 242 2.597 6.448 -1.444 1.00 15.00 C ATOM 113 CD GLN A 242 1.474 7.262 -2.051 1.00 15.00 C ATOM 114 OE1 GLN A 242 1.563 7.723 -3.192 1.00 15.00 O ATOM 115 NE2 GLN A 242 0.406 7.432 -1.295 1.00 15.00 N ATOM 0 H GLN A 242 4.274 4.129 -4.276 1.00 15.00 H new ATOM 0 HA GLN A 242 2.381 3.780 -2.056 1.00 15.00 H new ATOM 0 HB2 GLN A 242 4.350 5.380 -2.049 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.567 6.265 -3.343 1.00 15.00 H new ATOM 0 HG2 GLN A 242 2.183 5.771 -0.697 1.00 15.00 H new ATOM 0 HG3 GLN A 242 3.281 7.118 -0.923 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.376 7.032 -0.357 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -0.390 7.963 -1.649 1.00 15.00 H new ATOM 124 N ARG A 243 0.282 4.183 -3.303 1.00 15.00 N ATOM 125 CA ARG A 243 -0.956 4.448 -4.015 1.00 15.00 C ATOM 126 C ARG A 243 -1.973 5.163 -3.135 1.00 15.00 C ATOM 127 O ARG A 243 -2.246 4.757 -2.006 1.00 15.00 O ATOM 128 CB ARG A 243 -1.573 3.167 -4.577 1.00 15.00 C ATOM 129 CG ARG A 243 -2.849 3.460 -5.346 1.00 15.00 C ATOM 130 CD ARG A 243 -3.245 2.345 -6.299 1.00 15.00 C ATOM 131 NE ARG A 243 -4.103 2.839 -7.391 1.00 15.00 N ATOM 132 CZ ARG A 243 -5.225 3.568 -7.238 1.00 15.00 C ATOM 133 NH1 ARG A 243 -5.736 3.796 -6.036 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -5.862 4.027 -8.307 1.00 15.00 N ATOM 0 H ARG A 243 0.178 3.629 -2.453 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.696 5.102 -4.847 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.856 2.673 -5.233 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -1.788 2.476 -3.762 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.661 3.629 -4.639 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.721 4.383 -5.911 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -2.348 1.890 -6.719 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -3.770 1.565 -5.748 1.00 15.00 H new ATOM 0 HE ARG A 243 -3.823 2.609 -8.344 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -5.278 3.417 -5.207 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -6.587 4.351 -5.940 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -5.502 3.827 -9.240 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -6.712 4.580 -8.196 1.00 15.00 H new ATOM 148 N THR A 244 -2.555 6.207 -3.698 1.00 15.00 N ATOM 149 CA THR A 244 -3.591 6.985 -3.043 1.00 15.00 C ATOM 150 C THR A 244 -4.862 6.938 -3.880 1.00 15.00 C ATOM 151 O THR A 244 -4.852 7.295 -5.059 1.00 15.00 O ATOM 152 CB THR A 244 -3.164 8.457 -2.875 1.00 15.00 C ATOM 153 OG1 THR A 244 -1.854 8.528 -2.302 1.00 15.00 O ATOM 154 CG2 THR A 244 -4.146 9.215 -1.991 1.00 15.00 C ATOM 0 H THR A 244 -2.319 6.542 -4.632 1.00 15.00 H new ATOM 0 HA THR A 244 -3.763 6.556 -2.056 1.00 15.00 H new ATOM 0 HB THR A 244 -3.157 8.919 -3.862 1.00 15.00 H new ATOM 0 HG1 THR A 244 -1.196 8.692 -3.009 1.00 15.00 H new ATOM 0 HG21 THR A 244 -3.820 10.250 -1.890 1.00 15.00 H new ATOM 0 HG22 THR A 244 -5.137 9.189 -2.443 1.00 15.00 H new ATOM 0 HG23 THR A 244 -4.184 8.749 -1.007 1.00 15.00 H new ATOM 162 N THR A 245 -5.943 6.477 -3.287 1.00 15.00 N ATOM 163 CA THR A 245 -7.215 6.438 -3.980 1.00 15.00 C ATOM 164 C THR A 245 -8.022 7.695 -3.678 1.00 15.00 C ATOM 165 O THR A 245 -7.865 8.294 -2.612 1.00 15.00 O ATOM 166 CB THR A 245 -8.019 5.161 -3.620 1.00 15.00 C ATOM 167 OG1 THR A 245 -9.385 5.287 -4.035 1.00 15.00 O ATOM 168 CG2 THR A 245 -7.956 4.860 -2.129 1.00 15.00 C ATOM 0 H THR A 245 -5.968 6.125 -2.330 1.00 15.00 H new ATOM 0 HA THR A 245 -7.015 6.404 -5.051 1.00 15.00 H new ATOM 0 HB THR A 245 -7.560 4.329 -4.154 1.00 15.00 H new ATOM 0 HG1 THR A 245 -9.844 4.430 -3.914 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.531 3.959 -1.915 1.00 15.00 H new ATOM 0 HG22 THR A 245 -6.918 4.708 -1.832 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.374 5.698 -1.571 1.00 15.00 H new ATOM 176 N VAL A 246 -8.855 8.105 -4.636 1.00 15.00 N ATOM 177 CA VAL A 246 -9.750 9.258 -4.467 1.00 15.00 C ATOM 178 C VAL A 246 -10.620 9.102 -3.224 1.00 15.00 C ATOM 179 O VAL A 246 -11.185 10.066 -2.709 1.00 15.00 O ATOM 180 CB VAL A 246 -10.657 9.450 -5.693 1.00 15.00 C ATOM 181 CG1 VAL A 246 -9.846 9.940 -6.882 1.00 15.00 C ATOM 182 CG2 VAL A 246 -11.384 8.160 -6.039 1.00 15.00 C ATOM 0 H VAL A 246 -8.931 7.652 -5.547 1.00 15.00 H new ATOM 0 HA VAL A 246 -9.114 10.136 -4.354 1.00 15.00 H new ATOM 0 HB VAL A 246 -11.405 10.204 -5.447 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -10.503 10.071 -7.742 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -9.378 10.893 -6.635 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -9.075 9.208 -7.123 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -12.019 8.323 -6.910 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -10.656 7.380 -6.262 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -11.999 7.851 -5.194 1.00 15.00 H new ATOM 192 N GLN A 247 -10.718 7.862 -2.778 1.00 15.00 N ATOM 193 CA GLN A 247 -11.324 7.499 -1.504 1.00 15.00 C ATOM 194 C GLN A 247 -10.761 8.342 -0.345 1.00 15.00 C ATOM 195 O GLN A 247 -11.398 8.493 0.698 1.00 15.00 O ATOM 196 CB GLN A 247 -11.036 6.019 -1.257 1.00 15.00 C ATOM 197 CG GLN A 247 -11.569 5.471 0.044 1.00 15.00 C ATOM 198 CD GLN A 247 -13.069 5.248 0.013 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.851 6.138 0.349 1.00 15.00 O ATOM 200 NE2 GLN A 247 -13.475 4.058 -0.381 1.00 15.00 N ATOM 0 H GLN A 247 -10.371 7.059 -3.302 1.00 15.00 H new ATOM 0 HA GLN A 247 -12.396 7.689 -1.548 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -11.460 5.441 -2.078 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -9.957 5.866 -1.283 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -11.070 4.528 0.268 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -11.325 6.161 0.852 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -12.792 3.350 -0.651 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -14.472 3.845 -0.416 1.00 15.00 H new ATOM 209 N GLY A 248 -9.548 8.855 -0.528 1.00 15.00 N ATOM 210 CA GLY A 248 -8.927 9.690 0.481 1.00 15.00 C ATOM 211 C GLY A 248 -7.914 8.930 1.307 1.00 15.00 C ATOM 212 O GLY A 248 -7.253 9.496 2.179 1.00 15.00 O ATOM 0 H GLY A 248 -8.982 8.705 -1.363 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -8.438 10.537 -0.001 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.696 10.097 1.137 1.00 15.00 H new ATOM 216 N GLN A 249 -7.775 7.645 1.020 1.00 15.00 N ATOM 217 CA GLN A 249 -6.916 6.778 1.810 1.00 15.00 C ATOM 218 C GLN A 249 -5.700 6.349 0.996 1.00 15.00 C ATOM 219 O GLN A 249 -5.813 6.028 -0.189 1.00 15.00 O ATOM 220 CB GLN A 249 -7.688 5.536 2.260 1.00 15.00 C ATOM 221 CG GLN A 249 -9.173 5.768 2.456 1.00 15.00 C ATOM 222 CD GLN A 249 -9.888 4.573 3.056 1.00 15.00 C ATOM 223 OE1 GLN A 249 -10.015 4.459 4.276 1.00 15.00 O ATOM 224 NE2 GLN A 249 -10.356 3.669 2.202 1.00 15.00 N ATOM 0 H GLN A 249 -8.247 7.179 0.245 1.00 15.00 H new ATOM 0 HA GLN A 249 -6.583 7.334 2.686 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -7.549 4.747 1.521 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -7.261 5.175 3.196 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -9.317 6.633 3.104 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -9.627 6.010 1.495 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -10.229 3.802 1.199 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -10.842 2.842 2.550 1.00 15.00 H new ATOM 233 N VAL A 250 -4.544 6.341 1.636 1.00 15.00 N ATOM 234 CA VAL A 250 -3.335 5.833 1.010 1.00 15.00 C ATOM 235 C VAL A 250 -3.158 4.359 1.359 1.00 15.00 C ATOM 236 O VAL A 250 -3.379 3.961 2.502 1.00 15.00 O ATOM 237 CB VAL A 250 -2.081 6.628 1.452 1.00 15.00 C ATOM 238 CG1 VAL A 250 -2.161 8.065 0.967 1.00 15.00 C ATOM 239 CG2 VAL A 250 -1.913 6.596 2.964 1.00 15.00 C ATOM 0 H VAL A 250 -4.416 6.681 2.589 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.442 5.951 -0.068 1.00 15.00 H new ATOM 0 HB VAL A 250 -1.211 6.151 1.002 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -1.271 8.607 1.287 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -2.222 8.079 -0.121 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -3.047 8.542 1.386 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -1.025 7.162 3.243 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.789 7.039 3.437 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.804 5.564 3.296 1.00 15.00 H new ATOM 249 N TYR A 251 -2.797 3.544 0.380 1.00 15.00 N ATOM 250 CA TYR A 251 -2.517 2.146 0.647 1.00 15.00 C ATOM 251 C TYR A 251 -1.197 1.721 0.006 1.00 15.00 C ATOM 252 O TYR A 251 -0.976 1.918 -1.191 1.00 15.00 O ATOM 253 CB TYR A 251 -3.705 1.229 0.262 1.00 15.00 C ATOM 254 CG TYR A 251 -4.272 1.309 -1.156 1.00 15.00 C ATOM 255 CD1 TYR A 251 -5.372 2.114 -1.458 1.00 15.00 C ATOM 256 CD2 TYR A 251 -3.777 0.498 -2.177 1.00 15.00 C ATOM 257 CE1 TYR A 251 -5.940 2.093 -2.718 1.00 15.00 C ATOM 258 CE2 TYR A 251 -4.324 0.487 -3.421 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.412 1.278 -3.694 1.00 15.00 C ATOM 260 OH TYR A 251 -5.978 1.256 -4.942 1.00 15.00 O ATOM 0 H TYR A 251 -2.692 3.824 -0.595 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.396 2.028 1.724 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.395 0.198 0.435 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.520 1.438 0.955 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -5.784 2.761 -0.698 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -2.932 -0.142 -1.972 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -6.796 2.714 -2.936 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -3.904 -0.142 -4.192 1.00 15.00 H new ATOM 0 HH TYR A 251 -6.014 0.333 -5.269 1.00 15.00 H new ATOM 270 N PHE A 252 -0.321 1.144 0.829 1.00 15.00 N ATOM 271 CA PHE A 252 1.036 0.795 0.410 1.00 15.00 C ATOM 272 C PHE A 252 1.093 -0.596 -0.158 1.00 15.00 C ATOM 273 O PHE A 252 0.890 -1.582 0.558 1.00 15.00 O ATOM 274 CB PHE A 252 2.017 0.886 1.577 1.00 15.00 C ATOM 275 CG PHE A 252 2.445 2.296 1.861 1.00 15.00 C ATOM 276 CD1 PHE A 252 3.075 3.046 0.881 1.00 15.00 C ATOM 277 CD2 PHE A 252 2.196 2.886 3.093 1.00 15.00 C ATOM 278 CE1 PHE A 252 3.446 4.353 1.123 1.00 15.00 C ATOM 279 CE2 PHE A 252 2.570 4.190 3.339 1.00 15.00 C ATOM 280 CZ PHE A 252 3.191 4.925 2.351 1.00 15.00 C ATOM 0 H PHE A 252 -0.530 0.907 1.799 1.00 15.00 H new ATOM 0 HA PHE A 252 1.319 1.512 -0.360 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.555 0.464 2.469 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.896 0.281 1.356 1.00 15.00 H new ATOM 0 HD1 PHE A 252 3.278 2.603 -0.083 1.00 15.00 H new ATOM 0 HD2 PHE A 252 1.704 2.317 3.868 1.00 15.00 H new ATOM 0 HE1 PHE A 252 3.936 4.927 0.351 1.00 15.00 H new ATOM 0 HE2 PHE A 252 2.377 4.635 4.304 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.478 5.949 2.539 1.00 15.00 H new ATOM 290 N LEU A 253 1.376 -0.673 -1.447 1.00 15.00 N ATOM 291 CA LEU A 253 1.385 -1.942 -2.140 1.00 15.00 C ATOM 292 C LEU A 253 2.756 -2.389 -2.590 1.00 15.00 C ATOM 293 O LEU A 253 3.553 -1.637 -3.145 1.00 15.00 O ATOM 294 CB LEU A 253 0.371 -1.964 -3.290 1.00 15.00 C ATOM 295 CG LEU A 253 -1.012 -2.475 -2.889 1.00 15.00 C ATOM 296 CD1 LEU A 253 -1.066 -3.967 -3.128 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.296 -2.155 -1.434 1.00 15.00 C ATOM 0 H LEU A 253 1.602 0.131 -2.032 1.00 15.00 H new ATOM 0 HA LEU A 253 1.073 -2.680 -1.401 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.272 -0.956 -3.693 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.760 -2.591 -4.092 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.775 -1.982 -3.491 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -2.048 -4.345 -2.846 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -0.887 -4.173 -4.183 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.301 -4.460 -2.527 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.285 -2.526 -1.166 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.546 -2.633 -0.803 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.261 -1.076 -1.285 1.00 15.00 H new ATOM 309 N HIS A 254 2.986 -3.655 -2.325 1.00 15.00 N ATOM 310 CA HIS A 254 4.208 -4.352 -2.679 1.00 15.00 C ATOM 311 C HIS A 254 3.831 -5.742 -3.106 1.00 15.00 C ATOM 312 O HIS A 254 3.495 -6.571 -2.258 1.00 15.00 O ATOM 313 CB HIS A 254 5.162 -4.437 -1.472 1.00 15.00 C ATOM 314 CG HIS A 254 6.229 -5.503 -1.571 1.00 15.00 C ATOM 315 ND1 HIS A 254 6.142 -6.717 -0.914 1.00 15.00 N ATOM 316 CD2 HIS A 254 7.388 -5.546 -2.269 1.00 15.00 C ATOM 317 CE1 HIS A 254 7.193 -7.458 -1.213 1.00 15.00 C ATOM 318 NE2 HIS A 254 7.968 -6.770 -2.033 1.00 15.00 N ATOM 0 H HIS A 254 2.310 -4.248 -1.843 1.00 15.00 H new ATOM 0 HA HIS A 254 4.718 -3.814 -3.478 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.648 -3.470 -1.344 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.571 -4.618 -0.574 1.00 15.00 H new ATOM 0 HD2 HIS A 254 7.785 -4.762 -2.897 1.00 15.00 H new ATOM 0 HE1 HIS A 254 7.386 -8.456 -0.849 1.00 15.00 H new ATOM 0 HE2 HIS A 254 8.852 -7.094 -2.426 1.00 15.00 H new ATOM 327 N THR A 255 3.830 -6.034 -4.385 1.00 15.00 N ATOM 328 CA THR A 255 3.468 -7.377 -4.729 1.00 15.00 C ATOM 329 C THR A 255 4.703 -8.220 -5.016 1.00 15.00 C ATOM 330 O THR A 255 5.222 -8.292 -6.132 1.00 15.00 O ATOM 331 CB THR A 255 2.484 -7.403 -5.925 1.00 15.00 C ATOM 332 OG1 THR A 255 2.246 -8.749 -6.347 1.00 15.00 O ATOM 333 CG2 THR A 255 2.997 -6.576 -7.097 1.00 15.00 C ATOM 0 H THR A 255 4.060 -5.405 -5.155 1.00 15.00 H new ATOM 0 HA THR A 255 2.958 -7.814 -3.871 1.00 15.00 H new ATOM 0 HB THR A 255 1.548 -6.960 -5.585 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.621 -8.749 -7.102 1.00 15.00 H new ATOM 0 HG21 THR A 255 2.278 -6.620 -7.915 1.00 15.00 H new ATOM 0 HG22 THR A 255 3.126 -5.540 -6.783 1.00 15.00 H new ATOM 0 HG23 THR A 255 3.954 -6.975 -7.433 1.00 15.00 H new ATOM 341 N GLN A 256 5.209 -8.789 -3.938 1.00 15.00 N ATOM 342 CA GLN A 256 5.872 -10.069 -3.929 1.00 15.00 C ATOM 343 C GLN A 256 4.873 -11.073 -3.394 1.00 15.00 C ATOM 344 O GLN A 256 4.555 -12.088 -4.007 1.00 15.00 O ATOM 345 CB GLN A 256 7.117 -10.031 -3.049 1.00 15.00 C ATOM 346 CG GLN A 256 7.776 -11.383 -2.856 1.00 15.00 C ATOM 347 CD GLN A 256 8.941 -11.323 -1.897 1.00 15.00 C ATOM 348 OE1 GLN A 256 8.776 -11.470 -0.686 1.00 15.00 O ATOM 349 NE2 GLN A 256 10.129 -11.120 -2.435 1.00 15.00 N ATOM 0 H GLN A 256 5.166 -8.354 -3.016 1.00 15.00 H new ATOM 0 HA GLN A 256 6.201 -10.340 -4.932 1.00 15.00 H new ATOM 0 HB2 GLN A 256 7.840 -9.345 -3.490 1.00 15.00 H new ATOM 0 HB3 GLN A 256 6.848 -9.627 -2.073 1.00 15.00 H new ATOM 0 HG2 GLN A 256 7.038 -12.094 -2.484 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.121 -11.757 -3.820 1.00 15.00 H new ATOM 0 HE21 GLN A 256 10.219 -11.003 -3.444 1.00 15.00 H new ATOM 0 HE22 GLN A 256 10.958 -11.080 -1.841 1.00 15.00 H new ATOM 358 N THR A 257 4.375 -10.713 -2.209 1.00 15.00 N ATOM 359 CA THR A 257 3.478 -11.536 -1.430 1.00 15.00 C ATOM 360 C THR A 257 2.165 -10.844 -1.197 1.00 15.00 C ATOM 361 O THR A 257 1.430 -11.101 -0.241 1.00 15.00 O ATOM 362 CB THR A 257 4.086 -11.827 -0.083 1.00 15.00 C ATOM 363 OG1 THR A 257 4.469 -10.594 0.547 1.00 15.00 O ATOM 364 CG2 THR A 257 5.300 -12.729 -0.194 1.00 15.00 C ATOM 0 H THR A 257 4.595 -9.822 -1.765 1.00 15.00 H new ATOM 0 HA THR A 257 3.313 -12.456 -1.991 1.00 15.00 H new ATOM 0 HB THR A 257 3.335 -12.344 0.515 1.00 15.00 H new ATOM 0 HG1 THR A 257 4.863 -10.783 1.424 1.00 15.00 H new ATOM 0 HG21 THR A 257 5.708 -12.914 0.800 1.00 15.00 H new ATOM 0 HG22 THR A 257 5.009 -13.676 -0.649 1.00 15.00 H new ATOM 0 HG23 THR A 257 6.057 -12.246 -0.813 1.00 15.00 H new ATOM 372 N GLY A 258 1.907 -10.014 -2.129 1.00 15.00 N ATOM 373 CA GLY A 258 0.742 -9.148 -2.125 1.00 15.00 C ATOM 374 C GLY A 258 0.583 -8.342 -0.843 1.00 15.00 C ATOM 375 O GLY A 258 -0.272 -8.658 -0.016 1.00 15.00 O ATOM 0 H GLY A 258 2.501 -9.896 -2.950 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.807 -8.462 -2.969 1.00 15.00 H new ATOM 0 HA3 GLY A 258 -0.151 -9.754 -2.276 1.00 15.00 H new ATOM 379 N VAL A 259 1.390 -7.294 -0.673 1.00 15.00 N ATOM 380 CA VAL A 259 1.208 -6.395 0.468 1.00 15.00 C ATOM 381 C VAL A 259 0.267 -5.280 0.129 1.00 15.00 C ATOM 382 O VAL A 259 0.553 -4.446 -0.720 1.00 15.00 O ATOM 383 CB VAL A 259 2.514 -5.761 1.019 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.196 -4.670 2.037 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.334 -6.834 1.679 1.00 15.00 C ATOM 0 H VAL A 259 2.160 -7.049 -1.296 1.00 15.00 H new ATOM 0 HA VAL A 259 0.804 -7.040 1.248 1.00 15.00 H new ATOM 0 HB VAL A 259 3.068 -5.314 0.193 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.125 -4.239 2.411 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.600 -3.891 1.561 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.636 -5.099 2.867 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.254 -6.400 2.070 1.00 15.00 H new ATOM 0 HG22 VAL A 259 2.765 -7.275 2.497 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.578 -7.606 0.949 1.00 15.00 H new ATOM 395 N SER A 260 -0.849 -5.299 0.814 1.00 15.00 N ATOM 396 CA SER A 260 -1.817 -4.221 0.763 1.00 15.00 C ATOM 397 C SER A 260 -2.107 -3.761 2.171 1.00 15.00 C ATOM 398 O SER A 260 -2.743 -4.474 2.949 1.00 15.00 O ATOM 399 CB SER A 260 -3.103 -4.637 0.042 1.00 15.00 C ATOM 400 OG SER A 260 -3.550 -5.909 0.483 1.00 15.00 O ATOM 0 H SER A 260 -1.118 -6.067 1.429 1.00 15.00 H new ATOM 0 HA SER A 260 -1.395 -3.398 0.187 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.880 -3.894 0.221 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.928 -4.663 -1.034 1.00 15.00 H new ATOM 0 HG SER A 260 -3.485 -5.958 1.460 1.00 15.00 H new ATOM 406 N THR A 261 -1.608 -2.590 2.512 1.00 15.00 N ATOM 407 CA THR A 261 -1.618 -2.167 3.903 1.00 15.00 C ATOM 408 C THR A 261 -1.949 -0.694 4.080 1.00 15.00 C ATOM 409 O THR A 261 -1.664 0.135 3.210 1.00 15.00 O ATOM 410 CB THR A 261 -0.258 -2.455 4.573 1.00 15.00 C ATOM 411 OG1 THR A 261 0.815 -2.020 3.725 1.00 15.00 O ATOM 412 CG2 THR A 261 -0.099 -3.939 4.880 1.00 15.00 C ATOM 0 H THR A 261 -1.196 -1.922 1.860 1.00 15.00 H new ATOM 0 HA THR A 261 -2.408 -2.746 4.381 1.00 15.00 H new ATOM 0 HB THR A 261 -0.225 -1.903 5.512 1.00 15.00 H new ATOM 0 HG1 THR A 261 1.673 -2.206 4.161 1.00 15.00 H new ATOM 0 HG21 THR A 261 0.869 -4.111 5.351 1.00 15.00 H new ATOM 0 HG22 THR A 261 -0.893 -4.258 5.555 1.00 15.00 H new ATOM 0 HG23 THR A 261 -0.158 -4.511 3.954 1.00 15.00 H new ATOM 420 N TRP A 262 -2.577 -0.391 5.210 1.00 15.00 N ATOM 421 CA TRP A 262 -2.808 0.981 5.623 1.00 15.00 C ATOM 422 C TRP A 262 -1.520 1.605 6.139 1.00 15.00 C ATOM 423 O TRP A 262 -1.255 2.790 5.930 1.00 15.00 O ATOM 424 CB TRP A 262 -3.845 1.050 6.746 1.00 15.00 C ATOM 425 CG TRP A 262 -5.260 0.781 6.332 1.00 15.00 C ATOM 426 CD1 TRP A 262 -6.123 -0.128 6.885 1.00 15.00 C ATOM 427 CD2 TRP A 262 -5.984 1.423 5.282 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.336 -0.059 6.274 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.275 0.871 5.284 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.678 2.414 4.340 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -8.248 1.272 4.400 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -6.664 2.800 3.452 1.00 15.00 C ATOM 433 CH2 TRP A 262 -7.932 2.222 3.500 1.00 15.00 C ATOM 0 H TRP A 262 -2.938 -1.089 5.861 1.00 15.00 H new ATOM 0 HA TRP A 262 -3.171 1.524 4.750 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.568 0.332 7.518 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.799 2.040 7.200 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -5.875 -0.803 7.691 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -8.156 -0.614 6.518 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.697 2.865 4.309 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -9.237 0.838 4.427 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -6.450 3.558 2.713 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -8.683 2.546 2.794 1.00 15.00 H new ATOM 444 N HIS A 263 -0.744 0.801 6.856 1.00 15.00 N ATOM 445 CA HIS A 263 0.455 1.291 7.519 1.00 15.00 C ATOM 446 C HIS A 263 1.606 1.428 6.531 1.00 15.00 C ATOM 447 O HIS A 263 1.765 0.607 5.626 1.00 15.00 O ATOM 448 CB HIS A 263 0.859 0.354 8.676 1.00 15.00 C ATOM 449 CG HIS A 263 1.738 -0.804 8.280 1.00 15.00 C ATOM 450 ND1 HIS A 263 3.108 -0.795 8.459 1.00 15.00 N ATOM 451 CD2 HIS A 263 1.447 -1.999 7.707 1.00 15.00 C ATOM 452 CE1 HIS A 263 3.615 -1.934 8.015 1.00 15.00 C ATOM 453 NE2 HIS A 263 2.632 -2.675 7.556 1.00 15.00 N ATOM 0 H HIS A 263 -0.925 -0.194 6.992 1.00 15.00 H new ATOM 0 HA HIS A 263 0.232 2.276 7.928 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.377 0.941 9.435 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -0.046 -0.038 9.139 1.00 15.00 H new ATOM 0 HD2 HIS A 263 0.467 -2.352 7.423 1.00 15.00 H new ATOM 0 HE1 HIS A 263 4.660 -2.208 8.028 1.00 15.00 H new ATOM 0 HE2 HIS A 263 2.733 -3.606 7.151 1.00 15.00 H new ATOM 462 N ASP A 264 2.412 2.451 6.733 1.00 15.00 N ATOM 463 CA ASP A 264 3.645 2.618 5.981 1.00 15.00 C ATOM 464 C ASP A 264 4.571 1.439 6.280 1.00 15.00 C ATOM 465 O ASP A 264 4.783 1.091 7.435 1.00 15.00 O ATOM 466 CB ASP A 264 4.295 3.950 6.368 1.00 15.00 C ATOM 467 CG ASP A 264 5.562 4.243 5.599 1.00 15.00 C ATOM 468 OD1 ASP A 264 6.586 3.590 5.869 1.00 15.00 O ATOM 469 OD2 ASP A 264 5.549 5.148 4.740 1.00 15.00 O1- ATOM 0 H ASP A 264 2.235 3.186 7.417 1.00 15.00 H new ATOM 0 HA ASP A 264 3.443 2.636 4.910 1.00 15.00 H new ATOM 0 HB2 ASP A 264 3.582 4.757 6.200 1.00 15.00 H new ATOM 0 HB3 ASP A 264 4.520 3.940 7.435 1.00 15.00 H new ATOM 474 N PRO A 265 5.123 0.783 5.258 1.00 15.00 N ATOM 475 CA PRO A 265 5.904 -0.439 5.451 1.00 15.00 C ATOM 476 C PRO A 265 7.277 -0.199 6.046 1.00 15.00 C ATOM 477 O PRO A 265 7.949 -1.132 6.491 1.00 15.00 O ATOM 478 CB PRO A 265 6.018 -1.012 4.047 1.00 15.00 C ATOM 479 CG PRO A 265 5.934 0.178 3.151 1.00 15.00 C ATOM 480 CD PRO A 265 5.022 1.157 3.836 1.00 15.00 C ATOM 0 HA PRO A 265 5.421 -1.105 6.166 1.00 15.00 H new ATOM 0 HB2 PRO A 265 6.959 -1.546 3.911 1.00 15.00 H new ATOM 0 HB3 PRO A 265 5.216 -1.721 3.841 1.00 15.00 H new ATOM 0 HG2 PRO A 265 6.920 0.613 2.989 1.00 15.00 H new ATOM 0 HG3 PRO A 265 5.543 -0.099 2.172 1.00 15.00 H new ATOM 0 HD2 PRO A 265 5.339 2.186 3.668 1.00 15.00 H new ATOM 0 HD3 PRO A 265 3.998 1.075 3.471 1.00 15.00 H new ATOM 488 N ARG A 266 7.701 1.040 6.028 1.00 15.00 N ATOM 489 CA ARG A 266 8.961 1.419 6.625 1.00 15.00 C ATOM 490 C ARG A 266 8.767 1.570 8.119 1.00 15.00 C ATOM 491 O ARG A 266 9.708 1.792 8.884 1.00 15.00 O ATOM 492 CB ARG A 266 9.407 2.722 6.012 1.00 15.00 C ATOM 493 CG ARG A 266 10.867 3.041 6.240 1.00 15.00 C ATOM 494 CD ARG A 266 11.772 2.081 5.498 1.00 15.00 C ATOM 495 NE ARG A 266 13.123 2.607 5.337 1.00 15.00 N ATOM 496 CZ ARG A 266 14.161 1.877 4.942 1.00 15.00 C ATOM 497 NH1 ARG A 266 14.041 0.562 4.802 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 15.326 2.464 4.718 1.00 15.00 N ATOM 0 H ARG A 266 7.187 1.812 5.602 1.00 15.00 H new ATOM 0 HA ARG A 266 9.722 0.660 6.445 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.216 2.691 4.939 1.00 15.00 H new ATOM 0 HB3 ARG A 266 8.801 3.530 6.421 1.00 15.00 H new ATOM 0 HG2 ARG A 266 11.072 4.061 5.914 1.00 15.00 H new ATOM 0 HG3 ARG A 266 11.087 2.998 7.307 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.815 1.135 6.037 1.00 15.00 H new ATOM 0 HD3 ARG A 266 11.347 1.870 4.517 1.00 15.00 H new ATOM 0 HE ARG A 266 13.280 3.594 5.540 1.00 15.00 H new ATOM 0 HH11 ARG A 266 13.149 0.108 4.998 1.00 15.00 H new ATOM 0 HH12 ARG A 266 14.841 0.006 4.499 1.00 15.00 H new ATOM 0 HH21 ARG A 266 15.423 3.471 4.849 1.00 15.00 H new ATOM 0 HH22 ARG A 266 16.127 1.909 4.415 1.00 15.00 H new ATOM 512 N ILE A 267 7.516 1.443 8.500 1.00 15.00 N ATOM 513 CA ILE A 267 7.119 1.513 9.903 1.00 15.00 C ATOM 514 C ILE A 267 7.403 0.178 10.586 1.00 15.00 C ATOM 515 O ILE A 267 8.349 0.105 11.400 1.00 15.00 O ATOM 516 CB ILE A 267 5.618 1.849 10.082 1.00 15.00 C ATOM 517 CG1 ILE A 267 5.249 3.156 9.370 1.00 15.00 C ATOM 518 CG2 ILE A 267 5.264 1.933 11.561 1.00 15.00 C ATOM 519 CD1 ILE A 267 6.028 4.366 9.849 1.00 15.00 C ATOM 520 OXT ILE A 267 6.686 -0.800 10.290 1.00 15.00 O ATOM 0 H ILE A 267 6.741 1.289 7.855 1.00 15.00 H new ATOM 0 HA ILE A 267 7.701 2.316 10.356 1.00 15.00 H new ATOM 0 HB ILE A 267 5.040 1.045 9.627 1.00 15.00 H new ATOM 0 HG12 ILE A 267 5.413 3.032 8.300 1.00 15.00 H new ATOM 0 HG13 ILE A 267 4.185 3.345 9.509 1.00 15.00 H new ATOM 0 HG21 ILE A 267 4.206 2.170 11.669 1.00 15.00 H new ATOM 0 HG22 ILE A 267 5.472 0.976 12.040 1.00 15.00 H new ATOM 0 HG23 ILE A 267 5.860 2.713 12.034 1.00 15.00 H new ATOM 0 HD11 ILE A 267 5.707 5.248 9.295 1.00 15.00 H new ATOM 0 HD12 ILE A 267 5.845 4.519 10.913 1.00 15.00 H new ATOM 0 HD13 ILE A 267 7.093 4.202 9.684 1.00 15.00 H new TER 532 ILE A 267 ATOM 533 N THR B 208 3.331 1.121 -10.474 1.00 15.00 N ATOM 534 CA THR B 208 1.953 1.522 -10.138 1.00 15.00 C ATOM 535 C THR B 208 0.957 0.531 -10.737 1.00 15.00 C ATOM 536 O THR B 208 0.460 0.717 -11.851 1.00 15.00 O ATOM 537 CB THR B 208 1.646 2.944 -10.645 1.00 15.00 C ATOM 538 OG1 THR B 208 2.691 3.843 -10.241 1.00 15.00 O ATOM 539 CG2 THR B 208 0.316 3.439 -10.095 1.00 15.00 C ATOM 0 HA THR B 208 1.857 1.520 -9.052 1.00 15.00 H new ATOM 0 HB THR B 208 1.587 2.913 -11.733 1.00 15.00 H new ATOM 0 HG1 THR B 208 3.501 3.332 -10.036 1.00 15.00 H new ATOM 0 HG21 THR B 208 0.120 4.445 -10.466 1.00 15.00 H new ATOM 0 HG22 THR B 208 -0.483 2.771 -10.418 1.00 15.00 H new ATOM 0 HG23 THR B 208 0.356 3.456 -9.006 1.00 15.00 H new ATOM 549 N SER B 209 0.714 -0.551 -10.017 1.00 15.00 N ATOM 550 CA SER B 209 -0.226 -1.569 -10.444 1.00 15.00 C ATOM 551 C SER B 209 -0.847 -2.237 -9.224 1.00 15.00 C ATOM 552 O SER B 209 -0.220 -3.080 -8.578 1.00 15.00 O ATOM 553 CB SER B 209 0.466 -2.614 -11.325 1.00 15.00 C ATOM 554 OG SER B 209 1.125 -1.998 -12.420 1.00 15.00 O ATOM 0 H SER B 209 1.163 -0.747 -9.122 1.00 15.00 H new ATOM 0 HA SER B 209 -1.011 -1.095 -11.034 1.00 15.00 H new ATOM 0 HB2 SER B 209 1.187 -3.176 -10.731 1.00 15.00 H new ATOM 0 HB3 SER B 209 -0.270 -3.329 -11.694 1.00 15.00 H new ATOM 0 HG SER B 209 1.561 -2.684 -12.968 1.00 15.00 H new HETATM 560 N SEP B 210 -2.060 -1.836 -8.889 1.00 15.00 N HETATM 561 CA SEP B 210 -2.714 -2.351 -7.705 1.00 15.00 C HETATM 562 CB SEP B 210 -3.445 -1.209 -6.974 1.00 15.00 C HETATM 563 OG SEP B 210 -4.229 -0.439 -7.886 1.00 15.00 O HETATM 564 C SEP B 210 -3.652 -3.509 -8.061 1.00 15.00 C HETATM 565 O SEP B 210 -4.656 -3.338 -8.743 1.00 15.00 O HETATM 566 P SEP B 210 -5.856 -0.435 -7.944 1.00 15.00 P HETATM 567 O1P SEP B 210 -6.314 0.951 -8.008 1.00 15.00 O HETATM 568 O2P SEP B 210 -6.281 -1.134 -9.160 1.00 15.00 O HETATM 569 O3P SEP B 210 -6.381 -1.087 -6.746 1.00 15.00 O HETATM 0 HB3 SEP B 210 -4.087 -1.622 -6.196 1.00 15.00 H new HETATM 0 HB2 SEP B 210 -2.718 -0.565 -6.479 1.00 15.00 H new HETATM 0 HA SEP B 210 -1.964 -2.754 -7.025 1.00 15.00 H new HETATM 0 H SEP B 210 -2.131 -0.845 -9.121 1.00 15.00 H new ATOM 574 N ASP B 211 -3.265 -4.708 -7.637 1.00 15.00 N ATOM 575 CA ASP B 211 -4.116 -5.892 -7.757 1.00 15.00 C ATOM 576 C ASP B 211 -5.191 -6.018 -6.646 1.00 15.00 C ATOM 577 O ASP B 211 -6.130 -6.797 -6.816 1.00 15.00 O ATOM 578 CB ASP B 211 -3.265 -7.168 -7.759 1.00 15.00 C ATOM 579 CG ASP B 211 -2.779 -7.557 -9.138 1.00 15.00 C ATOM 580 OD1 ASP B 211 -3.626 -7.843 -10.008 1.00 15.00 O ATOM 581 OD2 ASP B 211 -1.550 -7.624 -9.351 1.00 15.00 O1- ATOM 0 H ASP B 211 -2.360 -4.888 -7.203 1.00 15.00 H new ATOM 0 HA ASP B 211 -4.643 -5.769 -8.703 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -2.405 -7.025 -7.105 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -3.850 -7.988 -7.342 1.00 15.00 H new ATOM 586 N PRO B 212 -5.086 -5.319 -5.480 1.00 15.00 N ATOM 587 CA PRO B 212 -6.022 -5.473 -4.382 1.00 15.00 C ATOM 588 C PRO B 212 -7.093 -4.392 -4.363 1.00 15.00 C ATOM 589 O PRO B 212 -6.923 -3.316 -4.935 1.00 15.00 O ATOM 590 CB PRO B 212 -5.105 -5.307 -3.181 1.00 15.00 C ATOM 591 CG PRO B 212 -4.142 -4.303 -3.590 1.00 15.00 C ATOM 592 CD PRO B 212 -4.071 -4.324 -5.093 1.00 15.00 C ATOM 0 HA PRO B 212 -6.574 -6.412 -4.428 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -5.661 -4.987 -2.300 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -4.614 -6.246 -2.925 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.443 -3.317 -3.235 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.164 -4.513 -3.158 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.290 -3.344 -5.517 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.079 -4.609 -5.442 1.00 15.00 H new ATOM 600 N GLY B 213 -8.179 -4.674 -3.677 1.00 15.00 N ATOM 601 CA GLY B 213 -9.194 -3.672 -3.470 1.00 15.00 C ATOM 602 C GLY B 213 -8.897 -2.897 -2.209 1.00 15.00 C ATOM 603 O GLY B 213 -8.143 -3.371 -1.356 1.00 15.00 O ATOM 0 H GLY B 213 -8.379 -5.582 -3.257 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.230 -2.995 -4.324 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.174 -4.144 -3.396 1.00 15.00 H new HETATM 607 N SEP B 214 -9.468 -1.717 -2.074 1.00 15.00 N HETATM 608 CA SEP B 214 -9.147 -0.862 -0.951 1.00 15.00 C HETATM 609 CB SEP B 214 -9.250 0.610 -1.374 1.00 15.00 C HETATM 610 OG SEP B 214 -10.378 0.832 -2.196 1.00 15.00 O HETATM 611 C SEP B 214 -10.081 -1.167 0.220 1.00 15.00 C HETATM 612 O SEP B 214 -11.255 -1.494 0.032 1.00 15.00 O HETATM 613 P SEP B 214 -11.231 2.205 -2.139 1.00 15.00 P HETATM 614 O1P SEP B 214 -12.609 1.926 -2.550 1.00 15.00 O HETATM 615 O2P SEP B 214 -11.196 2.703 -0.764 1.00 15.00 O HETATM 616 O3P SEP B 214 -10.623 3.180 -3.056 1.00 15.00 O HETATM 0 HB3 SEP B 214 -9.314 1.241 -0.488 1.00 15.00 H new HETATM 0 HB2 SEP B 214 -8.346 0.901 -1.908 1.00 15.00 H new HETATM 0 HA SEP B 214 -8.124 -1.054 -0.627 1.00 15.00 H new HETATM 0 H SEP B 214 -9.714 -1.306 -2.974 1.00 15.00 H new ATOM 621 N PRO B 215 -9.548 -1.072 1.445 1.00 15.00 N ATOM 622 CA PRO B 215 -10.257 -1.433 2.676 1.00 15.00 C ATOM 623 C PRO B 215 -11.043 -0.257 3.256 1.00 15.00 C ATOM 624 O PRO B 215 -10.716 0.905 3.025 1.00 15.00 O ATOM 625 CB PRO B 215 -9.089 -1.819 3.629 1.00 15.00 C ATOM 626 CG PRO B 215 -7.846 -1.736 2.798 1.00 15.00 C ATOM 627 CD PRO B 215 -8.158 -0.736 1.731 1.00 15.00 C ATOM 0 HA PRO B 215 -10.995 -2.220 2.520 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -9.037 -1.140 4.480 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -9.226 -2.823 4.030 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -6.992 -1.420 3.397 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.593 -2.705 2.368 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.044 0.290 2.079 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.516 -0.849 0.857 1.00 15.00 H new ATOM 635 N PHE B 216 -12.098 -0.569 3.995 1.00 15.00 N ATOM 636 CA PHE B 216 -12.964 0.457 4.559 1.00 15.00 C ATOM 637 C PHE B 216 -12.909 0.424 6.081 1.00 15.00 C ATOM 638 O PHE B 216 -13.543 1.235 6.757 1.00 15.00 O ATOM 639 CB PHE B 216 -14.405 0.245 4.086 1.00 15.00 C ATOM 640 CG PHE B 216 -14.528 0.048 2.600 1.00 15.00 C ATOM 641 CD1 PHE B 216 -14.618 -1.229 2.064 1.00 15.00 C ATOM 642 CD2 PHE B 216 -14.545 1.133 1.741 1.00 15.00 C ATOM 643 CE1 PHE B 216 -14.726 -1.417 0.700 1.00 15.00 C ATOM 644 CE2 PHE B 216 -14.654 0.948 0.375 1.00 15.00 C ATOM 645 CZ PHE B 216 -14.743 -0.326 -0.144 1.00 15.00 C ATOM 0 H PHE B 216 -12.375 -1.525 4.218 1.00 15.00 H new ATOM 0 HA PHE B 216 -12.614 1.431 4.218 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -14.821 -0.624 4.595 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -15.006 1.105 4.381 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -14.603 -2.086 2.721 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -14.472 2.133 2.141 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -14.797 -2.416 0.295 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -14.669 1.802 -0.286 1.00 15.00 H new ATOM 0 HZ PHE B 216 -14.826 -0.470 -1.211 1.00 15.00 H new ATOM 655 N GLN B 217 -12.150 -0.523 6.610 1.00 15.00 N ATOM 656 CA GLN B 217 -12.007 -0.685 8.048 1.00 15.00 C ATOM 657 C GLN B 217 -10.549 -0.537 8.448 1.00 15.00 C ATOM 658 O GLN B 217 -10.277 -0.333 9.651 1.00 15.00 O ATOM 659 CB GLN B 217 -12.542 -2.046 8.501 1.00 15.00 C ATOM 660 CG GLN B 217 -11.940 -3.223 7.751 1.00 15.00 C ATOM 661 CD GLN B 217 -12.478 -4.559 8.226 1.00 15.00 C ATOM 662 OE1 GLN B 217 -13.609 -4.654 8.708 1.00 15.00 O ATOM 663 NE2 GLN B 217 -11.678 -5.604 8.080 1.00 15.00 N ATOM 664 OXT GLN B 217 -9.682 -0.601 7.552 1.00 15.00 O ATOM 0 H GLN B 217 -11.619 -1.197 6.059 1.00 15.00 H new ATOM 0 HA GLN B 217 -12.592 0.092 8.539 1.00 15.00 H new ATOM 0 HB2 GLN B 217 -12.345 -2.167 9.566 1.00 15.00 H new ATOM 0 HB3 GLN B 217 -13.624 -2.061 8.373 1.00 15.00 H new ATOM 0 HG2 GLN B 217 -12.144 -3.112 6.686 1.00 15.00 H new ATOM 0 HG3 GLN B 217 -10.857 -3.209 7.871 1.00 15.00 H new ATOM 0 HE21 GLN B 217 -10.749 -5.483 7.677 1.00 15.00 H new ATOM 0 HE22 GLN B 217 -11.991 -6.530 8.371 1.00 15.00 H new TER 673 GLN B 217