USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 443 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 54 THR OG1 : rot 150:sc= 0.308 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.317 X(o=0.62,f=0.48) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.718 K(o=0.72,f=-4.6!) USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 33 HIS : no HD1:sc= 1.18 K(o=2.6,f=-6.1!) USER MOD Set 3.2: A 35 SER OG : rot -95:sc= 1.37 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 171:sc= 0 (180deg=-0.0829) USER MOD Single : A 6 THR OG1 : rot 93:sc= 0.828 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc=-0.00102 K(o=-0.001,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -58:sc= 0.307 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.097 X(o=-0.097,f=-0.14) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 1.85 (180deg=1.84) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00586 USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 4 1.993 -6.454 7.180 1.00 49.53 N ATOM 37 CA LYS A 4 2.470 -5.265 6.482 1.00 50.07 C ATOM 38 C LYS A 4 2.825 -5.584 5.035 1.00 50.51 C ATOM 39 O LYS A 4 3.130 -6.726 4.696 1.00 49.49 O ATOM 40 CB LYS A 4 3.682 -4.672 7.203 1.00 49.82 C ATOM 41 CG LYS A 4 3.377 -4.108 8.584 1.00 49.82 C ATOM 42 CD LYS A 4 4.633 -3.562 9.248 1.00 49.82 C ATOM 43 CE LYS A 4 4.325 -2.969 10.615 1.00 50.21 C ATOM 44 NZ LYS A 4 5.544 -2.435 11.278 1.00 49.70 N ATOM 0 HA LYS A 4 1.665 -4.531 6.482 1.00 50.07 H new ATOM 0 HB2 LYS A 4 4.446 -5.444 7.299 1.00 49.82 H new ATOM 0 HB3 LYS A 4 4.105 -3.880 6.585 1.00 49.82 H new ATOM 0 HG2 LYS A 4 2.634 -3.315 8.499 1.00 49.82 H new ATOM 0 HG3 LYS A 4 2.942 -4.887 9.210 1.00 49.82 H new ATOM 0 HD2 LYS A 4 5.367 -4.361 9.353 1.00 49.82 H new ATOM 0 HD3 LYS A 4 5.081 -2.799 8.611 1.00 49.82 H new ATOM 0 HE2 LYS A 4 3.592 -2.170 10.507 1.00 50.21 H new ATOM 0 HE3 LYS A 4 3.873 -3.733 11.248 1.00 50.21 H new ATOM 0 HZ1 LYS A 4 5.290 -2.041 12.206 1.00 49.70 H new ATOM 0 HZ2 LYS A 4 6.234 -3.202 11.405 1.00 49.70 H new ATOM 0 HZ3 LYS A 4 5.962 -1.688 10.687 1.00 49.70 H new ATOM 58 N MET A 5 2.784 -4.563 4.185 1.00 49.53 N ATOM 59 CA MET A 5 3.046 -4.742 2.761 1.00 50.07 C ATOM 60 C MET A 5 3.535 -3.447 2.124 1.00 50.51 C ATOM 61 O MET A 5 2.939 -2.387 2.315 1.00 49.49 O ATOM 62 CB MET A 5 1.788 -5.237 2.052 1.00 49.82 C ATOM 63 CG MET A 5 1.946 -5.433 0.550 1.00 49.86 C ATOM 64 SD MET A 5 3.129 -6.732 0.138 1.00 49.91 S ATOM 65 CE MET A 5 2.168 -8.194 0.518 1.00 49.78 C ATOM 0 H MET A 5 2.572 -3.603 4.457 1.00 49.53 H new ATOM 0 HA MET A 5 3.833 -5.489 2.653 1.00 50.07 H new ATOM 0 HB2 MET A 5 1.483 -6.183 2.499 1.00 49.82 H new ATOM 0 HB3 MET A 5 0.982 -4.525 2.230 1.00 49.82 H new ATOM 0 HG2 MET A 5 0.977 -5.679 0.116 1.00 49.86 H new ATOM 0 HG3 MET A 5 2.270 -4.496 0.097 1.00 49.86 H new ATOM 0 HE1 MET A 5 2.698 -9.079 0.167 1.00 49.78 H new ATOM 0 HE2 MET A 5 2.020 -8.262 1.596 1.00 49.78 H new ATOM 0 HE3 MET A 5 1.199 -8.132 0.022 1.00 49.78 H new ATOM 75 N THR A 6 4.623 -3.541 1.367 1.00 49.53 N ATOM 76 CA THR A 6 5.109 -2.413 0.582 1.00 50.07 C ATOM 77 C THR A 6 5.061 -2.717 -0.910 1.00 50.51 C ATOM 78 O THR A 6 5.153 -3.873 -1.320 1.00 49.49 O ATOM 79 CB THR A 6 6.550 -2.032 0.972 1.00 50.14 C ATOM 80 OG1 THR A 6 7.433 -3.118 0.664 1.00 49.34 O ATOM 81 CG2 THR A 6 6.636 -1.720 2.458 1.00 49.73 C ATOM 0 H THR A 6 5.185 -4.388 1.281 1.00 49.53 H new ATOM 0 HA THR A 6 4.449 -1.573 0.799 1.00 50.07 H new ATOM 0 HB THR A 6 6.841 -1.146 0.408 1.00 50.14 H new ATOM 0 HG1 THR A 6 7.803 -2.994 -0.235 1.00 49.34 H new ATOM 0 HG21 THR A 6 7.661 -1.453 2.715 1.00 49.73 H new ATOM 0 HG22 THR A 6 5.974 -0.887 2.694 1.00 49.73 H new ATOM 0 HG23 THR A 6 6.335 -2.596 3.032 1.00 49.73 H new ATOM 89 N GLY A 7 4.917 -1.672 -1.717 1.00 49.53 N ATOM 90 CA GLY A 7 4.796 -1.830 -3.162 1.00 49.98 C ATOM 91 C GLY A 7 4.824 -0.481 -3.869 1.00 50.51 C ATOM 92 O GLY A 7 5.104 0.548 -3.253 1.00 49.49 O ATOM 0 H GLY A 7 4.881 -0.705 -1.395 1.00 49.53 H new ATOM 0 HA2 GLY A 7 5.610 -2.454 -3.531 1.00 49.98 H new ATOM 0 HA3 GLY A 7 3.866 -2.347 -3.397 1.00 49.98 H new ATOM 96 N ILE A 8 4.530 -0.491 -5.164 1.00 49.53 N ATOM 97 CA ILE A 8 4.533 0.729 -5.961 1.00 50.07 C ATOM 98 C ILE A 8 3.154 1.015 -6.538 1.00 50.51 C ATOM 99 O ILE A 8 2.521 0.135 -7.124 1.00 49.49 O ATOM 100 CB ILE A 8 5.556 0.652 -7.110 1.00 49.91 C ATOM 101 CG1 ILE A 8 6.971 0.471 -6.554 1.00 49.82 C ATOM 102 CG2 ILE A 8 5.477 1.898 -7.977 1.00 49.73 C ATOM 103 CD1 ILE A 8 8.006 0.156 -7.609 1.00 49.73 C ATOM 0 H ILE A 8 4.286 -1.333 -5.685 1.00 49.53 H new ATOM 0 HA ILE A 8 4.816 1.540 -5.290 1.00 50.07 H new ATOM 0 HB ILE A 8 5.317 -0.212 -7.730 1.00 49.91 H new ATOM 0 HG12 ILE A 8 7.265 1.381 -6.031 1.00 49.82 H new ATOM 0 HG13 ILE A 8 6.962 -0.332 -5.817 1.00 49.82 H new ATOM 0 HG21 ILE A 8 6.207 1.827 -8.784 1.00 49.73 H new ATOM 0 HG22 ILE A 8 4.476 1.984 -8.400 1.00 49.73 H new ATOM 0 HG23 ILE A 8 5.692 2.778 -7.370 1.00 49.73 H new ATOM 0 HD11 ILE A 8 8.982 0.042 -7.138 1.00 49.73 H new ATOM 0 HD12 ILE A 8 7.738 -0.770 -8.117 1.00 49.73 H new ATOM 0 HD13 ILE A 8 8.046 0.969 -8.334 1.00 49.73 H new ATOM 115 N VAL A 9 2.691 2.248 -6.371 1.00 49.53 N ATOM 116 CA VAL A 9 1.393 2.657 -6.894 1.00 50.07 C ATOM 117 C VAL A 9 1.378 2.617 -8.418 1.00 50.51 C ATOM 118 O VAL A 9 2.177 3.285 -9.073 1.00 49.49 O ATOM 119 CB VAL A 9 1.014 4.074 -6.423 1.00 49.91 C ATOM 120 CG1 VAL A 9 -0.360 4.462 -6.950 1.00 49.73 C ATOM 121 CG2 VAL A 9 1.043 4.157 -4.905 1.00 49.73 C ATOM 0 H VAL A 9 3.196 2.983 -5.877 1.00 49.53 H new ATOM 0 HA VAL A 9 0.660 1.949 -6.507 1.00 50.07 H new ATOM 0 HB VAL A 9 1.747 4.776 -6.821 1.00 49.91 H new ATOM 0 HG11 VAL A 9 -0.611 5.466 -6.607 1.00 49.73 H new ATOM 0 HG12 VAL A 9 -0.351 4.442 -8.040 1.00 49.73 H new ATOM 0 HG13 VAL A 9 -1.104 3.756 -6.581 1.00 49.73 H new ATOM 0 HG21 VAL A 9 0.773 5.165 -4.590 1.00 49.73 H new ATOM 0 HG22 VAL A 9 0.332 3.444 -4.488 1.00 49.73 H new ATOM 0 HG23 VAL A 9 2.045 3.922 -4.547 1.00 49.73 H new ATOM 131 N LYS A 10 0.461 1.832 -8.974 1.00 49.53 N ATOM 132 CA LYS A 10 0.375 1.662 -10.420 1.00 50.07 C ATOM 133 C LYS A 10 -0.550 2.700 -11.042 1.00 50.51 C ATOM 134 O LYS A 10 -0.268 3.233 -12.115 1.00 49.49 O ATOM 135 CB LYS A 10 -0.109 0.252 -10.765 1.00 49.82 C ATOM 136 CG LYS A 10 0.937 -0.837 -10.570 1.00 49.82 C ATOM 137 CD LYS A 10 2.148 -0.607 -11.461 1.00 49.82 C ATOM 138 CE LYS A 10 3.207 -1.678 -11.244 1.00 50.21 C ATOM 139 NZ LYS A 10 4.386 -1.483 -12.131 1.00 49.70 N ATOM 0 H LYS A 10 -0.233 1.304 -8.445 1.00 49.53 H new ATOM 0 HA LYS A 10 1.374 1.805 -10.833 1.00 50.07 H new ATOM 0 HB2 LYS A 10 -0.978 0.019 -10.150 1.00 49.82 H new ATOM 0 HB3 LYS A 10 -0.441 0.239 -11.803 1.00 49.82 H new ATOM 0 HG2 LYS A 10 1.250 -0.860 -9.526 1.00 49.82 H new ATOM 0 HG3 LYS A 10 0.498 -1.810 -10.793 1.00 49.82 H new ATOM 0 HD2 LYS A 10 1.838 -0.606 -12.506 1.00 49.82 H new ATOM 0 HD3 LYS A 10 2.573 0.375 -11.254 1.00 49.82 H new ATOM 0 HE2 LYS A 10 3.530 -1.663 -10.203 1.00 50.21 H new ATOM 0 HE3 LYS A 10 2.773 -2.660 -11.429 1.00 50.21 H new ATOM 0 HZ1 LYS A 10 5.083 -2.233 -11.951 1.00 49.70 H new ATOM 0 HZ2 LYS A 10 4.083 -1.523 -13.125 1.00 49.70 H new ATOM 0 HZ3 LYS A 10 4.817 -0.556 -11.937 1.00 49.70 H new ATOM 153 N TRP A 11 -1.656 2.983 -10.361 1.00 49.53 N ATOM 154 CA TRP A 11 -2.515 4.104 -10.727 1.00 50.07 C ATOM 155 C TRP A 11 -3.478 4.450 -9.599 1.00 50.51 C ATOM 156 O TRP A 11 -3.773 3.616 -8.743 1.00 49.49 O ATOM 157 CB TRP A 11 -3.295 3.783 -12.004 1.00 49.82 C ATOM 158 CG TRP A 11 -4.297 2.682 -11.831 1.00 49.97 C ATOM 159 CD1 TRP A 11 -5.574 2.806 -11.370 1.00 50.03 C ATOM 160 CD2 TRP A 11 -4.107 1.292 -12.118 1.00 49.98 C ATOM 161 NE1 TRP A 11 -6.191 1.581 -11.350 1.00 49.39 N ATOM 162 CE2 TRP A 11 -5.310 0.633 -11.807 1.00 50.13 C ATOM 163 CE3 TRP A 11 -3.033 0.539 -12.611 1.00 49.88 C ATOM 164 CZ2 TRP A 11 -5.472 -0.734 -11.968 1.00 49.88 C ATOM 165 CZ3 TRP A 11 -3.198 -0.831 -12.773 1.00 49.88 C ATOM 166 CH2 TRP A 11 -4.382 -1.449 -12.461 1.00 49.88 C ATOM 0 H TRP A 11 -1.979 2.451 -9.552 1.00 49.53 H new ATOM 0 HA TRP A 11 -1.877 4.969 -10.908 1.00 50.07 H new ATOM 0 HB2 TRP A 11 -3.810 4.682 -12.342 1.00 49.82 H new ATOM 0 HB3 TRP A 11 -2.592 3.504 -12.789 1.00 49.82 H new ATOM 0 HD1 TRP A 11 -6.033 3.734 -11.065 1.00 50.03 H new ATOM 0 HE1 TRP A 11 -7.148 1.404 -11.045 1.00 49.39 H new ATOM 0 HE3 TRP A 11 -2.096 1.014 -12.860 1.00 49.88 H new ATOM 0 HZ2 TRP A 11 -6.403 -1.224 -11.722 1.00 49.88 H new ATOM 0 HZ3 TRP A 11 -2.377 -1.421 -13.152 1.00 49.88 H new ATOM 0 HH2 TRP A 11 -4.472 -2.516 -12.601 1.00 49.88 H new ATOM 177 N PHE A 12 -3.966 5.685 -9.604 1.00 49.53 N ATOM 178 CA PHE A 12 -4.901 6.144 -8.581 1.00 50.07 C ATOM 179 C PHE A 12 -5.883 7.160 -9.151 1.00 50.51 C ATOM 180 O PHE A 12 -5.502 8.277 -9.503 1.00 49.49 O ATOM 181 CB PHE A 12 -4.145 6.747 -7.398 1.00 49.82 C ATOM 182 CG PHE A 12 -4.985 6.915 -6.164 1.00 50.00 C ATOM 183 CD1 PHE A 12 -5.782 8.038 -5.997 1.00 49.88 C ATOM 184 CD2 PHE A 12 -4.981 5.950 -5.168 1.00 49.88 C ATOM 185 CE1 PHE A 12 -6.555 8.194 -4.862 1.00 49.88 C ATOM 186 CE2 PHE A 12 -5.754 6.102 -4.033 1.00 49.88 C ATOM 187 CZ PHE A 12 -6.541 7.226 -3.879 1.00 49.88 C ATOM 0 H PHE A 12 -3.730 6.388 -10.305 1.00 49.53 H new ATOM 0 HA PHE A 12 -5.468 5.280 -8.234 1.00 50.07 H new ATOM 0 HB2 PHE A 12 -3.292 6.111 -7.162 1.00 49.82 H new ATOM 0 HB3 PHE A 12 -3.747 7.719 -7.690 1.00 49.82 H new ATOM 0 HD1 PHE A 12 -5.799 8.799 -6.763 1.00 49.88 H new ATOM 0 HD2 PHE A 12 -4.366 5.069 -5.281 1.00 49.88 H new ATOM 0 HE1 PHE A 12 -7.170 9.074 -4.745 1.00 49.88 H new ATOM 0 HE2 PHE A 12 -5.743 5.342 -3.266 1.00 49.88 H new ATOM 0 HZ PHE A 12 -7.144 7.347 -2.991 1.00 49.88 H new ATOM 197 N ASN A 13 -7.149 6.767 -9.240 1.00 49.53 N ATOM 198 CA ASN A 13 -8.197 7.660 -9.720 1.00 50.07 C ATOM 199 C ASN A 13 -8.770 8.498 -8.583 1.00 50.51 C ATOM 200 O ASN A 13 -9.771 8.127 -7.970 1.00 49.49 O ATOM 201 CB ASN A 13 -9.305 6.892 -10.416 1.00 49.82 C ATOM 202 CG ASN A 13 -8.891 6.287 -11.728 1.00 50.55 C ATOM 203 OD1 ASN A 13 -7.964 6.767 -12.391 1.00 49.45 O ATOM 204 ND2 ASN A 13 -9.624 5.287 -12.146 1.00 49.38 N ATOM 0 H ASN A 13 -7.475 5.834 -8.986 1.00 49.53 H new ATOM 0 HA ASN A 13 -7.740 8.331 -10.447 1.00 50.07 H new ATOM 0 HB2 ASN A 13 -9.655 6.099 -9.755 1.00 49.82 H new ATOM 0 HB3 ASN A 13 -10.148 7.562 -10.585 1.00 49.82 H new ATOM 0 HD21 ASN A 13 -9.442 4.867 -13.057 1.00 49.38 H new ATOM 0 HD22 ASN A 13 -10.378 4.927 -11.560 1.00 49.38 H new ATOM 211 N ALA A 14 -8.130 9.629 -8.308 1.00 49.53 N ATOM 212 CA ALA A 14 -8.553 10.506 -7.224 1.00 50.07 C ATOM 213 C ALA A 14 -9.977 11.002 -7.443 1.00 50.51 C ATOM 214 O ALA A 14 -10.673 11.359 -6.492 1.00 49.49 O ATOM 215 CB ALA A 14 -7.596 11.678 -7.083 1.00 49.73 C ATOM 0 H ALA A 14 -7.314 9.960 -8.823 1.00 49.53 H new ATOM 0 HA ALA A 14 -8.536 9.930 -6.299 1.00 50.07 H new ATOM 0 HB1 ALA A 14 -7.927 12.322 -6.269 1.00 49.73 H new ATOM 0 HB2 ALA A 14 -6.595 11.306 -6.867 1.00 49.73 H new ATOM 0 HB3 ALA A 14 -7.579 12.247 -8.012 1.00 49.73 H new ATOM 221 N ASP A 15 -10.405 11.023 -8.700 1.00 49.53 N ATOM 222 CA ASP A 15 -11.761 11.436 -9.041 1.00 50.07 C ATOM 223 C ASP A 15 -12.794 10.548 -8.358 1.00 50.51 C ATOM 224 O ASP A 15 -13.904 10.989 -8.059 1.00 49.49 O ATOM 225 CB ASP A 15 -11.965 11.407 -10.558 1.00 49.72 C ATOM 226 CG ASP A 15 -11.262 12.531 -11.308 1.00 50.62 C ATOM 227 OD1 ASP A 15 -10.818 13.457 -10.671 1.00 49.24 O ATOM 228 OD2 ASP A 15 -11.036 12.382 -12.485 1.00 49.24 O ATOM 0 H ASP A 15 -9.832 10.758 -9.501 1.00 49.53 H new ATOM 0 HA ASP A 15 -11.898 12.457 -8.685 1.00 50.07 H new ATOM 0 HB2 ASP A 15 -11.608 10.451 -10.942 1.00 49.72 H new ATOM 0 HB3 ASP A 15 -13.033 11.457 -10.770 1.00 49.72 H new ATOM 233 N LYS A 16 -12.424 9.296 -8.116 1.00 49.53 N ATOM 234 CA LYS A 16 -13.310 8.349 -7.448 1.00 50.07 C ATOM 235 C LYS A 16 -12.761 7.950 -6.084 1.00 50.51 C ATOM 236 O LYS A 16 -13.480 7.389 -5.257 1.00 49.49 O ATOM 237 CB LYS A 16 -13.520 7.108 -8.317 1.00 49.82 C ATOM 238 CG LYS A 16 -14.211 7.380 -9.646 1.00 49.82 C ATOM 239 CD LYS A 16 -14.393 6.099 -10.447 1.00 49.82 C ATOM 240 CE LYS A 16 -15.061 6.373 -11.786 1.00 50.21 C ATOM 241 NZ LYS A 16 -15.194 5.137 -12.605 1.00 49.70 N ATOM 0 H LYS A 16 -11.515 8.912 -8.373 1.00 49.53 H new ATOM 0 HA LYS A 16 -14.271 8.840 -7.297 1.00 50.07 H new ATOM 0 HB2 LYS A 16 -12.551 6.648 -8.513 1.00 49.82 H new ATOM 0 HB3 LYS A 16 -14.110 6.383 -7.757 1.00 49.82 H new ATOM 0 HG2 LYS A 16 -15.183 7.840 -9.466 1.00 49.82 H new ATOM 0 HG3 LYS A 16 -13.623 8.093 -10.225 1.00 49.82 H new ATOM 0 HD2 LYS A 16 -13.423 5.630 -10.612 1.00 49.82 H new ATOM 0 HD3 LYS A 16 -14.996 5.393 -9.876 1.00 49.82 H new ATOM 0 HE2 LYS A 16 -16.048 6.804 -11.618 1.00 50.21 H new ATOM 0 HE3 LYS A 16 -14.480 7.112 -12.337 1.00 50.21 H new ATOM 0 HZ1 LYS A 16 -15.654 5.367 -13.509 1.00 49.70 H new ATOM 0 HZ2 LYS A 16 -14.251 4.739 -12.788 1.00 49.70 H new ATOM 0 HZ3 LYS A 16 -15.770 4.440 -12.091 1.00 49.70 H new ATOM 255 N GLY A 17 -11.485 8.240 -5.857 1.00 49.53 N ATOM 256 CA GLY A 17 -10.817 7.839 -4.625 1.00 49.98 C ATOM 257 C GLY A 17 -10.274 6.419 -4.730 1.00 50.51 C ATOM 258 O GLY A 17 -9.978 5.782 -3.719 1.00 49.49 O ATOM 0 H GLY A 17 -10.892 8.752 -6.511 1.00 49.53 H new ATOM 0 HA2 GLY A 17 -10.001 8.528 -4.410 1.00 49.98 H new ATOM 0 HA3 GLY A 17 -11.516 7.903 -3.791 1.00 49.98 H new ATOM 262 N PHE A 18 -10.145 5.930 -5.958 1.00 49.53 N ATOM 263 CA PHE A 18 -9.756 4.545 -6.193 1.00 50.07 C ATOM 264 C PHE A 18 -8.316 4.453 -6.687 1.00 50.51 C ATOM 265 O PHE A 18 -7.723 5.454 -7.088 1.00 49.49 O ATOM 266 CB PHE A 18 -10.700 3.888 -7.203 1.00 49.82 C ATOM 267 CG PHE A 18 -12.129 3.829 -6.745 1.00 50.00 C ATOM 268 CD1 PHE A 18 -12.448 3.949 -5.401 1.00 49.88 C ATOM 269 CD2 PHE A 18 -13.158 3.653 -7.658 1.00 49.88 C ATOM 270 CE1 PHE A 18 -13.764 3.896 -4.979 1.00 49.88 C ATOM 271 CE2 PHE A 18 -14.473 3.600 -7.239 1.00 49.88 C ATOM 272 CZ PHE A 18 -14.777 3.720 -5.898 1.00 49.88 C ATOM 0 H PHE A 18 -10.304 6.473 -6.807 1.00 49.53 H new ATOM 0 HA PHE A 18 -9.826 4.014 -5.244 1.00 50.07 H new ATOM 0 HB2 PHE A 18 -10.652 4.438 -8.143 1.00 49.82 H new ATOM 0 HB3 PHE A 18 -10.351 2.876 -7.407 1.00 49.82 H new ATOM 0 HD1 PHE A 18 -11.660 4.085 -4.675 1.00 49.88 H new ATOM 0 HD2 PHE A 18 -12.928 3.556 -8.709 1.00 49.88 H new ATOM 0 HE1 PHE A 18 -13.998 3.993 -3.929 1.00 49.88 H new ATOM 0 HE2 PHE A 18 -15.264 3.465 -7.961 1.00 49.88 H new ATOM 0 HZ PHE A 18 -15.805 3.676 -5.570 1.00 49.88 H new ATOM 282 N GLY A 19 -7.761 3.246 -6.654 1.00 49.53 N ATOM 283 CA GLY A 19 -6.421 3.006 -7.176 1.00 49.98 C ATOM 284 C GLY A 19 -5.933 1.608 -6.816 1.00 50.51 C ATOM 285 O GLY A 19 -6.543 0.918 -6.000 1.00 49.49 O ATOM 0 H GLY A 19 -8.219 2.419 -6.271 1.00 49.53 H new ATOM 0 HA2 GLY A 19 -6.423 3.126 -8.259 1.00 49.98 H new ATOM 0 HA3 GLY A 19 -5.733 3.749 -6.774 1.00 49.98 H new ATOM 289 N PHE A 20 -4.828 1.197 -7.428 1.00 49.53 N ATOM 290 CA PHE A 20 -4.260 -0.122 -7.180 1.00 50.07 C ATOM 291 C PHE A 20 -2.755 -0.042 -6.962 1.00 50.51 C ATOM 292 O PHE A 20 -2.059 0.715 -7.638 1.00 49.49 O ATOM 293 CB PHE A 20 -4.574 -1.066 -8.343 1.00 49.82 C ATOM 294 CG PHE A 20 -5.976 -1.604 -8.325 1.00 50.00 C ATOM 295 CD1 PHE A 20 -7.008 -0.911 -8.938 1.00 49.88 C ATOM 296 CD2 PHE A 20 -6.265 -2.804 -7.692 1.00 49.88 C ATOM 297 CE1 PHE A 20 -8.298 -1.406 -8.922 1.00 49.88 C ATOM 298 CE2 PHE A 20 -7.554 -3.302 -7.675 1.00 49.88 C ATOM 299 CZ PHE A 20 -8.572 -2.601 -8.292 1.00 49.88 C ATOM 0 H PHE A 20 -4.307 1.760 -8.101 1.00 49.53 H new ATOM 0 HA PHE A 20 -4.714 -0.516 -6.271 1.00 50.07 H new ATOM 0 HB2 PHE A 20 -4.409 -0.538 -9.282 1.00 49.82 H new ATOM 0 HB3 PHE A 20 -3.874 -1.901 -8.320 1.00 49.82 H new ATOM 0 HD1 PHE A 20 -6.802 0.026 -9.434 1.00 49.88 H new ATOM 0 HD2 PHE A 20 -5.473 -3.356 -7.207 1.00 49.88 H new ATOM 0 HE1 PHE A 20 -9.093 -0.856 -9.404 1.00 49.88 H new ATOM 0 HE2 PHE A 20 -7.765 -4.238 -7.180 1.00 49.88 H new ATOM 0 HZ PHE A 20 -9.580 -2.988 -8.281 1.00 49.88 H new ATOM 309 N ILE A 21 -2.257 -0.828 -6.013 1.00 49.53 N ATOM 310 CA ILE A 21 -0.831 -0.856 -5.711 1.00 50.07 C ATOM 311 C ILE A 21 -0.250 -2.247 -5.921 1.00 50.51 C ATOM 312 O ILE A 21 -0.794 -3.238 -5.433 1.00 49.49 O ATOM 313 CB ILE A 21 -0.552 -0.405 -4.265 1.00 49.91 C ATOM 314 CG1 ILE A 21 -1.086 1.010 -4.034 1.00 49.82 C ATOM 315 CG2 ILE A 21 0.939 -0.469 -3.968 1.00 49.73 C ATOM 316 CD1 ILE A 21 -1.150 1.408 -2.576 1.00 49.73 C ATOM 0 H ILE A 21 -2.821 -1.455 -5.439 1.00 49.53 H new ATOM 0 HA ILE A 21 -0.350 -0.159 -6.398 1.00 50.07 H new ATOM 0 HB ILE A 21 -1.068 -1.082 -3.585 1.00 49.91 H new ATOM 0 HG12 ILE A 21 -0.452 1.719 -4.567 1.00 49.82 H new ATOM 0 HG13 ILE A 21 -2.084 1.087 -4.466 1.00 49.82 H new ATOM 0 HG21 ILE A 21 1.120 -0.147 -2.942 1.00 49.73 H new ATOM 0 HG22 ILE A 21 1.292 -1.493 -4.095 1.00 49.73 H new ATOM 0 HG23 ILE A 21 1.475 0.187 -4.654 1.00 49.73 H new ATOM 0 HD11 ILE A 21 -1.538 2.423 -2.493 1.00 49.73 H new ATOM 0 HD12 ILE A 21 -1.807 0.723 -2.040 1.00 49.73 H new ATOM 0 HD13 ILE A 21 -0.151 1.365 -2.143 1.00 49.73 H new ATOM 328 N THR A 22 0.860 -2.316 -6.649 1.00 49.53 N ATOM 329 CA THR A 22 1.523 -3.586 -6.916 1.00 50.07 C ATOM 330 C THR A 22 2.638 -3.849 -5.912 1.00 50.51 C ATOM 331 O THR A 22 3.612 -3.098 -5.843 1.00 49.49 O ATOM 332 CB THR A 22 2.107 -3.631 -8.341 1.00 50.14 C ATOM 333 OG1 THR A 22 1.046 -3.527 -9.299 1.00 49.34 O ATOM 334 CG2 THR A 22 2.865 -4.929 -8.568 1.00 49.73 C ATOM 0 H THR A 22 1.319 -1.506 -7.065 1.00 49.53 H new ATOM 0 HA THR A 22 0.763 -4.362 -6.820 1.00 50.07 H new ATOM 0 HB THR A 22 2.797 -2.795 -8.460 1.00 50.14 H new ATOM 0 HG1 THR A 22 0.410 -4.260 -9.164 1.00 49.34 H new ATOM 0 HG21 THR A 22 3.270 -4.942 -9.580 1.00 49.73 H new ATOM 0 HG22 THR A 22 3.681 -5.004 -7.850 1.00 49.73 H new ATOM 0 HG23 THR A 22 2.188 -5.773 -8.437 1.00 49.73 H new ATOM 342 N PRO A 23 2.491 -4.917 -5.138 1.00 49.71 N ATOM 343 CA PRO A 23 3.444 -5.234 -4.081 1.00 50.02 C ATOM 344 C PRO A 23 4.838 -5.465 -4.649 1.00 50.51 C ATOM 345 O PRO A 23 4.993 -5.822 -5.818 1.00 49.49 O ATOM 346 CB PRO A 23 2.870 -6.501 -3.424 1.00 49.82 C ATOM 347 CG PRO A 23 1.401 -6.473 -3.748 1.00 49.82 C ATOM 348 CD PRO A 23 1.424 -5.921 -5.243 1.00 50.00 C ATOM 0 HA PRO A 23 3.563 -4.423 -3.363 1.00 50.02 H new ATOM 0 HB2 PRO A 23 3.344 -7.400 -3.818 1.00 49.82 H new ATOM 0 HB3 PRO A 23 3.037 -6.498 -2.347 1.00 49.82 H new ATOM 0 HG2 PRO A 23 0.946 -7.461 -3.681 1.00 49.82 H new ATOM 0 HG3 PRO A 23 0.844 -5.820 -3.077 1.00 49.82 H new ATOM 0 HD2 PRO A 23 1.657 -6.700 -5.969 1.00 50.00 H new ATOM 0 HD3 PRO A 23 0.470 -5.484 -5.539 1.00 50.00 H new ATOM 356 N ASP A 24 5.853 -5.261 -3.815 1.00 49.53 N ATOM 357 CA ASP A 24 7.235 -5.476 -4.223 1.00 50.07 C ATOM 358 C ASP A 24 7.482 -6.936 -4.584 1.00 50.51 C ATOM 359 O ASP A 24 8.410 -7.253 -5.329 1.00 49.49 O ATOM 360 CB ASP A 24 8.196 -5.039 -3.116 1.00 49.72 C ATOM 361 CG ASP A 24 8.319 -3.530 -2.950 1.00 50.62 C ATOM 362 OD1 ASP A 24 7.871 -2.817 -3.817 1.00 49.24 O ATOM 363 OD2 ASP A 24 8.715 -3.100 -1.892 1.00 49.24 O ATOM 0 H ASP A 24 5.743 -4.946 -2.851 1.00 49.53 H new ATOM 0 HA ASP A 24 7.418 -4.869 -5.110 1.00 50.07 H new ATOM 0 HB2 ASP A 24 7.864 -5.470 -2.172 1.00 49.72 H new ATOM 0 HB3 ASP A 24 9.183 -5.451 -3.325 1.00 49.72 H new ATOM 368 N ASP A 25 6.648 -7.821 -4.051 1.00 49.53 N ATOM 369 CA ASP A 25 6.778 -9.251 -4.309 1.00 50.07 C ATOM 370 C ASP A 25 6.068 -9.643 -5.599 1.00 50.51 C ATOM 371 O ASP A 25 6.226 -10.762 -6.089 1.00 49.49 O ATOM 372 CB ASP A 25 6.225 -10.061 -3.135 1.00 49.72 C ATOM 373 CG ASP A 25 7.081 -10.013 -1.877 1.00 50.62 C ATOM 374 OD1 ASP A 25 8.212 -9.595 -1.969 1.00 49.24 O ATOM 375 OD2 ASP A 25 6.555 -10.243 -0.815 1.00 49.24 O ATOM 0 H ASP A 25 5.873 -7.573 -3.436 1.00 49.53 H new ATOM 0 HA ASP A 25 7.839 -9.475 -4.422 1.00 50.07 H new ATOM 0 HB2 ASP A 25 5.227 -9.694 -2.895 1.00 49.72 H new ATOM 0 HB3 ASP A 25 6.116 -11.100 -3.446 1.00 49.72 H new ATOM 380 N GLY A 26 5.285 -8.718 -6.143 1.00 49.53 N ATOM 381 CA GLY A 26 4.546 -8.968 -7.374 1.00 49.98 C ATOM 382 C GLY A 26 3.220 -9.662 -7.089 1.00 50.51 C ATOM 383 O GLY A 26 2.552 -10.145 -8.003 1.00 49.49 O ATOM 0 H GLY A 26 5.146 -7.787 -5.750 1.00 49.53 H new ATOM 0 HA2 GLY A 26 4.363 -8.025 -7.889 1.00 49.98 H new ATOM 0 HA3 GLY A 26 5.146 -9.585 -8.043 1.00 49.98 H new ATOM 387 N SER A 27 2.842 -9.707 -5.816 1.00 49.53 N ATOM 388 CA SER A 27 1.599 -10.349 -5.408 1.00 50.07 C ATOM 389 C SER A 27 0.393 -9.663 -6.038 1.00 50.51 C ATOM 390 O SER A 27 0.498 -8.551 -6.554 1.00 49.49 O ATOM 391 CB SER A 27 1.481 -10.343 -3.896 1.00 50.05 C ATOM 392 OG SER A 27 2.528 -11.041 -3.283 1.00 49.34 O ATOM 0 H SER A 27 3.380 -9.306 -5.048 1.00 49.53 H new ATOM 0 HA SER A 27 1.618 -11.381 -5.758 1.00 50.07 H new ATOM 0 HB2 SER A 27 1.473 -9.314 -3.538 1.00 50.05 H new ATOM 0 HB3 SER A 27 0.530 -10.789 -3.605 1.00 50.05 H new ATOM 0 HG SER A 27 2.415 -11.012 -2.310 1.00 49.34 H new ATOM 398 N LYS A 28 -0.753 -10.334 -5.992 1.00 49.53 N ATOM 399 CA LYS A 28 -1.990 -9.776 -6.525 1.00 50.07 C ATOM 400 C LYS A 28 -2.128 -8.302 -6.170 1.00 50.51 C ATOM 401 O LYS A 28 -1.883 -7.902 -5.031 1.00 49.49 O ATOM 402 CB LYS A 28 -3.198 -10.557 -6.004 1.00 49.82 C ATOM 403 CG LYS A 28 -4.539 -10.069 -6.536 1.00 49.82 C ATOM 404 CD LYS A 28 -5.685 -10.929 -6.021 1.00 49.82 C ATOM 405 CE LYS A 28 -7.030 -10.402 -6.500 1.00 50.21 C ATOM 406 NZ LYS A 28 -8.158 -11.251 -6.029 1.00 49.70 N ATOM 0 H LYS A 28 -0.851 -11.266 -5.590 1.00 49.53 H new ATOM 0 HA LYS A 28 -1.953 -9.863 -7.611 1.00 50.07 H new ATOM 0 HB2 LYS A 28 -3.077 -11.608 -6.267 1.00 49.82 H new ATOM 0 HB3 LYS A 28 -3.210 -10.500 -4.916 1.00 49.82 H new ATOM 0 HG2 LYS A 28 -4.696 -9.033 -6.236 1.00 49.82 H new ATOM 0 HG3 LYS A 28 -4.529 -10.088 -7.626 1.00 49.82 H new ATOM 0 HD2 LYS A 28 -5.553 -11.956 -6.360 1.00 49.82 H new ATOM 0 HD3 LYS A 28 -5.667 -10.949 -4.931 1.00 49.82 H new ATOM 0 HE2 LYS A 28 -7.169 -9.382 -6.141 1.00 50.21 H new ATOM 0 HE3 LYS A 28 -7.037 -10.361 -7.589 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 -9.056 -10.859 -6.376 1.00 49.70 H new ATOM 0 HZ2 LYS A 28 -8.039 -12.218 -6.392 1.00 49.70 H new ATOM 0 HZ3 LYS A 28 -8.168 -11.270 -4.989 1.00 49.70 H new ATOM 420 N ASP A 29 -2.518 -7.496 -7.150 1.00 49.53 N ATOM 421 CA ASP A 29 -2.650 -6.057 -6.955 1.00 50.07 C ATOM 422 C ASP A 29 -3.574 -5.743 -5.786 1.00 50.51 C ATOM 423 O ASP A 29 -4.654 -6.324 -5.663 1.00 49.49 O ATOM 424 CB ASP A 29 -3.167 -5.386 -8.230 1.00 49.72 C ATOM 425 CG ASP A 29 -2.141 -5.285 -9.349 1.00 50.62 C ATOM 426 OD1 ASP A 29 -0.985 -5.528 -9.093 1.00 49.24 O ATOM 427 OD2 ASP A 29 -2.536 -5.119 -10.478 1.00 49.24 O ATOM 0 H ASP A 29 -2.749 -7.816 -8.091 1.00 49.53 H new ATOM 0 HA ASP A 29 -1.661 -5.661 -6.725 1.00 50.07 H new ATOM 0 HB2 ASP A 29 -4.030 -5.943 -8.594 1.00 49.72 H new ATOM 0 HB3 ASP A 29 -3.516 -4.384 -7.982 1.00 49.72 H new ATOM 432 N VAL A 30 -3.145 -4.823 -4.930 1.00 49.53 N ATOM 433 CA VAL A 30 -3.913 -4.461 -3.745 1.00 50.07 C ATOM 434 C VAL A 30 -4.690 -3.169 -3.963 1.00 50.51 C ATOM 435 O VAL A 30 -4.111 -2.136 -4.302 1.00 49.49 O ATOM 436 CB VAL A 30 -3.006 -4.301 -2.510 1.00 49.91 C ATOM 437 CG1 VAL A 30 -3.834 -3.964 -1.280 1.00 49.73 C ATOM 438 CG2 VAL A 30 -2.198 -5.569 -2.275 1.00 49.73 C ATOM 0 H VAL A 30 -2.268 -4.313 -5.035 1.00 49.53 H new ATOM 0 HA VAL A 30 -4.614 -5.276 -3.566 1.00 50.07 H new ATOM 0 HB VAL A 30 -2.314 -3.479 -2.696 1.00 49.91 H new ATOM 0 HG11 VAL A 30 -3.176 -3.855 -0.418 1.00 49.73 H new ATOM 0 HG12 VAL A 30 -4.371 -3.030 -1.447 1.00 49.73 H new ATOM 0 HG13 VAL A 30 -4.549 -4.765 -1.092 1.00 49.73 H new ATOM 0 HG21 VAL A 30 -1.563 -5.439 -1.399 1.00 49.73 H new ATOM 0 HG22 VAL A 30 -2.875 -6.407 -2.111 1.00 49.73 H new ATOM 0 HG23 VAL A 30 -1.576 -5.771 -3.147 1.00 49.73 H new ATOM 448 N PHE A 31 -6.002 -3.233 -3.767 1.00 49.53 N ATOM 449 CA PHE A 31 -6.862 -2.070 -3.955 1.00 50.07 C ATOM 450 C PHE A 31 -6.690 -1.068 -2.820 1.00 50.51 C ATOM 451 O PHE A 31 -6.835 -1.414 -1.647 1.00 49.49 O ATOM 452 CB PHE A 31 -8.326 -2.501 -4.060 1.00 49.82 C ATOM 453 CG PHE A 31 -9.292 -1.352 -4.123 1.00 50.00 C ATOM 454 CD1 PHE A 31 -9.411 -0.590 -5.276 1.00 49.88 C ATOM 455 CD2 PHE A 31 -10.083 -1.031 -3.031 1.00 49.88 C ATOM 456 CE1 PHE A 31 -10.299 0.468 -5.335 1.00 49.88 C ATOM 457 CE2 PHE A 31 -10.973 0.025 -3.088 1.00 49.88 C ATOM 458 CZ PHE A 31 -11.080 0.774 -4.241 1.00 49.88 C ATOM 0 H PHE A 31 -6.494 -4.078 -3.478 1.00 49.53 H new ATOM 0 HA PHE A 31 -6.568 -1.583 -4.885 1.00 50.07 H new ATOM 0 HB2 PHE A 31 -8.451 -3.118 -4.950 1.00 49.82 H new ATOM 0 HB3 PHE A 31 -8.574 -3.126 -3.202 1.00 49.82 H new ATOM 0 HD1 PHE A 31 -8.803 -0.826 -6.137 1.00 49.88 H new ATOM 0 HD2 PHE A 31 -10.003 -1.613 -2.125 1.00 49.88 H new ATOM 0 HE1 PHE A 31 -10.381 1.055 -6.238 1.00 49.88 H new ATOM 0 HE2 PHE A 31 -11.584 0.263 -2.230 1.00 49.88 H new ATOM 0 HZ PHE A 31 -11.775 1.599 -4.287 1.00 49.88 H new ATOM 468 N VAL A 32 -6.381 0.174 -3.177 1.00 49.53 N ATOM 469 CA VAL A 32 -6.175 1.225 -2.188 1.00 50.07 C ATOM 470 C VAL A 32 -7.243 2.306 -2.301 1.00 50.51 C ATOM 471 O VAL A 32 -7.553 2.774 -3.396 1.00 49.49 O ATOM 472 CB VAL A 32 -4.785 1.873 -2.334 1.00 49.91 C ATOM 473 CG1 VAL A 32 -4.616 2.462 -3.727 1.00 49.73 C ATOM 474 CG2 VAL A 32 -4.583 2.946 -1.276 1.00 49.73 C ATOM 0 H VAL A 32 -6.268 0.477 -4.144 1.00 49.53 H new ATOM 0 HA VAL A 32 -6.244 0.752 -1.208 1.00 50.07 H new ATOM 0 HB VAL A 32 -4.029 1.101 -2.191 1.00 49.91 H new ATOM 0 HG11 VAL A 32 -3.629 2.916 -3.813 1.00 49.73 H new ATOM 0 HG12 VAL A 32 -4.718 1.672 -4.471 1.00 49.73 H new ATOM 0 HG13 VAL A 32 -5.380 3.221 -3.896 1.00 49.73 H new ATOM 0 HG21 VAL A 32 -3.596 3.393 -1.395 1.00 49.73 H new ATOM 0 HG22 VAL A 32 -5.346 3.716 -1.389 1.00 49.73 H new ATOM 0 HG23 VAL A 32 -4.662 2.499 -0.285 1.00 49.73 H new ATOM 484 N HIS A 33 -7.802 2.699 -1.162 1.00 49.53 N ATOM 485 CA HIS A 33 -8.823 3.739 -1.129 1.00 50.07 C ATOM 486 C HIS A 33 -8.269 5.036 -0.551 1.00 50.51 C ATOM 487 O HIS A 33 -7.386 5.016 0.307 1.00 49.49 O ATOM 488 CB HIS A 33 -10.038 3.280 -0.316 1.00 49.92 C ATOM 489 CG HIS A 33 -11.303 3.999 -0.670 1.00 50.22 C ATOM 490 ND1 HIS A 33 -11.777 5.070 0.057 1.00 49.30 N ATOM 491 CD2 HIS A 33 -12.193 3.798 -1.670 1.00 49.95 C ATOM 492 CE1 HIS A 33 -12.905 5.500 -0.484 1.00 50.25 C ATOM 493 NE2 HIS A 33 -13.179 4.744 -1.531 1.00 49.64 N ATOM 0 H HIS A 33 -7.565 2.312 -0.248 1.00 49.53 H new ATOM 0 HA HIS A 33 -9.137 3.927 -2.156 1.00 50.07 H new ATOM 0 HB2 HIS A 33 -10.183 2.210 -0.468 1.00 49.92 H new ATOM 0 HB3 HIS A 33 -9.831 3.426 0.744 1.00 49.92 H new ATOM 0 HD2 HIS A 33 -12.138 3.037 -2.434 1.00 49.95 H new ATOM 0 HE1 HIS A 33 -13.500 6.328 -0.130 1.00 50.25 H new ATOM 0 HE2 HIS A 33 -13.992 4.846 -2.139 1.00 49.64 H new ATOM 501 N PHE A 34 -8.793 6.160 -1.026 1.00 49.53 N ATOM 502 CA PHE A 34 -8.333 7.469 -0.575 1.00 50.07 C ATOM 503 C PHE A 34 -8.556 7.646 0.921 1.00 50.51 C ATOM 504 O PHE A 34 -7.859 8.422 1.575 1.00 49.49 O ATOM 505 CB PHE A 34 -9.045 8.581 -1.348 1.00 49.82 C ATOM 506 CG PHE A 34 -10.329 9.033 -0.711 1.00 50.00 C ATOM 507 CD1 PHE A 34 -10.326 10.022 0.261 1.00 49.88 C ATOM 508 CD2 PHE A 34 -11.541 8.474 -1.084 1.00 49.88 C ATOM 509 CE1 PHE A 34 -11.505 10.441 0.847 1.00 49.88 C ATOM 510 CE2 PHE A 34 -12.722 8.891 -0.502 1.00 49.88 C ATOM 511 CZ PHE A 34 -12.703 9.876 0.466 1.00 49.88 C ATOM 0 H PHE A 34 -9.537 6.192 -1.723 1.00 49.53 H new ATOM 0 HA PHE A 34 -7.262 7.532 -0.769 1.00 50.07 H new ATOM 0 HB2 PHE A 34 -8.374 9.435 -1.438 1.00 49.82 H new ATOM 0 HB3 PHE A 34 -9.255 8.232 -2.359 1.00 49.82 H new ATOM 0 HD1 PHE A 34 -9.391 10.470 0.564 1.00 49.88 H new ATOM 0 HD2 PHE A 34 -11.562 7.702 -1.839 1.00 49.88 H new ATOM 0 HE1 PHE A 34 -11.488 11.211 1.604 1.00 49.88 H new ATOM 0 HE2 PHE A 34 -13.659 8.447 -0.803 1.00 49.88 H new ATOM 0 HZ PHE A 34 -13.625 10.203 0.923 1.00 49.88 H new ATOM 521 N SER A 35 -9.530 6.921 1.459 1.00 49.53 N ATOM 522 CA SER A 35 -9.823 6.969 2.887 1.00 50.07 C ATOM 523 C SER A 35 -8.833 6.128 3.681 1.00 50.51 C ATOM 524 O SER A 35 -8.719 6.270 4.899 1.00 49.49 O ATOM 525 CB SER A 35 -11.241 6.501 3.145 1.00 50.05 C ATOM 526 OG SER A 35 -11.404 5.138 2.867 1.00 49.34 O ATOM 0 H SER A 35 -10.131 6.292 0.927 1.00 49.53 H new ATOM 0 HA SER A 35 -9.725 8.003 3.219 1.00 50.07 H new ATOM 0 HB2 SER A 35 -11.502 6.692 4.186 1.00 50.05 H new ATOM 0 HB3 SER A 35 -11.931 7.081 2.532 1.00 50.05 H new ATOM 0 HG SER A 35 -11.745 5.029 1.955 1.00 49.34 H new ATOM 532 N ALA A 36 -8.118 5.249 2.987 1.00 49.53 N ATOM 533 CA ALA A 36 -7.106 4.413 3.619 1.00 50.07 C ATOM 534 C ALA A 36 -5.774 5.145 3.727 1.00 50.51 C ATOM 535 O ALA A 36 -4.862 4.695 4.420 1.00 49.49 O ATOM 536 CB ALA A 36 -6.938 3.112 2.848 1.00 49.73 C ATOM 0 H ALA A 36 -8.222 5.097 1.984 1.00 49.53 H new ATOM 0 HA ALA A 36 -7.443 4.182 4.629 1.00 50.07 H new ATOM 0 HB1 ALA A 36 -6.179 2.498 3.332 1.00 49.73 H new ATOM 0 HB2 ALA A 36 -7.885 2.573 2.833 1.00 49.73 H new ATOM 0 HB3 ALA A 36 -6.629 3.332 1.826 1.00 49.73 H new ATOM 542 N ILE A 37 -5.669 6.276 3.039 1.00 49.53 N ATOM 543 CA ILE A 37 -4.446 7.069 3.049 1.00 50.07 C ATOM 544 C ILE A 37 -4.352 7.920 4.309 1.00 50.51 C ATOM 545 O ILE A 37 -5.206 8.769 4.561 1.00 49.49 O ATOM 546 CB ILE A 37 -4.354 7.984 1.814 1.00 49.91 C ATOM 547 CG1 ILE A 37 -4.332 7.150 0.531 1.00 49.82 C ATOM 548 CG2 ILE A 37 -3.120 8.870 1.899 1.00 49.73 C ATOM 549 CD1 ILE A 37 -4.436 7.971 -0.734 1.00 49.73 C ATOM 0 H ILE A 37 -6.418 6.665 2.466 1.00 49.53 H new ATOM 0 HA ILE A 37 -3.615 6.364 3.028 1.00 50.07 H new ATOM 0 HB ILE A 37 -5.235 8.625 1.791 1.00 49.91 H new ATOM 0 HG12 ILE A 37 -3.409 6.570 0.502 1.00 49.82 H new ATOM 0 HG13 ILE A 37 -5.156 6.437 0.559 1.00 49.82 H new ATOM 0 HG21 ILE A 37 -3.070 9.510 1.018 1.00 49.73 H new ATOM 0 HG22 ILE A 37 -3.177 9.489 2.795 1.00 49.73 H new ATOM 0 HG23 ILE A 37 -2.227 8.247 1.945 1.00 49.73 H new ATOM 0 HD11 ILE A 37 -4.414 7.309 -1.600 1.00 49.73 H new ATOM 0 HD12 ILE A 37 -5.371 8.530 -0.729 1.00 49.73 H new ATOM 0 HD13 ILE A 37 -3.598 8.666 -0.787 1.00 49.73 H new ATOM 561 N GLN A 38 -3.309 7.688 5.098 1.00 49.53 N ATOM 562 CA GLN A 38 -3.117 8.413 6.348 1.00 50.07 C ATOM 563 C GLN A 38 -2.134 9.563 6.173 1.00 50.51 C ATOM 564 O GLN A 38 -1.925 10.358 7.087 1.00 49.49 O ATOM 565 CB GLN A 38 -2.616 7.468 7.444 1.00 49.82 C ATOM 566 CG GLN A 38 -3.563 6.322 7.759 1.00 49.82 C ATOM 567 CD GLN A 38 -4.915 6.807 8.247 1.00 50.55 C ATOM 568 OE1 GLN A 38 -5.000 7.648 9.146 1.00 49.45 O ATOM 569 NE2 GLN A 38 -5.980 6.272 7.661 1.00 49.38 N ATOM 0 H GLN A 38 -2.582 7.002 4.893 1.00 49.53 H new ATOM 0 HA GLN A 38 -4.082 8.825 6.643 1.00 50.07 H new ATOM 0 HB2 GLN A 38 -1.653 7.056 7.141 1.00 49.82 H new ATOM 0 HB3 GLN A 38 -2.444 8.043 8.354 1.00 49.82 H new ATOM 0 HG2 GLN A 38 -3.700 5.711 6.867 1.00 49.82 H new ATOM 0 HG3 GLN A 38 -3.114 5.681 8.518 1.00 49.82 H new ATOM 0 HE21 GLN A 38 -5.861 5.580 6.921 1.00 49.38 H new ATOM 0 HE22 GLN A 38 -6.917 6.554 7.950 1.00 49.38 H new ATOM 578 N ASN A 39 -1.531 9.645 4.990 1.00 49.53 N ATOM 579 CA ASN A 39 -0.597 10.720 4.681 1.00 50.07 C ATOM 580 C ASN A 39 -1.292 12.075 4.694 1.00 50.51 C ATOM 581 O ASN A 39 -2.318 12.263 4.039 1.00 49.49 O ATOM 582 CB ASN A 39 0.085 10.493 3.343 1.00 49.82 C ATOM 583 CG ASN A 39 1.210 11.453 3.067 1.00 50.55 C ATOM 584 OD1 ASN A 39 1.807 12.021 3.987 1.00 49.45 O ATOM 585 ND2 ASN A 39 1.445 11.697 1.804 1.00 49.38 N ATOM 0 H ASN A 39 -1.673 8.979 4.231 1.00 49.53 H new ATOM 0 HA ASN A 39 0.167 10.717 5.459 1.00 50.07 H new ATOM 0 HB2 ASN A 39 0.472 9.475 3.311 1.00 49.82 H new ATOM 0 HB3 ASN A 39 -0.656 10.578 2.548 1.00 49.82 H new ATOM 0 HD21 ASN A 39 2.150 12.385 1.540 1.00 49.38 H new ATOM 0 HD22 ASN A 39 0.923 11.199 1.083 1.00 49.38 H new ATOM 592 N ASP A 40 -0.729 13.016 5.443 1.00 49.53 N ATOM 593 CA ASP A 40 -1.299 14.354 5.550 1.00 50.07 C ATOM 594 C ASP A 40 -1.312 15.058 4.199 1.00 50.51 C ATOM 595 O ASP A 40 -0.433 14.837 3.365 1.00 49.49 O ATOM 596 CB ASP A 40 -0.521 15.189 6.571 1.00 49.72 C ATOM 597 CG ASP A 40 -0.754 14.786 8.021 1.00 50.62 C ATOM 598 OD1 ASP A 40 -1.640 14.002 8.264 1.00 49.24 O ATOM 599 OD2 ASP A 40 0.051 15.139 8.851 1.00 49.24 O ATOM 0 H ASP A 40 0.123 12.877 5.986 1.00 49.53 H new ATOM 0 HA ASP A 40 -2.330 14.250 5.890 1.00 50.07 H new ATOM 0 HB2 ASP A 40 0.544 15.110 6.351 1.00 49.72 H new ATOM 0 HB3 ASP A 40 -0.795 16.237 6.449 1.00 49.72 H new ATOM 604 N GLY A 41 -2.313 15.905 3.989 1.00 49.53 N ATOM 605 CA GLY A 41 -2.460 16.619 2.726 1.00 49.98 C ATOM 606 C GLY A 41 -3.532 15.979 1.853 1.00 50.51 C ATOM 607 O GLY A 41 -4.467 15.358 2.358 1.00 49.49 O ATOM 0 H GLY A 41 -3.036 16.114 4.678 1.00 49.53 H new ATOM 0 HA2 GLY A 41 -2.720 17.659 2.921 1.00 49.98 H new ATOM 0 HA3 GLY A 41 -1.508 16.623 2.194 1.00 49.98 H new ATOM 611 N TYR A 42 -3.389 16.132 0.541 1.00 49.53 N ATOM 612 CA TYR A 42 -4.349 15.577 -0.405 1.00 50.07 C ATOM 613 C TYR A 42 -4.310 14.054 -0.399 1.00 50.51 C ATOM 614 O TYR A 42 -3.235 13.451 -0.398 1.00 49.49 O ATOM 615 CB TYR A 42 -4.078 16.103 -1.815 1.00 49.82 C ATOM 616 CG TYR A 42 -4.420 17.566 -1.999 1.00 50.00 C ATOM 617 CD1 TYR A 42 -5.734 17.971 -2.182 1.00 49.88 C ATOM 618 CD2 TYR A 42 -3.429 18.536 -1.992 1.00 49.88 C ATOM 619 CE1 TYR A 42 -6.052 19.304 -2.351 1.00 49.88 C ATOM 620 CE2 TYR A 42 -3.736 19.873 -2.160 1.00 49.88 C ATOM 621 CZ TYR A 42 -5.050 20.252 -2.339 1.00 50.11 C ATOM 622 OH TYR A 42 -5.362 21.582 -2.509 1.00 49.46 O ATOM 0 H TYR A 42 -2.616 16.637 0.108 1.00 49.53 H new ATOM 0 HA TYR A 42 -5.344 15.895 -0.094 1.00 50.07 H new ATOM 0 HB2 TYR A 42 -3.025 15.953 -2.052 1.00 49.82 H new ATOM 0 HB3 TYR A 42 -4.652 15.513 -2.529 1.00 49.82 H new ATOM 0 HD1 TYR A 42 -6.521 17.232 -2.192 1.00 49.88 H new ATOM 0 HD2 TYR A 42 -2.399 18.241 -1.853 1.00 49.88 H new ATOM 0 HE1 TYR A 42 -7.080 19.603 -2.492 1.00 49.88 H new ATOM 0 HE2 TYR A 42 -2.952 20.616 -2.151 1.00 49.88 H new ATOM 0 HH TYR A 42 -4.542 22.117 -2.473 1.00 49.46 H new ATOM 632 N LYS A 43 -5.485 13.435 -0.397 1.00 49.53 N ATOM 633 CA LYS A 43 -5.589 11.984 -0.317 1.00 50.07 C ATOM 634 C LYS A 43 -5.533 11.351 -1.701 1.00 50.51 C ATOM 635 O LYS A 43 -6.534 10.835 -2.198 1.00 49.49 O ATOM 636 CB LYS A 43 -6.878 11.576 0.397 1.00 49.82 C ATOM 637 CG LYS A 43 -7.010 12.117 1.815 1.00 49.82 C ATOM 638 CD LYS A 43 -5.894 11.600 2.710 1.00 49.82 C ATOM 639 CE LYS A 43 -6.059 12.090 4.142 1.00 50.21 C ATOM 640 NZ LYS A 43 -4.966 11.603 5.025 1.00 49.70 N ATOM 0 H LYS A 43 -6.382 13.918 -0.450 1.00 49.53 H new ATOM 0 HA LYS A 43 -4.738 11.621 0.259 1.00 50.07 H new ATOM 0 HB2 LYS A 43 -7.729 11.920 -0.191 1.00 49.82 H new ATOM 0 HB3 LYS A 43 -6.932 10.488 0.430 1.00 49.82 H new ATOM 0 HG2 LYS A 43 -6.987 13.207 1.794 1.00 49.82 H new ATOM 0 HG3 LYS A 43 -7.975 11.826 2.229 1.00 49.82 H new ATOM 0 HD2 LYS A 43 -5.889 10.510 2.695 1.00 49.82 H new ATOM 0 HD3 LYS A 43 -4.931 11.929 2.320 1.00 49.82 H new ATOM 0 HE2 LYS A 43 -6.076 13.180 4.153 1.00 50.21 H new ATOM 0 HE3 LYS A 43 -7.019 11.752 4.533 1.00 50.21 H new ATOM 0 HZ1 LYS A 43 -5.125 11.945 5.994 1.00 49.70 H new ATOM 0 HZ2 LYS A 43 -4.954 10.563 5.022 1.00 49.70 H new ATOM 0 HZ3 LYS A 43 -4.053 11.960 4.677 1.00 49.70 H new ATOM 654 N SER A 44 -4.357 11.390 -2.317 1.00 49.53 N ATOM 655 CA SER A 44 -4.158 10.783 -3.628 1.00 50.07 C ATOM 656 C SER A 44 -2.751 10.215 -3.764 1.00 50.51 C ATOM 657 O SER A 44 -1.823 10.659 -3.087 1.00 49.49 O ATOM 658 CB SER A 44 -4.425 11.799 -4.721 1.00 50.05 C ATOM 659 OG SER A 44 -3.497 12.849 -4.703 1.00 49.34 O ATOM 0 H SER A 44 -3.526 11.836 -1.929 1.00 49.53 H new ATOM 0 HA SER A 44 -4.864 9.959 -3.730 1.00 50.07 H new ATOM 0 HB2 SER A 44 -4.393 11.304 -5.691 1.00 50.05 H new ATOM 0 HB3 SER A 44 -5.431 12.202 -4.602 1.00 50.05 H new ATOM 0 HG SER A 44 -3.703 13.480 -5.424 1.00 49.34 H new ATOM 665 N LEU A 45 -2.599 9.230 -4.644 1.00 49.53 N ATOM 666 CA LEU A 45 -1.308 8.582 -4.852 1.00 50.07 C ATOM 667 C LEU A 45 -0.804 8.806 -6.272 1.00 50.51 C ATOM 668 O LEU A 45 -1.589 8.868 -7.218 1.00 49.49 O ATOM 669 CB LEU A 45 -1.414 7.082 -4.551 1.00 49.82 C ATOM 670 CG LEU A 45 -1.848 6.732 -3.122 1.00 49.91 C ATOM 671 CD1 LEU A 45 -2.027 5.226 -2.985 1.00 49.73 C ATOM 672 CD2 LEU A 45 -0.807 7.242 -2.136 1.00 49.73 C ATOM 0 H LEU A 45 -3.353 8.863 -5.224 1.00 49.53 H new ATOM 0 HA LEU A 45 -0.588 9.029 -4.166 1.00 50.07 H new ATOM 0 HB2 LEU A 45 -2.124 6.637 -5.248 1.00 49.82 H new ATOM 0 HB3 LEU A 45 -0.446 6.620 -4.743 1.00 49.82 H new ATOM 0 HG LEU A 45 -2.803 7.211 -2.904 1.00 49.91 H new ATOM 0 HD11 LEU A 45 -2.335 4.987 -1.967 1.00 49.73 H new ATOM 0 HD12 LEU A 45 -2.790 4.885 -3.685 1.00 49.73 H new ATOM 0 HD13 LEU A 45 -1.084 4.726 -3.205 1.00 49.73 H new ATOM 0 HD21 LEU A 45 -1.115 6.993 -1.120 1.00 49.73 H new ATOM 0 HD22 LEU A 45 0.155 6.775 -2.348 1.00 49.73 H new ATOM 0 HD23 LEU A 45 -0.714 8.324 -2.232 1.00 49.73 H new ATOM 684 N ASP A 46 0.512 8.924 -6.415 1.00 49.53 N ATOM 685 CA ASP A 46 1.123 9.164 -7.716 1.00 50.07 C ATOM 686 C ASP A 46 1.651 7.871 -8.325 1.00 50.51 C ATOM 687 O ASP A 46 2.114 6.983 -7.611 1.00 49.49 O ATOM 688 CB ASP A 46 2.253 10.188 -7.597 1.00 49.72 C ATOM 689 CG ASP A 46 1.787 11.609 -7.307 1.00 50.62 C ATOM 690 OD1 ASP A 46 0.617 11.872 -7.457 1.00 49.24 O ATOM 691 OD2 ASP A 46 2.565 12.375 -6.791 1.00 49.24 O ATOM 0 H ASP A 46 1.176 8.857 -5.644 1.00 49.53 H new ATOM 0 HA ASP A 46 0.353 9.562 -8.376 1.00 50.07 H new ATOM 0 HB2 ASP A 46 2.931 9.872 -6.804 1.00 49.72 H new ATOM 0 HB3 ASP A 46 2.825 10.189 -8.525 1.00 49.72 H new ATOM 696 N GLU A 47 1.576 7.774 -9.647 1.00 49.53 N ATOM 697 CA GLU A 47 2.096 6.611 -10.359 1.00 50.07 C ATOM 698 C GLU A 47 3.610 6.515 -10.227 1.00 50.51 C ATOM 699 O GLU A 47 4.332 7.460 -10.546 1.00 49.49 O ATOM 700 CB GLU A 47 1.700 6.667 -11.838 1.00 49.82 C ATOM 701 CG GLU A 47 2.147 5.463 -12.653 1.00 49.72 C ATOM 702 CD GLU A 47 1.659 5.554 -14.073 1.00 50.62 C ATOM 703 OE1 GLU A 47 0.963 6.491 -14.383 1.00 49.24 O ATOM 704 OE2 GLU A 47 2.071 4.749 -14.874 1.00 49.24 O ATOM 0 H GLU A 47 1.161 8.486 -10.248 1.00 49.53 H new ATOM 0 HA GLU A 47 1.658 5.721 -9.908 1.00 50.07 H new ATOM 0 HB2 GLU A 47 0.616 6.756 -11.908 1.00 49.82 H new ATOM 0 HB3 GLU A 47 2.123 7.568 -12.281 1.00 49.82 H new ATOM 0 HG2 GLU A 47 3.235 5.398 -12.643 1.00 49.72 H new ATOM 0 HG3 GLU A 47 1.769 4.550 -12.194 1.00 49.72 H new ATOM 711 N GLY A 48 4.086 5.369 -9.754 1.00 49.53 N ATOM 712 CA GLY A 48 5.516 5.152 -9.566 1.00 49.98 C ATOM 713 C GLY A 48 5.937 5.461 -8.136 1.00 50.51 C ATOM 714 O GLY A 48 7.091 5.255 -7.760 1.00 49.49 O ATOM 0 H GLY A 48 3.502 4.575 -9.493 1.00 49.53 H new ATOM 0 HA2 GLY A 48 5.764 4.118 -9.805 1.00 49.98 H new ATOM 0 HA3 GLY A 48 6.076 5.782 -10.257 1.00 49.98 H new ATOM 718 N GLN A 49 4.995 5.957 -7.342 1.00 49.53 N ATOM 719 CA GLN A 49 5.264 6.289 -5.946 1.00 50.07 C ATOM 720 C GLN A 49 5.385 5.031 -5.095 1.00 50.51 C ATOM 721 O GLN A 49 4.479 4.197 -5.070 1.00 49.49 O ATOM 722 CB GLN A 49 4.160 7.187 -5.387 1.00 49.82 C ATOM 723 CG GLN A 49 4.384 7.628 -3.950 1.00 49.82 C ATOM 724 CD GLN A 49 3.338 8.619 -3.478 1.00 50.55 C ATOM 725 OE1 GLN A 49 2.436 8.996 -4.230 1.00 49.45 O ATOM 726 NE2 GLN A 49 3.455 9.051 -2.227 1.00 49.38 N ATOM 0 H GLN A 49 4.037 6.139 -7.641 1.00 49.53 H new ATOM 0 HA GLN A 49 6.213 6.824 -5.909 1.00 50.07 H new ATOM 0 HB2 GLN A 49 4.073 8.072 -6.017 1.00 49.82 H new ATOM 0 HB3 GLN A 49 3.210 6.657 -5.449 1.00 49.82 H new ATOM 0 HG2 GLN A 49 4.372 6.754 -3.299 1.00 49.82 H new ATOM 0 HG3 GLN A 49 5.373 8.078 -3.861 1.00 49.82 H new ATOM 0 HE21 GLN A 49 4.217 8.712 -1.640 1.00 49.38 H new ATOM 0 HE22 GLN A 49 2.783 9.721 -1.854 1.00 49.38 H new ATOM 735 N LYS A 50 6.509 4.899 -4.399 1.00 49.53 N ATOM 736 CA LYS A 50 6.692 3.820 -3.435 1.00 50.07 C ATOM 737 C LYS A 50 5.994 4.134 -2.118 1.00 50.51 C ATOM 738 O LYS A 50 6.203 5.195 -1.531 1.00 49.49 O ATOM 739 CB LYS A 50 8.181 3.564 -3.196 1.00 49.82 C ATOM 740 CG LYS A 50 8.923 2.995 -4.396 1.00 49.82 C ATOM 741 CD LYS A 50 10.395 2.772 -4.083 1.00 49.82 C ATOM 742 CE LYS A 50 11.140 2.211 -5.284 1.00 50.21 C ATOM 743 NZ LYS A 50 12.582 1.986 -4.991 1.00 49.70 N ATOM 0 H LYS A 50 7.308 5.527 -4.485 1.00 49.53 H new ATOM 0 HA LYS A 50 6.241 2.919 -3.851 1.00 50.07 H new ATOM 0 HB2 LYS A 50 8.655 4.500 -2.902 1.00 49.82 H new ATOM 0 HB3 LYS A 50 8.289 2.875 -2.358 1.00 49.82 H new ATOM 0 HG2 LYS A 50 8.466 2.052 -4.695 1.00 49.82 H new ATOM 0 HG3 LYS A 50 8.828 3.677 -5.241 1.00 49.82 H new ATOM 0 HD2 LYS A 50 10.850 3.714 -3.778 1.00 49.82 H new ATOM 0 HD3 LYS A 50 10.489 2.086 -3.241 1.00 49.82 H new ATOM 0 HE2 LYS A 50 10.681 1.270 -5.588 1.00 50.21 H new ATOM 0 HE3 LYS A 50 11.044 2.899 -6.124 1.00 50.21 H new ATOM 0 HZ1 LYS A 50 13.052 1.603 -5.836 1.00 49.70 H new ATOM 0 HZ2 LYS A 50 13.027 2.888 -4.725 1.00 49.70 H new ATOM 0 HZ3 LYS A 50 12.675 1.310 -4.207 1.00 49.70 H new ATOM 757 N VAL A 51 5.166 3.202 -1.658 1.00 49.53 N ATOM 758 CA VAL A 51 4.346 3.425 -0.473 1.00 50.07 C ATOM 759 C VAL A 51 4.430 2.242 0.484 1.00 50.51 C ATOM 760 O VAL A 51 4.696 1.114 0.070 1.00 49.49 O ATOM 761 CB VAL A 51 2.872 3.671 -0.842 1.00 49.91 C ATOM 762 CG1 VAL A 51 2.725 4.976 -1.610 1.00 49.73 C ATOM 763 CG2 VAL A 51 2.326 2.510 -1.659 1.00 49.73 C ATOM 0 H VAL A 51 5.045 2.285 -2.088 1.00 49.53 H new ATOM 0 HA VAL A 51 4.739 4.315 0.018 1.00 50.07 H new ATOM 0 HB VAL A 51 2.295 3.746 0.080 1.00 49.91 H new ATOM 0 HG11 VAL A 51 1.676 5.133 -1.863 1.00 49.73 H new ATOM 0 HG12 VAL A 51 3.078 5.803 -0.993 1.00 49.73 H new ATOM 0 HG13 VAL A 51 3.315 4.928 -2.525 1.00 49.73 H new ATOM 0 HG21 VAL A 51 1.283 2.701 -1.911 1.00 49.73 H new ATOM 0 HG22 VAL A 51 2.907 2.405 -2.575 1.00 49.73 H new ATOM 0 HG23 VAL A 51 2.396 1.591 -1.077 1.00 49.73 H new ATOM 773 N SER A 52 4.200 2.506 1.765 1.00 49.53 N ATOM 774 CA SER A 52 4.126 1.449 2.765 1.00 50.07 C ATOM 775 C SER A 52 2.758 1.415 3.433 1.00 50.51 C ATOM 776 O SER A 52 2.212 2.454 3.803 1.00 49.49 O ATOM 777 CB SER A 52 5.216 1.634 3.804 1.00 50.05 C ATOM 778 OG SER A 52 5.125 0.691 4.836 1.00 49.34 O ATOM 0 H SER A 52 4.061 3.446 2.136 1.00 49.53 H new ATOM 0 HA SER A 52 4.275 0.495 2.260 1.00 50.07 H new ATOM 0 HB2 SER A 52 6.191 1.553 3.324 1.00 50.05 H new ATOM 0 HB3 SER A 52 5.150 2.638 4.224 1.00 50.05 H new ATOM 0 HG SER A 52 5.845 0.843 5.483 1.00 49.34 H new ATOM 784 N PHE A 53 2.207 0.215 3.584 1.00 49.53 N ATOM 785 CA PHE A 53 0.854 0.052 4.101 1.00 50.07 C ATOM 786 C PHE A 53 0.669 -1.320 4.737 1.00 50.51 C ATOM 787 O PHE A 53 1.585 -2.142 4.740 1.00 49.49 O ATOM 788 CB PHE A 53 -0.173 0.258 2.986 1.00 49.82 C ATOM 789 CG PHE A 53 0.056 -0.614 1.784 1.00 50.00 C ATOM 790 CD1 PHE A 53 0.952 -0.235 0.795 1.00 49.88 C ATOM 791 CD2 PHE A 53 -0.623 -1.813 1.638 1.00 49.88 C ATOM 792 CE1 PHE A 53 1.163 -1.035 -0.311 1.00 49.88 C ATOM 793 CE2 PHE A 53 -0.413 -2.615 0.533 1.00 49.88 C ATOM 794 CZ PHE A 53 0.480 -2.225 -0.443 1.00 49.88 C ATOM 0 H PHE A 53 2.678 -0.660 3.355 1.00 49.53 H new ATOM 0 HA PHE A 53 0.697 0.808 4.871 1.00 50.07 H new ATOM 0 HB2 PHE A 53 -1.170 0.062 3.381 1.00 49.82 H new ATOM 0 HB3 PHE A 53 -0.154 1.302 2.675 1.00 49.82 H new ATOM 0 HD1 PHE A 53 1.491 0.696 0.891 1.00 49.88 H new ATOM 0 HD2 PHE A 53 -1.325 -2.124 2.397 1.00 49.88 H new ATOM 0 HE1 PHE A 53 1.864 -0.728 -1.073 1.00 49.88 H new ATOM 0 HE2 PHE A 53 -0.948 -3.548 0.433 1.00 49.88 H new ATOM 0 HZ PHE A 53 0.644 -2.850 -1.308 1.00 49.88 H new ATOM 804 N THR A 54 -0.521 -1.561 5.277 1.00 49.53 N ATOM 805 CA THR A 54 -0.906 -2.895 5.719 1.00 50.07 C ATOM 806 C THR A 54 -1.923 -3.517 4.770 1.00 50.51 C ATOM 807 O THR A 54 -2.698 -2.811 4.126 1.00 49.49 O ATOM 808 CB THR A 54 -1.494 -2.873 7.142 1.00 50.14 C ATOM 809 OG1 THR A 54 -2.615 -1.979 7.183 1.00 49.34 O ATOM 810 CG2 THR A 54 -0.448 -2.412 8.145 1.00 49.73 C ATOM 0 H THR A 54 -1.236 -0.848 5.419 1.00 49.53 H new ATOM 0 HA THR A 54 0.002 -3.498 5.721 1.00 50.07 H new ATOM 0 HB THR A 54 -1.813 -3.882 7.403 1.00 50.14 H new ATOM 0 HG1 THR A 54 -3.256 -2.289 7.856 1.00 49.34 H new ATOM 0 HG21 THR A 54 -0.882 -2.403 9.145 1.00 49.73 H new ATOM 0 HG22 THR A 54 0.402 -3.095 8.124 1.00 49.73 H new ATOM 0 HG23 THR A 54 -0.113 -1.408 7.886 1.00 49.73 H new ATOM 818 N ILE A 55 -1.914 -4.843 4.688 1.00 49.53 N ATOM 819 CA ILE A 55 -2.708 -5.555 3.693 1.00 50.07 C ATOM 820 C ILE A 55 -3.755 -6.440 4.355 1.00 50.51 C ATOM 821 O ILE A 55 -3.465 -7.144 5.323 1.00 49.49 O ATOM 822 CB ILE A 55 -1.822 -6.419 2.778 1.00 49.91 C ATOM 823 CG1 ILE A 55 -2.673 -7.105 1.705 1.00 49.82 C ATOM 824 CG2 ILE A 55 -1.057 -7.449 3.596 1.00 49.73 C ATOM 825 CD1 ILE A 55 -1.864 -7.742 0.598 1.00 49.73 C ATOM 0 H ILE A 55 -1.365 -5.447 5.299 1.00 49.53 H new ATOM 0 HA ILE A 55 -3.208 -4.798 3.089 1.00 50.07 H new ATOM 0 HB ILE A 55 -1.099 -5.771 2.282 1.00 49.91 H new ATOM 0 HG12 ILE A 55 -3.289 -7.870 2.178 1.00 49.82 H new ATOM 0 HG13 ILE A 55 -3.352 -6.372 1.270 1.00 49.82 H new ATOM 0 HG21 ILE A 55 -0.436 -8.051 2.933 1.00 49.73 H new ATOM 0 HG22 ILE A 55 -0.424 -6.939 4.323 1.00 49.73 H new ATOM 0 HG23 ILE A 55 -1.762 -8.095 4.119 1.00 49.73 H new ATOM 0 HD11 ILE A 55 -2.537 -8.207 -0.123 1.00 49.73 H new ATOM 0 HD12 ILE A 55 -1.268 -6.979 0.098 1.00 49.73 H new ATOM 0 HD13 ILE A 55 -1.204 -8.500 1.020 1.00 49.73 H new ATOM 923 N ALA A 63 -7.288 -5.516 0.119 1.00 49.53 N ATOM 924 CA ALA A 63 -7.454 -4.082 0.328 1.00 50.07 C ATOM 925 C ALA A 63 -6.323 -3.514 1.175 1.00 50.51 C ATOM 926 O ALA A 63 -5.821 -4.176 2.083 1.00 49.49 O ATOM 927 CB ALA A 63 -8.801 -3.794 0.974 1.00 49.73 C ATOM 0 HA ALA A 63 -7.420 -3.593 -0.645 1.00 50.07 H new ATOM 0 HB1 ALA A 63 -8.910 -2.720 1.124 1.00 49.73 H new ATOM 0 HB2 ALA A 63 -9.600 -4.153 0.325 1.00 49.73 H new ATOM 0 HB3 ALA A 63 -8.859 -4.302 1.936 1.00 49.73 H new ATOM 933 N ALA A 64 -5.926 -2.283 0.873 1.00 49.53 N ATOM 934 CA ALA A 64 -4.847 -1.626 1.601 1.00 50.07 C ATOM 935 C ALA A 64 -5.389 -0.774 2.742 1.00 50.51 C ATOM 936 O ALA A 64 -6.497 -0.243 2.659 1.00 49.49 O ATOM 937 CB ALA A 64 -4.007 -0.778 0.655 1.00 49.73 C ATOM 0 H ALA A 64 -6.336 -1.719 0.128 1.00 49.53 H new ATOM 0 HA ALA A 64 -4.214 -2.400 2.034 1.00 50.07 H new ATOM 0 HB1 ALA A 64 -3.206 -0.294 1.214 1.00 49.73 H new ATOM 0 HB2 ALA A 64 -3.577 -1.414 -0.119 1.00 49.73 H new ATOM 0 HB3 ALA A 64 -4.636 -0.018 0.192 1.00 49.73 H new ATOM 943 N GLY A 65 -4.604 -0.648 3.806 1.00 49.53 N ATOM 944 CA GLY A 65 -4.930 0.264 4.895 1.00 49.98 C ATOM 945 C GLY A 65 -3.672 0.878 5.495 1.00 50.51 C ATOM 946 O GLY A 65 -2.561 0.412 5.243 1.00 49.49 O ATOM 0 H GLY A 65 -3.736 -1.167 3.937 1.00 49.53 H new ATOM 0 HA2 GLY A 65 -5.584 1.055 4.527 1.00 49.98 H new ATOM 0 HA3 GLY A 65 -5.481 -0.271 5.668 1.00 49.98 H new ATOM 950 N ASN A 66 -3.852 1.927 6.290 1.00 49.53 N ATOM 951 CA ASN A 66 -2.731 2.621 6.911 1.00 50.07 C ATOM 952 C ASN A 66 -1.696 3.034 5.872 1.00 50.51 C ATOM 953 O ASN A 66 -0.494 2.857 6.075 1.00 49.49 O ATOM 954 CB ASN A 66 -2.082 1.773 7.990 1.00 49.82 C ATOM 955 CG ASN A 66 -3.013 1.405 9.111 1.00 50.55 C ATOM 956 OD1 ASN A 66 -3.530 2.273 9.825 1.00 49.45 O ATOM 957 ND2 ASN A 66 -3.165 0.122 9.323 1.00 49.38 N ATOM 0 H ASN A 66 -4.767 2.316 6.520 1.00 49.53 H new ATOM 0 HA ASN A 66 -3.129 3.521 7.379 1.00 50.07 H new ATOM 0 HB2 ASN A 66 -1.693 0.860 7.538 1.00 49.82 H new ATOM 0 HB3 ASN A 66 -1.229 2.313 8.401 1.00 49.82 H new ATOM 0 HD21 ASN A 66 -3.731 -0.202 10.107 1.00 49.38 H new ATOM 0 HD22 ASN A 66 -2.717 -0.554 8.704 1.00 49.38 H new ATOM 964 N VAL A 67 -2.169 3.583 4.759 1.00 49.53 N ATOM 965 CA VAL A 67 -1.308 3.856 3.614 1.00 50.07 C ATOM 966 C VAL A 67 -0.545 5.162 3.796 1.00 50.51 C ATOM 967 O VAL A 67 -1.141 6.213 4.035 1.00 49.49 O ATOM 968 CB VAL A 67 -2.115 3.924 2.304 1.00 49.91 C ATOM 969 CG1 VAL A 67 -1.205 4.267 1.134 1.00 49.73 C ATOM 970 CG2 VAL A 67 -2.830 2.606 2.050 1.00 49.73 C ATOM 0 H VAL A 67 -3.145 3.848 4.625 1.00 49.53 H new ATOM 0 HA VAL A 67 -0.599 3.031 3.552 1.00 50.07 H new ATOM 0 HB VAL A 67 -2.863 4.711 2.402 1.00 49.91 H new ATOM 0 HG11 VAL A 67 -1.792 4.311 0.217 1.00 49.73 H new ATOM 0 HG12 VAL A 67 -0.735 5.234 1.310 1.00 49.73 H new ATOM 0 HG13 VAL A 67 -0.435 3.502 1.036 1.00 49.73 H new ATOM 0 HG21 VAL A 67 -3.395 2.672 1.120 1.00 49.73 H new ATOM 0 HG22 VAL A 67 -2.097 1.803 1.973 1.00 49.73 H new ATOM 0 HG23 VAL A 67 -3.511 2.397 2.875 1.00 49.73 H new ATOM 980 N THR A 68 0.777 5.090 3.683 1.00 49.53 N ATOM 981 CA THR A 68 1.618 6.279 3.756 1.00 50.07 C ATOM 982 C THR A 68 2.824 6.157 2.834 1.00 50.51 C ATOM 983 O THR A 68 3.259 5.053 2.507 1.00 49.49 O ATOM 984 CB THR A 68 2.107 6.538 5.192 1.00 50.14 C ATOM 985 OG1 THR A 68 2.810 7.787 5.243 1.00 49.34 O ATOM 986 CG2 THR A 68 3.032 5.421 5.651 1.00 49.73 C ATOM 0 H THR A 68 1.290 4.220 3.540 1.00 49.53 H new ATOM 0 HA THR A 68 1.002 7.119 3.435 1.00 50.07 H new ATOM 0 HB THR A 68 1.241 6.573 5.853 1.00 50.14 H new ATOM 0 HG1 THR A 68 3.119 7.951 6.158 1.00 49.34 H new ATOM 0 HG21 THR A 68 3.368 5.622 6.668 1.00 49.73 H new ATOM 0 HG22 THR A 68 2.497 4.472 5.626 1.00 49.73 H new ATOM 0 HG23 THR A 68 3.896 5.368 4.988 1.00 49.73 H new ATOM 994 N SER A 69 3.361 7.298 2.416 1.00 49.53 N ATOM 995 CA SER A 69 4.509 7.322 1.517 1.00 50.07 C ATOM 996 C SER A 69 5.709 6.620 2.138 1.00 50.51 C ATOM 997 O SER A 69 5.971 6.757 3.332 1.00 49.49 O ATOM 998 CB SER A 69 4.860 8.751 1.156 1.00 50.05 C ATOM 999 OG SER A 69 5.992 8.825 0.332 1.00 49.34 O ATOM 0 H SER A 69 3.019 8.220 2.686 1.00 49.53 H new ATOM 0 HA SER A 69 4.240 6.784 0.608 1.00 50.07 H new ATOM 0 HB2 SER A 69 4.013 9.215 0.650 1.00 50.05 H new ATOM 0 HB3 SER A 69 5.038 9.321 2.068 1.00 50.05 H new ATOM 0 HG SER A 69 6.183 9.763 0.122 1.00 49.34 H new ATOM 1005 N LEU A 70 6.437 5.868 1.319 1.00 49.53 N ATOM 1006 CA LEU A 70 7.614 5.145 1.785 1.00 50.07 C ATOM 1007 C LEU A 70 8.805 6.080 1.951 1.00 50.51 C ATOM 1008 O LEU A 70 9.893 5.653 2.339 1.00 49.49 O ATOM 1009 CB LEU A 70 7.960 4.009 0.813 1.00 49.82 C ATOM 1010 CG LEU A 70 9.147 3.131 1.229 1.00 49.91 C ATOM 1011 CD1 LEU A 70 8.809 2.367 2.502 1.00 49.73 C ATOM 1012 CD2 LEU A 70 9.492 2.174 0.100 1.00 49.73 C ATOM 0 H LEU A 70 6.232 5.744 0.328 1.00 49.53 H new ATOM 0 HA LEU A 70 7.383 4.718 2.761 1.00 50.07 H new ATOM 0 HB2 LEU A 70 7.082 3.373 0.695 1.00 49.82 H new ATOM 0 HB3 LEU A 70 8.174 4.441 -0.164 1.00 49.82 H new ATOM 0 HG LEU A 70 10.013 3.761 1.430 1.00 49.91 H new ATOM 0 HD11 LEU A 70 9.657 1.746 2.790 1.00 49.73 H new ATOM 0 HD12 LEU A 70 8.588 3.073 3.302 1.00 49.73 H new ATOM 0 HD13 LEU A 70 7.939 1.734 2.326 1.00 49.73 H new ATOM 0 HD21 LEU A 70 10.336 1.551 0.396 1.00 49.73 H new ATOM 0 HD22 LEU A 70 8.631 1.541 -0.116 1.00 49.73 H new ATOM 0 HD23 LEU A 70 9.757 2.743 -0.791 1.00 49.73 H new