USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 307 hydrogens (4 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 214 SEP H2 : B 214 SEP N : B 213 GLY C :(H bumps) USER MOD Set 1.1: A 261 THR OG1 : rot 140:sc= -0.499 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -0.178 X(o=-0.68,f=-1.1!) USER MOD Set 2.1: A 247 GLN : amide:sc= -5.15! C(o=-5.2!,f=-11!) USER MOD Set 2.2: A 249 GLN :FLIP amide:sc= -0.0757 F(o=-11!,f=-5.2) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -0.418 K(o=-0.42,f=-1.8!) USER MOD Single : A 244 THR OG1 : rot 48:sc= 0.0394 USER MOD Single : A 245 THR OG1 : rot -154:sc= 1.29 USER MOD Single : A 251 TYR OH : rot 180:sc= -0.071 USER MOD Single : A 254 HIS :FLIP no HE2:sc= -0.544 F(o=-3.4!,f=-0.54) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 GLN :FLIP amide:sc= -0.0414 F(o=-1.1,f=-0.041) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : B 210 SER OG : rot 33:sc= 0.152 USER MOD Single : B 217 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -10.564 6.184 -5.139 1.00 15.00 N ATOM 2 CA GLU A 235 -10.734 6.344 -3.676 1.00 15.00 C ATOM 3 C GLU A 235 -10.721 4.985 -2.991 1.00 15.00 C ATOM 4 O GLU A 235 -11.469 4.085 -3.371 1.00 15.00 O ATOM 5 CB GLU A 235 -12.047 7.065 -3.366 1.00 15.00 C ATOM 6 CG GLU A 235 -12.143 8.443 -3.991 1.00 15.00 C ATOM 7 CD GLU A 235 -13.379 9.194 -3.553 1.00 15.00 C ATOM 8 OE1 GLU A 235 -14.454 8.972 -4.139 1.00 15.00 O ATOM 9 OE2 GLU A 235 -13.278 10.022 -2.619 1.00 15.00 O1- ATOM 0 HA GLU A 235 -9.904 6.942 -3.298 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -12.879 6.456 -3.719 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -12.156 7.157 -2.285 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -11.258 9.021 -3.725 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -12.147 8.346 -5.077 1.00 15.00 H new ATOM 18 N LEU A 236 -9.881 4.837 -1.978 1.00 15.00 N ATOM 19 CA LEU A 236 -9.808 3.588 -1.235 1.00 15.00 C ATOM 20 C LEU A 236 -10.682 3.704 0.004 1.00 15.00 C ATOM 21 O LEU A 236 -11.185 4.785 0.314 1.00 15.00 O ATOM 22 CB LEU A 236 -8.370 3.249 -0.776 1.00 15.00 C ATOM 23 CG LEU A 236 -7.222 3.559 -1.742 1.00 15.00 C ATOM 24 CD1 LEU A 236 -7.534 3.085 -3.148 1.00 15.00 C ATOM 25 CD2 LEU A 236 -6.902 5.039 -1.722 1.00 15.00 C ATOM 0 H LEU A 236 -9.243 5.563 -1.652 1.00 15.00 H new ATOM 0 HA LEU A 236 -10.146 2.794 -1.901 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.180 3.785 0.154 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.334 2.185 -0.543 1.00 15.00 H new ATOM 0 HG LEU A 236 -6.341 3.012 -1.406 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -6.698 3.322 -3.806 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -7.696 2.007 -3.141 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -8.433 3.585 -3.510 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -6.084 5.244 -2.413 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -7.783 5.606 -2.024 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -6.608 5.334 -0.715 1.00 15.00 H new ATOM 37 N PRO A 237 -10.877 2.600 0.725 1.00 15.00 N ATOM 38 CA PRO A 237 -11.446 2.642 2.068 1.00 15.00 C ATOM 39 C PRO A 237 -10.462 3.272 3.037 1.00 15.00 C ATOM 40 O PRO A 237 -9.260 3.347 2.770 1.00 15.00 O ATOM 41 CB PRO A 237 -11.690 1.164 2.416 1.00 15.00 C ATOM 42 CG PRO A 237 -11.565 0.420 1.124 1.00 15.00 C ATOM 43 CD PRO A 237 -10.635 1.227 0.265 1.00 15.00 C ATOM 0 HA PRO A 237 -12.357 3.237 2.126 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -10.962 0.808 3.145 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.677 1.023 2.856 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.171 -0.583 1.289 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.537 0.306 0.645 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.595 0.931 0.405 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -10.860 1.110 -0.795 1.00 15.00 H new ATOM 51 N GLU A 238 -10.979 3.723 4.154 1.00 15.00 N ATOM 52 CA GLU A 238 -10.184 4.460 5.127 1.00 15.00 C ATOM 53 C GLU A 238 -9.167 3.544 5.811 1.00 15.00 C ATOM 54 O GLU A 238 -9.461 2.389 6.124 1.00 15.00 O ATOM 55 CB GLU A 238 -11.119 5.104 6.160 1.00 15.00 C ATOM 56 CG GLU A 238 -10.420 6.034 7.138 1.00 15.00 C ATOM 57 CD GLU A 238 -9.623 7.115 6.437 1.00 15.00 C ATOM 58 OE1 GLU A 238 -10.222 8.125 6.006 1.00 15.00 O1- ATOM 59 OE2 GLU A 238 -8.392 6.955 6.313 1.00 15.00 O ATOM 0 H GLU A 238 -11.955 3.595 4.420 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.625 5.241 4.612 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -11.893 5.663 5.634 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -11.621 4.315 6.721 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -11.162 6.497 7.788 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -9.755 5.452 7.777 1.00 15.00 H new ATOM 66 N GLY A 239 -7.984 4.086 6.070 1.00 15.00 N ATOM 67 CA GLY A 239 -6.934 3.326 6.722 1.00 15.00 C ATOM 68 C GLY A 239 -5.880 2.788 5.765 1.00 15.00 C ATOM 69 O GLY A 239 -5.021 2.005 6.166 1.00 15.00 O ATOM 0 H GLY A 239 -7.731 5.047 5.838 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.448 3.959 7.465 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.383 2.491 7.260 1.00 15.00 H new ATOM 73 N TYR A 240 -5.925 3.206 4.509 1.00 15.00 N ATOM 74 CA TYR A 240 -4.898 2.808 3.549 1.00 15.00 C ATOM 75 C TYR A 240 -4.024 3.993 3.186 1.00 15.00 C ATOM 76 O TYR A 240 -4.478 4.927 2.522 1.00 15.00 O ATOM 77 CB TYR A 240 -5.509 2.225 2.265 1.00 15.00 C ATOM 78 CG TYR A 240 -6.253 0.930 2.474 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.569 -0.242 2.748 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.635 0.883 2.418 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.244 -1.428 2.963 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.318 -0.295 2.635 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.618 -1.448 2.910 1.00 15.00 C ATOM 84 OH TYR A 240 -8.293 -2.626 3.136 1.00 15.00 O ATOM 0 H TYR A 240 -6.651 3.814 4.130 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.297 2.035 4.028 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.190 2.958 1.833 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.714 2.062 1.538 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.490 -0.229 2.794 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.188 1.785 2.201 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.696 -2.335 3.172 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.397 -0.313 2.589 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.258 -2.469 3.063 1.00 15.00 H new ATOM 94 N GLU A 241 -2.780 3.963 3.628 1.00 15.00 N ATOM 95 CA GLU A 241 -1.823 4.975 3.238 1.00 15.00 C ATOM 96 C GLU A 241 -1.106 4.525 1.972 1.00 15.00 C ATOM 97 O GLU A 241 -0.419 3.504 1.946 1.00 15.00 O ATOM 98 CB GLU A 241 -0.830 5.283 4.377 1.00 15.00 C ATOM 99 CG GLU A 241 -0.214 4.054 5.031 1.00 15.00 C ATOM 100 CD GLU A 241 0.687 4.398 6.203 1.00 15.00 C ATOM 101 OE1 GLU A 241 0.162 4.729 7.285 1.00 15.00 O ATOM 102 OE2 GLU A 241 1.925 4.335 6.050 1.00 15.00 O1- ATOM 0 H GLU A 241 -2.412 3.249 4.256 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.353 5.905 3.031 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.029 5.909 3.984 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -1.344 5.866 5.141 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -1.010 3.393 5.373 1.00 15.00 H new ATOM 0 HG3 GLU A 241 0.361 3.502 4.287 1.00 15.00 H new ATOM 109 N GLN A 242 -1.310 5.277 0.907 1.00 15.00 N ATOM 110 CA GLN A 242 -0.703 4.971 -0.374 1.00 15.00 C ATOM 111 C GLN A 242 0.645 5.672 -0.458 1.00 15.00 C ATOM 112 O GLN A 242 0.716 6.900 -0.525 1.00 15.00 O ATOM 113 CB GLN A 242 -1.653 5.397 -1.507 1.00 15.00 C ATOM 114 CG GLN A 242 -1.065 5.324 -2.911 1.00 15.00 C ATOM 115 CD GLN A 242 -0.527 6.665 -3.379 1.00 15.00 C ATOM 116 OE1 GLN A 242 -1.032 7.718 -2.987 1.00 15.00 O ATOM 117 NE2 GLN A 242 0.497 6.641 -4.212 1.00 15.00 N ATOM 0 H GLN A 242 -1.897 6.111 0.905 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.533 3.899 -0.478 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.542 4.767 -1.470 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.979 6.420 -1.320 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.263 4.586 -2.929 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.831 4.979 -3.606 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.888 5.749 -4.514 1.00 15.00 H new ATOM 0 HE22 GLN A 242 0.897 7.515 -4.553 1.00 15.00 H new ATOM 126 N ARG A 243 1.715 4.890 -0.408 1.00 15.00 N ATOM 127 CA ARG A 243 3.047 5.456 -0.284 1.00 15.00 C ATOM 128 C ARG A 243 3.783 5.541 -1.593 1.00 15.00 C ATOM 129 O ARG A 243 3.613 4.721 -2.499 1.00 15.00 O ATOM 130 CB ARG A 243 3.885 4.687 0.726 1.00 15.00 C ATOM 131 CG ARG A 243 3.612 5.130 2.136 1.00 15.00 C ATOM 132 CD ARG A 243 4.447 4.360 3.133 1.00 15.00 C ATOM 133 NE ARG A 243 4.080 4.682 4.505 1.00 15.00 N ATOM 134 CZ ARG A 243 4.792 5.471 5.300 1.00 15.00 C ATOM 135 NH1 ARG A 243 5.947 5.977 4.885 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 4.352 5.733 6.521 1.00 15.00 N ATOM 0 H ARG A 243 1.686 3.871 -0.451 1.00 15.00 H new ATOM 0 HA ARG A 243 2.897 6.476 0.071 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.676 3.621 0.634 1.00 15.00 H new ATOM 0 HB3 ARG A 243 4.942 4.826 0.501 1.00 15.00 H new ATOM 0 HG2 ARG A 243 3.822 6.195 2.230 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.555 4.992 2.363 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.321 3.291 2.964 1.00 15.00 H new ATOM 0 HD3 ARG A 243 5.502 4.586 2.976 1.00 15.00 H new ATOM 0 HE ARG A 243 3.222 4.276 4.878 1.00 15.00 H new ATOM 0 HH11 ARG A 243 6.292 5.760 3.950 1.00 15.00 H new ATOM 0 HH12 ARG A 243 6.489 6.583 5.501 1.00 15.00 H new ATOM 0 HH21 ARG A 243 3.473 5.330 6.844 1.00 15.00 H new ATOM 0 HH22 ARG A 243 4.893 6.338 7.139 1.00 15.00 H new ATOM 150 N THR A 244 4.633 6.539 -1.636 1.00 15.00 N ATOM 151 CA THR A 244 5.472 6.819 -2.782 1.00 15.00 C ATOM 152 C THR A 244 6.939 6.641 -2.402 1.00 15.00 C ATOM 153 O THR A 244 7.515 7.465 -1.686 1.00 15.00 O ATOM 154 CB THR A 244 5.230 8.247 -3.301 1.00 15.00 C ATOM 155 OG1 THR A 244 5.083 9.144 -2.192 1.00 15.00 O ATOM 156 CG2 THR A 244 3.987 8.305 -4.177 1.00 15.00 C ATOM 0 H THR A 244 4.765 7.192 -0.863 1.00 15.00 H new ATOM 0 HA THR A 244 5.218 6.119 -3.578 1.00 15.00 H new ATOM 0 HB THR A 244 6.088 8.545 -3.904 1.00 15.00 H new ATOM 0 HG1 THR A 244 5.805 8.988 -1.547 1.00 15.00 H new ATOM 0 HG21 THR A 244 3.839 9.325 -4.531 1.00 15.00 H new ATOM 0 HG22 THR A 244 4.112 7.639 -5.031 1.00 15.00 H new ATOM 0 HG23 THR A 244 3.119 7.992 -3.597 1.00 15.00 H new ATOM 164 N THR A 245 7.528 5.551 -2.859 1.00 15.00 N ATOM 165 CA THR A 245 8.888 5.202 -2.483 1.00 15.00 C ATOM 166 C THR A 245 9.809 5.214 -3.700 1.00 15.00 C ATOM 167 O THR A 245 9.366 4.978 -4.830 1.00 15.00 O ATOM 168 CB THR A 245 8.937 3.828 -1.781 1.00 15.00 C ATOM 169 OG1 THR A 245 10.292 3.469 -1.467 1.00 15.00 O ATOM 170 CG2 THR A 245 8.301 2.764 -2.651 1.00 15.00 C ATOM 0 H THR A 245 7.084 4.888 -3.495 1.00 15.00 H new ATOM 0 HA THR A 245 9.240 5.955 -1.778 1.00 15.00 H new ATOM 0 HB THR A 245 8.373 3.900 -0.851 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.369 2.493 -1.420 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.345 1.802 -2.140 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.261 3.026 -2.844 1.00 15.00 H new ATOM 0 HG23 THR A 245 8.839 2.697 -3.596 1.00 15.00 H new ATOM 178 N VAL A 246 11.081 5.521 -3.454 1.00 15.00 N ATOM 179 CA VAL A 246 12.102 5.658 -4.496 1.00 15.00 C ATOM 180 C VAL A 246 12.142 4.490 -5.485 1.00 15.00 C ATOM 181 O VAL A 246 12.593 4.661 -6.618 1.00 15.00 O ATOM 182 CB VAL A 246 13.507 5.823 -3.883 1.00 15.00 C ATOM 183 CG1 VAL A 246 13.654 7.191 -3.238 1.00 15.00 C ATOM 184 CG2 VAL A 246 13.789 4.719 -2.873 1.00 15.00 C ATOM 0 H VAL A 246 11.439 5.684 -2.513 1.00 15.00 H new ATOM 0 HA VAL A 246 11.815 6.553 -5.048 1.00 15.00 H new ATOM 0 HB VAL A 246 14.239 5.744 -4.686 1.00 15.00 H new ATOM 0 HG11 VAL A 246 14.653 7.287 -2.812 1.00 15.00 H new ATOM 0 HG12 VAL A 246 13.505 7.966 -3.990 1.00 15.00 H new ATOM 0 HG13 VAL A 246 12.910 7.303 -2.449 1.00 15.00 H new ATOM 0 HG21 VAL A 246 14.786 4.856 -2.453 1.00 15.00 H new ATOM 0 HG22 VAL A 246 13.050 4.760 -2.073 1.00 15.00 H new ATOM 0 HG23 VAL A 246 13.734 3.750 -3.369 1.00 15.00 H new ATOM 194 N GLN A 247 11.688 3.309 -5.066 1.00 15.00 N ATOM 195 CA GLN A 247 11.652 2.146 -5.959 1.00 15.00 C ATOM 196 C GLN A 247 10.813 2.439 -7.211 1.00 15.00 C ATOM 197 O GLN A 247 10.959 1.772 -8.235 1.00 15.00 O ATOM 198 CB GLN A 247 11.116 0.898 -5.240 1.00 15.00 C ATOM 199 CG GLN A 247 9.667 1.005 -4.809 1.00 15.00 C ATOM 200 CD GLN A 247 9.003 -0.341 -4.565 1.00 15.00 C ATOM 201 OE1 GLN A 247 7.798 -0.478 -4.735 1.00 15.00 O ATOM 202 NE2 GLN A 247 9.767 -1.336 -4.164 1.00 15.00 N ATOM 0 H GLN A 247 11.342 3.131 -4.123 1.00 15.00 H new ATOM 0 HA GLN A 247 12.678 1.944 -6.267 1.00 15.00 H new ATOM 0 HB2 GLN A 247 11.225 0.037 -5.900 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.732 0.706 -4.361 1.00 15.00 H new ATOM 0 HG2 GLN A 247 9.611 1.599 -3.897 1.00 15.00 H new ATOM 0 HG3 GLN A 247 9.108 1.543 -5.574 1.00 15.00 H new ATOM 0 HE21 GLN A 247 10.768 -1.189 -4.032 1.00 15.00 H new ATOM 0 HE22 GLN A 247 9.358 -2.253 -3.986 1.00 15.00 H new ATOM 211 N GLY A 248 9.927 3.425 -7.115 1.00 15.00 N ATOM 212 CA GLY A 248 9.161 3.855 -8.271 1.00 15.00 C ATOM 213 C GLY A 248 7.813 3.171 -8.384 1.00 15.00 C ATOM 214 O GLY A 248 7.177 3.221 -9.435 1.00 15.00 O ATOM 0 H GLY A 248 9.725 3.935 -6.255 1.00 15.00 H new ATOM 0 HA2 GLY A 248 9.010 4.933 -8.218 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.738 3.658 -9.175 1.00 15.00 H new ATOM 218 N GLN A 249 7.369 2.541 -7.306 1.00 15.00 N ATOM 219 CA GLN A 249 6.101 1.827 -7.311 1.00 15.00 C ATOM 220 C GLN A 249 5.171 2.327 -6.211 1.00 15.00 C ATOM 221 O GLN A 249 5.619 2.722 -5.134 1.00 15.00 O ATOM 222 CB GLN A 249 6.326 0.326 -7.125 1.00 15.00 C ATOM 223 CG GLN A 249 6.772 -0.411 -8.384 1.00 15.00 C ATOM 224 CD GLN A 249 8.264 -0.330 -8.662 1.00 15.00 C ATOM 225 OE1 GLN A 249 9.088 -0.399 -7.624 1.00 15.00 O flip ATOM 226 NE2 GLN A 249 8.679 -0.264 -9.820 1.00 15.00 N flip ATOM 0 H GLN A 249 7.868 2.510 -6.417 1.00 15.00 H new ATOM 0 HA GLN A 249 5.634 2.013 -8.278 1.00 15.00 H new ATOM 0 HB2 GLN A 249 7.076 0.178 -6.348 1.00 15.00 H new ATOM 0 HB3 GLN A 249 5.401 -0.125 -6.765 1.00 15.00 H new ATOM 0 HG2 GLN A 249 6.487 -1.460 -8.297 1.00 15.00 H new ATOM 0 HG3 GLN A 249 6.233 -0.004 -9.239 1.00 15.00 H new ATOM 0 HE21 GLN A 249 8.019 -0.212 -10.596 1.00 15.00 H new ATOM 0 HE22 GLN A 249 9.682 -0.261 -10.003 1.00 15.00 H new ATOM 235 N VAL A 250 3.873 2.292 -6.492 1.00 15.00 N ATOM 236 CA VAL A 250 2.856 2.599 -5.494 1.00 15.00 C ATOM 237 C VAL A 250 2.446 1.323 -4.760 1.00 15.00 C ATOM 238 O VAL A 250 2.249 0.283 -5.380 1.00 15.00 O ATOM 239 CB VAL A 250 1.602 3.250 -6.121 1.00 15.00 C ATOM 240 CG1 VAL A 250 1.929 4.614 -6.701 1.00 15.00 C ATOM 241 CG2 VAL A 250 0.993 2.357 -7.193 1.00 15.00 C ATOM 0 H VAL A 250 3.499 2.052 -7.410 1.00 15.00 H new ATOM 0 HA VAL A 250 3.293 3.313 -4.796 1.00 15.00 H new ATOM 0 HB VAL A 250 0.869 3.378 -5.325 1.00 15.00 H new ATOM 0 HG11 VAL A 250 1.029 5.050 -7.136 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.302 5.265 -5.911 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.690 4.508 -7.474 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.113 2.843 -7.615 1.00 15.00 H new ATOM 0 HG22 VAL A 250 1.725 2.184 -7.982 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.704 1.403 -6.751 1.00 15.00 H new ATOM 251 N TYR A 251 2.330 1.398 -3.446 1.00 15.00 N ATOM 252 CA TYR A 251 2.007 0.221 -2.655 1.00 15.00 C ATOM 253 C TYR A 251 1.066 0.610 -1.521 1.00 15.00 C ATOM 254 O TYR A 251 1.258 1.638 -0.862 1.00 15.00 O ATOM 255 CB TYR A 251 3.320 -0.426 -2.173 1.00 15.00 C ATOM 256 CG TYR A 251 4.082 0.326 -1.099 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.754 0.205 0.247 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.165 1.122 -1.438 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.481 0.866 1.219 1.00 15.00 C ATOM 260 CE2 TYR A 251 5.900 1.777 -0.474 1.00 15.00 C ATOM 261 CZ TYR A 251 5.556 1.647 0.853 1.00 15.00 C ATOM 262 OH TYR A 251 6.294 2.295 1.818 1.00 15.00 O ATOM 0 H TYR A 251 2.453 2.254 -2.906 1.00 15.00 H new ATOM 0 HA TYR A 251 1.479 -0.525 -3.249 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.093 -1.423 -1.797 1.00 15.00 H new ATOM 0 HB3 TYR A 251 3.976 -0.552 -3.034 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.919 -0.415 0.537 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.438 1.231 -2.477 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.208 0.771 2.260 1.00 15.00 H new ATOM 0 HE2 TYR A 251 6.743 2.390 -0.758 1.00 15.00 H new ATOM 0 HH TYR A 251 7.016 2.802 1.392 1.00 15.00 H new ATOM 272 N PHE A 252 0.032 -0.197 -1.321 1.00 15.00 N ATOM 273 CA PHE A 252 -1.019 0.133 -0.371 1.00 15.00 C ATOM 274 C PHE A 252 -0.711 -0.403 1.007 1.00 15.00 C ATOM 275 O PHE A 252 -0.502 -1.603 1.190 1.00 15.00 O ATOM 276 CB PHE A 252 -2.370 -0.379 -0.870 1.00 15.00 C ATOM 277 CG PHE A 252 -2.856 0.421 -2.048 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.935 1.803 -1.960 1.00 15.00 C ATOM 279 CD2 PHE A 252 -3.180 -0.188 -3.252 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.335 2.559 -3.042 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.572 0.566 -4.341 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.649 1.942 -4.235 1.00 15.00 C ATOM 0 H PHE A 252 -0.100 -1.085 -1.805 1.00 15.00 H new ATOM 0 HA PHE A 252 -1.069 1.219 -0.291 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.282 -1.428 -1.152 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -3.102 -0.325 -0.064 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.680 2.293 -1.032 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -3.125 -1.263 -3.339 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.402 3.633 -2.955 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.818 0.081 -5.274 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.955 2.533 -5.085 1.00 15.00 H new ATOM 292 N LEU A 253 -0.690 0.502 1.969 1.00 15.00 N ATOM 293 CA LEU A 253 -0.335 0.164 3.328 1.00 15.00 C ATOM 294 C LEU A 253 -1.508 0.400 4.273 1.00 15.00 C ATOM 295 O LEU A 253 -1.956 1.527 4.461 1.00 15.00 O ATOM 296 CB LEU A 253 0.860 1.011 3.766 1.00 15.00 C ATOM 297 CG LEU A 253 1.945 0.288 4.564 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.047 1.260 4.924 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.387 -0.351 5.822 1.00 15.00 C ATOM 0 H LEU A 253 -0.918 1.486 1.827 1.00 15.00 H new ATOM 0 HA LEU A 253 -0.073 -0.893 3.367 1.00 15.00 H new ATOM 0 HB2 LEU A 253 1.319 1.441 2.876 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.489 1.841 4.367 1.00 15.00 H new ATOM 0 HG LEU A 253 2.346 -0.509 3.938 1.00 15.00 H new ATOM 0 HD11 LEU A 253 3.819 0.741 5.493 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.482 1.670 4.013 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.635 2.070 5.526 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.189 -0.855 6.361 1.00 15.00 H new ATOM 0 HD22 LEU A 253 0.950 0.419 6.458 1.00 15.00 H new ATOM 0 HD23 LEU A 253 0.620 -1.077 5.552 1.00 15.00 H new ATOM 311 N HIS A 254 -2.018 -0.671 4.842 1.00 15.00 N ATOM 312 CA HIS A 254 -2.984 -0.579 5.921 1.00 15.00 C ATOM 313 C HIS A 254 -2.459 -1.349 7.096 1.00 15.00 C ATOM 314 O HIS A 254 -2.619 -2.569 7.156 1.00 15.00 O ATOM 315 CB HIS A 254 -4.351 -1.157 5.526 1.00 15.00 C ATOM 316 CG HIS A 254 -5.302 -1.339 6.683 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.904 -0.438 7.494 1.00 15.00 N flip ATOM 318 CD2 HIS A 254 -5.691 -2.579 7.143 1.00 15.00 C flip ATOM 319 CE1 HIS A 254 -6.623 -1.144 8.426 1.00 15.00 C flip ATOM 320 NE2 HIS A 254 -6.475 -2.433 8.197 1.00 15.00 N flip ATOM 0 H HIS A 254 -1.778 -1.625 4.574 1.00 15.00 H new ATOM 0 HA HIS A 254 -3.123 0.475 6.161 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.813 -0.498 4.791 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.199 -2.121 5.040 1.00 15.00 H new ATOM 0 HD1 HIS A 254 -5.836 0.577 7.425 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -5.400 -3.524 6.709 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -7.215 -0.712 9.220 1.00 15.00 H new ATOM 329 N THR A 255 -1.801 -0.699 8.027 1.00 15.00 N ATOM 330 CA THR A 255 -1.334 -1.477 9.136 1.00 15.00 C ATOM 331 C THR A 255 -2.330 -1.429 10.286 1.00 15.00 C ATOM 332 O THR A 255 -2.301 -0.562 11.156 1.00 15.00 O ATOM 333 CB THR A 255 0.075 -1.026 9.601 1.00 15.00 C ATOM 334 OG1 THR A 255 0.439 -1.695 10.813 1.00 15.00 O ATOM 335 CG2 THR A 255 0.147 0.484 9.797 1.00 15.00 C ATOM 0 H THR A 255 -1.590 0.299 8.041 1.00 15.00 H new ATOM 0 HA THR A 255 -1.248 -2.510 8.800 1.00 15.00 H new ATOM 0 HB THR A 255 0.781 -1.296 8.816 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.331 -1.402 11.093 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.150 0.761 10.123 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.080 0.984 8.856 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.577 0.788 10.553 1.00 15.00 H new ATOM 343 N GLN A 256 -3.258 -2.365 10.213 1.00 15.00 N ATOM 344 CA GLN A 256 -3.901 -2.958 11.358 1.00 15.00 C ATOM 345 C GLN A 256 -3.233 -4.299 11.564 1.00 15.00 C ATOM 346 O GLN A 256 -2.729 -4.630 12.633 1.00 15.00 O ATOM 347 CB GLN A 256 -5.408 -3.113 11.119 1.00 15.00 C ATOM 348 CG GLN A 256 -6.116 -3.972 12.152 1.00 15.00 C ATOM 349 CD GLN A 256 -7.627 -3.959 12.007 1.00 15.00 C ATOM 350 OE1 GLN A 256 -8.180 -2.814 11.643 1.00 15.00 O flip ATOM 351 NE2 GLN A 256 -8.293 -4.959 12.256 1.00 15.00 N flip ATOM 0 H GLN A 256 -3.591 -2.741 9.325 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.798 -2.331 12.244 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.867 -2.124 11.109 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.565 -3.548 10.132 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -5.758 -4.998 12.068 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -5.850 -3.622 13.150 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -7.830 -5.824 12.534 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -9.310 -4.925 12.185 1.00 15.00 H new ATOM 360 N THR A 257 -3.230 -5.047 10.460 1.00 15.00 N ATOM 361 CA THR A 257 -2.662 -6.377 10.392 1.00 15.00 C ATOM 362 C THR A 257 -1.285 -6.365 9.827 1.00 15.00 C ATOM 363 O THR A 257 -0.496 -7.306 9.889 1.00 15.00 O ATOM 364 CB THR A 257 -3.586 -7.359 9.651 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.802 -6.890 8.313 1.00 15.00 O ATOM 366 CG2 THR A 257 -4.929 -7.473 10.359 1.00 15.00 C ATOM 0 H THR A 257 -3.632 -4.732 9.577 1.00 15.00 H new ATOM 0 HA THR A 257 -2.577 -6.740 11.416 1.00 15.00 H new ATOM 0 HB THR A 257 -3.110 -8.340 9.636 1.00 15.00 H new ATOM 0 HG1 THR A 257 -4.389 -7.515 7.838 1.00 15.00 H new ATOM 0 HG21 THR A 257 -5.567 -8.172 9.819 1.00 15.00 H new ATOM 0 HG22 THR A 257 -4.775 -7.834 11.376 1.00 15.00 H new ATOM 0 HG23 THR A 257 -5.408 -6.494 10.390 1.00 15.00 H new ATOM 374 N GLY A 258 -1.085 -5.255 9.304 1.00 15.00 N ATOM 375 CA GLY A 258 0.097 -4.925 8.521 1.00 15.00 C ATOM 376 C GLY A 258 -0.055 -5.249 7.042 1.00 15.00 C ATOM 377 O GLY A 258 0.552 -6.193 6.543 1.00 15.00 O ATOM 0 H GLY A 258 -1.744 -4.480 9.385 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.315 -3.863 8.633 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.953 -5.470 8.920 1.00 15.00 H new ATOM 381 N VAL A 259 -0.881 -4.478 6.340 1.00 15.00 N ATOM 382 CA VAL A 259 -1.027 -4.648 4.893 1.00 15.00 C ATOM 383 C VAL A 259 -0.043 -3.799 4.109 1.00 15.00 C ATOM 384 O VAL A 259 0.039 -2.591 4.285 1.00 15.00 O ATOM 385 CB VAL A 259 -2.457 -4.328 4.378 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.495 -4.302 2.857 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.416 -5.371 4.886 1.00 15.00 C ATOM 0 H VAL A 259 -1.455 -3.737 6.742 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.820 -5.705 4.725 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.746 -3.344 4.747 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.507 -4.076 2.522 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.812 -3.537 2.489 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -2.193 -5.275 2.469 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.420 -5.148 4.526 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -3.110 -6.353 4.525 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.413 -5.368 5.976 1.00 15.00 H new ATOM 397 N SER A 260 0.687 -4.470 3.245 1.00 15.00 N ATOM 398 CA SER A 260 1.469 -3.827 2.193 1.00 15.00 C ATOM 399 C SER A 260 1.368 -4.692 0.949 1.00 15.00 C ATOM 400 O SER A 260 2.009 -5.736 0.847 1.00 15.00 O ATOM 401 CB SER A 260 2.938 -3.596 2.595 1.00 15.00 C ATOM 402 OG SER A 260 3.415 -4.624 3.455 1.00 15.00 O ATOM 0 H SER A 260 0.760 -5.487 3.247 1.00 15.00 H new ATOM 0 HA SER A 260 1.063 -2.833 2.005 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.558 -3.553 1.700 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.032 -2.631 3.094 1.00 15.00 H new ATOM 0 HG SER A 260 4.350 -4.447 3.689 1.00 15.00 H new ATOM 408 N THR A 261 0.507 -4.287 0.035 1.00 15.00 N ATOM 409 CA THR A 261 0.120 -5.155 -1.060 1.00 15.00 C ATOM 410 C THR A 261 0.089 -4.409 -2.390 1.00 15.00 C ATOM 411 O THR A 261 -0.131 -3.194 -2.431 1.00 15.00 O ATOM 412 CB THR A 261 -1.252 -5.812 -0.785 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.551 -6.775 -1.799 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.360 -4.769 -0.723 1.00 15.00 C ATOM 0 H THR A 261 0.065 -3.368 0.029 1.00 15.00 H new ATOM 0 HA THR A 261 0.876 -5.937 -1.132 1.00 15.00 H new ATOM 0 HB THR A 261 -1.196 -6.311 0.182 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.966 -7.563 -1.390 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.313 -5.261 -0.528 1.00 15.00 H new ATOM 0 HG22 THR A 261 -2.148 -4.060 0.077 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.414 -4.238 -1.673 1.00 15.00 H new ATOM 422 N TRP A 262 0.357 -5.147 -3.463 1.00 15.00 N ATOM 423 CA TRP A 262 0.358 -4.596 -4.808 1.00 15.00 C ATOM 424 C TRP A 262 -1.043 -4.251 -5.294 1.00 15.00 C ATOM 425 O TRP A 262 -1.218 -3.323 -6.082 1.00 15.00 O ATOM 426 CB TRP A 262 1.004 -5.578 -5.788 1.00 15.00 C ATOM 427 CG TRP A 262 2.494 -5.484 -5.832 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.401 -6.491 -5.706 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.258 -4.307 -5.908 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.655 -6.035 -5.845 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.607 -4.706 -5.936 1.00 15.00 C ATOM 432 CE3 TRP A 262 2.958 -2.953 -5.987 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.624 -3.829 -6.025 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.002 -2.075 -6.032 1.00 15.00 C ATOM 435 CH2 TRP A 262 5.314 -2.542 -6.048 1.00 15.00 C ATOM 0 H TRP A 262 0.579 -6.142 -3.422 1.00 15.00 H new ATOM 0 HA TRP A 262 0.937 -3.674 -4.768 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.720 -6.594 -5.512 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.607 -5.396 -6.787 1.00 15.00 H new ATOM 0 HD1 TRP A 262 3.144 -7.523 -5.518 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.499 -6.607 -5.876 1.00 15.00 H new ATOM 0 HE3 TRP A 262 1.935 -2.607 -6.012 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.650 -4.161 -6.076 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 3.810 -1.013 -6.055 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.117 -1.820 -6.081 1.00 15.00 H new ATOM 446 N HIS A 263 -2.039 -5.012 -4.859 1.00 15.00 N ATOM 447 CA HIS A 263 -3.397 -4.796 -5.342 1.00 15.00 C ATOM 448 C HIS A 263 -4.081 -3.704 -4.531 1.00 15.00 C ATOM 449 O HIS A 263 -3.992 -3.682 -3.301 1.00 15.00 O ATOM 450 CB HIS A 263 -4.234 -6.096 -5.308 1.00 15.00 C ATOM 451 CG HIS A 263 -4.883 -6.399 -3.986 1.00 15.00 C ATOM 452 ND1 HIS A 263 -6.198 -6.077 -3.700 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.394 -6.985 -2.869 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.477 -6.445 -2.462 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.402 -7.000 -1.941 1.00 15.00 N ATOM 0 H HIS A 263 -1.937 -5.771 -4.185 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.328 -4.477 -6.382 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -5.010 -6.031 -6.070 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.590 -6.932 -5.580 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.849 -5.627 -4.343 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.394 -7.370 -2.734 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.425 -6.313 -1.962 1.00 15.00 H new ATOM 464 N ASP A 264 -4.747 -2.797 -5.226 1.00 15.00 N ATOM 465 CA ASP A 264 -5.621 -1.832 -4.578 1.00 15.00 C ATOM 466 C ASP A 264 -6.663 -2.591 -3.764 1.00 15.00 C ATOM 467 O ASP A 264 -7.350 -3.447 -4.291 1.00 15.00 O ATOM 468 CB ASP A 264 -6.288 -0.951 -5.643 1.00 15.00 C ATOM 469 CG ASP A 264 -7.094 0.203 -5.080 1.00 15.00 C ATOM 470 OD1 ASP A 264 -7.659 0.073 -3.978 1.00 15.00 O ATOM 471 OD2 ASP A 264 -7.185 1.246 -5.766 1.00 15.00 O1- ATOM 0 H ASP A 264 -4.699 -2.708 -6.241 1.00 15.00 H new ATOM 0 HA ASP A 264 -5.051 -1.185 -3.911 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.518 -0.553 -6.304 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -6.942 -1.572 -6.254 1.00 15.00 H new ATOM 476 N PRO A 265 -6.774 -2.323 -2.464 1.00 15.00 N ATOM 477 CA PRO A 265 -7.706 -3.036 -1.596 1.00 15.00 C ATOM 478 C PRO A 265 -9.153 -2.710 -1.902 1.00 15.00 C ATOM 479 O PRO A 265 -10.067 -3.376 -1.425 1.00 15.00 O ATOM 480 CB PRO A 265 -7.328 -2.596 -0.183 1.00 15.00 C ATOM 481 CG PRO A 265 -6.036 -1.855 -0.325 1.00 15.00 C ATOM 482 CD PRO A 265 -6.007 -1.321 -1.725 1.00 15.00 C ATOM 0 HA PRO A 265 -7.631 -4.114 -1.736 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -8.100 -1.959 0.249 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -7.217 -3.455 0.479 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -5.971 -1.045 0.401 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.188 -2.515 -0.143 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.461 -0.332 -1.791 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -4.989 -1.230 -2.103 1.00 15.00 H new ATOM 490 N ARG A 266 -9.347 -1.649 -2.653 1.00 15.00 N ATOM 491 CA ARG A 266 -10.658 -1.287 -3.143 1.00 15.00 C ATOM 492 C ARG A 266 -11.031 -2.211 -4.292 1.00 15.00 C ATOM 493 O ARG A 266 -12.169 -2.235 -4.760 1.00 15.00 O ATOM 494 CB ARG A 266 -10.610 0.150 -3.618 1.00 15.00 C ATOM 495 CG ARG A 266 -11.963 0.806 -3.803 1.00 15.00 C ATOM 496 CD ARG A 266 -12.718 0.949 -2.494 1.00 15.00 C ATOM 497 NE ARG A 266 -13.811 1.913 -2.597 1.00 15.00 N ATOM 498 CZ ARG A 266 -14.819 2.002 -1.731 1.00 15.00 C ATOM 499 NH1 ARG A 266 -14.957 1.100 -0.766 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -15.707 2.979 -1.856 1.00 15.00 N ATOM 0 H ARG A 266 -8.602 -1.014 -2.941 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.405 -1.385 -2.356 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.034 0.735 -2.901 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.072 0.187 -4.565 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -11.829 1.790 -4.252 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.558 0.216 -4.500 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -13.117 -0.021 -2.197 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.029 1.264 -1.710 1.00 15.00 H new ATOM 0 HE ARG A 266 -13.801 2.561 -3.385 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -14.289 0.334 -0.685 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -15.731 1.174 -0.106 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -15.616 3.657 -2.612 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -16.481 3.052 -1.196 1.00 15.00 H new ATOM 514 N ILE A 267 -10.037 -2.950 -4.749 1.00 15.00 N ATOM 515 CA ILE A 267 -10.228 -3.910 -5.836 1.00 15.00 C ATOM 516 C ILE A 267 -9.716 -5.299 -5.446 1.00 15.00 C ATOM 517 O ILE A 267 -10.557 -6.163 -5.128 1.00 15.00 O ATOM 518 CB ILE A 267 -9.600 -3.452 -7.186 1.00 15.00 C ATOM 519 CG1 ILE A 267 -8.097 -3.134 -7.071 1.00 15.00 C ATOM 520 CG2 ILE A 267 -10.355 -2.246 -7.734 1.00 15.00 C ATOM 521 CD1 ILE A 267 -7.448 -2.825 -8.403 1.00 15.00 C ATOM 522 OXT ILE A 267 -8.490 -5.530 -5.442 1.00 15.00 O ATOM 0 H ILE A 267 -9.084 -2.908 -4.387 1.00 15.00 H new ATOM 0 HA ILE A 267 -11.304 -3.963 -5.999 1.00 15.00 H new ATOM 0 HB ILE A 267 -9.692 -4.289 -7.878 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -7.963 -2.283 -6.403 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.587 -3.982 -6.614 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -9.907 -1.935 -8.678 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -11.399 -2.514 -7.898 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -10.300 -1.426 -7.018 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -6.390 -2.610 -8.251 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -7.552 -3.684 -9.066 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -7.934 -1.959 -8.852 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 9.196 0.733 12.611 1.00 15.00 N ATOM 536 CA SER B 210 8.544 2.057 12.493 1.00 15.00 C ATOM 537 C SER B 210 8.582 2.567 11.050 1.00 15.00 C ATOM 538 O SER B 210 7.956 3.580 10.724 1.00 15.00 O ATOM 539 CB SER B 210 9.228 3.054 13.429 1.00 15.00 C ATOM 540 OG SER B 210 9.249 2.560 14.760 1.00 15.00 O ATOM 0 HA SER B 210 7.498 1.953 12.780 1.00 15.00 H new ATOM 0 HB2 SER B 210 10.247 3.240 13.089 1.00 15.00 H new ATOM 0 HB3 SER B 210 8.703 4.009 13.398 1.00 15.00 H new ATOM 0 HG SER B 210 9.337 1.584 14.745 1.00 15.00 H new ATOM 548 N ASP B 211 9.314 1.868 10.189 1.00 15.00 N ATOM 549 CA ASP B 211 9.361 2.204 8.771 1.00 15.00 C ATOM 550 C ASP B 211 8.789 1.046 7.957 1.00 15.00 C ATOM 551 O ASP B 211 8.974 -0.123 8.310 1.00 15.00 O ATOM 552 CB ASP B 211 10.799 2.512 8.329 1.00 15.00 C ATOM 553 CG ASP B 211 11.699 1.293 8.332 1.00 15.00 C ATOM 554 OD1 ASP B 211 12.125 0.870 9.426 1.00 15.00 O1- ATOM 555 OD2 ASP B 211 11.991 0.757 7.242 1.00 15.00 O ATOM 0 H ASP B 211 9.884 1.063 10.450 1.00 15.00 H new ATOM 0 HA ASP B 211 8.761 3.098 8.599 1.00 15.00 H new ATOM 0 HB2 ASP B 211 10.780 2.939 7.326 1.00 15.00 H new ATOM 0 HB3 ASP B 211 11.221 3.269 8.990 1.00 15.00 H new ATOM 560 N PRO B 212 8.086 1.349 6.860 1.00 15.00 N ATOM 561 CA PRO B 212 7.432 0.342 6.040 1.00 15.00 C ATOM 562 C PRO B 212 8.329 -0.192 4.929 1.00 15.00 C ATOM 563 O PRO B 212 9.107 0.550 4.322 1.00 15.00 O ATOM 564 CB PRO B 212 6.243 1.103 5.436 1.00 15.00 C ATOM 565 CG PRO B 212 6.452 2.552 5.752 1.00 15.00 C ATOM 566 CD PRO B 212 7.835 2.689 6.332 1.00 15.00 C ATOM 0 HA PRO B 212 7.156 -0.536 6.625 1.00 15.00 H new ATOM 0 HB2 PRO B 212 6.190 0.946 4.359 1.00 15.00 H new ATOM 0 HB3 PRO B 212 5.302 0.747 5.856 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.350 3.160 4.853 1.00 15.00 H new ATOM 0 HG3 PRO B 212 5.702 2.903 6.461 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.567 2.972 5.575 1.00 15.00 H new ATOM 0 HD3 PRO B 212 7.875 3.448 7.113 1.00 15.00 H new ATOM 574 N GLY B 213 8.197 -1.481 4.659 1.00 15.00 N ATOM 575 CA GLY B 213 8.942 -2.092 3.587 1.00 15.00 C ATOM 576 C GLY B 213 8.188 -2.029 2.278 1.00 15.00 C ATOM 577 O GLY B 213 6.955 -2.047 2.264 1.00 15.00 O ATOM 0 H GLY B 213 7.582 -2.116 5.169 1.00 15.00 H new ATOM 0 HA2 GLY B 213 9.903 -1.589 3.478 1.00 15.00 H new ATOM 0 HA3 GLY B 213 9.153 -3.132 3.836 1.00 15.00 H new HETATM 581 N SEP B 214 8.928 -1.968 1.190 1.00 15.00 N HETATM 582 CA SEP B 214 8.358 -1.826 -0.134 1.00 15.00 C HETATM 583 CB SEP B 214 9.240 -0.953 -1.043 1.00 15.00 C HETATM 584 OG SEP B 214 10.622 -1.221 -0.910 1.00 15.00 O HETATM 585 C SEP B 214 8.062 -3.181 -0.782 1.00 15.00 C HETATM 586 O SEP B 214 8.591 -4.218 -0.377 1.00 15.00 O HETATM 587 P SEP B 214 11.747 -0.329 -1.676 1.00 15.00 P HETATM 588 O1P SEP B 214 12.038 -0.944 -2.984 1.00 15.00 O HETATM 589 O2P SEP B 214 11.217 1.028 -1.860 1.00 15.00 O HETATM 590 O3P SEP B 214 12.954 -0.293 -0.843 1.00 15.00 O HETATM 0 HB3 SEP B 214 8.945 -1.109 -2.081 1.00 15.00 H new HETATM 0 HB2 SEP B 214 9.057 0.097 -0.814 1.00 15.00 H new HETATM 0 HA SEP B 214 7.404 -1.313 -0.011 1.00 15.00 H new HETATM 0 H SEP B 214 9.812 -1.513 1.416 1.00 15.00 H new ATOM 595 N PRO B 215 7.195 -3.166 -1.803 1.00 15.00 N ATOM 596 CA PRO B 215 6.799 -4.362 -2.548 1.00 15.00 C ATOM 597 C PRO B 215 7.772 -4.631 -3.695 1.00 15.00 C ATOM 598 O PRO B 215 8.157 -3.709 -4.412 1.00 15.00 O ATOM 599 CB PRO B 215 5.501 -3.936 -3.234 1.00 15.00 C ATOM 600 CG PRO B 215 5.116 -2.662 -2.622 1.00 15.00 C ATOM 601 CD PRO B 215 6.378 -2.020 -2.154 1.00 15.00 C ATOM 0 HA PRO B 215 6.744 -5.233 -1.894 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.647 -3.824 -4.308 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.722 -4.686 -3.095 1.00 15.00 H new ATOM 0 HG2 PRO B 215 4.601 -2.026 -3.342 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.430 -2.823 -1.790 1.00 15.00 H new ATOM 0 HD2 PRO B 215 6.840 -1.415 -2.934 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.208 -1.364 -1.300 1.00 15.00 H new ATOM 609 N PHE B 216 8.197 -5.876 -3.856 1.00 15.00 N ATOM 610 CA PHE B 216 9.181 -6.193 -4.886 1.00 15.00 C ATOM 611 C PHE B 216 8.581 -7.051 -5.995 1.00 15.00 C ATOM 612 O PHE B 216 9.040 -7.012 -7.135 1.00 15.00 O ATOM 613 CB PHE B 216 10.401 -6.890 -4.279 1.00 15.00 C ATOM 614 CG PHE B 216 11.106 -6.063 -3.238 1.00 15.00 C ATOM 615 CD1 PHE B 216 11.887 -4.980 -3.608 1.00 15.00 C ATOM 616 CD2 PHE B 216 10.980 -6.366 -1.891 1.00 15.00 C ATOM 617 CE1 PHE B 216 12.532 -4.217 -2.653 1.00 15.00 C ATOM 618 CE2 PHE B 216 11.623 -5.606 -0.933 1.00 15.00 C ATOM 619 CZ PHE B 216 12.399 -4.530 -1.315 1.00 15.00 C ATOM 0 H PHE B 216 7.884 -6.671 -3.299 1.00 15.00 H new ATOM 0 HA PHE B 216 9.500 -5.249 -5.328 1.00 15.00 H new ATOM 0 HB2 PHE B 216 10.086 -7.833 -3.831 1.00 15.00 H new ATOM 0 HB3 PHE B 216 11.104 -7.134 -5.075 1.00 15.00 H new ATOM 0 HD1 PHE B 216 11.993 -4.730 -4.653 1.00 15.00 H new ATOM 0 HD2 PHE B 216 10.372 -7.206 -1.587 1.00 15.00 H new ATOM 0 HE1 PHE B 216 13.140 -3.376 -2.953 1.00 15.00 H new ATOM 0 HE2 PHE B 216 11.519 -5.853 0.113 1.00 15.00 H new ATOM 0 HZ PHE B 216 12.902 -3.934 -0.568 1.00 15.00 H new ATOM 629 N GLN B 217 7.570 -7.840 -5.653 1.00 15.00 N ATOM 630 CA GLN B 217 6.892 -8.687 -6.625 1.00 15.00 C ATOM 631 C GLN B 217 5.548 -9.116 -6.068 1.00 15.00 C ATOM 632 O GLN B 217 4.619 -9.366 -6.861 1.00 15.00 O ATOM 633 CB GLN B 217 7.740 -9.915 -6.985 1.00 15.00 C ATOM 634 CG GLN B 217 8.030 -10.839 -5.809 1.00 15.00 C ATOM 635 CD GLN B 217 8.829 -12.064 -6.216 1.00 15.00 C ATOM 636 OE1 GLN B 217 8.734 -12.539 -7.351 1.00 15.00 O ATOM 637 NE2 GLN B 217 9.611 -12.600 -5.293 1.00 15.00 N ATOM 638 OXT GLN B 217 5.419 -9.153 -4.828 1.00 15.00 O ATOM 0 H GLN B 217 7.200 -7.911 -4.705 1.00 15.00 H new ATOM 0 HA GLN B 217 6.741 -8.114 -7.540 1.00 15.00 H new ATOM 0 HB2 GLN B 217 7.226 -10.483 -7.761 1.00 15.00 H new ATOM 0 HB3 GLN B 217 8.686 -9.578 -7.410 1.00 15.00 H new ATOM 0 HG2 GLN B 217 8.579 -10.288 -5.045 1.00 15.00 H new ATOM 0 HG3 GLN B 217 7.089 -11.156 -5.359 1.00 15.00 H new ATOM 0 HE21 GLN B 217 9.665 -12.181 -4.365 1.00 15.00 H new ATOM 0 HE22 GLN B 217 10.159 -13.432 -5.510 1.00 15.00 H new TER 647 GLN B 217