USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 406 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 12 SER OG : rot -170:sc= -0.374 USER MOD Set 1.2: A 36 LYS NZ :NH3+ -167:sc= 0.625 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-0.97) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0445 X(o=-0.044,f=-0.29) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.039) USER MOD Single : A 60 SER OG : rot -39:sc= 0.594 USER MOD ----------------------------------------------------------------- ATOM 89 N ILE A 10 1.003 -8.500 -13.162 1.00 0.00 N ATOM 90 CA ILE A 10 0.382 -7.533 -12.266 1.00 0.00 C ATOM 91 C ILE A 10 -0.949 -8.052 -11.734 1.00 0.00 C ATOM 92 O ILE A 10 -1.779 -8.556 -12.491 1.00 0.00 O ATOM 93 CB ILE A 10 0.150 -6.182 -12.969 1.00 0.00 C ATOM 94 CG1 ILE A 10 1.480 -5.595 -13.445 1.00 0.00 C ATOM 95 CG2 ILE A 10 -0.559 -5.214 -12.034 1.00 0.00 C ATOM 96 CD1 ILE A 10 1.904 -6.089 -14.810 1.00 0.00 C ATOM 0 HA ILE A 10 1.071 -7.387 -11.434 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.485 -6.346 -13.840 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.400 -4.508 -13.469 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.257 -5.841 -12.721 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.716 -4.264 -12.545 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.522 -5.631 -11.740 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.052 -5.052 -11.146 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.855 -5.632 -15.083 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.016 -7.173 -14.786 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.147 -5.819 -15.546 1.00 0.00 H new ATOM 108 N VAL A 11 -1.149 -7.924 -10.426 1.00 0.00 N ATOM 109 CA VAL A 11 -2.381 -8.378 -9.792 1.00 0.00 C ATOM 110 C VAL A 11 -3.055 -7.244 -9.027 1.00 0.00 C ATOM 111 O VAL A 11 -2.415 -6.548 -8.238 1.00 0.00 O ATOM 112 CB VAL A 11 -2.118 -9.549 -8.827 1.00 0.00 C ATOM 113 CG1 VAL A 11 -3.428 -10.107 -8.294 1.00 0.00 C ATOM 114 CG2 VAL A 11 -1.307 -10.636 -9.517 1.00 0.00 C ATOM 0 H VAL A 11 -0.473 -7.509 -9.784 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.041 -8.717 -10.590 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.539 -9.177 -7.982 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.222 -10.933 -7.614 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.967 -9.324 -7.760 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.036 -10.464 -9.125 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.130 -11.456 -8.821 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.857 -11.007 -10.382 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.352 -10.225 -9.844 1.00 0.00 H new ATOM 124 N SER A 12 -4.350 -7.066 -9.264 1.00 0.00 N ATOM 125 CA SER A 12 -5.111 -6.014 -8.600 1.00 0.00 C ATOM 126 C SER A 12 -5.919 -6.581 -7.436 1.00 0.00 C ATOM 127 O SER A 12 -6.618 -7.583 -7.581 1.00 0.00 O ATOM 128 CB SER A 12 -6.046 -5.325 -9.595 1.00 0.00 C ATOM 129 OG SER A 12 -5.374 -4.290 -10.293 1.00 0.00 O ATOM 0 H SER A 12 -4.895 -7.636 -9.911 1.00 0.00 H new ATOM 0 HA SER A 12 -4.405 -5.281 -8.209 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.430 -6.057 -10.305 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.905 -4.913 -9.066 1.00 0.00 H new ATOM 0 HG SER A 12 -6.024 -3.764 -10.804 1.00 0.00 H new ATOM 135 N ALA A 13 -5.815 -5.932 -6.281 1.00 0.00 N ATOM 136 CA ALA A 13 -6.536 -6.369 -5.092 1.00 0.00 C ATOM 137 C ALA A 13 -7.520 -5.302 -4.623 1.00 0.00 C ATOM 138 O ALA A 13 -7.311 -4.111 -4.850 1.00 0.00 O ATOM 139 CB ALA A 13 -5.559 -6.713 -3.978 1.00 0.00 C ATOM 0 H ALA A 13 -5.238 -5.102 -6.144 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.104 -7.262 -5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.112 -7.038 -3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.899 -7.515 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.965 -5.833 -3.730 1.00 0.00 H new ATOM 145 N GLU A 14 -8.592 -5.738 -3.969 1.00 0.00 N ATOM 146 CA GLU A 14 -9.608 -4.818 -3.471 1.00 0.00 C ATOM 147 C GLU A 14 -9.593 -4.765 -1.946 1.00 0.00 C ATOM 148 O GLU A 14 -9.823 -5.772 -1.277 1.00 0.00 O ATOM 149 CB GLU A 14 -10.995 -5.239 -3.964 1.00 0.00 C ATOM 150 CG GLU A 14 -12.133 -4.500 -3.281 1.00 0.00 C ATOM 151 CD GLU A 14 -13.485 -5.128 -3.559 1.00 0.00 C ATOM 152 OE1 GLU A 14 -13.922 -5.104 -4.729 1.00 0.00 O ATOM 153 OE2 GLU A 14 -14.107 -5.643 -2.606 1.00 0.00 O ATOM 0 H GLU A 14 -8.779 -6.721 -3.772 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.380 -3.823 -3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.056 -5.070 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.119 -6.310 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.958 -4.485 -2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.142 -3.463 -3.617 1.00 0.00 H new ATOM 160 N ALA A 15 -9.319 -3.583 -1.404 1.00 0.00 N ATOM 161 CA ALA A 15 -9.275 -3.398 0.042 1.00 0.00 C ATOM 162 C ALA A 15 -10.601 -3.788 0.686 1.00 0.00 C ATOM 163 O ALA A 15 -11.660 -3.295 0.297 1.00 0.00 O ATOM 164 CB ALA A 15 -8.926 -1.956 0.378 1.00 0.00 C ATOM 0 H ALA A 15 -9.124 -2.740 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.501 -4.051 0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.896 -1.832 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.951 -1.710 -0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.680 -1.291 -0.043 1.00 0.00 H new ATOM 170 N VAL A 16 -10.535 -4.676 1.673 1.00 0.00 N ATOM 171 CA VAL A 16 -11.731 -5.131 2.372 1.00 0.00 C ATOM 172 C VAL A 16 -11.811 -4.533 3.772 1.00 0.00 C ATOM 173 O VAL A 16 -12.888 -4.449 4.361 1.00 0.00 O ATOM 174 CB VAL A 16 -11.767 -6.667 2.479 1.00 0.00 C ATOM 175 CG1 VAL A 16 -12.051 -7.291 1.121 1.00 0.00 C ATOM 176 CG2 VAL A 16 -10.460 -7.192 3.054 1.00 0.00 C ATOM 0 H VAL A 16 -9.667 -5.094 2.006 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.587 -4.794 1.787 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.574 -6.948 3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.073 -8.377 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.015 -6.940 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.269 -7.004 0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.503 -8.279 3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.634 -6.902 2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.305 -6.772 4.048 1.00 0.00 H new ATOM 186 N TRP A 17 -10.664 -4.119 4.298 1.00 0.00 N ATOM 187 CA TRP A 17 -10.604 -3.528 5.630 1.00 0.00 C ATOM 188 C TRP A 17 -9.756 -2.261 5.626 1.00 0.00 C ATOM 189 O TRP A 17 -8.551 -2.310 5.374 1.00 0.00 O ATOM 190 CB TRP A 17 -10.035 -4.534 6.632 1.00 0.00 C ATOM 191 CG TRP A 17 -11.007 -5.609 7.012 1.00 0.00 C ATOM 192 CD1 TRP A 17 -11.644 -6.474 6.168 1.00 0.00 C ATOM 193 CD2 TRP A 17 -11.455 -5.932 8.333 1.00 0.00 C ATOM 194 NE1 TRP A 17 -12.461 -7.315 6.884 1.00 0.00 N ATOM 195 CE2 TRP A 17 -12.362 -7.004 8.215 1.00 0.00 C ATOM 196 CE3 TRP A 17 -11.177 -5.423 9.604 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -12.991 -7.571 9.320 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -11.802 -5.987 10.699 1.00 0.00 C ATOM 199 CH2 TRP A 17 -12.700 -7.052 10.552 1.00 0.00 C ATOM 0 H TRP A 17 -9.763 -4.182 3.823 1.00 0.00 H new ATOM 0 HA TRP A 17 -11.618 -3.263 5.928 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -9.143 -4.994 6.207 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -9.722 -4.003 7.531 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -11.523 -6.494 5.095 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.046 -8.051 6.489 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -10.485 -4.603 9.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -13.684 -8.392 9.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -11.595 -5.600 11.686 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -13.172 -7.472 11.428 1.00 0.00 H new ATOM 210 N ASP A 18 -10.390 -1.128 5.905 1.00 0.00 N ATOM 211 CA ASP A 18 -9.693 0.152 5.935 1.00 0.00 C ATOM 212 C ASP A 18 -8.441 0.069 6.803 1.00 0.00 C ATOM 213 O ASP A 18 -8.518 -0.235 7.994 1.00 0.00 O ATOM 214 CB ASP A 18 -10.620 1.251 6.458 1.00 0.00 C ATOM 215 CG ASP A 18 -11.595 0.738 7.499 1.00 0.00 C ATOM 216 OD1 ASP A 18 -12.411 -0.146 7.163 1.00 0.00 O ATOM 217 OD2 ASP A 18 -11.544 1.221 8.649 1.00 0.00 O ATOM 0 H ASP A 18 -11.387 -1.070 6.114 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.392 0.397 4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.021 2.053 6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.176 1.681 5.625 1.00 0.00 H new ATOM 222 N HIS A 19 -7.289 0.341 6.199 1.00 0.00 N ATOM 223 CA HIS A 19 -6.020 0.297 6.917 1.00 0.00 C ATOM 224 C HIS A 19 -5.525 1.705 7.233 1.00 0.00 C ATOM 225 O HIS A 19 -4.676 2.248 6.526 1.00 0.00 O ATOM 226 CB HIS A 19 -4.971 -0.453 6.096 1.00 0.00 C ATOM 227 CG HIS A 19 -3.621 -0.495 6.744 1.00 0.00 C ATOM 228 ND1 HIS A 19 -2.582 0.331 6.372 1.00 0.00 N ATOM 229 CD2 HIS A 19 -3.144 -1.270 7.746 1.00 0.00 C ATOM 230 CE1 HIS A 19 -1.523 0.066 7.116 1.00 0.00 C ATOM 231 NE2 HIS A 19 -1.838 -0.902 7.958 1.00 0.00 N ATOM 0 H HIS A 19 -7.208 0.594 5.214 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.181 -0.232 7.857 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.315 -1.473 5.927 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.881 0.020 5.118 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.689 -2.035 8.279 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.563 0.557 7.048 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.213 -1.310 8.653 1.00 0.00 H new ATOM 240 N VAL A 20 -6.062 2.292 8.298 1.00 0.00 N ATOM 241 CA VAL A 20 -5.675 3.636 8.707 1.00 0.00 C ATOM 242 C VAL A 20 -4.331 3.626 9.428 1.00 0.00 C ATOM 243 O VAL A 20 -3.984 2.657 10.104 1.00 0.00 O ATOM 244 CB VAL A 20 -6.734 4.270 9.628 1.00 0.00 C ATOM 245 CG1 VAL A 20 -7.975 4.647 8.833 1.00 0.00 C ATOM 246 CG2 VAL A 20 -7.087 3.323 10.765 1.00 0.00 C ATOM 0 H VAL A 20 -6.767 1.857 8.893 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.592 4.231 7.798 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.317 5.180 10.060 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.713 5.094 9.500 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.706 5.364 8.057 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.397 3.754 8.372 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.837 3.787 11.406 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.485 2.395 10.355 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.193 3.108 11.350 1.00 0.00 H new ATOM 256 N THR A 21 -3.578 4.711 9.280 1.00 0.00 N ATOM 257 CA THR A 21 -2.272 4.828 9.917 1.00 0.00 C ATOM 258 C THR A 21 -1.707 6.235 9.760 1.00 0.00 C ATOM 259 O THR A 21 -1.550 6.730 8.644 1.00 0.00 O ATOM 260 CB THR A 21 -1.269 3.816 9.330 1.00 0.00 C ATOM 261 OG1 THR A 21 0.010 3.977 9.953 1.00 0.00 O ATOM 262 CG2 THR A 21 -1.134 3.999 7.826 1.00 0.00 C ATOM 0 H THR A 21 -3.850 5.522 8.724 1.00 0.00 H new ATOM 0 HA THR A 21 -2.416 4.614 10.976 1.00 0.00 H new ATOM 0 HB THR A 21 -1.643 2.811 9.525 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.641 3.329 9.576 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.421 3.274 7.434 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.104 3.847 7.352 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.780 5.008 7.612 1.00 0.00 H new ATOM 270 N MET A 22 -1.404 6.875 10.885 1.00 0.00 N ATOM 271 CA MET A 22 -0.854 8.225 10.871 1.00 0.00 C ATOM 272 C MET A 22 0.364 8.307 9.956 1.00 0.00 C ATOM 273 O MET A 22 0.519 9.264 9.199 1.00 0.00 O ATOM 274 CB MET A 22 -0.473 8.658 12.288 1.00 0.00 C ATOM 275 CG MET A 22 0.120 10.056 12.357 1.00 0.00 C ATOM 276 SD MET A 22 0.374 10.620 14.051 1.00 0.00 S ATOM 277 CE MET A 22 -0.986 11.771 14.233 1.00 0.00 C ATOM 0 H MET A 22 -1.530 6.480 11.817 1.00 0.00 H new ATOM 0 HA MET A 22 -1.620 8.899 10.487 1.00 0.00 H new ATOM 0 HB2 MET A 22 -1.358 8.616 12.922 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.245 7.947 12.696 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.072 10.069 11.827 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.541 10.753 11.841 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.964 12.205 15.233 1.00 0.00 H new ATOM 0 HE2 MET A 22 -0.893 12.564 13.491 1.00 0.00 H new ATOM 0 HE3 MET A 22 -1.930 11.246 14.086 1.00 0.00 H new ATOM 287 N ALA A 23 1.225 7.298 10.033 1.00 0.00 N ATOM 288 CA ALA A 23 2.428 7.256 9.211 1.00 0.00 C ATOM 289 C ALA A 23 2.109 7.577 7.755 1.00 0.00 C ATOM 290 O ALA A 23 1.254 6.939 7.142 1.00 0.00 O ATOM 291 CB ALA A 23 3.094 5.892 9.320 1.00 0.00 C ATOM 0 H ALA A 23 1.112 6.499 10.656 1.00 0.00 H new ATOM 0 HA ALA A 23 3.118 8.015 9.580 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.991 5.875 8.701 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.366 5.702 10.358 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.403 5.121 8.979 1.00 0.00 H new ATOM 297 N ASN A 24 2.802 8.569 7.207 1.00 0.00 N ATOM 298 CA ASN A 24 2.591 8.976 5.822 1.00 0.00 C ATOM 299 C ASN A 24 3.236 7.982 4.860 1.00 0.00 C ATOM 300 O ASN A 24 2.605 7.531 3.904 1.00 0.00 O ATOM 301 CB ASN A 24 3.163 10.375 5.587 1.00 0.00 C ATOM 302 CG ASN A 24 3.385 10.669 4.116 1.00 0.00 C ATOM 303 OD1 ASN A 24 4.437 10.353 3.560 1.00 0.00 O ATOM 304 ND2 ASN A 24 2.392 11.278 3.478 1.00 0.00 N ATOM 0 H ASN A 24 3.515 9.106 7.700 1.00 0.00 H new ATOM 0 HA ASN A 24 1.518 8.994 5.633 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.483 11.117 6.005 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.108 10.473 6.121 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.484 11.502 2.487 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.537 11.522 3.979 1.00 0.00 H new ATOM 311 N ARG A 25 4.495 7.646 5.120 1.00 0.00 N ATOM 312 CA ARG A 25 5.225 6.707 4.277 1.00 0.00 C ATOM 313 C ARG A 25 4.335 5.538 3.869 1.00 0.00 C ATOM 314 O ARG A 25 4.356 5.101 2.719 1.00 0.00 O ATOM 315 CB ARG A 25 6.464 6.188 5.010 1.00 0.00 C ATOM 316 CG ARG A 25 6.145 5.469 6.311 1.00 0.00 C ATOM 317 CD ARG A 25 7.399 5.229 7.136 1.00 0.00 C ATOM 318 NE ARG A 25 7.857 6.445 7.803 1.00 0.00 N ATOM 319 CZ ARG A 25 9.111 6.642 8.193 1.00 0.00 C ATOM 320 NH1 ARG A 25 10.028 5.707 7.983 1.00 0.00 N ATOM 321 NH2 ARG A 25 9.451 7.775 8.793 1.00 0.00 N ATOM 0 H ARG A 25 5.031 8.010 5.908 1.00 0.00 H new ATOM 0 HA ARG A 25 5.539 7.234 3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.007 5.509 4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.129 7.026 5.221 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.435 6.060 6.890 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.664 4.516 6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.200 4.459 7.882 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.191 4.850 6.490 1.00 0.00 H new ATOM 0 HE ARG A 25 7.176 7.184 7.979 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.771 4.835 7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.991 5.860 8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.749 8.497 8.956 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.415 7.925 9.092 1.00 0.00 H new ATOM 335 N GLU A 26 3.554 5.035 4.820 1.00 0.00 N ATOM 336 CA GLU A 26 2.657 3.915 4.559 1.00 0.00 C ATOM 337 C GLU A 26 1.497 4.343 3.665 1.00 0.00 C ATOM 338 O GLU A 26 1.190 5.531 3.553 1.00 0.00 O ATOM 339 CB GLU A 26 2.119 3.346 5.873 1.00 0.00 C ATOM 340 CG GLU A 26 3.084 2.398 6.567 1.00 0.00 C ATOM 341 CD GLU A 26 2.411 1.561 7.637 1.00 0.00 C ATOM 342 OE1 GLU A 26 1.703 0.597 7.280 1.00 0.00 O ATOM 343 OE2 GLU A 26 2.593 1.872 8.834 1.00 0.00 O ATOM 0 H GLU A 26 3.524 5.385 5.778 1.00 0.00 H new ATOM 0 HA GLU A 26 3.225 3.142 4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.885 4.170 6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.185 2.820 5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.536 1.739 5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.893 2.974 7.017 1.00 0.00 H new ATOM 350 N LEU A 27 0.857 3.369 3.029 1.00 0.00 N ATOM 351 CA LEU A 27 -0.270 3.643 2.144 1.00 0.00 C ATOM 352 C LEU A 27 -1.578 3.692 2.926 1.00 0.00 C ATOM 353 O LEU A 27 -2.080 2.664 3.380 1.00 0.00 O ATOM 354 CB LEU A 27 -0.356 2.578 1.050 1.00 0.00 C ATOM 355 CG LEU A 27 -1.134 2.968 -0.208 1.00 0.00 C ATOM 356 CD1 LEU A 27 -0.355 3.989 -1.022 1.00 0.00 C ATOM 357 CD2 LEU A 27 -1.442 1.737 -1.047 1.00 0.00 C ATOM 0 H LEU A 27 1.099 2.381 3.109 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.108 4.617 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.658 2.305 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.816 1.686 1.475 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.078 3.421 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.924 4.255 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.186 4.882 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.604 3.564 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.996 2.033 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.510 1.256 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.041 1.039 -0.463 1.00 0.00 H new ATOM 369 N ALA A 28 -2.126 4.893 3.078 1.00 0.00 N ATOM 370 CA ALA A 28 -3.378 5.076 3.802 1.00 0.00 C ATOM 371 C ALA A 28 -4.573 5.015 2.856 1.00 0.00 C ATOM 372 O ALA A 28 -4.715 5.853 1.965 1.00 0.00 O ATOM 373 CB ALA A 28 -3.365 6.398 4.555 1.00 0.00 C ATOM 0 H ALA A 28 -1.722 5.754 2.709 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.475 4.263 4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.306 6.521 5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.539 6.403 5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.240 7.218 3.848 1.00 0.00 H new ATOM 379 N PHE A 29 -5.429 4.019 3.055 1.00 0.00 N ATOM 380 CA PHE A 29 -6.611 3.848 2.218 1.00 0.00 C ATOM 381 C PHE A 29 -7.796 3.356 3.044 1.00 0.00 C ATOM 382 O PHE A 29 -7.676 3.127 4.248 1.00 0.00 O ATOM 383 CB PHE A 29 -6.321 2.862 1.084 1.00 0.00 C ATOM 384 CG PHE A 29 -5.552 1.650 1.526 1.00 0.00 C ATOM 385 CD1 PHE A 29 -6.137 0.706 2.354 1.00 0.00 C ATOM 386 CD2 PHE A 29 -4.245 1.454 1.111 1.00 0.00 C ATOM 387 CE1 PHE A 29 -5.431 -0.410 2.762 1.00 0.00 C ATOM 388 CE2 PHE A 29 -3.534 0.339 1.516 1.00 0.00 C ATOM 389 CZ PHE A 29 -4.129 -0.594 2.342 1.00 0.00 C ATOM 0 H PHE A 29 -5.327 3.318 3.789 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.866 4.818 1.791 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.264 2.542 0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.759 3.374 0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.156 0.844 2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.776 2.180 0.464 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.898 -1.138 3.409 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.515 0.198 1.187 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.577 -1.466 2.659 1.00 0.00 H new ATOM 399 N LYS A 30 -8.941 3.196 2.389 1.00 0.00 N ATOM 400 CA LYS A 30 -10.148 2.731 3.060 1.00 0.00 C ATOM 401 C LYS A 30 -10.754 1.538 2.326 1.00 0.00 C ATOM 402 O LYS A 30 -10.441 1.290 1.162 1.00 0.00 O ATOM 403 CB LYS A 30 -11.175 3.863 3.150 1.00 0.00 C ATOM 404 CG LYS A 30 -10.682 5.071 3.927 1.00 0.00 C ATOM 405 CD LYS A 30 -11.754 6.142 4.032 1.00 0.00 C ATOM 406 CE LYS A 30 -11.166 7.481 4.448 1.00 0.00 C ATOM 407 NZ LYS A 30 -11.114 7.629 5.929 1.00 0.00 N ATOM 0 H LYS A 30 -9.058 3.382 1.393 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.875 2.415 4.067 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.447 4.176 2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.081 3.483 3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.376 4.762 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.800 5.484 3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.259 6.248 3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.508 5.834 4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.161 7.579 4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.764 8.288 4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.707 8.555 6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.076 7.561 6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.523 6.875 6.333 1.00 0.00 H new ATOM 421 N ALA A 31 -11.622 0.805 3.014 1.00 0.00 N ATOM 422 CA ALA A 31 -12.274 -0.359 2.426 1.00 0.00 C ATOM 423 C ALA A 31 -12.942 -0.004 1.102 1.00 0.00 C ATOM 424 O ALA A 31 -13.859 0.815 1.059 1.00 0.00 O ATOM 425 CB ALA A 31 -13.294 -0.939 3.395 1.00 0.00 C ATOM 0 H ALA A 31 -11.890 0.996 3.979 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.510 -1.110 2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.773 -1.807 2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.792 -1.239 4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.049 -0.186 3.623 1.00 0.00 H new ATOM 431 N GLY A 32 -12.475 -0.625 0.023 1.00 0.00 N ATOM 432 CA GLY A 32 -13.039 -0.360 -1.287 1.00 0.00 C ATOM 433 C GLY A 32 -12.002 0.139 -2.274 1.00 0.00 C ATOM 434 O GLY A 32 -12.034 -0.217 -3.452 1.00 0.00 O ATOM 0 H GLY A 32 -11.716 -1.307 0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.496 -1.271 -1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.834 0.380 -1.194 1.00 0.00 H new ATOM 438 N ASP A 33 -11.080 0.966 -1.794 1.00 0.00 N ATOM 439 CA ASP A 33 -10.029 1.516 -2.642 1.00 0.00 C ATOM 440 C ASP A 33 -9.246 0.401 -3.328 1.00 0.00 C ATOM 441 O ASP A 33 -8.847 -0.574 -2.691 1.00 0.00 O ATOM 442 CB ASP A 33 -9.083 2.389 -1.817 1.00 0.00 C ATOM 443 CG ASP A 33 -9.685 3.739 -1.481 1.00 0.00 C ATOM 444 OD1 ASP A 33 -10.895 3.789 -1.175 1.00 0.00 O ATOM 445 OD2 ASP A 33 -8.946 4.744 -1.522 1.00 0.00 O ATOM 0 H ASP A 33 -11.039 1.270 -0.821 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.499 2.130 -3.410 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.826 1.869 -0.894 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.155 2.536 -2.369 1.00 0.00 H new ATOM 450 N VAL A 34 -9.029 0.552 -4.631 1.00 0.00 N ATOM 451 CA VAL A 34 -8.293 -0.442 -5.403 1.00 0.00 C ATOM 452 C VAL A 34 -6.803 -0.122 -5.433 1.00 0.00 C ATOM 453 O VAL A 34 -6.396 0.942 -5.901 1.00 0.00 O ATOM 454 CB VAL A 34 -8.817 -0.530 -6.849 1.00 0.00 C ATOM 455 CG1 VAL A 34 -8.040 -1.574 -7.636 1.00 0.00 C ATOM 456 CG2 VAL A 34 -10.306 -0.842 -6.857 1.00 0.00 C ATOM 0 H VAL A 34 -9.352 1.353 -5.174 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.445 -1.402 -4.910 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.669 0.437 -7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.424 -1.622 -8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.985 -1.302 -7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.153 -2.548 -7.159 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.660 -0.901 -7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.481 -1.795 -6.358 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.846 -0.054 -6.332 1.00 0.00 H new ATOM 466 N ILE A 35 -5.994 -1.049 -4.930 1.00 0.00 N ATOM 467 CA ILE A 35 -4.548 -0.865 -4.901 1.00 0.00 C ATOM 468 C ILE A 35 -3.865 -1.712 -5.970 1.00 0.00 C ATOM 469 O ILE A 35 -4.067 -2.924 -6.040 1.00 0.00 O ATOM 470 CB ILE A 35 -3.963 -1.227 -3.523 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.490 -0.269 -2.453 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.442 -1.195 -3.569 1.00 0.00 C ATOM 473 CD1 ILE A 35 -5.852 -0.652 -1.918 1.00 0.00 C ATOM 0 H ILE A 35 -6.315 -1.934 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.359 0.190 -5.101 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.278 -2.238 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.780 -0.234 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.542 0.736 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.043 -1.453 -2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.085 -1.914 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.107 -0.195 -3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.163 0.071 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.575 -0.659 -2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.801 -1.644 -1.470 1.00 0.00 H new ATOM 485 N LYS A 36 -3.054 -1.065 -6.800 1.00 0.00 N ATOM 486 CA LYS A 36 -2.337 -1.758 -7.864 1.00 0.00 C ATOM 487 C LYS A 36 -0.968 -2.228 -7.381 1.00 0.00 C ATOM 488 O LYS A 36 -0.027 -1.440 -7.287 1.00 0.00 O ATOM 489 CB LYS A 36 -2.173 -0.840 -9.077 1.00 0.00 C ATOM 490 CG LYS A 36 -1.994 -1.589 -10.387 1.00 0.00 C ATOM 491 CD LYS A 36 -3.332 -1.916 -11.029 1.00 0.00 C ATOM 492 CE LYS A 36 -3.153 -2.498 -12.423 1.00 0.00 C ATOM 493 NZ LYS A 36 -4.324 -3.321 -12.835 1.00 0.00 N ATOM 0 H LYS A 36 -2.877 -0.061 -6.756 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.921 -2.632 -8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.048 -0.194 -9.154 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.311 -0.192 -8.918 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.398 -0.987 -11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.440 -2.511 -10.208 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.873 -2.626 -10.404 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.940 -1.013 -11.086 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.008 -1.689 -13.139 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.252 -3.111 -12.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.079 -3.874 -13.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.583 -3.967 -12.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.128 -2.698 -13.050 1.00 0.00 H new ATOM 507 N VAL A 37 -0.864 -3.518 -7.078 1.00 0.00 N ATOM 508 CA VAL A 37 0.390 -4.094 -6.608 1.00 0.00 C ATOM 509 C VAL A 37 1.446 -4.083 -7.707 1.00 0.00 C ATOM 510 O VAL A 37 1.186 -4.498 -8.837 1.00 0.00 O ATOM 511 CB VAL A 37 0.194 -5.540 -6.114 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.520 -6.139 -5.673 1.00 0.00 C ATOM 513 CG2 VAL A 37 -0.823 -5.583 -4.983 1.00 0.00 C ATOM 0 H VAL A 37 -1.633 -4.184 -7.150 1.00 0.00 H new ATOM 0 HA VAL A 37 0.729 -3.477 -5.776 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.190 -6.139 -6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.361 -7.160 -5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.214 -6.144 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.937 -5.542 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.949 -6.612 -4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.471 -4.970 -4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.779 -5.198 -5.338 1.00 0.00 H new ATOM 523 N LEU A 38 2.639 -3.607 -7.369 1.00 0.00 N ATOM 524 CA LEU A 38 3.737 -3.542 -8.327 1.00 0.00 C ATOM 525 C LEU A 38 4.761 -4.639 -8.057 1.00 0.00 C ATOM 526 O LEU A 38 5.110 -5.411 -8.951 1.00 0.00 O ATOM 527 CB LEU A 38 4.413 -2.171 -8.266 1.00 0.00 C ATOM 528 CG LEU A 38 3.492 -0.961 -8.423 1.00 0.00 C ATOM 529 CD1 LEU A 38 4.307 0.314 -8.579 1.00 0.00 C ATOM 530 CD2 LEU A 38 2.560 -1.150 -9.611 1.00 0.00 C ATOM 0 H LEU A 38 2.871 -3.260 -6.438 1.00 0.00 H new ATOM 0 HA LEU A 38 3.325 -3.693 -9.325 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.932 -2.086 -7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.173 -2.128 -9.046 1.00 0.00 H new ATOM 0 HG LEU A 38 2.885 -0.871 -7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.634 1.165 -8.690 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.931 0.457 -7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.940 0.235 -9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.912 -0.279 -9.707 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.149 -1.266 -10.521 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.950 -2.040 -9.457 1.00 0.00 H new ATOM 542 N ASP A 39 5.239 -4.704 -6.819 1.00 0.00 N ATOM 543 CA ASP A 39 6.221 -5.709 -6.430 1.00 0.00 C ATOM 544 C ASP A 39 5.733 -6.507 -5.225 1.00 0.00 C ATOM 545 O ASP A 39 5.575 -5.965 -4.131 1.00 0.00 O ATOM 546 CB ASP A 39 7.561 -5.046 -6.109 1.00 0.00 C ATOM 547 CG ASP A 39 8.715 -6.029 -6.136 1.00 0.00 C ATOM 548 OD1 ASP A 39 8.732 -6.899 -7.033 1.00 0.00 O ATOM 549 OD2 ASP A 39 9.601 -5.928 -5.262 1.00 0.00 O ATOM 0 H ASP A 39 4.962 -4.072 -6.068 1.00 0.00 H new ATOM 0 HA ASP A 39 6.355 -6.394 -7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.750 -4.249 -6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.506 -4.581 -5.125 1.00 0.00 H new ATOM 554 N ALA A 40 5.495 -7.798 -5.433 1.00 0.00 N ATOM 555 CA ALA A 40 5.026 -8.671 -4.364 1.00 0.00 C ATOM 556 C ALA A 40 6.068 -9.731 -4.024 1.00 0.00 C ATOM 557 O ALA A 40 5.741 -10.784 -3.478 1.00 0.00 O ATOM 558 CB ALA A 40 3.711 -9.328 -4.758 1.00 0.00 C ATOM 0 H ALA A 40 5.619 -8.262 -6.333 1.00 0.00 H new ATOM 0 HA ALA A 40 4.863 -8.061 -3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.372 -9.977 -3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.961 -8.559 -4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.856 -9.919 -5.662 1.00 0.00 H new ATOM 611 N ASP A 44 5.381 -10.566 3.280 1.00 0.00 N ATOM 612 CA ASP A 44 4.645 -9.791 4.271 1.00 0.00 C ATOM 613 C ASP A 44 4.464 -8.349 3.808 1.00 0.00 C ATOM 614 O ASP A 44 3.361 -7.805 3.855 1.00 0.00 O ATOM 615 CB ASP A 44 5.372 -9.820 5.616 1.00 0.00 C ATOM 616 CG ASP A 44 5.567 -11.230 6.138 1.00 0.00 C ATOM 617 OD1 ASP A 44 4.554 -11.901 6.429 1.00 0.00 O ATOM 618 OD2 ASP A 44 6.732 -11.663 6.254 1.00 0.00 O ATOM 0 HA ASP A 44 3.660 -10.242 4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.343 -9.337 5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.805 -9.241 6.345 1.00 0.00 H new ATOM 623 N TRP A 45 5.554 -7.735 3.362 1.00 0.00 N ATOM 624 CA TRP A 45 5.516 -6.355 2.891 1.00 0.00 C ATOM 625 C TRP A 45 5.182 -6.296 1.405 1.00 0.00 C ATOM 626 O TRP A 45 5.983 -6.703 0.563 1.00 0.00 O ATOM 627 CB TRP A 45 6.858 -5.668 3.152 1.00 0.00 C ATOM 628 CG TRP A 45 7.084 -5.337 4.596 1.00 0.00 C ATOM 629 CD1 TRP A 45 8.051 -5.849 5.413 1.00 0.00 C ATOM 630 CD2 TRP A 45 6.326 -4.420 5.394 1.00 0.00 C ATOM 631 NE1 TRP A 45 7.940 -5.306 6.671 1.00 0.00 N ATOM 632 CE2 TRP A 45 6.890 -4.426 6.685 1.00 0.00 C ATOM 633 CE3 TRP A 45 5.227 -3.594 5.143 1.00 0.00 C ATOM 634 CZ2 TRP A 45 6.391 -3.639 7.719 1.00 0.00 C ATOM 635 CZ3 TRP A 45 4.733 -2.813 6.170 1.00 0.00 C ATOM 636 CH2 TRP A 45 5.314 -2.839 7.445 1.00 0.00 C ATOM 0 H TRP A 45 6.475 -8.171 3.317 1.00 0.00 H new ATOM 0 HA TRP A 45 4.734 -5.831 3.441 1.00 0.00 H new ATOM 0 HB2 TRP A 45 7.663 -6.315 2.805 1.00 0.00 H new ATOM 0 HB3 TRP A 45 6.910 -4.752 2.564 1.00 0.00 H new ATOM 0 HD1 TRP A 45 8.794 -6.574 5.115 1.00 0.00 H new ATOM 0 HE1 TRP A 45 8.542 -5.523 7.465 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.772 -3.567 4.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.837 -3.659 8.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.884 -2.171 5.987 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.904 -2.216 8.226 1.00 0.00 H new ATOM 647 N TRP A 46 3.996 -5.788 1.089 1.00 0.00 N ATOM 648 CA TRP A 46 3.557 -5.676 -0.297 1.00 0.00 C ATOM 649 C TRP A 46 3.343 -4.217 -0.684 1.00 0.00 C ATOM 650 O TRP A 46 2.640 -3.479 0.007 1.00 0.00 O ATOM 651 CB TRP A 46 2.266 -6.468 -0.510 1.00 0.00 C ATOM 652 CG TRP A 46 2.503 -7.892 -0.915 1.00 0.00 C ATOM 653 CD1 TRP A 46 3.656 -8.607 -0.759 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.564 -8.771 -1.544 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.490 -9.879 -1.253 1.00 0.00 N ATOM 656 CE2 TRP A 46 2.216 -10.005 -1.739 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.237 -8.638 -1.959 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.584 -11.094 -2.332 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.389 -9.720 -2.547 1.00 0.00 C ATOM 660 CH2 TRP A 46 0.284 -10.936 -2.729 1.00 0.00 C ATOM 0 H TRP A 46 3.321 -5.447 1.774 1.00 0.00 H new ATOM 0 HA TRP A 46 4.338 -6.090 -0.934 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.682 -6.452 0.410 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.668 -5.975 -1.276 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.564 -8.229 -0.313 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.201 -10.611 -1.257 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.290 -7.706 -1.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 2.102 -12.031 -2.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.415 -9.627 -2.872 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.233 -11.764 -3.191 1.00 0.00 H new ATOM 671 N TRP A 47 3.951 -3.807 -1.791 1.00 0.00 N ATOM 672 CA TRP A 47 3.826 -2.435 -2.269 1.00 0.00 C ATOM 673 C TRP A 47 2.549 -2.257 -3.083 1.00 0.00 C ATOM 674 O TRP A 47 2.072 -3.195 -3.720 1.00 0.00 O ATOM 675 CB TRP A 47 5.042 -2.055 -3.115 1.00 0.00 C ATOM 676 CG TRP A 47 5.009 -0.636 -3.599 1.00 0.00 C ATOM 677 CD1 TRP A 47 4.390 -0.168 -4.722 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.622 0.496 -2.974 1.00 0.00 C ATOM 679 NE1 TRP A 47 4.582 1.188 -4.834 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.334 1.620 -3.774 1.00 0.00 C ATOM 681 CE3 TRP A 47 6.386 0.672 -1.817 1.00 0.00 C ATOM 682 CZ2 TRP A 47 5.784 2.897 -3.452 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.831 1.940 -1.499 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.529 3.040 -2.313 1.00 0.00 C ATOM 0 H TRP A 47 4.536 -4.405 -2.375 1.00 0.00 H new ATOM 0 HA TRP A 47 3.776 -1.777 -1.401 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.947 -2.210 -2.528 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.101 -2.723 -3.974 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.832 -0.774 -5.420 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.223 1.777 -5.585 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.624 -0.169 -1.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.553 3.745 -4.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.422 2.087 -0.607 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.891 4.019 -2.036 1.00 0.00 H new ATOM 695 N GLY A 48 2.000 -1.046 -3.058 1.00 0.00 N ATOM 696 CA GLY A 48 0.783 -0.768 -3.798 1.00 0.00 C ATOM 697 C GLY A 48 0.822 0.578 -4.493 1.00 0.00 C ATOM 698 O GLY A 48 1.436 1.522 -3.996 1.00 0.00 O ATOM 0 H GLY A 48 2.376 -0.253 -2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.625 -1.552 -4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.067 -0.797 -3.117 1.00 0.00 H new ATOM 702 N GLN A 49 0.166 0.667 -5.646 1.00 0.00 N ATOM 703 CA GLN A 49 0.131 1.908 -6.410 1.00 0.00 C ATOM 704 C GLN A 49 -1.301 2.408 -6.571 1.00 0.00 C ATOM 705 O GLN A 49 -2.127 1.758 -7.212 1.00 0.00 O ATOM 706 CB GLN A 49 0.769 1.702 -7.785 1.00 0.00 C ATOM 707 CG GLN A 49 0.832 2.970 -8.622 1.00 0.00 C ATOM 708 CD GLN A 49 1.543 2.761 -9.945 1.00 0.00 C ATOM 709 OE1 GLN A 49 2.530 3.432 -10.245 1.00 0.00 O ATOM 710 NE2 GLN A 49 1.042 1.826 -10.745 1.00 0.00 N ATOM 0 H GLN A 49 -0.348 -0.105 -6.071 1.00 0.00 H new ATOM 0 HA GLN A 49 0.699 2.659 -5.862 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.779 1.313 -7.653 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.204 0.945 -8.329 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.180 3.327 -8.810 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.345 3.749 -8.057 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.222 1.293 -10.456 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.478 1.641 -11.648 1.00 0.00 H new ATOM 719 N ILE A 50 -1.587 3.566 -5.985 1.00 0.00 N ATOM 720 CA ILE A 50 -2.919 4.153 -6.064 1.00 0.00 C ATOM 721 C ILE A 50 -2.950 5.314 -7.051 1.00 0.00 C ATOM 722 O ILE A 50 -1.928 5.949 -7.312 1.00 0.00 O ATOM 723 CB ILE A 50 -3.397 4.651 -4.687 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.505 3.482 -3.706 1.00 0.00 C ATOM 725 CG2 ILE A 50 -4.734 5.365 -4.818 1.00 0.00 C ATOM 726 CD1 ILE A 50 -3.900 3.901 -2.308 1.00 0.00 C ATOM 0 H ILE A 50 -0.914 4.116 -5.451 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.590 3.367 -6.410 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.665 5.359 -4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.237 2.768 -4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.547 2.964 -3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.059 5.711 -3.837 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.626 6.219 -5.487 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.476 4.677 -5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.957 3.021 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.156 4.591 -1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.872 4.393 -2.337 1.00 0.00 H new ATOM 738 N ASP A 51 -4.130 5.588 -7.597 1.00 0.00 N ATOM 739 CA ASP A 51 -4.296 6.675 -8.554 1.00 0.00 C ATOM 740 C ASP A 51 -3.327 7.815 -8.256 1.00 0.00 C ATOM 741 O ASP A 51 -2.583 8.256 -9.132 1.00 0.00 O ATOM 742 CB ASP A 51 -5.735 7.193 -8.526 1.00 0.00 C ATOM 743 CG ASP A 51 -6.706 6.241 -9.198 1.00 0.00 C ATOM 744 OD1 ASP A 51 -6.874 6.338 -10.432 1.00 0.00 O ATOM 745 OD2 ASP A 51 -7.296 5.399 -8.490 1.00 0.00 O ATOM 0 H ASP A 51 -4.986 5.072 -7.393 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.077 6.286 -9.548 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.042 7.350 -7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.779 8.162 -9.022 1.00 0.00 H new ATOM 750 N ASP A 52 -3.342 8.287 -7.014 1.00 0.00 N ATOM 751 CA ASP A 52 -2.464 9.376 -6.600 1.00 0.00 C ATOM 752 C ASP A 52 -1.561 8.938 -5.451 1.00 0.00 C ATOM 753 O ASP A 52 -0.385 9.297 -5.403 1.00 0.00 O ATOM 754 CB ASP A 52 -3.290 10.593 -6.180 1.00 0.00 C ATOM 755 CG ASP A 52 -2.433 11.701 -5.599 1.00 0.00 C ATOM 756 OD1 ASP A 52 -1.396 12.032 -6.211 1.00 0.00 O ATOM 757 OD2 ASP A 52 -2.800 12.238 -4.533 1.00 0.00 O ATOM 0 H ASP A 52 -3.952 7.933 -6.277 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.836 9.648 -7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.835 10.974 -7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.033 10.288 -5.443 1.00 0.00 H new ATOM 762 N GLU A 53 -2.120 8.161 -4.528 1.00 0.00 N ATOM 763 CA GLU A 53 -1.364 7.676 -3.379 1.00 0.00 C ATOM 764 C GLU A 53 -0.395 6.572 -3.792 1.00 0.00 C ATOM 765 O GLU A 53 -0.600 5.897 -4.800 1.00 0.00 O ATOM 766 CB GLU A 53 -2.314 7.158 -2.298 1.00 0.00 C ATOM 767 CG GLU A 53 -2.844 8.247 -1.380 1.00 0.00 C ATOM 768 CD GLU A 53 -3.934 9.077 -2.030 1.00 0.00 C ATOM 769 OE1 GLU A 53 -4.869 8.484 -2.607 1.00 0.00 O ATOM 770 OE2 GLU A 53 -3.852 10.322 -1.961 1.00 0.00 O ATOM 0 H GLU A 53 -3.092 7.854 -4.554 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.788 8.509 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.155 6.656 -2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.795 6.410 -1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.233 7.792 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.023 8.900 -1.084 1.00 0.00 H new ATOM 777 N GLU A 54 0.662 6.396 -3.005 1.00 0.00 N ATOM 778 CA GLU A 54 1.664 5.376 -3.290 1.00 0.00 C ATOM 779 C GLU A 54 2.429 4.997 -2.025 1.00 0.00 C ATOM 780 O GLU A 54 2.621 5.821 -1.132 1.00 0.00 O ATOM 781 CB GLU A 54 2.639 5.871 -4.360 1.00 0.00 C ATOM 782 CG GLU A 54 1.978 6.167 -5.695 1.00 0.00 C ATOM 783 CD GLU A 54 2.980 6.533 -6.774 1.00 0.00 C ATOM 784 OE1 GLU A 54 3.578 5.611 -7.366 1.00 0.00 O ATOM 785 OE2 GLU A 54 3.164 7.742 -7.025 1.00 0.00 O ATOM 0 H GLU A 54 0.846 6.946 -2.166 1.00 0.00 H new ATOM 0 HA GLU A 54 1.148 4.490 -3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.132 6.774 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.416 5.120 -4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.407 5.295 -6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.268 6.985 -5.571 1.00 0.00 H new ATOM 792 N GLY A 55 2.865 3.742 -1.957 1.00 0.00 N ATOM 793 CA GLY A 55 3.603 3.275 -0.798 1.00 0.00 C ATOM 794 C GLY A 55 3.394 1.797 -0.535 1.00 0.00 C ATOM 795 O GLY A 55 3.040 1.042 -1.441 1.00 0.00 O ATOM 0 H GLY A 55 2.720 3.041 -2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.666 3.468 -0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.295 3.844 0.079 1.00 0.00 H new ATOM 799 N TRP A 56 3.616 1.382 0.707 1.00 0.00 N ATOM 800 CA TRP A 56 3.451 -0.017 1.086 1.00 0.00 C ATOM 801 C TRP A 56 2.102 -0.243 1.760 1.00 0.00 C ATOM 802 O TRP A 56 1.381 0.708 2.062 1.00 0.00 O ATOM 803 CB TRP A 56 4.581 -0.449 2.022 1.00 0.00 C ATOM 804 CG TRP A 56 5.802 -0.929 1.296 1.00 0.00 C ATOM 805 CD1 TRP A 56 5.868 -1.949 0.389 1.00 0.00 C ATOM 806 CD2 TRP A 56 7.131 -0.411 1.418 1.00 0.00 C ATOM 807 NE1 TRP A 56 7.159 -2.095 -0.059 1.00 0.00 N ATOM 808 CE2 TRP A 56 7.952 -1.163 0.556 1.00 0.00 C ATOM 809 CE3 TRP A 56 7.706 0.617 2.170 1.00 0.00 C ATOM 810 CZ2 TRP A 56 9.317 -0.919 0.428 1.00 0.00 C ATOM 811 CZ3 TRP A 56 9.061 0.857 2.043 1.00 0.00 C ATOM 812 CH2 TRP A 56 9.854 0.093 1.176 1.00 0.00 C ATOM 0 H TRP A 56 3.910 1.994 1.468 1.00 0.00 H new ATOM 0 HA TRP A 56 3.488 -0.620 0.179 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.854 0.390 2.662 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.219 -1.243 2.675 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.030 -2.551 0.071 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.475 -2.786 -0.740 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.102 1.213 2.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 9.930 -1.508 -0.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 9.517 1.647 2.622 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.910 0.307 1.097 1.00 0.00 H new ATOM 823 N PHE A 57 1.767 -1.507 1.994 1.00 0.00 N ATOM 824 CA PHE A 57 0.504 -1.858 2.633 1.00 0.00 C ATOM 825 C PHE A 57 0.430 -3.357 2.905 1.00 0.00 C ATOM 826 O PHE A 57 1.043 -4.171 2.214 1.00 0.00 O ATOM 827 CB PHE A 57 -0.673 -1.430 1.752 1.00 0.00 C ATOM 828 CG PHE A 57 -0.896 -2.329 0.571 1.00 0.00 C ATOM 829 CD1 PHE A 57 -0.156 -2.167 -0.590 1.00 0.00 C ATOM 830 CD2 PHE A 57 -1.845 -3.338 0.621 1.00 0.00 C ATOM 831 CE1 PHE A 57 -0.360 -2.993 -1.679 1.00 0.00 C ATOM 832 CE2 PHE A 57 -2.053 -4.167 -0.465 1.00 0.00 C ATOM 833 CZ PHE A 57 -1.309 -3.995 -1.616 1.00 0.00 C ATOM 0 H PHE A 57 2.353 -2.306 1.751 1.00 0.00 H new ATOM 0 HA PHE A 57 0.448 -1.331 3.585 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.579 -1.407 2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.500 -0.414 1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.588 -1.386 -0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.429 -3.478 1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.222 -2.855 -2.578 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.797 -4.949 -0.414 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.469 -4.643 -2.465 1.00 0.00 H new ATOM 843 N PRO A 58 -0.339 -3.733 3.938 1.00 0.00 N ATOM 844 CA PRO A 58 -0.512 -5.136 4.327 1.00 0.00 C ATOM 845 C PRO A 58 -1.327 -5.924 3.307 1.00 0.00 C ATOM 846 O PRO A 58 -2.432 -5.525 2.940 1.00 0.00 O ATOM 847 CB PRO A 58 -1.265 -5.045 5.657 1.00 0.00 C ATOM 848 CG PRO A 58 -1.983 -3.741 5.598 1.00 0.00 C ATOM 849 CD PRO A 58 -1.100 -2.817 4.805 1.00 0.00 C ATOM 0 HA PRO A 58 0.441 -5.660 4.396 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.961 -5.875 5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.579 -5.081 6.503 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.957 -3.853 5.122 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.160 -3.348 6.599 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.684 -2.105 4.222 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.442 -2.236 5.452 1.00 0.00 H new ATOM 857 N ALA A 59 -0.775 -7.044 2.854 1.00 0.00 N ATOM 858 CA ALA A 59 -1.452 -7.890 1.879 1.00 0.00 C ATOM 859 C ALA A 59 -2.565 -8.700 2.533 1.00 0.00 C ATOM 860 O ALA A 59 -3.477 -9.179 1.859 1.00 0.00 O ATOM 861 CB ALA A 59 -0.453 -8.814 1.198 1.00 0.00 C ATOM 0 H ALA A 59 0.140 -7.387 3.147 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.904 -7.244 1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.972 -9.440 0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.304 -8.219 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.026 -9.446 1.946 1.00 0.00 H new ATOM 867 N SER A 60 -2.484 -8.852 3.851 1.00 0.00 N ATOM 868 CA SER A 60 -3.483 -9.609 4.597 1.00 0.00 C ATOM 869 C SER A 60 -4.708 -8.749 4.892 1.00 0.00 C ATOM 870 O SER A 60 -5.593 -9.147 5.649 1.00 0.00 O ATOM 871 CB SER A 60 -2.886 -10.131 5.905 1.00 0.00 C ATOM 872 OG SER A 60 -3.776 -11.026 6.550 1.00 0.00 O ATOM 0 H SER A 60 -1.737 -8.461 4.425 1.00 0.00 H new ATOM 0 HA SER A 60 -3.794 -10.455 3.984 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.942 -10.636 5.702 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.664 -9.294 6.567 1.00 0.00 H new ATOM 0 HG SER A 60 -4.695 -10.701 6.451 1.00 0.00 H new ATOM 878 N PHE A 61 -4.752 -7.566 4.287 1.00 0.00 N ATOM 879 CA PHE A 61 -5.867 -6.647 4.485 1.00 0.00 C ATOM 880 C PHE A 61 -6.645 -6.450 3.187 1.00 0.00 C ATOM 881 O PHE A 61 -7.636 -5.719 3.149 1.00 0.00 O ATOM 882 CB PHE A 61 -5.360 -5.299 4.999 1.00 0.00 C ATOM 883 CG PHE A 61 -5.119 -5.275 6.481 1.00 0.00 C ATOM 884 CD1 PHE A 61 -4.174 -6.109 7.057 1.00 0.00 C ATOM 885 CD2 PHE A 61 -5.836 -4.417 7.300 1.00 0.00 C ATOM 886 CE1 PHE A 61 -3.951 -6.090 8.420 1.00 0.00 C ATOM 887 CE2 PHE A 61 -5.617 -4.392 8.664 1.00 0.00 C ATOM 888 CZ PHE A 61 -4.673 -5.229 9.225 1.00 0.00 C ATOM 0 H PHE A 61 -4.029 -7.222 3.656 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.536 -7.081 5.227 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.433 -5.048 4.484 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.085 -4.526 4.744 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.605 -6.782 6.433 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.575 -3.760 6.867 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.213 -6.747 8.856 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.183 -3.719 9.290 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.499 -5.211 10.291 1.00 0.00 H new ATOM 898 N VAL A 62 -6.189 -7.105 2.125 1.00 0.00 N ATOM 899 CA VAL A 62 -6.841 -7.003 0.825 1.00 0.00 C ATOM 900 C VAL A 62 -7.225 -8.379 0.293 1.00 0.00 C ATOM 901 O VAL A 62 -6.630 -9.389 0.669 1.00 0.00 O ATOM 902 CB VAL A 62 -5.935 -6.301 -0.204 1.00 0.00 C ATOM 903 CG1 VAL A 62 -5.490 -4.942 0.315 1.00 0.00 C ATOM 904 CG2 VAL A 62 -4.734 -7.173 -0.537 1.00 0.00 C ATOM 0 H VAL A 62 -5.370 -7.713 2.139 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.743 -6.408 0.969 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.507 -6.144 -1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.851 -4.461 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.365 -4.318 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.935 -5.071 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.104 -6.662 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.160 -7.363 0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.076 -8.120 -0.954 1.00 0.00 H new ATOM 914 N ARG A 63 -8.223 -8.411 -0.585 1.00 0.00 N ATOM 915 CA ARG A 63 -8.687 -9.663 -1.169 1.00 0.00 C ATOM 916 C ARG A 63 -8.233 -9.788 -2.620 1.00 0.00 C ATOM 917 O ARG A 63 -8.655 -9.016 -3.483 1.00 0.00 O ATOM 918 CB ARG A 63 -10.212 -9.752 -1.091 1.00 0.00 C ATOM 919 CG ARG A 63 -10.724 -10.305 0.229 1.00 0.00 C ATOM 920 CD ARG A 63 -10.657 -11.824 0.261 1.00 0.00 C ATOM 921 NE ARG A 63 -11.411 -12.428 -0.834 1.00 0.00 N ATOM 922 CZ ARG A 63 -11.184 -13.652 -1.296 1.00 0.00 C ATOM 923 NH1 ARG A 63 -10.228 -14.399 -0.760 1.00 0.00 N ATOM 924 NH2 ARG A 63 -11.913 -14.132 -2.295 1.00 0.00 N ATOM 0 H ARG A 63 -8.725 -7.584 -0.907 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.252 -10.484 -0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.634 -8.759 -1.247 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.573 -10.383 -1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.134 -9.896 1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.753 -9.982 0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.616 -12.142 0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.048 -12.184 1.213 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.153 -11.879 -1.268 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.666 -14.033 0.008 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.055 -15.339 -1.116 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.649 -13.561 -2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.737 -15.072 -2.649 1.00 0.00 H new ATOM 938 N LEU A 64 -7.370 -10.763 -2.883 1.00 0.00 N ATOM 939 CA LEU A 64 -6.857 -10.989 -4.230 1.00 0.00 C ATOM 940 C LEU A 64 -7.999 -11.223 -5.215 1.00 0.00 C ATOM 941 O LEU A 64 -8.968 -11.914 -4.903 1.00 0.00 O ATOM 942 CB LEU A 64 -5.906 -12.187 -4.241 1.00 0.00 C ATOM 943 CG LEU A 64 -4.446 -11.887 -3.897 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.722 -13.160 -3.487 1.00 0.00 C ATOM 945 CD2 LEU A 64 -3.745 -11.228 -5.076 1.00 0.00 C ATOM 0 H LEU A 64 -7.011 -11.410 -2.181 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.311 -10.097 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.280 -12.929 -3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.939 -12.643 -5.230 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.426 -11.195 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.685 -12.927 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.210 -13.591 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.752 -13.876 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.707 -11.022 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.776 -11.896 -5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.249 -10.294 -5.323 1.00 0.00 H new ATOM 957 N TRP A 65 -7.875 -10.645 -6.404 1.00 0.00 N ATOM 958 CA TRP A 65 -8.895 -10.792 -7.435 1.00 0.00 C ATOM 959 C TRP A 65 -8.792 -12.155 -8.112 1.00 0.00 C ATOM 960 O TRP A 65 -9.746 -12.934 -8.108 1.00 0.00 O ATOM 961 CB TRP A 65 -8.761 -9.680 -8.477 1.00 0.00 C ATOM 962 CG TRP A 65 -9.096 -8.321 -7.941 1.00 0.00 C ATOM 963 CD1 TRP A 65 -8.973 -7.896 -6.649 1.00 0.00 C ATOM 964 CD2 TRP A 65 -9.611 -7.210 -8.684 1.00 0.00 C ATOM 965 NE1 TRP A 65 -9.380 -6.588 -6.544 1.00 0.00 N ATOM 966 CE2 TRP A 65 -9.775 -6.144 -7.778 1.00 0.00 C ATOM 967 CE3 TRP A 65 -9.947 -7.012 -10.026 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -10.262 -4.901 -8.173 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -10.430 -5.777 -10.416 1.00 0.00 C ATOM 970 CH2 TRP A 65 -10.583 -4.735 -9.493 1.00 0.00 C ATOM 0 H TRP A 65 -7.078 -10.070 -6.678 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.872 -10.717 -6.958 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.740 -9.671 -8.859 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.415 -9.901 -9.321 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.609 -8.499 -5.830 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -9.387 -6.037 -5.686 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -9.831 -7.809 -10.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.382 -4.096 -7.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -10.694 -5.613 -11.450 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.962 -3.781 -9.830 1.00 0.00 H new