USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 333 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 302 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0.56) USER MOD Set 1.2: A 303 ASN : amide:sc= 0.557 K(o=0.56,f=0) USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 291 THR OG1 : rot -27:sc= 0.368 USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 297 TYR OH : rot -100:sc= 0.361 USER MOD Single : A 301 HIS :FLIP no HE2:sc= -6.87! C(o=-12!,f=-6.9!) USER MOD Single : A 305 THR OG1 : rot -59:sc= 1.1 USER MOD Single : A 306 THR OG1 : rot 43:sc= 0.0542 USER MOD Single : A 307 GLN :FLIP amide:sc= -0.424 F(o=-1.3!,f=-0.42) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 180:sc= -2.56! USER MOD Single : B 227 TYR OH : rot 180:sc= 0.262 USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 282 -8.850 6.828 3.287 1.00 15.00 N ATOM 44 CA LEU A 282 -7.589 6.184 3.624 1.00 15.00 C ATOM 45 C LEU A 282 -7.288 6.378 5.110 1.00 15.00 C ATOM 46 O LEU A 282 -7.118 7.511 5.567 1.00 15.00 O ATOM 47 CB LEU A 282 -6.457 6.774 2.775 1.00 15.00 C ATOM 48 CG LEU A 282 -5.060 6.233 3.074 1.00 15.00 C ATOM 49 CD1 LEU A 282 -4.924 4.793 2.603 1.00 15.00 C ATOM 50 CD2 LEU A 282 -4.003 7.107 2.420 1.00 15.00 C ATOM 0 HA LEU A 282 -7.666 5.117 3.415 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -6.681 6.591 1.724 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -6.447 7.855 2.915 1.00 15.00 H new ATOM 0 HG LEU A 282 -4.911 6.253 4.154 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -3.921 4.430 2.827 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -5.658 4.171 3.116 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -5.096 4.744 1.528 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -3.013 6.709 2.642 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -4.156 7.117 1.341 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -4.080 8.123 2.807 1.00 15.00 H new ATOM 62 N PRO A 283 -7.237 5.286 5.885 1.00 15.00 N ATOM 63 CA PRO A 283 -6.995 5.350 7.331 1.00 15.00 C ATOM 64 C PRO A 283 -5.578 5.810 7.667 1.00 15.00 C ATOM 65 O PRO A 283 -4.606 5.332 7.080 1.00 15.00 O ATOM 66 CB PRO A 283 -7.209 3.903 7.805 1.00 15.00 C ATOM 67 CG PRO A 283 -7.890 3.212 6.672 1.00 15.00 C ATOM 68 CD PRO A 283 -7.413 3.903 5.430 1.00 15.00 C ATOM 0 HA PRO A 283 -7.654 6.072 7.814 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -6.260 3.423 8.044 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -7.819 3.871 8.708 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -7.638 2.152 6.652 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -8.974 3.280 6.766 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.481 3.476 5.060 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.140 3.831 4.621 1.00 15.00 H new ATOM 76 N PRO A 284 -5.444 6.748 8.621 1.00 15.00 N ATOM 77 CA PRO A 284 -4.137 7.222 9.094 1.00 15.00 C ATOM 78 C PRO A 284 -3.249 6.070 9.552 1.00 15.00 C ATOM 79 O PRO A 284 -3.612 5.312 10.453 1.00 15.00 O ATOM 80 CB PRO A 284 -4.491 8.132 10.272 1.00 15.00 C ATOM 81 CG PRO A 284 -5.887 8.574 10.003 1.00 15.00 C ATOM 82 CD PRO A 284 -6.557 7.422 9.315 1.00 15.00 C ATOM 0 HA PRO A 284 -3.573 7.728 8.311 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -4.420 7.598 11.220 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -3.812 8.982 10.334 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -6.402 8.829 10.930 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -5.901 9.465 9.376 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -7.048 6.759 10.027 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -7.321 7.760 8.615 1.00 15.00 H new ATOM 90 N GLY A 285 -2.098 5.935 8.912 1.00 15.00 N ATOM 91 CA GLY A 285 -1.216 4.815 9.178 1.00 15.00 C ATOM 92 C GLY A 285 -1.035 3.972 7.938 1.00 15.00 C ATOM 93 O GLY A 285 -0.091 3.183 7.831 1.00 15.00 O ATOM 0 H GLY A 285 -1.755 6.587 8.206 1.00 15.00 H new ATOM 0 HA2 GLY A 285 -0.248 5.181 9.519 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -1.627 4.205 9.982 1.00 15.00 H new ATOM 97 N TRP A 286 -1.939 4.169 6.989 1.00 15.00 N ATOM 98 CA TRP A 286 -1.879 3.493 5.705 1.00 15.00 C ATOM 99 C TRP A 286 -1.073 4.316 4.730 1.00 15.00 C ATOM 100 O TRP A 286 -1.515 5.377 4.283 1.00 15.00 O ATOM 101 CB TRP A 286 -3.293 3.292 5.126 1.00 15.00 C ATOM 102 CG TRP A 286 -3.975 2.043 5.578 1.00 15.00 C ATOM 103 CD1 TRP A 286 -4.192 1.652 6.867 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.538 1.018 4.742 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.832 0.439 6.890 1.00 15.00 N ATOM 106 CE2 TRP A 286 -5.052 0.026 5.604 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.655 0.826 3.349 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.660 -1.133 5.131 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.253 -0.334 2.894 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.744 -1.300 3.778 1.00 15.00 C ATOM 0 H TRP A 286 -2.733 4.801 7.089 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.410 2.521 5.857 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -3.910 4.148 5.401 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -3.228 3.282 4.038 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -3.902 2.215 7.742 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -5.101 -0.073 7.730 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -4.286 1.567 2.655 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -6.052 -1.875 5.811 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.343 -0.498 1.830 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -6.199 -2.196 3.383 1.00 15.00 H new ATOM 121 N GLU A 287 0.123 3.857 4.431 1.00 15.00 N ATOM 122 CA GLU A 287 0.907 4.483 3.404 1.00 15.00 C ATOM 123 C GLU A 287 0.669 3.751 2.103 1.00 15.00 C ATOM 124 O GLU A 287 0.894 2.546 2.000 1.00 15.00 O ATOM 125 CB GLU A 287 2.386 4.501 3.779 1.00 15.00 C ATOM 126 CG GLU A 287 2.856 5.849 4.306 1.00 15.00 C ATOM 127 CD GLU A 287 2.000 6.380 5.438 1.00 15.00 C ATOM 128 OE1 GLU A 287 2.182 5.934 6.588 1.00 15.00 O ATOM 129 OE2 GLU A 287 1.155 7.263 5.184 1.00 15.00 O1- ATOM 0 H GLU A 287 0.566 3.058 4.884 1.00 15.00 H new ATOM 0 HA GLU A 287 0.603 5.523 3.289 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.571 3.738 4.535 1.00 15.00 H new ATOM 0 HB3 GLU A 287 2.979 4.234 2.904 1.00 15.00 H new ATOM 0 HG2 GLU A 287 3.886 5.758 4.650 1.00 15.00 H new ATOM 0 HG3 GLU A 287 2.856 6.571 3.489 1.00 15.00 H new ATOM 136 N VAL A 288 0.182 4.472 1.123 1.00 15.00 N ATOM 137 CA VAL A 288 -0.130 3.883 -0.156 1.00 15.00 C ATOM 138 C VAL A 288 1.090 3.953 -1.056 1.00 15.00 C ATOM 139 O VAL A 288 1.423 5.004 -1.605 1.00 15.00 O ATOM 140 CB VAL A 288 -1.355 4.576 -0.810 1.00 15.00 C ATOM 141 CG1 VAL A 288 -1.250 6.092 -0.715 1.00 15.00 C ATOM 142 CG2 VAL A 288 -1.511 4.147 -2.259 1.00 15.00 C ATOM 0 H VAL A 288 -0.008 5.472 1.187 1.00 15.00 H new ATOM 0 HA VAL A 288 -0.398 2.837 -0.008 1.00 15.00 H new ATOM 0 HB VAL A 288 -2.242 4.263 -0.259 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -2.123 6.547 -1.182 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -1.203 6.389 0.333 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -0.348 6.427 -1.228 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -2.376 4.646 -2.695 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -0.615 4.419 -2.817 1.00 15.00 H new ATOM 0 HG23 VAL A 288 -1.653 3.067 -2.305 1.00 15.00 H new ATOM 152 N ARG A 289 1.790 2.838 -1.175 1.00 15.00 N ATOM 153 CA ARG A 289 2.995 2.823 -1.961 1.00 15.00 C ATOM 154 C ARG A 289 2.622 2.428 -3.385 1.00 15.00 C ATOM 155 O ARG A 289 2.287 1.279 -3.672 1.00 15.00 O ATOM 156 CB ARG A 289 4.046 1.900 -1.311 1.00 15.00 C ATOM 157 CG ARG A 289 5.498 2.277 -1.613 1.00 15.00 C ATOM 158 CD ARG A 289 5.907 1.978 -3.047 1.00 15.00 C ATOM 159 NE ARG A 289 7.287 2.388 -3.328 1.00 15.00 N ATOM 160 CZ ARG A 289 8.309 1.542 -3.496 1.00 15.00 C ATOM 161 NH1 ARG A 289 8.151 0.241 -3.314 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 9.504 2.005 -3.819 1.00 15.00 N ATOM 0 H ARG A 289 1.544 1.948 -0.742 1.00 15.00 H new ATOM 0 HA ARG A 289 3.461 3.808 -2.000 1.00 15.00 H new ATOM 0 HB2 ARG A 289 3.899 1.908 -0.231 1.00 15.00 H new ATOM 0 HB3 ARG A 289 3.872 0.878 -1.649 1.00 15.00 H new ATOM 0 HG2 ARG A 289 5.640 3.340 -1.415 1.00 15.00 H new ATOM 0 HG3 ARG A 289 6.156 1.736 -0.934 1.00 15.00 H new ATOM 0 HD2 ARG A 289 5.801 0.910 -3.238 1.00 15.00 H new ATOM 0 HD3 ARG A 289 5.231 2.492 -3.730 1.00 15.00 H new ATOM 0 HE ARG A 289 7.480 3.387 -3.400 1.00 15.00 H new ATOM 0 HH11 ARG A 289 7.240 -0.129 -3.042 1.00 15.00 H new ATOM 0 HH12 ARG A 289 8.940 -0.392 -3.446 1.00 15.00 H new ATOM 0 HH21 ARG A 289 9.647 3.008 -3.940 1.00 15.00 H new ATOM 0 HH22 ARG A 289 10.283 1.360 -3.947 1.00 15.00 H new ATOM 176 N SER A 290 2.577 3.437 -4.238 1.00 15.00 N ATOM 177 CA SER A 290 2.177 3.272 -5.621 1.00 15.00 C ATOM 178 C SER A 290 3.399 2.991 -6.477 1.00 15.00 C ATOM 179 O SER A 290 4.448 3.605 -6.289 1.00 15.00 O ATOM 180 CB SER A 290 1.467 4.546 -6.085 1.00 15.00 C ATOM 181 OG SER A 290 1.209 4.532 -7.480 1.00 15.00 O ATOM 0 H SER A 290 2.818 4.396 -3.988 1.00 15.00 H new ATOM 0 HA SER A 290 1.493 2.429 -5.718 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.527 4.655 -5.544 1.00 15.00 H new ATOM 0 HB3 SER A 290 2.080 5.413 -5.838 1.00 15.00 H new ATOM 0 HG SER A 290 0.754 5.361 -7.737 1.00 15.00 H new ATOM 187 N THR A 291 3.269 2.069 -7.414 1.00 15.00 N ATOM 188 CA THR A 291 4.390 1.707 -8.252 1.00 15.00 C ATOM 189 C THR A 291 3.999 1.736 -9.731 1.00 15.00 C ATOM 190 O THR A 291 2.925 1.248 -10.112 1.00 15.00 O ATOM 191 CB THR A 291 4.947 0.327 -7.849 1.00 15.00 C ATOM 192 OG1 THR A 291 3.910 -0.664 -7.911 1.00 15.00 O ATOM 193 CG2 THR A 291 5.513 0.377 -6.432 1.00 15.00 C ATOM 0 H THR A 291 2.405 1.563 -7.610 1.00 15.00 H new ATOM 0 HA THR A 291 5.179 2.444 -8.104 1.00 15.00 H new ATOM 0 HB THR A 291 5.743 0.062 -8.545 1.00 15.00 H new ATOM 0 HG1 THR A 291 3.040 -0.237 -7.766 1.00 15.00 H new ATOM 0 HG21 THR A 291 5.903 -0.604 -6.161 1.00 15.00 H new ATOM 0 HG22 THR A 291 6.317 1.112 -6.387 1.00 15.00 H new ATOM 0 HG23 THR A 291 4.724 0.659 -5.735 1.00 15.00 H new ATOM 201 N VAL A 292 4.885 2.309 -10.553 1.00 15.00 N ATOM 202 CA VAL A 292 4.613 2.568 -11.970 1.00 15.00 C ATOM 203 C VAL A 292 4.371 1.274 -12.758 1.00 15.00 C ATOM 204 O VAL A 292 3.850 1.304 -13.877 1.00 15.00 O ATOM 205 CB VAL A 292 5.763 3.379 -12.620 1.00 15.00 C ATOM 206 CG1 VAL A 292 7.023 2.536 -12.760 1.00 15.00 C ATOM 207 CG2 VAL A 292 5.335 3.954 -13.966 1.00 15.00 C ATOM 0 H VAL A 292 5.813 2.607 -10.253 1.00 15.00 H new ATOM 0 HA VAL A 292 3.698 3.159 -12.010 1.00 15.00 H new ATOM 0 HB VAL A 292 5.995 4.213 -11.958 1.00 15.00 H new ATOM 0 HG11 VAL A 292 7.811 3.133 -13.219 1.00 15.00 H new ATOM 0 HG12 VAL A 292 7.348 2.202 -11.775 1.00 15.00 H new ATOM 0 HG13 VAL A 292 6.813 1.669 -13.386 1.00 15.00 H new ATOM 0 HG21 VAL A 292 6.161 4.518 -14.400 1.00 15.00 H new ATOM 0 HG22 VAL A 292 5.059 3.141 -14.638 1.00 15.00 H new ATOM 0 HG23 VAL A 292 4.479 4.614 -13.824 1.00 15.00 H new ATOM 217 N SER A 293 4.735 0.140 -12.165 1.00 15.00 N ATOM 218 CA SER A 293 4.433 -1.173 -12.735 1.00 15.00 C ATOM 219 C SER A 293 2.920 -1.338 -12.943 1.00 15.00 C ATOM 220 O SER A 293 2.464 -2.245 -13.643 1.00 15.00 O ATOM 221 CB SER A 293 4.977 -2.283 -11.831 1.00 15.00 C ATOM 222 OG SER A 293 4.867 -3.556 -12.441 1.00 15.00 O ATOM 0 H SER A 293 5.244 0.103 -11.282 1.00 15.00 H new ATOM 0 HA SER A 293 4.920 -1.248 -13.707 1.00 15.00 H new ATOM 0 HB2 SER A 293 6.022 -2.081 -11.596 1.00 15.00 H new ATOM 0 HB3 SER A 293 4.432 -2.283 -10.887 1.00 15.00 H new ATOM 0 HG SER A 293 5.225 -4.240 -11.837 1.00 15.00 H new ATOM 228 N GLY A 294 2.151 -0.454 -12.320 1.00 15.00 N ATOM 229 CA GLY A 294 0.714 -0.468 -12.467 1.00 15.00 C ATOM 230 C GLY A 294 0.031 -1.324 -11.434 1.00 15.00 C ATOM 231 O GLY A 294 -0.861 -2.108 -11.755 1.00 15.00 O ATOM 0 H GLY A 294 2.506 0.281 -11.708 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.336 0.552 -12.395 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.458 -0.833 -13.462 1.00 15.00 H new ATOM 235 N ARG A 295 0.458 -1.179 -10.188 1.00 15.00 N ATOM 236 CA ARG A 295 -0.234 -1.813 -9.081 1.00 15.00 C ATOM 237 C ARG A 295 -0.074 -0.981 -7.818 1.00 15.00 C ATOM 238 O ARG A 295 1.004 -0.441 -7.541 1.00 15.00 O ATOM 239 CB ARG A 295 0.252 -3.254 -8.830 1.00 15.00 C ATOM 240 CG ARG A 295 1.628 -3.375 -8.187 1.00 15.00 C ATOM 241 CD ARG A 295 2.744 -3.324 -9.214 1.00 15.00 C ATOM 242 NE ARG A 295 4.058 -3.508 -8.597 1.00 15.00 N ATOM 243 CZ ARG A 295 4.850 -4.556 -8.842 1.00 15.00 C ATOM 244 NH1 ARG A 295 4.476 -5.479 -9.718 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 6.016 -4.680 -8.220 1.00 15.00 N ATOM 0 H ARG A 295 1.276 -0.631 -9.921 1.00 15.00 H new ATOM 0 HA ARG A 295 -1.288 -1.871 -9.352 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -0.474 -3.759 -8.193 1.00 15.00 H new ATOM 0 HB3 ARG A 295 0.266 -3.786 -9.781 1.00 15.00 H new ATOM 0 HG2 ARG A 295 1.763 -2.569 -7.465 1.00 15.00 H new ATOM 0 HG3 ARG A 295 1.688 -4.312 -7.633 1.00 15.00 H new ATOM 0 HD2 ARG A 295 2.583 -4.098 -9.965 1.00 15.00 H new ATOM 0 HD3 ARG A 295 2.717 -2.366 -9.733 1.00 15.00 H new ATOM 0 HE ARG A 295 4.388 -2.797 -7.944 1.00 15.00 H new ATOM 0 HH11 ARG A 295 3.584 -5.389 -10.204 1.00 15.00 H new ATOM 0 HH12 ARG A 295 5.080 -6.279 -9.905 1.00 15.00 H new ATOM 0 HH21 ARG A 295 6.314 -3.972 -7.549 1.00 15.00 H new ATOM 0 HH22 ARG A 295 6.614 -5.483 -8.413 1.00 15.00 H new ATOM 259 N ILE A 296 -1.157 -0.875 -7.073 1.00 15.00 N ATOM 260 CA ILE A 296 -1.116 -0.273 -5.755 1.00 15.00 C ATOM 261 C ILE A 296 -0.833 -1.370 -4.743 1.00 15.00 C ATOM 262 O ILE A 296 -1.314 -2.497 -4.898 1.00 15.00 O ATOM 263 CB ILE A 296 -2.451 0.432 -5.404 1.00 15.00 C ATOM 264 CG1 ILE A 296 -2.332 1.156 -4.063 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.610 -0.561 -5.370 1.00 15.00 C ATOM 266 CD1 ILE A 296 -3.600 1.870 -3.651 1.00 15.00 C ATOM 0 H ILE A 296 -2.080 -1.200 -7.360 1.00 15.00 H new ATOM 0 HA ILE A 296 -0.334 0.486 -5.737 1.00 15.00 H new ATOM 0 HB ILE A 296 -2.660 1.164 -6.184 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -2.063 0.434 -3.292 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -1.519 1.879 -4.120 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.532 -0.036 -5.121 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.714 -1.033 -6.347 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.413 -1.325 -4.617 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -3.445 2.362 -2.691 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -3.859 2.615 -4.403 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -4.412 1.148 -3.562 1.00 15.00 H new ATOM 278 N TYR A 297 -0.043 -1.074 -3.725 1.00 15.00 N ATOM 279 CA TYR A 297 0.317 -2.110 -2.781 1.00 15.00 C ATOM 280 C TYR A 297 0.545 -1.461 -1.443 1.00 15.00 C ATOM 281 O TYR A 297 1.241 -0.439 -1.322 1.00 15.00 O ATOM 282 CB TYR A 297 1.515 -2.968 -3.258 1.00 15.00 C ATOM 283 CG TYR A 297 2.895 -2.508 -2.856 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.473 -1.387 -3.418 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.634 -3.228 -1.918 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.738 -0.987 -3.052 1.00 15.00 C ATOM 287 CE2 TYR A 297 4.897 -2.833 -1.550 1.00 15.00 C ATOM 288 CZ TYR A 297 5.445 -1.710 -2.118 1.00 15.00 C ATOM 289 OH TYR A 297 6.700 -1.300 -1.745 1.00 15.00 O ATOM 0 H TYR A 297 0.350 -0.152 -3.536 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.500 -2.827 -2.695 1.00 15.00 H new ATOM 0 HB2 TYR A 297 1.375 -3.982 -2.884 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.480 -3.022 -4.346 1.00 15.00 H new ATOM 0 HD1 TYR A 297 2.926 -0.817 -4.154 1.00 15.00 H new ATOM 0 HD2 TYR A 297 3.205 -4.113 -1.472 1.00 15.00 H new ATOM 0 HE1 TYR A 297 5.176 -0.106 -3.498 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.454 -3.401 -0.820 1.00 15.00 H new ATOM 0 HH TYR A 297 7.372 -1.832 -2.220 1.00 15.00 H new ATOM 299 N PHE A 298 -0.086 -2.015 -0.448 1.00 15.00 N ATOM 300 CA PHE A 298 -0.149 -1.370 0.809 1.00 15.00 C ATOM 301 C PHE A 298 0.960 -1.707 1.742 1.00 15.00 C ATOM 302 O PHE A 298 1.342 -2.861 1.925 1.00 15.00 O ATOM 303 CB PHE A 298 -1.477 -1.617 1.446 1.00 15.00 C ATOM 304 CG PHE A 298 -2.305 -0.447 1.187 1.00 15.00 C ATOM 305 CD1 PHE A 298 -1.950 0.739 1.779 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.375 -0.491 0.322 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.650 1.873 1.535 1.00 15.00 C ATOM 308 CE2 PHE A 298 -4.090 0.648 0.070 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.718 1.827 0.685 1.00 15.00 C ATOM 0 H PHE A 298 -0.562 -2.916 -0.494 1.00 15.00 H new ATOM 0 HA PHE A 298 -0.024 -0.307 0.602 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -1.940 -2.514 1.035 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.365 -1.779 2.518 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -1.102 0.769 2.448 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.649 -1.420 -0.155 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.367 2.802 2.007 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -4.935 0.625 -0.602 1.00 15.00 H new ATOM 0 HZ PHE A 298 -4.281 2.728 0.491 1.00 15.00 H new ATOM 319 N VAL A 299 1.420 -0.650 2.365 1.00 15.00 N ATOM 320 CA VAL A 299 2.486 -0.691 3.302 1.00 15.00 C ATOM 321 C VAL A 299 2.099 0.185 4.495 1.00 15.00 C ATOM 322 O VAL A 299 2.324 1.398 4.523 1.00 15.00 O ATOM 323 CB VAL A 299 3.780 -0.191 2.623 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.261 -1.194 1.577 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.530 1.148 1.949 1.00 15.00 C ATOM 0 H VAL A 299 1.042 0.286 2.221 1.00 15.00 H new ATOM 0 HA VAL A 299 2.668 -1.707 3.653 1.00 15.00 H new ATOM 0 HB VAL A 299 4.546 -0.080 3.391 1.00 15.00 H new ATOM 0 HG11 VAL A 299 5.174 -0.823 1.110 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.462 -2.152 2.057 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.491 -1.324 0.816 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.448 1.493 1.473 1.00 15.00 H new ATOM 0 HG22 VAL A 299 2.750 1.036 1.196 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.212 1.877 2.695 1.00 15.00 H new ATOM 335 N ASP A 300 1.449 -0.422 5.463 1.00 15.00 N ATOM 336 CA ASP A 300 1.023 0.309 6.635 1.00 15.00 C ATOM 337 C ASP A 300 2.112 0.215 7.683 1.00 15.00 C ATOM 338 O ASP A 300 2.472 -0.880 8.133 1.00 15.00 O ATOM 339 CB ASP A 300 -0.337 -0.208 7.141 1.00 15.00 C ATOM 340 CG ASP A 300 -0.329 -0.595 8.604 1.00 15.00 C ATOM 341 OD1 ASP A 300 -0.541 0.279 9.471 1.00 15.00 O ATOM 342 OD2 ASP A 300 -0.109 -1.781 8.895 1.00 15.00 O1- ATOM 0 H ASP A 300 1.205 -1.412 5.462 1.00 15.00 H new ATOM 0 HA ASP A 300 0.871 1.360 6.391 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -1.092 0.562 6.981 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -0.632 -1.072 6.546 1.00 15.00 H new ATOM 347 N HIS A 301 2.672 1.369 8.029 1.00 15.00 N ATOM 348 CA HIS A 301 3.826 1.415 8.911 1.00 15.00 C ATOM 349 C HIS A 301 3.388 1.265 10.364 1.00 15.00 C ATOM 350 O HIS A 301 4.211 1.060 11.253 1.00 15.00 O ATOM 351 CB HIS A 301 4.603 2.736 8.780 1.00 15.00 C ATOM 352 CG HIS A 301 4.934 3.215 7.387 1.00 15.00 C ATOM 353 ND1 HIS A 301 5.328 2.566 6.260 1.00 15.00 N flip ATOM 354 CD2 HIS A 301 4.990 4.550 7.080 1.00 15.00 C flip ATOM 355 CE1 HIS A 301 5.629 3.518 5.317 1.00 15.00 C flip ATOM 356 NE2 HIS A 301 5.408 4.704 5.845 1.00 15.00 N flip ATOM 0 H HIS A 301 2.345 2.281 7.712 1.00 15.00 H new ATOM 0 HA HIS A 301 4.477 0.592 8.617 1.00 15.00 H new ATOM 0 HB2 HIS A 301 4.026 3.516 9.276 1.00 15.00 H new ATOM 0 HB3 HIS A 301 5.538 2.632 9.331 1.00 15.00 H new ATOM 0 HD1 HIS A 301 5.389 1.555 6.137 1.00 15.00 H new ATOM 0 HD2 HIS A 301 4.730 5.354 7.753 1.00 15.00 H new ATOM 0 HE1 HIS A 301 5.985 3.327 4.316 1.00 15.00 H new ATOM 365 N ASN A 302 2.088 1.394 10.602 1.00 15.00 N ATOM 366 CA ASN A 302 1.556 1.369 11.958 1.00 15.00 C ATOM 367 C ASN A 302 1.375 -0.061 12.443 1.00 15.00 C ATOM 368 O ASN A 302 1.905 -0.448 13.485 1.00 15.00 O ATOM 369 CB ASN A 302 0.223 2.123 12.025 1.00 15.00 C ATOM 370 CG ASN A 302 -0.368 2.155 13.425 1.00 15.00 C ATOM 371 OD1 ASN A 302 -1.240 1.204 13.727 1.00 15.00 O flip ATOM 372 ND2 ASN A 302 -0.057 3.040 14.222 1.00 15.00 N flip ATOM 0 H ASN A 302 1.384 1.517 9.874 1.00 15.00 H new ATOM 0 HA ASN A 302 2.273 1.865 12.612 1.00 15.00 H new ATOM 0 HB2 ASN A 302 0.371 3.145 11.675 1.00 15.00 H new ATOM 0 HB3 ASN A 302 -0.489 1.654 11.346 1.00 15.00 H new ATOM 0 HD21 ASN A 302 0.619 3.755 13.952 1.00 15.00 H new ATOM 0 HD22 ASN A 302 -0.475 3.058 15.152 1.00 15.00 H new ATOM 379 N ASN A 303 0.623 -0.839 11.685 1.00 15.00 N ATOM 380 CA ASN A 303 0.344 -2.224 12.046 1.00 15.00 C ATOM 381 C ASN A 303 1.379 -3.160 11.437 1.00 15.00 C ATOM 382 O ASN A 303 1.454 -4.333 11.813 1.00 15.00 O ATOM 383 CB ASN A 303 -1.060 -2.635 11.589 1.00 15.00 C ATOM 384 CG ASN A 303 -2.144 -1.732 12.139 1.00 15.00 C ATOM 385 OD1 ASN A 303 -2.679 -1.972 13.218 1.00 15.00 O ATOM 386 ND2 ASN A 303 -2.471 -0.676 11.402 1.00 15.00 N ATOM 0 H ASN A 303 0.192 -0.537 10.812 1.00 15.00 H new ATOM 0 HA ASN A 303 0.396 -2.301 13.132 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -1.101 -2.622 10.500 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.254 -3.661 11.903 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -3.190 -0.030 11.727 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -2.003 -0.511 10.511 1.00 15.00 H new ATOM 393 N ARG A 304 2.142 -2.636 10.469 1.00 15.00 N ATOM 394 CA ARG A 304 3.170 -3.398 9.761 1.00 15.00 C ATOM 395 C ARG A 304 2.516 -4.374 8.789 1.00 15.00 C ATOM 396 O ARG A 304 3.030 -5.467 8.542 1.00 15.00 O ATOM 397 CB ARG A 304 4.071 -4.152 10.750 1.00 15.00 C ATOM 398 CG ARG A 304 5.549 -3.855 10.577 1.00 15.00 C ATOM 399 CD ARG A 304 5.873 -2.414 10.940 1.00 15.00 C ATOM 400 NE ARG A 304 5.657 -2.137 12.356 1.00 15.00 N ATOM 401 CZ ARG A 304 6.244 -1.147 13.024 1.00 15.00 C ATOM 402 NH1 ARG A 304 7.079 -0.317 12.404 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 5.991 -0.989 14.318 1.00 15.00 N ATOM 0 H ARG A 304 2.061 -1.668 10.156 1.00 15.00 H new ATOM 0 HA ARG A 304 3.793 -2.701 9.200 1.00 15.00 H new ATOM 0 HB2 ARG A 304 3.774 -3.895 11.767 1.00 15.00 H new ATOM 0 HB3 ARG A 304 3.908 -5.223 10.632 1.00 15.00 H new ATOM 0 HG2 ARG A 304 6.133 -4.529 11.204 1.00 15.00 H new ATOM 0 HG3 ARG A 304 5.841 -4.046 9.544 1.00 15.00 H new ATOM 0 HD2 ARG A 304 6.911 -2.202 10.685 1.00 15.00 H new ATOM 0 HD3 ARG A 304 5.255 -1.744 10.343 1.00 15.00 H new ATOM 0 HE ARG A 304 5.014 -2.742 12.867 1.00 15.00 H new ATOM 0 HH11 ARG A 304 7.273 -0.437 11.410 1.00 15.00 H new ATOM 0 HH12 ARG A 304 7.525 0.439 12.923 1.00 15.00 H new ATOM 0 HH21 ARG A 304 5.350 -1.624 14.794 1.00 15.00 H new ATOM 0 HH22 ARG A 304 6.437 -0.232 14.836 1.00 15.00 H new ATOM 417 N THR A 305 1.411 -3.951 8.192 1.00 15.00 N ATOM 418 CA THR A 305 0.632 -4.842 7.340 1.00 15.00 C ATOM 419 C THR A 305 0.778 -4.498 5.860 1.00 15.00 C ATOM 420 O THR A 305 1.010 -3.343 5.491 1.00 15.00 O ATOM 421 CB THR A 305 -0.864 -4.862 7.718 1.00 15.00 C ATOM 422 OG1 THR A 305 -1.436 -3.555 7.599 1.00 15.00 O ATOM 423 CG2 THR A 305 -1.064 -5.383 9.133 1.00 15.00 C ATOM 0 H THR A 305 1.035 -3.007 8.279 1.00 15.00 H new ATOM 0 HA THR A 305 1.043 -5.837 7.510 1.00 15.00 H new ATOM 0 HB THR A 305 -1.369 -5.534 7.024 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.956 -2.933 8.185 1.00 15.00 H new ATOM 0 HG21 THR A 305 -2.127 -5.386 9.373 1.00 15.00 H new ATOM 0 HG22 THR A 305 -0.673 -6.398 9.206 1.00 15.00 H new ATOM 0 HG23 THR A 305 -0.536 -4.739 9.836 1.00 15.00 H new ATOM 431 N THR A 306 0.660 -5.523 5.027 1.00 15.00 N ATOM 432 CA THR A 306 0.771 -5.380 3.586 1.00 15.00 C ATOM 433 C THR A 306 -0.508 -5.871 2.905 1.00 15.00 C ATOM 434 O THR A 306 -0.865 -7.047 3.000 1.00 15.00 O ATOM 435 CB THR A 306 1.987 -6.165 3.064 1.00 15.00 C ATOM 436 OG1 THR A 306 2.038 -7.455 3.691 1.00 15.00 O ATOM 437 CG2 THR A 306 3.279 -5.410 3.341 1.00 15.00 C ATOM 0 H THR A 306 0.484 -6.479 5.335 1.00 15.00 H new ATOM 0 HA THR A 306 0.910 -4.325 3.350 1.00 15.00 H new ATOM 0 HB THR A 306 1.881 -6.286 1.986 1.00 15.00 H new ATOM 0 HG1 THR A 306 1.137 -7.839 3.723 1.00 15.00 H new ATOM 0 HG21 THR A 306 4.124 -5.985 2.963 1.00 15.00 H new ATOM 0 HG22 THR A 306 3.248 -4.441 2.844 1.00 15.00 H new ATOM 0 HG23 THR A 306 3.391 -5.263 4.415 1.00 15.00 H new ATOM 445 N GLN A 307 -1.193 -4.962 2.224 1.00 15.00 N ATOM 446 CA GLN A 307 -2.520 -5.236 1.676 1.00 15.00 C ATOM 447 C GLN A 307 -2.556 -4.995 0.166 1.00 15.00 C ATOM 448 O GLN A 307 -1.968 -4.047 -0.321 1.00 15.00 O ATOM 449 CB GLN A 307 -3.545 -4.316 2.355 1.00 15.00 C ATOM 450 CG GLN A 307 -3.575 -4.430 3.872 1.00 15.00 C ATOM 451 CD GLN A 307 -3.960 -5.813 4.361 1.00 15.00 C ATOM 452 OE1 GLN A 307 -3.439 -6.193 5.516 1.00 15.00 O flip ATOM 453 NE2 GLN A 307 -4.721 -6.530 3.713 1.00 15.00 N flip ATOM 0 H GLN A 307 -0.850 -4.020 2.035 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.760 -6.282 1.865 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -3.326 -3.283 2.083 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -4.537 -4.545 1.965 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -2.593 -4.172 4.269 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -4.281 -3.701 4.271 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -5.102 -6.200 2.826 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -4.971 -7.455 4.062 1.00 15.00 H new ATOM 462 N PHE A 308 -3.249 -5.839 -0.579 1.00 15.00 N ATOM 463 CA PHE A 308 -3.474 -5.558 -1.997 1.00 15.00 C ATOM 464 C PHE A 308 -4.859 -4.966 -2.219 1.00 15.00 C ATOM 465 O PHE A 308 -5.152 -4.425 -3.288 1.00 15.00 O ATOM 466 CB PHE A 308 -3.258 -6.793 -2.876 1.00 15.00 C ATOM 467 CG PHE A 308 -1.840 -6.931 -3.364 1.00 15.00 C ATOM 468 CD1 PHE A 308 -1.098 -5.800 -3.681 1.00 15.00 C ATOM 469 CD2 PHE A 308 -1.251 -8.176 -3.525 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.199 -5.907 -4.145 1.00 15.00 C ATOM 471 CE2 PHE A 308 0.043 -8.284 -3.986 1.00 15.00 C ATOM 472 CZ PHE A 308 0.768 -7.151 -4.296 1.00 15.00 C ATOM 0 H PHE A 308 -3.660 -6.709 -0.240 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.730 -4.820 -2.299 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.530 -7.685 -2.312 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.928 -6.742 -3.734 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -1.542 -4.822 -3.563 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.811 -9.068 -3.287 1.00 15.00 H new ATOM 0 HE1 PHE A 308 0.763 -5.019 -4.388 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.492 -9.259 -4.105 1.00 15.00 H new ATOM 0 HZ PHE A 308 1.782 -7.241 -4.657 1.00 15.00 H new ATOM 482 N THR A 309 -5.708 -5.088 -1.210 1.00 15.00 N ATOM 483 CA THR A 309 -7.034 -4.496 -1.241 1.00 15.00 C ATOM 484 C THR A 309 -6.957 -3.009 -0.898 1.00 15.00 C ATOM 485 O THR A 309 -6.440 -2.636 0.157 1.00 15.00 O ATOM 486 CB THR A 309 -7.959 -5.205 -0.237 1.00 15.00 C ATOM 487 OG1 THR A 309 -7.842 -6.628 -0.392 1.00 15.00 O ATOM 488 CG2 THR A 309 -9.409 -4.785 -0.434 1.00 15.00 C ATOM 0 H THR A 309 -5.498 -5.597 -0.352 1.00 15.00 H new ATOM 0 HA THR A 309 -7.439 -4.613 -2.246 1.00 15.00 H new ATOM 0 HB THR A 309 -7.654 -4.918 0.769 1.00 15.00 H new ATOM 0 HG1 THR A 309 -8.431 -7.077 0.250 1.00 15.00 H new ATOM 0 HG21 THR A 309 -10.039 -5.302 0.290 1.00 15.00 H new ATOM 0 HG22 THR A 309 -9.499 -3.708 -0.289 1.00 15.00 H new ATOM 0 HG23 THR A 309 -9.729 -5.043 -1.444 1.00 15.00 H new ATOM 496 N ASP A 310 -7.458 -2.165 -1.791 1.00 15.00 N ATOM 497 CA ASP A 310 -7.428 -0.722 -1.574 1.00 15.00 C ATOM 498 C ASP A 310 -8.805 -0.199 -1.185 1.00 15.00 C ATOM 499 O ASP A 310 -9.792 -0.427 -1.888 1.00 15.00 O ATOM 500 CB ASP A 310 -6.925 0.007 -2.820 1.00 15.00 C ATOM 501 CG ASP A 310 -7.027 1.511 -2.676 1.00 15.00 C ATOM 502 OD1 ASP A 310 -6.255 2.096 -1.889 1.00 15.00 O ATOM 503 OD2 ASP A 310 -7.878 2.116 -3.349 1.00 15.00 O1- ATOM 0 H ASP A 310 -7.889 -2.452 -2.670 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.738 -0.527 -0.753 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -5.888 -0.270 -3.008 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -7.503 -0.314 -3.686 1.00 15.00 H new ATOM 508 N PRO A 311 -8.881 0.520 -0.055 1.00 15.00 N ATOM 509 CA PRO A 311 -10.133 1.063 0.473 1.00 15.00 C ATOM 510 C PRO A 311 -10.649 2.267 -0.313 1.00 15.00 C ATOM 511 O PRO A 311 -11.790 2.692 -0.124 1.00 15.00 O ATOM 512 CB PRO A 311 -9.771 1.469 1.901 1.00 15.00 C ATOM 513 CG PRO A 311 -8.317 1.777 1.846 1.00 15.00 C ATOM 514 CD PRO A 311 -7.733 0.854 0.808 1.00 15.00 C ATOM 0 HA PRO A 311 -10.940 0.333 0.410 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -10.348 2.335 2.225 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -9.980 0.665 2.607 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -8.150 2.820 1.578 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -7.848 1.618 2.817 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -6.937 1.340 0.244 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -7.302 -0.038 1.263 1.00 15.00 H new ATOM 522 N ARG A 312 -9.794 2.849 -1.146 1.00 15.00 N ATOM 523 CA ARG A 312 -10.150 4.054 -1.886 1.00 15.00 C ATOM 524 C ARG A 312 -10.850 3.715 -3.202 1.00 15.00 C ATOM 525 O ARG A 312 -11.441 4.590 -3.840 1.00 15.00 O ATOM 526 CB ARG A 312 -8.907 4.902 -2.160 1.00 15.00 C ATOM 527 CG ARG A 312 -8.143 5.286 -0.903 1.00 15.00 C ATOM 528 CD ARG A 312 -6.861 6.034 -1.233 1.00 15.00 C ATOM 529 NE ARG A 312 -7.117 7.310 -1.902 1.00 15.00 N ATOM 530 CZ ARG A 312 -6.408 7.769 -2.934 1.00 15.00 C ATOM 531 NH1 ARG A 312 -5.464 7.018 -3.487 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -6.677 8.961 -3.448 1.00 15.00 N ATOM 0 H ARG A 312 -8.850 2.506 -1.326 1.00 15.00 H new ATOM 0 HA ARG A 312 -10.844 4.626 -1.269 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -8.242 4.352 -2.826 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -9.205 5.809 -2.685 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -8.775 5.908 -0.269 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -7.904 4.388 -0.333 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -6.302 6.214 -0.315 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.234 5.411 -1.871 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.886 7.884 -1.557 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -5.277 6.084 -3.123 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -4.925 7.375 -4.276 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -7.427 9.529 -3.054 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -6.134 9.310 -4.237 1.00 15.00 H new ATOM 546 N LEU A 313 -10.756 2.457 -3.618 1.00 15.00 N ATOM 547 CA LEU A 313 -11.401 2.001 -4.844 1.00 15.00 C ATOM 548 C LEU A 313 -12.828 1.553 -4.566 1.00 15.00 C ATOM 549 O LEU A 313 -13.761 2.330 -4.859 1.00 15.00 O ATOM 550 CB LEU A 313 -10.613 0.852 -5.479 1.00 15.00 C ATOM 551 CG LEU A 313 -9.204 1.205 -5.955 1.00 15.00 C ATOM 552 CD1 LEU A 313 -8.520 -0.021 -6.535 1.00 15.00 C ATOM 553 CD2 LEU A 313 -9.251 2.325 -6.983 1.00 15.00 C ATOM 0 H LEU A 313 -10.237 1.732 -3.122 1.00 15.00 H new ATOM 0 HA LEU A 313 -11.423 2.839 -5.541 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -10.540 0.040 -4.755 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -11.180 0.471 -6.329 1.00 15.00 H new ATOM 0 HG LEU A 313 -8.627 1.552 -5.098 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -7.518 0.246 -6.870 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -8.453 -0.796 -5.771 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -9.098 -0.394 -7.381 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -8.238 2.562 -7.310 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -9.844 2.007 -7.841 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -9.705 3.210 -6.537 1.00 15.00 H new ATOM 566 N ASP B 221 -1.425 -9.010 -8.462 1.00 15.00 N ATOM 567 CA ASP B 221 0.041 -9.114 -8.642 1.00 15.00 C ATOM 568 C ASP B 221 0.615 -10.082 -7.611 1.00 15.00 C ATOM 569 O ASP B 221 -0.131 -10.645 -6.806 1.00 15.00 O ATOM 570 CB ASP B 221 0.701 -7.735 -8.505 1.00 15.00 C ATOM 571 CG ASP B 221 1.968 -7.613 -9.329 1.00 15.00 C ATOM 572 OD1 ASP B 221 2.985 -8.236 -8.972 1.00 15.00 O1- ATOM 573 OD2 ASP B 221 1.946 -6.897 -10.352 1.00 15.00 O ATOM 0 HA ASP B 221 0.249 -9.492 -9.643 1.00 15.00 H new ATOM 0 HB2 ASP B 221 -0.006 -6.965 -8.815 1.00 15.00 H new ATOM 0 HB3 ASP B 221 0.934 -7.550 -7.456 1.00 15.00 H new ATOM 578 N THR B 222 1.927 -10.279 -7.646 1.00 15.00 N ATOM 579 CA THR B 222 2.604 -11.206 -6.748 1.00 15.00 C ATOM 580 C THR B 222 2.481 -10.722 -5.301 1.00 15.00 C ATOM 581 O THR B 222 2.427 -9.518 -5.059 1.00 15.00 O ATOM 582 CB THR B 222 4.096 -11.363 -7.160 1.00 15.00 C ATOM 583 OG1 THR B 222 4.753 -12.363 -6.372 1.00 15.00 O ATOM 584 CG2 THR B 222 4.844 -10.045 -7.024 1.00 15.00 C ATOM 0 H THR B 222 2.551 -9.802 -8.297 1.00 15.00 H new ATOM 0 HA THR B 222 2.128 -12.184 -6.822 1.00 15.00 H new ATOM 0 HB THR B 222 4.106 -11.674 -8.205 1.00 15.00 H new ATOM 0 HG1 THR B 222 5.688 -12.440 -6.655 1.00 15.00 H new ATOM 0 HG21 THR B 222 5.884 -10.185 -7.319 1.00 15.00 H new ATOM 0 HG22 THR B 222 4.382 -9.296 -7.668 1.00 15.00 H new ATOM 0 HG23 THR B 222 4.802 -9.708 -5.988 1.00 15.00 H new ATOM 592 N PRO B 223 2.436 -11.655 -4.324 1.00 15.00 N ATOM 593 CA PRO B 223 2.158 -11.341 -2.916 1.00 15.00 C ATOM 594 C PRO B 223 2.992 -10.177 -2.379 1.00 15.00 C ATOM 595 O PRO B 223 4.177 -10.044 -2.697 1.00 15.00 O ATOM 596 CB PRO B 223 2.510 -12.638 -2.169 1.00 15.00 C ATOM 597 CG PRO B 223 3.152 -13.529 -3.180 1.00 15.00 C ATOM 598 CD PRO B 223 2.624 -13.095 -4.512 1.00 15.00 C ATOM 0 HA PRO B 223 1.124 -11.023 -2.786 1.00 15.00 H new ATOM 0 HB2 PRO B 223 3.186 -12.439 -1.338 1.00 15.00 H new ATOM 0 HB3 PRO B 223 1.617 -13.102 -1.750 1.00 15.00 H new ATOM 0 HG2 PRO B 223 4.238 -13.440 -3.144 1.00 15.00 H new ATOM 0 HG3 PRO B 223 2.911 -14.574 -2.987 1.00 15.00 H new ATOM 0 HD2 PRO B 223 3.326 -13.311 -5.317 1.00 15.00 H new ATOM 0 HD3 PRO B 223 1.689 -13.597 -4.761 1.00 15.00 H new ATOM 606 N PRO B 224 2.372 -9.355 -1.508 1.00 15.00 N ATOM 607 CA PRO B 224 2.910 -8.052 -1.100 1.00 15.00 C ATOM 608 C PRO B 224 4.332 -8.115 -0.554 1.00 15.00 C ATOM 609 O PRO B 224 4.648 -8.920 0.326 1.00 15.00 O ATOM 610 CB PRO B 224 1.939 -7.569 -0.015 1.00 15.00 C ATOM 611 CG PRO B 224 1.152 -8.769 0.383 1.00 15.00 C ATOM 612 CD PRO B 224 1.104 -9.652 -0.825 1.00 15.00 C ATOM 0 HA PRO B 224 2.983 -7.383 -1.957 1.00 15.00 H new ATOM 0 HB2 PRO B 224 2.478 -7.154 0.837 1.00 15.00 H new ATOM 0 HB3 PRO B 224 1.288 -6.782 -0.394 1.00 15.00 H new ATOM 0 HG2 PRO B 224 1.621 -9.282 1.223 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.148 -8.489 0.701 1.00 15.00 H new ATOM 0 HD2 PRO B 224 1.031 -10.705 -0.552 1.00 15.00 H new ATOM 0 HD3 PRO B 224 0.244 -9.426 -1.456 1.00 15.00 H new ATOM 620 N PRO B 225 5.202 -7.257 -1.099 1.00 15.00 N ATOM 621 CA PRO B 225 6.585 -7.101 -0.637 1.00 15.00 C ATOM 622 C PRO B 225 6.657 -6.477 0.753 1.00 15.00 C ATOM 623 O PRO B 225 5.647 -6.007 1.282 1.00 15.00 O ATOM 624 CB PRO B 225 7.200 -6.133 -1.659 1.00 15.00 C ATOM 625 CG PRO B 225 6.252 -6.092 -2.806 1.00 15.00 C ATOM 626 CD PRO B 225 4.901 -6.374 -2.232 1.00 15.00 C ATOM 0 HA PRO B 225 7.095 -8.062 -0.566 1.00 15.00 H new ATOM 0 HB2 PRO B 225 7.333 -5.141 -1.227 1.00 15.00 H new ATOM 0 HB3 PRO B 225 8.184 -6.476 -1.978 1.00 15.00 H new ATOM 0 HG2 PRO B 225 6.273 -5.118 -3.295 1.00 15.00 H new ATOM 0 HG3 PRO B 225 6.519 -6.833 -3.560 1.00 15.00 H new ATOM 0 HD2 PRO B 225 4.400 -5.461 -1.910 1.00 15.00 H new ATOM 0 HD3 PRO B 225 4.247 -6.857 -2.958 1.00 15.00 H new ATOM 634 N ALA B 226 7.856 -6.466 1.333 1.00 15.00 N ATOM 635 CA ALA B 226 8.097 -5.770 2.591 1.00 15.00 C ATOM 636 C ALA B 226 7.676 -4.310 2.470 1.00 15.00 C ATOM 637 O ALA B 226 7.707 -3.737 1.376 1.00 15.00 O ATOM 638 CB ALA B 226 9.566 -5.871 2.979 1.00 15.00 C ATOM 0 H ALA B 226 8.677 -6.934 0.948 1.00 15.00 H new ATOM 0 HA ALA B 226 7.502 -6.241 3.373 1.00 15.00 H new ATOM 0 HB1 ALA B 226 9.731 -5.347 3.920 1.00 15.00 H new ATOM 0 HB2 ALA B 226 9.840 -6.919 3.095 1.00 15.00 H new ATOM 0 HB3 ALA B 226 10.180 -5.419 2.200 1.00 15.00 H new ATOM 644 N TYR B 227 7.320 -3.692 3.583 1.00 15.00 N ATOM 645 CA TYR B 227 6.678 -2.393 3.518 1.00 15.00 C ATOM 646 C TYR B 227 7.694 -1.257 3.543 1.00 15.00 C ATOM 647 O TYR B 227 8.649 -1.244 4.327 1.00 15.00 O ATOM 648 CB TYR B 227 5.661 -2.214 4.647 1.00 15.00 C ATOM 649 CG TYR B 227 6.263 -1.732 5.949 1.00 15.00 C ATOM 650 CD1 TYR B 227 6.815 -2.613 6.865 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.286 -0.380 6.245 1.00 15.00 C ATOM 652 CE1 TYR B 227 7.373 -2.153 8.044 1.00 15.00 C ATOM 653 CE2 TYR B 227 6.839 0.089 7.416 1.00 15.00 C ATOM 654 CZ TYR B 227 7.382 -0.799 8.316 1.00 15.00 C ATOM 655 OH TYR B 227 7.926 -0.337 9.492 1.00 15.00 O ATOM 0 H TYR B 227 7.461 -4.060 4.524 1.00 15.00 H new ATOM 0 HA TYR B 227 6.149 -2.353 2.566 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.899 -1.504 4.326 1.00 15.00 H new ATOM 0 HB3 TYR B 227 5.157 -3.165 4.822 1.00 15.00 H new ATOM 0 HD1 TYR B 227 6.809 -3.673 6.656 1.00 15.00 H new ATOM 0 HD2 TYR B 227 5.861 0.322 5.543 1.00 15.00 H new ATOM 0 HE1 TYR B 227 7.800 -2.850 8.750 1.00 15.00 H new ATOM 0 HE2 TYR B 227 6.846 1.148 7.627 1.00 15.00 H new ATOM 0 HH TYR B 227 7.852 0.640 9.525 1.00 15.00 H new ATOM 665 N LEU B 228 7.459 -0.316 2.659 1.00 15.00 N ATOM 666 CA LEU B 228 8.270 0.874 2.508 1.00 15.00 C ATOM 667 C LEU B 228 7.356 2.088 2.496 1.00 15.00 C ATOM 668 O LEU B 228 6.176 1.947 2.240 1.00 15.00 O ATOM 669 CB LEU B 228 9.092 0.810 1.216 1.00 15.00 C ATOM 670 CG LEU B 228 10.093 -0.345 1.129 1.00 15.00 C ATOM 671 CD1 LEU B 228 10.734 -0.386 -0.249 1.00 15.00 C ATOM 672 CD2 LEU B 228 11.159 -0.212 2.207 1.00 15.00 C ATOM 0 H LEU B 228 6.677 -0.356 2.006 1.00 15.00 H new ATOM 0 HA LEU B 228 8.968 0.946 3.342 1.00 15.00 H new ATOM 0 HB2 LEU B 228 8.406 0.737 0.372 1.00 15.00 H new ATOM 0 HB3 LEU B 228 9.636 1.748 1.105 1.00 15.00 H new ATOM 0 HG LEU B 228 9.556 -1.280 1.291 1.00 15.00 H new ATOM 0 HD11 LEU B 228 11.443 -1.212 -0.296 1.00 15.00 H new ATOM 0 HD12 LEU B 228 9.962 -0.527 -1.005 1.00 15.00 H new ATOM 0 HD13 LEU B 228 11.257 0.552 -0.435 1.00 15.00 H new ATOM 0 HD21 LEU B 228 11.861 -1.042 2.129 1.00 15.00 H new ATOM 0 HD22 LEU B 228 11.693 0.729 2.076 1.00 15.00 H new ATOM 0 HD23 LEU B 228 10.687 -0.227 3.189 1.00 15.00 H new ATOM 684 N PRO B 229 7.858 3.297 2.744 1.00 15.00 N ATOM 685 CA PRO B 229 7.007 4.484 2.716 1.00 15.00 C ATOM 686 C PRO B 229 6.935 5.052 1.304 1.00 15.00 C ATOM 687 O PRO B 229 7.798 4.784 0.467 1.00 15.00 O ATOM 688 CB PRO B 229 7.751 5.469 3.642 1.00 15.00 C ATOM 689 CG PRO B 229 8.896 4.700 4.222 1.00 15.00 C ATOM 690 CD PRO B 229 9.191 3.596 3.250 1.00 15.00 C ATOM 0 HA PRO B 229 5.981 4.284 3.026 1.00 15.00 H new ATOM 0 HB2 PRO B 229 8.105 6.337 3.086 1.00 15.00 H new ATOM 0 HB3 PRO B 229 7.092 5.841 4.427 1.00 15.00 H new ATOM 0 HG2 PRO B 229 9.767 5.341 4.359 1.00 15.00 H new ATOM 0 HG3 PRO B 229 8.639 4.298 5.202 1.00 15.00 H new ATOM 0 HD2 PRO B 229 9.869 3.915 2.459 1.00 15.00 H new ATOM 0 HD3 PRO B 229 9.650 2.734 3.734 1.00 15.00 H new ATOM 698 N PRO B 230 5.900 5.860 1.030 1.00 15.00 N ATOM 699 CA PRO B 230 5.276 5.911 -0.286 1.00 15.00 C ATOM 700 C PRO B 230 5.876 6.913 -1.257 1.00 15.00 C ATOM 701 O PRO B 230 6.286 8.016 -0.890 1.00 15.00 O ATOM 702 CB PRO B 230 3.851 6.318 0.079 1.00 15.00 C ATOM 703 CG PRO B 230 4.004 7.228 1.252 1.00 15.00 C ATOM 704 CD PRO B 230 5.259 6.800 1.970 1.00 15.00 C ATOM 0 HA PRO B 230 5.393 4.967 -0.818 1.00 15.00 H new ATOM 0 HB2 PRO B 230 3.359 6.823 -0.752 1.00 15.00 H new ATOM 0 HB3 PRO B 230 3.243 5.449 0.329 1.00 15.00 H new ATOM 0 HG2 PRO B 230 4.078 8.267 0.929 1.00 15.00 H new ATOM 0 HG3 PRO B 230 3.138 7.159 1.911 1.00 15.00 H new ATOM 0 HD2 PRO B 230 5.905 7.651 2.188 1.00 15.00 H new ATOM 0 HD3 PRO B 230 5.031 6.321 2.922 1.00 15.00 H new ATOM 712 N GLU B 231 5.898 6.496 -2.518 1.00 15.00 N ATOM 713 CA GLU B 231 6.371 7.324 -3.607 1.00 15.00 C ATOM 714 C GLU B 231 5.315 7.359 -4.723 1.00 15.00 C ATOM 715 O GLU B 231 4.886 6.305 -5.197 1.00 15.00 O ATOM 716 CB GLU B 231 7.700 6.779 -4.151 1.00 15.00 C ATOM 717 CG GLU B 231 7.642 5.359 -4.719 1.00 15.00 C ATOM 718 CD GLU B 231 9.008 4.878 -5.150 1.00 15.00 C ATOM 719 OE1 GLU B 231 9.826 4.549 -4.267 1.00 15.00 O ATOM 720 OE2 GLU B 231 9.279 4.838 -6.362 1.00 15.00 O1- ATOM 0 H GLU B 231 5.586 5.569 -2.809 1.00 15.00 H new ATOM 0 HA GLU B 231 6.538 8.337 -3.240 1.00 15.00 H new ATOM 0 HB2 GLU B 231 8.056 7.451 -4.932 1.00 15.00 H new ATOM 0 HB3 GLU B 231 8.438 6.802 -3.349 1.00 15.00 H new ATOM 0 HG2 GLU B 231 7.237 4.682 -3.967 1.00 15.00 H new ATOM 0 HG3 GLU B 231 6.961 5.334 -5.570 1.00 15.00 H new