USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 630 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 23 SER OG : rot -125:sc= 1.04 USER MOD Set 1.2: A 24 THR OG1 : rot 64:sc= 1.09 USER MOD Single : A 1 SER N :NH3+ -111:sc= 0.325 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -150:sc= 2.39 (180deg=1.81) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 148:sc= -0.685 USER MOD Single : A 8 THR OG1 : rot 47:sc= 0.635 USER MOD Single : A 9 ASN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 16 LYS NZ :NH3+ 169:sc=-0.00602 (180deg=-0.151) USER MOD Single : A 19 GLN : amide:sc= -0.839 K(o=-0.84,f=0) USER MOD Single : A 20 TYR OH : rot 15:sc= 0.986 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.935 K(o=-0.94,f=-6.1!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -107:sc= -0.902 (180deg=-2.97!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0246) USER MOD Single : A 50 ASN : amide:sc= 1.11 K(o=1.1,f=-0.22) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 1.2 (180deg=1.1) USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= 0.073 (180deg=-2.49!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= 0.33 (180deg=-0.406) USER MOD Single : A 69 THR OG1 : rot -101:sc= -0.191 USER MOD Single : A 71 GLN : amide:sc= -0.98 K(o=-0.98,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.198 23.106 13.244 1.00 15.00 N ATOM 2 CA SER A 1 8.376 22.153 12.521 1.00 15.00 C ATOM 3 C SER A 1 9.194 21.751 11.306 1.00 15.00 C ATOM 4 O SER A 1 10.228 22.394 11.050 1.00 15.00 O ATOM 5 CB SER A 1 7.047 22.826 12.118 1.00 15.00 C ATOM 6 OG SER A 1 6.135 21.915 11.507 1.00 15.00 O ATOM 0 H1 SER A 1 9.517 22.681 14.138 1.00 15.00 H new ATOM 0 H2 SER A 1 10.025 23.359 12.667 1.00 15.00 H new ATOM 0 H3 SER A 1 8.642 23.961 13.446 1.00 15.00 H new ATOM 0 HA SER A 1 8.118 21.277 13.116 1.00 15.00 H new ATOM 0 HB2 SER A 1 6.582 23.262 13.002 1.00 15.00 H new ATOM 0 HB3 SER A 1 7.253 23.645 11.429 1.00 15.00 H new ATOM 0 HG SER A 1 5.309 22.387 11.272 1.00 15.00 H new ATOM 12 N LYS A 2 8.781 20.734 10.550 1.00 15.00 N ATOM 13 CA LYS A 2 9.491 20.331 9.351 1.00 15.00 C ATOM 14 C LYS A 2 8.466 19.785 8.420 1.00 15.00 C ATOM 15 O LYS A 2 7.383 19.419 8.873 1.00 15.00 O ATOM 16 CB LYS A 2 10.579 19.262 9.595 1.00 15.00 C ATOM 17 CG LYS A 2 11.736 19.708 10.465 1.00 15.00 C ATOM 18 CD LYS A 2 12.799 18.641 10.551 1.00 15.00 C ATOM 19 CE LYS A 2 13.892 19.055 11.500 1.00 15.00 C ATOM 20 NZ LYS A 2 14.933 18.042 11.599 1.00 15.00 N ATOM 0 H LYS A 2 7.952 20.175 10.754 1.00 15.00 H new ATOM 0 HA LYS A 2 10.017 21.198 8.952 1.00 15.00 H new ATOM 0 HB2 LYS A 2 10.113 18.391 10.056 1.00 15.00 H new ATOM 0 HB3 LYS A 2 10.973 18.940 8.631 1.00 15.00 H new ATOM 0 HG2 LYS A 2 12.168 20.623 10.059 1.00 15.00 H new ATOM 0 HG3 LYS A 2 11.372 19.944 11.465 1.00 15.00 H new ATOM 0 HD2 LYS A 2 12.355 17.704 10.887 1.00 15.00 H new ATOM 0 HD3 LYS A 2 13.219 18.458 9.562 1.00 15.00 H new ATOM 0 HE2 LYS A 2 14.330 19.995 11.163 1.00 15.00 H new ATOM 0 HE3 LYS A 2 13.467 19.237 12.487 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 15.361 18.076 12.546 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 14.519 17.102 11.440 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 15.664 18.224 10.882 1.00 15.00 H new ATOM 34 N TRP A 3 8.760 19.771 7.167 1.00 15.00 N ATOM 35 CA TRP A 3 7.913 19.167 6.185 1.00 15.00 C ATOM 36 C TRP A 3 8.812 18.454 5.212 1.00 15.00 C ATOM 37 O TRP A 3 9.475 19.060 4.389 1.00 15.00 O ATOM 38 CB TRP A 3 6.959 20.155 5.498 1.00 15.00 C ATOM 39 CG TRP A 3 5.998 19.449 4.600 1.00 15.00 C ATOM 40 CD1 TRP A 3 5.032 18.583 4.991 1.00 15.00 C ATOM 41 CD2 TRP A 3 5.898 19.549 3.181 1.00 15.00 C ATOM 42 NE1 TRP A 3 4.368 18.086 3.904 1.00 15.00 N ATOM 43 CE2 TRP A 3 4.867 18.678 2.778 1.00 15.00 C ATOM 44 CE3 TRP A 3 6.583 20.277 2.210 1.00 15.00 C ATOM 45 CZ2 TRP A 3 4.507 18.518 1.447 1.00 15.00 C ATOM 46 CZ3 TRP A 3 6.220 20.120 0.890 1.00 15.00 C ATOM 47 CH2 TRP A 3 5.193 19.248 0.521 1.00 15.00 C ATOM 0 H TRP A 3 9.610 20.185 6.784 1.00 15.00 H new ATOM 0 HA TRP A 3 7.237 18.463 6.670 1.00 15.00 H new ATOM 0 HB2 TRP A 3 6.409 20.716 6.253 1.00 15.00 H new ATOM 0 HB3 TRP A 3 7.535 20.878 4.920 1.00 15.00 H new ATOM 0 HD1 TRP A 3 4.817 18.322 6.017 1.00 15.00 H new ATOM 0 HE1 TRP A 3 3.624 17.389 3.929 1.00 15.00 H new ATOM 0 HE3 TRP A 3 7.381 20.950 2.486 1.00 15.00 H new ATOM 0 HZ2 TRP A 3 3.716 17.843 1.156 1.00 15.00 H new ATOM 0 HZ3 TRP A 3 6.739 20.681 0.127 1.00 15.00 H new ATOM 0 HH2 TRP A 3 4.936 19.149 -0.523 1.00 15.00 H new ATOM 58 N ILE A 4 8.855 17.159 5.401 1.00 15.00 N ATOM 59 CA ILE A 4 9.697 16.190 4.686 1.00 15.00 C ATOM 60 C ILE A 4 8.799 15.262 3.885 1.00 15.00 C ATOM 61 O ILE A 4 7.618 15.562 3.695 1.00 15.00 O ATOM 62 CB ILE A 4 10.477 15.336 5.703 1.00 15.00 C ATOM 63 CG1 ILE A 4 9.466 14.574 6.611 1.00 15.00 C ATOM 64 CG2 ILE A 4 11.393 16.231 6.533 1.00 15.00 C ATOM 65 CD1 ILE A 4 10.068 13.529 7.510 1.00 15.00 C ATOM 0 H ILE A 4 8.269 16.708 6.103 1.00 15.00 H new ATOM 0 HA ILE A 4 10.389 16.722 4.034 1.00 15.00 H new ATOM 0 HB ILE A 4 11.098 14.607 5.182 1.00 15.00 H new ATOM 0 HG12 ILE A 4 8.939 15.301 7.229 1.00 15.00 H new ATOM 0 HG13 ILE A 4 8.721 14.096 5.975 1.00 15.00 H new ATOM 0 HG21 ILE A 4 11.943 15.623 7.251 1.00 15.00 H new ATOM 0 HG22 ILE A 4 12.097 16.741 5.875 1.00 15.00 H new ATOM 0 HG23 ILE A 4 10.794 16.970 7.066 1.00 15.00 H new ATOM 0 HD11 ILE A 4 9.281 13.059 8.099 1.00 15.00 H new ATOM 0 HD12 ILE A 4 10.569 12.773 6.905 1.00 15.00 H new ATOM 0 HD13 ILE A 4 10.791 13.997 8.178 1.00 15.00 H new ATOM 77 N LYS A 5 9.333 14.105 3.460 1.00 15.00 N ATOM 78 CA LYS A 5 8.582 13.204 2.646 1.00 15.00 C ATOM 79 C LYS A 5 9.047 11.777 3.066 1.00 15.00 C ATOM 80 O LYS A 5 9.551 11.617 4.186 1.00 15.00 O ATOM 81 CB LYS A 5 8.779 13.493 1.144 1.00 15.00 C ATOM 82 CG LYS A 5 7.706 12.871 0.235 1.00 15.00 C ATOM 83 CD LYS A 5 7.973 13.155 -1.223 1.00 15.00 C ATOM 84 CE LYS A 5 6.896 12.555 -2.096 1.00 15.00 C ATOM 85 NZ LYS A 5 7.169 12.769 -3.527 1.00 15.00 N ATOM 0 H LYS A 5 10.280 13.795 3.679 1.00 15.00 H new ATOM 0 HA LYS A 5 7.508 13.314 2.797 1.00 15.00 H new ATOM 0 HB2 LYS A 5 8.787 14.572 0.991 1.00 15.00 H new ATOM 0 HB3 LYS A 5 9.757 13.121 0.839 1.00 15.00 H new ATOM 0 HG2 LYS A 5 7.674 11.793 0.395 1.00 15.00 H new ATOM 0 HG3 LYS A 5 6.726 13.263 0.508 1.00 15.00 H new ATOM 0 HD2 LYS A 5 8.020 14.232 -1.385 1.00 15.00 H new ATOM 0 HD3 LYS A 5 8.944 12.748 -1.505 1.00 15.00 H new ATOM 0 HE2 LYS A 5 6.820 11.486 -1.896 1.00 15.00 H new ATOM 0 HE3 LYS A 5 5.933 12.996 -1.840 1.00 15.00 H new ATOM 0 HZ1 LYS A 5 6.408 12.343 -4.093 1.00 15.00 H new ATOM 0 HZ2 LYS A 5 7.216 13.789 -3.723 1.00 15.00 H new ATOM 0 HZ3 LYS A 5 8.076 12.326 -3.777 1.00 15.00 H new ATOM 99 N PHE A 6 8.960 10.811 2.154 1.00 15.00 N ATOM 100 CA PHE A 6 9.205 9.422 2.479 1.00 15.00 C ATOM 101 C PHE A 6 9.075 8.484 1.274 1.00 15.00 C ATOM 102 O PHE A 6 9.084 8.902 0.109 1.00 15.00 O ATOM 103 CB PHE A 6 8.052 9.013 3.449 1.00 15.00 C ATOM 104 CG PHE A 6 8.520 8.279 4.699 1.00 15.00 C ATOM 105 CD1 PHE A 6 9.014 8.988 5.785 1.00 15.00 C ATOM 106 CD2 PHE A 6 8.472 6.895 4.783 1.00 15.00 C ATOM 107 CE1 PHE A 6 9.447 8.337 6.923 1.00 15.00 C ATOM 108 CE2 PHE A 6 8.905 6.237 5.919 1.00 15.00 C ATOM 109 CZ PHE A 6 9.393 6.960 6.990 1.00 15.00 C ATOM 0 H PHE A 6 8.719 10.975 1.177 1.00 15.00 H new ATOM 0 HA PHE A 6 10.216 9.335 2.876 1.00 15.00 H new ATOM 0 HB2 PHE A 6 7.509 9.909 3.749 1.00 15.00 H new ATOM 0 HB3 PHE A 6 7.347 8.379 2.911 1.00 15.00 H new ATOM 0 HD1 PHE A 6 9.060 10.066 5.739 1.00 15.00 H new ATOM 0 HD2 PHE A 6 8.091 6.324 3.949 1.00 15.00 H new ATOM 0 HE1 PHE A 6 9.827 8.905 7.759 1.00 15.00 H new ATOM 0 HE2 PHE A 6 8.862 5.159 5.969 1.00 15.00 H new ATOM 0 HZ PHE A 6 9.732 6.448 7.879 1.00 15.00 H new ATOM 119 N THR A 7 8.937 7.223 1.600 1.00 15.00 N ATOM 120 CA THR A 7 8.463 6.165 0.774 1.00 15.00 C ATOM 121 C THR A 7 6.924 6.221 0.861 1.00 15.00 C ATOM 122 O THR A 7 6.390 6.393 1.957 1.00 15.00 O ATOM 123 CB THR A 7 8.812 4.859 1.495 1.00 15.00 C ATOM 124 OG1 THR A 7 10.209 4.785 1.805 1.00 15.00 O ATOM 125 CG2 THR A 7 8.334 3.651 0.711 1.00 15.00 C ATOM 0 H THR A 7 9.178 6.893 2.535 1.00 15.00 H new ATOM 0 HA THR A 7 8.862 6.232 -0.238 1.00 15.00 H new ATOM 0 HB THR A 7 8.279 4.853 2.446 1.00 15.00 H new ATOM 0 HG1 THR A 7 10.333 4.283 2.637 1.00 15.00 H new ATOM 0 HG21 THR A 7 8.597 2.740 1.249 1.00 15.00 H new ATOM 0 HG22 THR A 7 7.252 3.701 0.590 1.00 15.00 H new ATOM 0 HG23 THR A 7 8.809 3.643 -0.270 1.00 15.00 H new ATOM 133 N THR A 8 6.212 6.062 -0.233 1.00 15.00 N ATOM 134 CA THR A 8 4.782 5.965 -0.174 1.00 15.00 C ATOM 135 C THR A 8 4.446 4.656 -0.950 1.00 15.00 C ATOM 136 O THR A 8 4.235 4.695 -2.156 1.00 15.00 O ATOM 137 CB THR A 8 4.152 7.228 -0.873 1.00 15.00 C ATOM 138 OG1 THR A 8 4.689 7.396 -2.192 1.00 15.00 O ATOM 139 CG2 THR A 8 4.431 8.493 -0.065 1.00 15.00 C ATOM 0 H THR A 8 6.606 5.998 -1.172 1.00 15.00 H new ATOM 0 HA THR A 8 4.388 5.934 0.842 1.00 15.00 H new ATOM 0 HB THR A 8 3.076 7.066 -0.933 1.00 15.00 H new ATOM 0 HG1 THR A 8 4.679 6.536 -2.661 1.00 15.00 H new ATOM 0 HG21 THR A 8 3.986 9.352 -0.568 1.00 15.00 H new ATOM 0 HG22 THR A 8 3.999 8.392 0.931 1.00 15.00 H new ATOM 0 HG23 THR A 8 5.508 8.640 0.020 1.00 15.00 H new ATOM 147 N ASN A 9 4.498 3.500 -0.282 1.00 15.00 N ATOM 148 CA ASN A 9 4.500 2.208 -1.008 1.00 15.00 C ATOM 149 C ASN A 9 4.045 1.012 -0.173 1.00 15.00 C ATOM 150 O ASN A 9 2.981 0.436 -0.399 1.00 15.00 O ATOM 151 CB ASN A 9 5.993 1.938 -1.412 1.00 15.00 C ATOM 152 CG ASN A 9 6.237 0.617 -2.168 1.00 15.00 C ATOM 153 OD1 ASN A 9 7.295 0.018 -2.036 1.00 15.00 O ATOM 154 ND2 ASN A 9 5.298 0.180 -2.972 1.00 15.00 N ATOM 0 H ASN A 9 4.539 3.422 0.734 1.00 15.00 H new ATOM 0 HA ASN A 9 3.803 2.297 -1.841 1.00 15.00 H new ATOM 0 HB2 ASN A 9 6.340 2.764 -2.033 1.00 15.00 H new ATOM 0 HB3 ASN A 9 6.604 1.940 -0.509 1.00 15.00 H new ATOM 0 HD21 ASN A 9 5.441 -0.678 -3.505 1.00 15.00 H new ATOM 0 HD22 ASN A 9 4.424 0.698 -3.065 1.00 15.00 H new ATOM 161 N LEU A 10 4.896 0.645 0.758 1.00 15.00 N ATOM 162 CA LEU A 10 4.770 -0.485 1.669 1.00 15.00 C ATOM 163 C LEU A 10 3.662 -0.353 2.699 1.00 15.00 C ATOM 164 O LEU A 10 2.811 0.511 2.614 1.00 15.00 O ATOM 165 CB LEU A 10 6.133 -0.726 2.327 1.00 15.00 C ATOM 166 CG LEU A 10 7.267 -1.048 1.339 1.00 15.00 C ATOM 167 CD1 LEU A 10 8.560 -1.301 2.066 1.00 15.00 C ATOM 168 CD2 LEU A 10 6.904 -2.256 0.475 1.00 15.00 C ATOM 0 H LEU A 10 5.761 1.163 0.915 1.00 15.00 H new ATOM 0 HA LEU A 10 4.468 -1.350 1.078 1.00 15.00 H new ATOM 0 HB2 LEU A 10 6.408 0.159 2.901 1.00 15.00 H new ATOM 0 HB3 LEU A 10 6.040 -1.549 3.036 1.00 15.00 H new ATOM 0 HG LEU A 10 7.401 -0.182 0.691 1.00 15.00 H new ATOM 0 HD11 LEU A 10 9.345 -1.526 1.344 1.00 15.00 H new ATOM 0 HD12 LEU A 10 8.836 -0.415 2.637 1.00 15.00 H new ATOM 0 HD13 LEU A 10 8.437 -2.146 2.744 1.00 15.00 H new ATOM 0 HD21 LEU A 10 7.720 -2.467 -0.217 1.00 15.00 H new ATOM 0 HD22 LEU A 10 6.737 -3.123 1.114 1.00 15.00 H new ATOM 0 HD23 LEU A 10 5.996 -2.040 -0.089 1.00 15.00 H new ATOM 180 N THR A 11 3.694 -1.245 3.671 1.00 15.00 N ATOM 181 CA THR A 11 2.635 -1.521 4.526 1.00 15.00 C ATOM 182 C THR A 11 3.220 -1.997 5.836 1.00 15.00 C ATOM 183 O THR A 11 2.723 -1.641 6.887 1.00 15.00 O ATOM 184 CB THR A 11 1.664 -2.551 3.900 1.00 15.00 C ATOM 185 OG1 THR A 11 2.337 -3.236 2.822 1.00 15.00 O ATOM 186 CG2 THR A 11 0.413 -1.867 3.363 1.00 15.00 C ATOM 0 H THR A 11 4.521 -1.809 3.867 1.00 15.00 H new ATOM 0 HA THR A 11 2.037 -0.627 4.702 1.00 15.00 H new ATOM 0 HB THR A 11 1.362 -3.261 4.670 1.00 15.00 H new ATOM 0 HG1 THR A 11 1.729 -3.892 2.421 1.00 15.00 H new ATOM 0 HG21 THR A 11 -0.252 -2.614 2.929 1.00 15.00 H new ATOM 0 HG22 THR A 11 -0.099 -1.354 4.177 1.00 15.00 H new ATOM 0 HG23 THR A 11 0.694 -1.143 2.598 1.00 15.00 H new ATOM 194 N PRO A 12 4.301 -2.836 5.838 1.00 15.00 N ATOM 195 CA PRO A 12 4.950 -3.122 7.058 1.00 15.00 C ATOM 196 C PRO A 12 6.232 -2.278 7.256 1.00 15.00 C ATOM 197 O PRO A 12 7.244 -2.774 7.749 1.00 15.00 O ATOM 198 CB PRO A 12 5.231 -4.620 6.985 1.00 15.00 C ATOM 199 CG PRO A 12 5.223 -4.963 5.514 1.00 15.00 C ATOM 200 CD PRO A 12 4.846 -3.706 4.765 1.00 15.00 C ATOM 0 HA PRO A 12 4.340 -2.864 7.924 1.00 15.00 H new ATOM 0 HB2 PRO A 12 6.192 -4.861 7.439 1.00 15.00 H new ATOM 0 HB3 PRO A 12 4.473 -5.188 7.524 1.00 15.00 H new ATOM 0 HG2 PRO A 12 6.203 -5.321 5.197 1.00 15.00 H new ATOM 0 HG3 PRO A 12 4.510 -5.762 5.309 1.00 15.00 H new ATOM 0 HD2 PRO A 12 5.708 -3.253 4.275 1.00 15.00 H new ATOM 0 HD3 PRO A 12 4.106 -3.904 3.989 1.00 15.00 H new ATOM 208 N GLU A 13 6.160 -1.004 6.924 1.00 15.00 N ATOM 209 CA GLU A 13 7.310 -0.161 6.977 1.00 15.00 C ATOM 210 C GLU A 13 7.362 0.685 8.245 1.00 15.00 C ATOM 211 O GLU A 13 6.516 1.548 8.473 1.00 15.00 O ATOM 212 CB GLU A 13 7.395 0.723 5.731 1.00 15.00 C ATOM 213 CG GLU A 13 8.669 1.539 5.681 1.00 15.00 C ATOM 214 CD GLU A 13 9.875 0.645 5.770 1.00 15.00 C ATOM 215 OE1 GLU A 13 10.232 0.024 4.770 1.00 15.00 O ATOM 216 OE2 GLU A 13 10.454 0.511 6.871 1.00 15.00 O ATOM 0 H GLU A 13 5.306 -0.540 6.615 1.00 15.00 H new ATOM 0 HA GLU A 13 8.179 -0.818 7.001 1.00 15.00 H new ATOM 0 HB2 GLU A 13 7.334 0.097 4.841 1.00 15.00 H new ATOM 0 HB3 GLU A 13 6.537 1.395 5.707 1.00 15.00 H new ATOM 0 HG2 GLU A 13 8.703 2.113 4.755 1.00 15.00 H new ATOM 0 HG3 GLU A 13 8.680 2.256 6.502 1.00 15.00 H new ATOM 223 N GLU A 14 8.377 0.409 9.024 1.00 15.00 N ATOM 224 CA GLU A 14 8.727 1.135 10.263 1.00 15.00 C ATOM 225 C GLU A 14 10.225 0.969 10.528 1.00 15.00 C ATOM 226 O GLU A 14 10.751 1.509 11.503 1.00 15.00 O ATOM 227 CB GLU A 14 7.962 0.643 11.496 1.00 15.00 C ATOM 228 CG GLU A 14 6.466 0.861 11.512 1.00 15.00 C ATOM 229 CD GLU A 14 5.856 0.264 12.742 1.00 15.00 C ATOM 230 OE1 GLU A 14 5.811 0.939 13.801 1.00 15.00 O ATOM 231 OE2 GLU A 14 5.439 -0.911 12.693 1.00 15.00 O ATOM 0 H GLU A 14 9.021 -0.356 8.822 1.00 15.00 H new ATOM 0 HA GLU A 14 8.452 2.178 10.105 1.00 15.00 H new ATOM 0 HB2 GLU A 14 8.149 -0.425 11.606 1.00 15.00 H new ATOM 0 HB3 GLU A 14 8.384 1.133 12.373 1.00 15.00 H new ATOM 0 HG2 GLU A 14 6.249 1.928 11.474 1.00 15.00 H new ATOM 0 HG3 GLU A 14 6.019 0.413 10.625 1.00 15.00 H new ATOM 238 N ALA A 15 10.922 0.307 9.625 1.00 15.00 N ATOM 239 CA ALA A 15 12.293 -0.108 9.936 1.00 15.00 C ATOM 240 C ALA A 15 13.360 0.942 9.608 1.00 15.00 C ATOM 241 O ALA A 15 14.533 0.753 9.922 1.00 15.00 O ATOM 242 CB ALA A 15 12.636 -1.505 9.464 1.00 15.00 C ATOM 0 H ALA A 15 10.585 0.048 8.698 1.00 15.00 H new ATOM 0 HA ALA A 15 12.311 -0.175 11.024 1.00 15.00 H new ATOM 0 HB1 ALA A 15 13.667 -1.737 9.732 1.00 15.00 H new ATOM 0 HB2 ALA A 15 11.968 -2.224 9.938 1.00 15.00 H new ATOM 0 HB3 ALA A 15 12.521 -1.562 8.382 1.00 15.00 H new ATOM 248 N LYS A 16 12.973 2.036 9.002 1.00 15.00 N ATOM 249 CA LYS A 16 13.938 3.098 8.734 1.00 15.00 C ATOM 250 C LYS A 16 14.201 3.969 9.968 1.00 15.00 C ATOM 251 O LYS A 16 15.245 3.826 10.619 1.00 15.00 O ATOM 252 CB LYS A 16 13.557 3.945 7.501 1.00 15.00 C ATOM 253 CG LYS A 16 13.945 3.326 6.151 1.00 15.00 C ATOM 254 CD LYS A 16 13.255 1.997 5.884 1.00 15.00 C ATOM 255 CE LYS A 16 13.661 1.417 4.543 1.00 15.00 C ATOM 256 NZ LYS A 16 15.110 1.112 4.462 1.00 15.00 N ATOM 0 H LYS A 16 12.021 2.223 8.687 1.00 15.00 H new ATOM 0 HA LYS A 16 14.878 2.601 8.492 1.00 15.00 H new ATOM 0 HB2 LYS A 16 12.480 4.113 7.512 1.00 15.00 H new ATOM 0 HB3 LYS A 16 14.033 4.922 7.587 1.00 15.00 H new ATOM 0 HG2 LYS A 16 13.696 4.025 5.353 1.00 15.00 H new ATOM 0 HG3 LYS A 16 15.025 3.180 6.122 1.00 15.00 H new ATOM 0 HD2 LYS A 16 13.504 1.291 6.677 1.00 15.00 H new ATOM 0 HD3 LYS A 16 12.174 2.136 5.909 1.00 15.00 H new ATOM 0 HE2 LYS A 16 13.092 0.506 4.360 1.00 15.00 H new ATOM 0 HE3 LYS A 16 13.398 2.121 3.754 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 15.300 0.552 3.606 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 15.650 2.000 4.422 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 15.398 0.570 5.301 1.00 15.00 H new ATOM 270 N ILE A 17 13.255 4.838 10.317 1.00 15.00 N ATOM 271 CA ILE A 17 13.358 5.765 11.463 1.00 15.00 C ATOM 272 C ILE A 17 13.502 5.072 12.851 1.00 15.00 C ATOM 273 O ILE A 17 14.029 5.703 13.768 1.00 15.00 O ATOM 274 CB ILE A 17 12.203 6.842 11.446 1.00 15.00 C ATOM 275 CG1 ILE A 17 12.194 7.624 10.116 1.00 15.00 C ATOM 276 CG2 ILE A 17 12.281 7.823 12.623 1.00 15.00 C ATOM 277 CD1 ILE A 17 13.494 8.335 9.795 1.00 15.00 C ATOM 0 H ILE A 17 12.376 4.926 9.808 1.00 15.00 H new ATOM 0 HA ILE A 17 14.305 6.286 11.323 1.00 15.00 H new ATOM 0 HB ILE A 17 11.272 6.285 11.547 1.00 15.00 H new ATOM 0 HG12 ILE A 17 11.963 6.934 9.305 1.00 15.00 H new ATOM 0 HG13 ILE A 17 11.390 8.360 10.147 1.00 15.00 H new ATOM 0 HG21 ILE A 17 11.461 8.538 12.556 1.00 15.00 H new ATOM 0 HG22 ILE A 17 12.206 7.273 13.561 1.00 15.00 H new ATOM 0 HG23 ILE A 17 13.231 8.356 12.590 1.00 15.00 H new ATOM 0 HD11 ILE A 17 13.397 8.858 8.844 1.00 15.00 H new ATOM 0 HD12 ILE A 17 13.720 9.054 10.583 1.00 15.00 H new ATOM 0 HD13 ILE A 17 14.301 7.605 9.727 1.00 15.00 H new ATOM 289 N VAL A 18 13.083 3.824 13.022 1.00 15.00 N ATOM 290 CA VAL A 18 13.227 3.182 14.353 1.00 15.00 C ATOM 291 C VAL A 18 14.718 3.195 14.845 1.00 15.00 C ATOM 292 O VAL A 18 15.012 3.575 15.982 1.00 15.00 O ATOM 293 CB VAL A 18 12.622 1.726 14.370 1.00 15.00 C ATOM 294 CG1 VAL A 18 13.369 0.763 13.453 1.00 15.00 C ATOM 295 CG2 VAL A 18 12.550 1.174 15.784 1.00 15.00 C ATOM 0 H VAL A 18 12.656 3.244 12.299 1.00 15.00 H new ATOM 0 HA VAL A 18 12.648 3.778 15.059 1.00 15.00 H new ATOM 0 HB VAL A 18 11.608 1.813 13.979 1.00 15.00 H new ATOM 0 HG11 VAL A 18 12.907 -0.223 13.507 1.00 15.00 H new ATOM 0 HG12 VAL A 18 13.325 1.129 12.427 1.00 15.00 H new ATOM 0 HG13 VAL A 18 14.410 0.694 13.769 1.00 15.00 H new ATOM 0 HG21 VAL A 18 12.129 0.169 15.761 1.00 15.00 H new ATOM 0 HG22 VAL A 18 13.552 1.138 16.212 1.00 15.00 H new ATOM 0 HG23 VAL A 18 11.918 1.819 16.395 1.00 15.00 H new ATOM 305 N GLN A 19 15.630 2.846 13.950 1.00 15.00 N ATOM 306 CA GLN A 19 17.081 2.879 14.238 1.00 15.00 C ATOM 307 C GLN A 19 17.628 4.341 14.257 1.00 15.00 C ATOM 308 O GLN A 19 18.730 4.578 14.754 1.00 15.00 O ATOM 309 CB GLN A 19 17.889 1.964 13.334 1.00 15.00 C ATOM 310 CG GLN A 19 17.487 0.499 13.390 1.00 15.00 C ATOM 311 CD GLN A 19 18.318 -0.394 12.468 1.00 15.00 C ATOM 312 OE1 GLN A 19 18.517 -1.570 12.745 1.00 15.00 O ATOM 313 NE2 GLN A 19 18.800 0.143 11.370 1.00 15.00 N ATOM 0 H GLN A 19 15.402 2.532 13.007 1.00 15.00 H new ATOM 0 HA GLN A 19 17.208 2.476 15.243 1.00 15.00 H new ATOM 0 HB2 GLN A 19 17.793 2.314 12.306 1.00 15.00 H new ATOM 0 HB3 GLN A 19 18.942 2.048 13.602 1.00 15.00 H new ATOM 0 HG2 GLN A 19 17.585 0.142 14.415 1.00 15.00 H new ATOM 0 HG3 GLN A 19 16.435 0.408 13.120 1.00 15.00 H new ATOM 0 HE21 GLN A 19 18.620 1.125 11.161 1.00 15.00 H new ATOM 0 HE22 GLN A 19 19.354 -0.422 10.726 1.00 15.00 H new ATOM 322 N TYR A 20 16.888 5.263 13.694 1.00 15.00 N ATOM 323 CA TYR A 20 17.281 6.663 13.635 1.00 15.00 C ATOM 324 C TYR A 20 17.391 7.404 15.006 1.00 15.00 C ATOM 325 O TYR A 20 18.489 7.470 15.544 1.00 15.00 O ATOM 326 CB TYR A 20 16.384 7.440 12.646 1.00 15.00 C ATOM 327 CG TYR A 20 16.939 8.799 12.330 1.00 15.00 C ATOM 328 CD1 TYR A 20 18.271 8.925 11.978 1.00 15.00 C ATOM 329 CD2 TYR A 20 16.173 9.949 12.417 1.00 15.00 C ATOM 330 CE1 TYR A 20 18.821 10.131 11.721 1.00 15.00 C ATOM 331 CE2 TYR A 20 16.735 11.185 12.160 1.00 15.00 C ATOM 332 CZ TYR A 20 18.065 11.262 11.810 1.00 15.00 C ATOM 333 OH TYR A 20 18.660 12.480 11.580 1.00 15.00 O ATOM 0 H TYR A 20 15.987 5.069 13.258 1.00 15.00 H new ATOM 0 HA TYR A 20 18.308 6.643 13.269 1.00 15.00 H new ATOM 0 HB2 TYR A 20 16.281 6.868 11.724 1.00 15.00 H new ATOM 0 HB3 TYR A 20 15.385 7.546 13.069 1.00 15.00 H new ATOM 0 HD1 TYR A 20 18.885 8.039 11.907 1.00 15.00 H new ATOM 0 HD2 TYR A 20 15.130 9.880 12.687 1.00 15.00 H new ATOM 0 HE1 TYR A 20 19.863 10.200 11.444 1.00 15.00 H new ATOM 0 HE2 TYR A 20 16.137 12.082 12.233 1.00 15.00 H new ATOM 0 HH TYR A 20 19.527 12.343 11.145 1.00 15.00 H new ATOM 343 N GLU A 21 16.307 8.023 15.538 1.00 15.00 N ATOM 344 CA GLU A 21 16.457 8.740 16.832 1.00 15.00 C ATOM 345 C GLU A 21 15.957 8.038 18.093 1.00 15.00 C ATOM 346 O GLU A 21 16.484 8.234 19.178 1.00 15.00 O ATOM 347 CB GLU A 21 15.977 10.201 16.771 1.00 15.00 C ATOM 348 CG GLU A 21 16.833 11.025 15.809 1.00 15.00 C ATOM 349 CD GLU A 21 16.754 12.529 16.005 1.00 15.00 C ATOM 350 OE1 GLU A 21 15.703 13.052 16.383 1.00 15.00 O ATOM 351 OE2 GLU A 21 17.809 13.200 15.815 1.00 15.00 O ATOM 0 H GLU A 21 15.375 8.044 15.124 1.00 15.00 H new ATOM 0 HA GLU A 21 17.540 8.729 16.955 1.00 15.00 H new ATOM 0 HB2 GLU A 21 14.935 10.231 16.452 1.00 15.00 H new ATOM 0 HB3 GLU A 21 16.018 10.642 17.767 1.00 15.00 H new ATOM 0 HG2 GLU A 21 17.872 10.714 15.915 1.00 15.00 H new ATOM 0 HG3 GLU A 21 16.532 10.791 14.788 1.00 15.00 H new ATOM 358 N LEU A 22 14.908 7.238 17.951 1.00 15.00 N ATOM 359 CA LEU A 22 14.360 6.430 19.079 1.00 15.00 C ATOM 360 C LEU A 22 15.386 5.437 19.585 1.00 15.00 C ATOM 361 O LEU A 22 15.239 4.893 20.692 1.00 15.00 O ATOM 362 CB LEU A 22 12.956 5.813 18.850 1.00 15.00 C ATOM 363 CG LEU A 22 12.644 5.158 17.500 1.00 15.00 C ATOM 364 CD1 LEU A 22 11.461 4.234 17.665 1.00 15.00 C ATOM 365 CD2 LEU A 22 12.281 6.219 16.462 1.00 15.00 C ATOM 0 H LEU A 22 14.406 7.118 17.071 1.00 15.00 H new ATOM 0 HA LEU A 22 14.165 7.147 19.877 1.00 15.00 H new ATOM 0 HB2 LEU A 22 12.796 5.063 19.625 1.00 15.00 H new ATOM 0 HB3 LEU A 22 12.220 6.601 19.012 1.00 15.00 H new ATOM 0 HG LEU A 22 13.524 4.609 17.165 1.00 15.00 H new ATOM 0 HD11 LEU A 22 11.231 3.763 16.709 1.00 15.00 H new ATOM 0 HD12 LEU A 22 11.699 3.465 18.400 1.00 15.00 H new ATOM 0 HD13 LEU A 22 10.597 4.806 18.005 1.00 15.00 H new ATOM 0 HD21 LEU A 22 12.062 5.736 15.509 1.00 15.00 H new ATOM 0 HD22 LEU A 22 11.404 6.772 16.798 1.00 15.00 H new ATOM 0 HD23 LEU A 22 13.117 6.907 16.337 1.00 15.00 H new ATOM 377 N SER A 23 16.327 5.133 18.715 1.00 15.00 N ATOM 378 CA SER A 23 17.609 4.562 19.126 1.00 15.00 C ATOM 379 C SER A 23 18.021 5.059 20.566 1.00 15.00 C ATOM 380 O SER A 23 18.346 4.263 21.456 1.00 15.00 O ATOM 381 CB SER A 23 18.677 5.093 18.137 1.00 15.00 C ATOM 382 OG SER A 23 18.734 6.505 18.123 1.00 15.00 O ATOM 0 H SER A 23 16.234 5.270 17.709 1.00 15.00 H new ATOM 0 HA SER A 23 17.533 3.475 19.133 1.00 15.00 H new ATOM 0 HB2 SER A 23 19.654 4.694 18.411 1.00 15.00 H new ATOM 0 HB3 SER A 23 18.454 4.730 17.134 1.00 15.00 H new ATOM 0 HG SER A 23 18.615 6.828 17.206 1.00 15.00 H new ATOM 388 N THR A 24 17.944 6.387 20.783 1.00 15.00 N ATOM 389 CA THR A 24 18.209 7.005 22.061 1.00 15.00 C ATOM 390 C THR A 24 16.934 7.586 22.747 1.00 15.00 C ATOM 391 O THR A 24 16.607 7.178 23.870 1.00 15.00 O ATOM 392 CB THR A 24 19.293 8.088 21.921 1.00 15.00 C ATOM 393 OG1 THR A 24 19.098 8.807 20.687 1.00 15.00 O ATOM 394 CG2 THR A 24 20.683 7.472 21.941 1.00 15.00 C ATOM 0 H THR A 24 17.691 7.054 20.054 1.00 15.00 H new ATOM 0 HA THR A 24 18.571 6.213 22.716 1.00 15.00 H new ATOM 0 HB THR A 24 19.210 8.773 22.765 1.00 15.00 H new ATOM 0 HG1 THR A 24 18.237 9.274 20.713 1.00 15.00 H new ATOM 0 HG21 THR A 24 21.431 8.258 21.840 1.00 15.00 H new ATOM 0 HG22 THR A 24 20.834 6.946 22.883 1.00 15.00 H new ATOM 0 HG23 THR A 24 20.782 6.770 21.113 1.00 15.00 H new ATOM 402 N ARG A 25 16.225 8.494 22.032 1.00 15.00 N ATOM 403 CA ARG A 25 15.027 9.257 22.539 1.00 15.00 C ATOM 404 C ARG A 25 15.494 10.551 23.234 1.00 15.00 C ATOM 405 O ARG A 25 16.655 10.681 23.551 1.00 15.00 O ATOM 406 CB ARG A 25 14.043 8.435 23.424 1.00 15.00 C ATOM 407 CG ARG A 25 13.348 7.253 22.734 1.00 15.00 C ATOM 408 CD ARG A 25 12.441 6.523 23.702 1.00 15.00 C ATOM 409 NE ARG A 25 11.764 5.357 23.108 1.00 15.00 N ATOM 410 CZ ARG A 25 11.566 4.192 23.745 1.00 15.00 C ATOM 411 NH1 ARG A 25 12.090 3.988 24.958 1.00 15.00 N ATOM 412 NH2 ARG A 25 10.856 3.236 23.165 1.00 15.00 N ATOM 0 H ARG A 25 16.463 8.730 21.069 1.00 15.00 H new ATOM 0 HA ARG A 25 14.429 9.506 21.662 1.00 15.00 H new ATOM 0 HB2 ARG A 25 14.591 8.056 24.287 1.00 15.00 H new ATOM 0 HB3 ARG A 25 13.277 9.110 23.805 1.00 15.00 H new ATOM 0 HG2 ARG A 25 12.767 7.612 21.885 1.00 15.00 H new ATOM 0 HG3 ARG A 25 14.096 6.565 22.340 1.00 15.00 H new ATOM 0 HD2 ARG A 25 13.028 6.194 24.560 1.00 15.00 H new ATOM 0 HD3 ARG A 25 11.689 7.217 24.077 1.00 15.00 H new ATOM 0 HE ARG A 25 11.423 5.440 22.150 1.00 15.00 H new ATOM 0 HH11 ARG A 25 12.643 4.720 25.404 1.00 15.00 H new ATOM 0 HH12 ARG A 25 11.936 3.101 25.437 1.00 15.00 H new ATOM 0 HH21 ARG A 25 10.461 3.386 22.237 1.00 15.00 H new ATOM 0 HH22 ARG A 25 10.704 2.350 23.647 1.00 15.00 H new ATOM 426 N ASP A 26 14.532 11.472 23.482 1.00 15.00 N ATOM 427 CA ASP A 26 14.720 12.876 23.983 1.00 15.00 C ATOM 428 C ASP A 26 15.064 13.889 22.894 1.00 15.00 C ATOM 429 O ASP A 26 14.686 15.055 22.999 1.00 15.00 O ATOM 430 CB ASP A 26 15.702 13.027 25.237 1.00 15.00 C ATOM 431 CG ASP A 26 17.193 13.276 24.984 1.00 15.00 C ATOM 432 OD1 ASP A 26 17.564 14.315 24.417 1.00 15.00 O ATOM 433 OD2 ASP A 26 18.024 12.470 25.448 1.00 15.00 O ATOM 0 H ASP A 26 13.547 11.254 23.333 1.00 15.00 H new ATOM 0 HA ASP A 26 13.724 13.122 24.350 1.00 15.00 H new ATOM 0 HB2 ASP A 26 15.330 13.848 25.850 1.00 15.00 H new ATOM 0 HB3 ASP A 26 15.616 12.119 25.834 1.00 15.00 H new ATOM 438 N GLU A 27 15.691 13.442 21.816 1.00 15.00 N ATOM 439 CA GLU A 27 16.054 14.385 20.733 1.00 15.00 C ATOM 440 C GLU A 27 14.934 14.622 19.726 1.00 15.00 C ATOM 441 O GLU A 27 14.640 15.773 19.370 1.00 15.00 O ATOM 442 CB GLU A 27 17.387 14.107 20.019 1.00 15.00 C ATOM 443 CG GLU A 27 17.598 12.716 19.464 1.00 15.00 C ATOM 444 CD GLU A 27 17.899 11.715 20.522 1.00 15.00 C ATOM 445 OE1 GLU A 27 18.888 11.906 21.256 1.00 15.00 O ATOM 446 OE2 GLU A 27 17.198 10.723 20.621 1.00 15.00 O ATOM 0 H GLU A 27 15.958 12.471 21.656 1.00 15.00 H new ATOM 0 HA GLU A 27 16.212 15.312 21.284 1.00 15.00 H new ATOM 0 HB2 GLU A 27 17.484 14.817 19.197 1.00 15.00 H new ATOM 0 HB3 GLU A 27 18.195 14.317 20.719 1.00 15.00 H new ATOM 0 HG2 GLU A 27 16.705 12.407 18.921 1.00 15.00 H new ATOM 0 HG3 GLU A 27 18.417 12.736 18.745 1.00 15.00 H new ATOM 453 N PHE A 28 14.315 13.563 19.293 1.00 15.00 N ATOM 454 CA PHE A 28 13.218 13.640 18.350 1.00 15.00 C ATOM 455 C PHE A 28 11.930 14.016 19.032 1.00 15.00 C ATOM 456 O PHE A 28 11.752 13.792 20.240 1.00 15.00 O ATOM 457 CB PHE A 28 12.993 12.264 17.646 1.00 15.00 C ATOM 458 CG PHE A 28 12.444 11.150 18.495 1.00 15.00 C ATOM 459 CD1 PHE A 28 13.277 10.360 19.240 1.00 15.00 C ATOM 460 CD2 PHE A 28 11.076 10.891 18.523 1.00 15.00 C ATOM 461 CE1 PHE A 28 12.775 9.338 19.998 1.00 15.00 C ATOM 462 CE2 PHE A 28 10.568 9.865 19.283 1.00 15.00 C ATOM 463 CZ PHE A 28 11.419 9.085 20.023 1.00 15.00 C ATOM 0 H PHE A 28 14.552 12.613 19.580 1.00 15.00 H new ATOM 0 HA PHE A 28 13.489 14.404 17.621 1.00 15.00 H new ATOM 0 HB2 PHE A 28 12.314 12.418 16.807 1.00 15.00 H new ATOM 0 HB3 PHE A 28 13.945 11.936 17.229 1.00 15.00 H new ATOM 0 HD1 PHE A 28 14.341 10.545 19.229 1.00 15.00 H new ATOM 0 HD2 PHE A 28 10.405 11.505 17.940 1.00 15.00 H new ATOM 0 HE1 PHE A 28 13.445 8.724 20.581 1.00 15.00 H new ATOM 0 HE2 PHE A 28 9.505 9.674 19.297 1.00 15.00 H new ATOM 0 HZ PHE A 28 11.029 8.276 20.623 1.00 15.00 H new ATOM 473 N TYR A 29 11.049 14.588 18.274 1.00 15.00 N ATOM 474 CA TYR A 29 9.730 14.894 18.719 1.00 15.00 C ATOM 475 C TYR A 29 8.809 14.832 17.478 1.00 15.00 C ATOM 476 O TYR A 29 9.251 14.332 16.430 1.00 15.00 O ATOM 477 CB TYR A 29 9.665 16.239 19.516 1.00 15.00 C ATOM 478 CG TYR A 29 8.328 16.448 20.225 1.00 15.00 C ATOM 479 CD1 TYR A 29 7.875 15.519 21.156 1.00 15.00 C ATOM 480 CD2 TYR A 29 7.514 17.540 19.941 1.00 15.00 C ATOM 481 CE1 TYR A 29 6.652 15.664 21.773 1.00 15.00 C ATOM 482 CE2 TYR A 29 6.291 17.695 20.565 1.00 15.00 C ATOM 483 CZ TYR A 29 5.865 16.751 21.475 1.00 15.00 C ATOM 484 OH TYR A 29 4.638 16.889 22.082 1.00 15.00 O ATOM 0 H TYR A 29 11.232 14.860 17.308 1.00 15.00 H new ATOM 0 HA TYR A 29 9.382 14.164 19.450 1.00 15.00 H new ATOM 0 HB2 TYR A 29 10.468 16.257 20.253 1.00 15.00 H new ATOM 0 HB3 TYR A 29 9.841 17.069 18.832 1.00 15.00 H new ATOM 0 HD1 TYR A 29 8.494 14.668 21.400 1.00 15.00 H new ATOM 0 HD2 TYR A 29 7.843 18.277 19.223 1.00 15.00 H new ATOM 0 HE1 TYR A 29 6.313 14.928 22.487 1.00 15.00 H new ATOM 0 HE2 TYR A 29 5.672 18.551 20.341 1.00 15.00 H new ATOM 0 HH TYR A 29 4.207 17.710 21.765 1.00 15.00 H new ATOM 494 N ARG A 30 7.646 15.462 17.548 1.00 15.00 N ATOM 495 CA ARG A 30 6.507 15.247 16.658 1.00 15.00 C ATOM 496 C ARG A 30 6.400 13.817 16.120 1.00 15.00 C ATOM 497 O ARG A 30 5.965 12.940 16.871 1.00 15.00 O ATOM 498 CB ARG A 30 6.356 16.321 15.578 1.00 15.00 C ATOM 499 CG ARG A 30 4.972 16.379 14.918 1.00 15.00 C ATOM 500 CD ARG A 30 3.885 16.863 15.895 1.00 15.00 C ATOM 501 NE ARG A 30 3.600 15.894 16.978 1.00 15.00 N ATOM 502 CZ ARG A 30 3.181 16.209 18.219 1.00 15.00 C ATOM 503 NH1 ARG A 30 3.068 17.471 18.582 1.00 15.00 N ATOM 504 NH2 ARG A 30 2.906 15.244 19.092 1.00 15.00 N ATOM 0 H ARG A 30 7.459 16.170 18.258 1.00 15.00 H new ATOM 0 HA ARG A 30 5.633 15.368 17.298 1.00 15.00 H new ATOM 0 HB2 ARG A 30 6.574 17.294 16.020 1.00 15.00 H new ATOM 0 HB3 ARG A 30 7.105 16.147 14.805 1.00 15.00 H new ATOM 0 HG2 ARG A 30 5.009 17.047 14.057 1.00 15.00 H new ATOM 0 HG3 ARG A 30 4.708 15.390 14.543 1.00 15.00 H new ATOM 0 HD2 ARG A 30 4.198 17.809 16.336 1.00 15.00 H new ATOM 0 HD3 ARG A 30 2.967 17.058 15.340 1.00 15.00 H new ATOM 0 HE ARG A 30 3.732 14.905 16.767 1.00 15.00 H new ATOM 0 HH11 ARG A 30 3.298 18.214 17.922 1.00 15.00 H new ATOM 0 HH12 ARG A 30 2.750 17.705 19.523 1.00 15.00 H new ATOM 0 HH21 ARG A 30 3.012 14.266 18.822 1.00 15.00 H new ATOM 0 HH22 ARG A 30 2.589 15.482 20.032 1.00 15.00 H new ATOM 518 N VAL A 31 6.746 13.576 14.839 1.00 15.00 N ATOM 519 CA VAL A 31 6.674 12.248 14.220 1.00 15.00 C ATOM 520 C VAL A 31 5.210 11.972 13.933 1.00 15.00 C ATOM 521 O VAL A 31 4.540 11.308 14.707 1.00 15.00 O ATOM 522 CB VAL A 31 7.321 11.061 15.051 1.00 15.00 C ATOM 523 CG1 VAL A 31 7.215 9.734 14.298 1.00 15.00 C ATOM 524 CG2 VAL A 31 8.777 11.339 15.394 1.00 15.00 C ATOM 0 H VAL A 31 7.083 14.303 14.208 1.00 15.00 H new ATOM 0 HA VAL A 31 7.282 12.277 13.316 1.00 15.00 H new ATOM 0 HB VAL A 31 6.757 10.987 15.981 1.00 15.00 H new ATOM 0 HG11 VAL A 31 7.667 8.941 14.893 1.00 15.00 H new ATOM 0 HG12 VAL A 31 6.166 9.500 14.119 1.00 15.00 H new ATOM 0 HG13 VAL A 31 7.737 9.814 13.344 1.00 15.00 H new ATOM 0 HG21 VAL A 31 9.183 10.503 15.963 1.00 15.00 H new ATOM 0 HG22 VAL A 31 9.350 11.465 14.475 1.00 15.00 H new ATOM 0 HG23 VAL A 31 8.843 12.249 15.990 1.00 15.00 H new ATOM 534 N PHE A 32 4.698 12.524 12.854 1.00 15.00 N ATOM 535 CA PHE A 32 3.284 12.456 12.539 1.00 15.00 C ATOM 536 C PHE A 32 3.145 12.476 11.052 1.00 15.00 C ATOM 537 O PHE A 32 3.135 13.533 10.426 1.00 15.00 O ATOM 538 CB PHE A 32 2.450 13.585 13.188 1.00 15.00 C ATOM 539 CG PHE A 32 1.810 13.225 14.513 1.00 15.00 C ATOM 540 CD1 PHE A 32 2.530 13.227 15.688 1.00 15.00 C ATOM 541 CD2 PHE A 32 0.472 12.871 14.562 1.00 15.00 C ATOM 542 CE1 PHE A 32 1.936 12.885 16.886 1.00 15.00 C ATOM 543 CE2 PHE A 32 -0.128 12.528 15.756 1.00 15.00 C ATOM 544 CZ PHE A 32 0.607 12.536 16.920 1.00 15.00 C ATOM 0 H PHE A 32 5.252 13.035 12.167 1.00 15.00 H new ATOM 0 HA PHE A 32 2.884 11.533 12.958 1.00 15.00 H new ATOM 0 HB2 PHE A 32 3.093 14.453 13.336 1.00 15.00 H new ATOM 0 HB3 PHE A 32 1.666 13.884 12.492 1.00 15.00 H new ATOM 0 HD1 PHE A 32 3.575 13.500 15.671 1.00 15.00 H new ATOM 0 HD2 PHE A 32 -0.110 12.863 13.652 1.00 15.00 H new ATOM 0 HE1 PHE A 32 2.516 12.892 17.797 1.00 15.00 H new ATOM 0 HE2 PHE A 32 -1.172 12.254 15.777 1.00 15.00 H new ATOM 0 HZ PHE A 32 0.141 12.269 17.857 1.00 15.00 H new ATOM 554 N ILE A 33 3.155 11.311 10.508 1.00 15.00 N ATOM 555 CA ILE A 33 3.082 11.076 9.087 1.00 15.00 C ATOM 556 C ILE A 33 1.990 10.067 8.864 1.00 15.00 C ATOM 557 O ILE A 33 1.491 9.500 9.847 1.00 15.00 O ATOM 558 CB ILE A 33 4.434 10.474 8.545 1.00 15.00 C ATOM 559 CG1 ILE A 33 4.695 9.072 9.152 1.00 15.00 C ATOM 560 CG2 ILE A 33 5.614 11.411 8.836 1.00 15.00 C ATOM 561 CD1 ILE A 33 5.919 8.366 8.602 1.00 15.00 C ATOM 0 H ILE A 33 3.217 10.451 11.053 1.00 15.00 H new ATOM 0 HA ILE A 33 2.890 12.015 8.567 1.00 15.00 H new ATOM 0 HB ILE A 33 4.341 10.371 7.464 1.00 15.00 H new ATOM 0 HG12 ILE A 33 4.804 9.172 10.232 1.00 15.00 H new ATOM 0 HG13 ILE A 33 3.820 8.446 8.976 1.00 15.00 H new ATOM 0 HG21 ILE A 33 6.533 10.969 8.451 1.00 15.00 H new ATOM 0 HG22 ILE A 33 5.443 12.373 8.352 1.00 15.00 H new ATOM 0 HG23 ILE A 33 5.705 11.558 9.912 1.00 15.00 H new ATOM 0 HD11 ILE A 33 6.025 7.393 9.082 1.00 15.00 H new ATOM 0 HD12 ILE A 33 5.808 8.229 7.526 1.00 15.00 H new ATOM 0 HD13 ILE A 33 6.806 8.967 8.801 1.00 15.00 H new ATOM 573 N ASN A 34 1.584 9.819 7.632 1.00 15.00 N ATOM 574 CA ASN A 34 0.738 8.695 7.406 1.00 15.00 C ATOM 575 C ASN A 34 1.615 7.508 7.322 1.00 15.00 C ATOM 576 O ASN A 34 2.483 7.438 6.449 1.00 15.00 O ATOM 577 CB ASN A 34 -0.125 8.814 6.154 1.00 15.00 C ATOM 578 CG ASN A 34 -0.742 7.493 5.719 1.00 15.00 C ATOM 579 OD1 ASN A 34 -0.153 6.763 4.938 1.00 15.00 O ATOM 580 ND2 ASN A 34 -1.913 7.188 6.196 1.00 15.00 N ATOM 0 H ASN A 34 1.824 10.368 6.807 1.00 15.00 H new ATOM 0 HA ASN A 34 0.027 8.622 8.229 1.00 15.00 H new ATOM 0 HB2 ASN A 34 -0.921 9.536 6.337 1.00 15.00 H new ATOM 0 HB3 ASN A 34 0.482 9.209 5.339 1.00 15.00 H new ATOM 0 HD21 ASN A 34 -2.365 6.317 5.919 1.00 15.00 H new ATOM 0 HD22 ASN A 34 -2.379 7.820 6.847 1.00 15.00 H new ATOM 587 N PRO A 35 1.488 6.578 8.263 1.00 15.00 N ATOM 588 CA PRO A 35 2.348 5.443 8.300 1.00 15.00 C ATOM 589 C PRO A 35 2.120 4.525 7.127 1.00 15.00 C ATOM 590 O PRO A 35 1.039 3.958 7.003 1.00 15.00 O ATOM 591 CB PRO A 35 2.000 4.719 9.619 1.00 15.00 C ATOM 592 CG PRO A 35 1.101 5.639 10.368 1.00 15.00 C ATOM 593 CD PRO A 35 0.484 6.551 9.355 1.00 15.00 C ATOM 0 HA PRO A 35 3.394 5.743 8.247 1.00 15.00 H new ATOM 0 HB2 PRO A 35 1.508 3.766 9.423 1.00 15.00 H new ATOM 0 HB3 PRO A 35 2.900 4.500 10.193 1.00 15.00 H new ATOM 0 HG2 PRO A 35 0.334 5.080 10.904 1.00 15.00 H new ATOM 0 HG3 PRO A 35 1.660 6.207 11.111 1.00 15.00 H new ATOM 0 HD2 PRO A 35 -0.478 6.174 9.008 1.00 15.00 H new ATOM 0 HD3 PRO A 35 0.308 7.546 9.764 1.00 15.00 H new ATOM 601 N TYR A 36 3.087 4.559 6.183 1.00 15.00 N ATOM 602 CA TYR A 36 3.311 3.553 5.109 1.00 15.00 C ATOM 603 C TYR A 36 2.266 3.538 4.001 1.00 15.00 C ATOM 604 O TYR A 36 2.624 3.287 2.841 1.00 15.00 O ATOM 605 CB TYR A 36 3.579 2.094 5.659 1.00 15.00 C ATOM 606 CG TYR A 36 2.466 1.483 6.519 1.00 15.00 C ATOM 607 CD1 TYR A 36 1.250 1.087 5.957 1.00 15.00 C ATOM 608 CD2 TYR A 36 2.615 1.358 7.901 1.00 15.00 C ATOM 609 CE1 TYR A 36 0.233 0.583 6.734 1.00 15.00 C ATOM 610 CE2 TYR A 36 1.591 0.859 8.685 1.00 15.00 C ATOM 611 CZ TYR A 36 0.404 0.473 8.094 1.00 15.00 C ATOM 612 OH TYR A 36 -0.622 -0.019 8.872 1.00 15.00 O ATOM 0 H TYR A 36 3.765 5.320 6.143 1.00 15.00 H new ATOM 0 HA TYR A 36 4.229 3.906 4.639 1.00 15.00 H new ATOM 0 HB2 TYR A 36 3.758 1.435 4.810 1.00 15.00 H new ATOM 0 HB3 TYR A 36 4.497 2.112 6.247 1.00 15.00 H new ATOM 0 HD1 TYR A 36 1.105 1.178 4.891 1.00 15.00 H new ATOM 0 HD2 TYR A 36 3.544 1.655 8.365 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -0.696 0.275 6.278 1.00 15.00 H new ATOM 0 HE2 TYR A 36 1.719 0.772 9.754 1.00 15.00 H new ATOM 0 HH TYR A 36 -0.342 -0.034 9.811 1.00 15.00 H new ATOM 622 N ALA A 37 1.022 3.866 4.337 1.00 15.00 N ATOM 623 CA ALA A 37 -0.132 3.831 3.437 1.00 15.00 C ATOM 624 C ALA A 37 -0.101 4.962 2.399 1.00 15.00 C ATOM 625 O ALA A 37 -1.088 5.673 2.177 1.00 15.00 O ATOM 626 CB ALA A 37 -1.422 3.842 4.246 1.00 15.00 C ATOM 0 H ALA A 37 0.778 4.175 5.278 1.00 15.00 H new ATOM 0 HA ALA A 37 -0.085 2.902 2.868 1.00 15.00 H new ATOM 0 HB1 ALA A 37 -2.276 3.816 3.569 1.00 15.00 H new ATOM 0 HB2 ALA A 37 -1.449 2.970 4.899 1.00 15.00 H new ATOM 0 HB3 ALA A 37 -1.465 4.748 4.850 1.00 15.00 H new ATOM 632 N LYS A 38 1.041 5.057 1.765 1.00 15.00 N ATOM 633 CA LYS A 38 1.366 5.932 0.666 1.00 15.00 C ATOM 634 C LYS A 38 1.073 7.441 0.899 1.00 15.00 C ATOM 635 O LYS A 38 0.948 8.212 -0.056 1.00 15.00 O ATOM 636 CB LYS A 38 0.693 5.362 -0.591 1.00 15.00 C ATOM 637 CG LYS A 38 1.137 5.893 -1.941 1.00 15.00 C ATOM 638 CD LYS A 38 0.272 5.359 -3.098 1.00 15.00 C ATOM 639 CE LYS A 38 0.352 3.823 -3.311 1.00 15.00 C ATOM 640 NZ LYS A 38 -0.367 3.009 -2.280 1.00 15.00 N ATOM 0 H LYS A 38 1.835 4.474 2.027 1.00 15.00 H new ATOM 0 HA LYS A 38 2.449 5.941 0.547 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.845 4.283 -0.591 1.00 15.00 H new ATOM 0 HB3 LYS A 38 -0.380 5.533 -0.502 1.00 15.00 H new ATOM 0 HG2 LYS A 38 1.093 6.982 -1.932 1.00 15.00 H new ATOM 0 HG3 LYS A 38 2.178 5.617 -2.112 1.00 15.00 H new ATOM 0 HD2 LYS A 38 -0.767 5.633 -2.914 1.00 15.00 H new ATOM 0 HD3 LYS A 38 0.574 5.856 -4.020 1.00 15.00 H new ATOM 0 HE2 LYS A 38 -0.057 3.584 -4.293 1.00 15.00 H new ATOM 0 HE3 LYS A 38 1.401 3.526 -3.322 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 0.326 2.549 -1.656 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 -0.983 3.629 -1.716 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 -0.944 2.283 -2.751 1.00 15.00 H new ATOM 654 N VAL A 39 1.088 7.892 2.122 1.00 15.00 N ATOM 655 CA VAL A 39 0.846 9.316 2.388 1.00 15.00 C ATOM 656 C VAL A 39 1.794 9.714 3.537 1.00 15.00 C ATOM 657 O VAL A 39 1.435 10.382 4.483 1.00 15.00 O ATOM 658 CB VAL A 39 -0.668 9.608 2.788 1.00 15.00 C ATOM 659 CG1 VAL A 39 -0.952 11.105 2.872 1.00 15.00 C ATOM 660 CG2 VAL A 39 -1.644 8.979 1.811 1.00 15.00 C ATOM 0 H VAL A 39 1.260 7.321 2.949 1.00 15.00 H new ATOM 0 HA VAL A 39 1.035 9.900 1.487 1.00 15.00 H new ATOM 0 HB VAL A 39 -0.810 9.159 3.771 1.00 15.00 H new ATOM 0 HG11 VAL A 39 -1.995 11.263 3.147 1.00 15.00 H new ATOM 0 HG12 VAL A 39 -0.306 11.556 3.625 1.00 15.00 H new ATOM 0 HG13 VAL A 39 -0.758 11.567 1.904 1.00 15.00 H new ATOM 0 HG21 VAL A 39 -2.665 9.203 2.121 1.00 15.00 H new ATOM 0 HG22 VAL A 39 -1.471 9.383 0.813 1.00 15.00 H new ATOM 0 HG23 VAL A 39 -1.498 7.899 1.795 1.00 15.00 H new ATOM 670 N ALA A 40 3.036 9.506 3.337 1.00 15.00 N ATOM 671 CA ALA A 40 3.939 9.520 4.432 1.00 15.00 C ATOM 672 C ALA A 40 4.750 10.773 4.292 1.00 15.00 C ATOM 673 O ALA A 40 5.560 10.889 3.370 1.00 15.00 O ATOM 674 CB ALA A 40 4.812 8.278 4.412 1.00 15.00 C ATOM 0 H ALA A 40 3.458 9.323 2.427 1.00 15.00 H new ATOM 0 HA ALA A 40 3.416 9.511 5.388 1.00 15.00 H new ATOM 0 HB1 ALA A 40 5.499 8.303 5.258 1.00 15.00 H new ATOM 0 HB2 ALA A 40 4.183 7.390 4.481 1.00 15.00 H new ATOM 0 HB3 ALA A 40 5.381 8.248 3.483 1.00 15.00 H new ATOM 680 N GLU A 41 4.484 11.703 5.171 1.00 15.00 N ATOM 681 CA GLU A 41 5.056 13.029 5.190 1.00 15.00 C ATOM 682 C GLU A 41 4.404 13.807 6.298 1.00 15.00 C ATOM 683 O GLU A 41 3.632 13.230 7.056 1.00 15.00 O ATOM 684 CB GLU A 41 5.008 13.769 3.799 1.00 15.00 C ATOM 685 CG GLU A 41 3.700 13.726 2.990 1.00 15.00 C ATOM 686 CD GLU A 41 2.590 14.610 3.488 1.00 15.00 C ATOM 687 OE1 GLU A 41 2.797 15.832 3.634 1.00 15.00 O ATOM 688 OE2 GLU A 41 1.457 14.116 3.623 1.00 15.00 O ATOM 0 H GLU A 41 3.827 11.550 5.936 1.00 15.00 H new ATOM 0 HA GLU A 41 6.125 12.943 5.387 1.00 15.00 H new ATOM 0 HB2 GLU A 41 5.257 14.816 3.972 1.00 15.00 H new ATOM 0 HB3 GLU A 41 5.798 13.352 3.174 1.00 15.00 H new ATOM 0 HG2 GLU A 41 3.924 14.002 1.960 1.00 15.00 H new ATOM 0 HG3 GLU A 41 3.339 12.697 2.973 1.00 15.00 H new ATOM 695 N VAL A 42 4.751 15.063 6.390 1.00 15.00 N ATOM 696 CA VAL A 42 4.268 16.060 7.337 1.00 15.00 C ATOM 697 C VAL A 42 5.392 16.484 8.340 1.00 15.00 C ATOM 698 O VAL A 42 6.530 16.717 7.912 1.00 15.00 O ATOM 699 CB VAL A 42 2.765 15.847 7.950 1.00 15.00 C ATOM 700 CG1 VAL A 42 2.287 17.004 8.840 1.00 15.00 C ATOM 701 CG2 VAL A 42 1.741 15.691 6.831 1.00 15.00 C ATOM 0 H VAL A 42 5.440 15.460 5.751 1.00 15.00 H new ATOM 0 HA VAL A 42 4.053 16.947 6.740 1.00 15.00 H new ATOM 0 HB VAL A 42 2.840 14.947 8.560 1.00 15.00 H new ATOM 0 HG11 VAL A 42 1.284 16.789 9.208 1.00 15.00 H new ATOM 0 HG12 VAL A 42 2.967 17.118 9.684 1.00 15.00 H new ATOM 0 HG13 VAL A 42 2.271 17.927 8.260 1.00 15.00 H new ATOM 0 HG21 VAL A 42 0.750 15.551 7.262 1.00 15.00 H new ATOM 0 HG22 VAL A 42 1.743 16.586 6.209 1.00 15.00 H new ATOM 0 HG23 VAL A 42 1.997 14.825 6.221 1.00 15.00 H new ATOM 711 N VAL A 43 5.104 16.498 9.642 1.00 15.00 N ATOM 712 CA VAL A 43 6.038 17.060 10.636 1.00 15.00 C ATOM 713 C VAL A 43 6.855 15.964 11.406 1.00 15.00 C ATOM 714 O VAL A 43 6.408 14.818 11.580 1.00 15.00 O ATOM 715 CB VAL A 43 5.359 18.133 11.565 1.00 15.00 C ATOM 716 CG1 VAL A 43 6.328 18.817 12.527 1.00 15.00 C ATOM 717 CG2 VAL A 43 4.618 19.172 10.742 1.00 15.00 C ATOM 0 H VAL A 43 4.239 16.131 10.038 1.00 15.00 H new ATOM 0 HA VAL A 43 6.791 17.610 10.072 1.00 15.00 H new ATOM 0 HB VAL A 43 4.650 17.581 12.182 1.00 15.00 H new ATOM 0 HG11 VAL A 43 5.787 19.543 13.134 1.00 15.00 H new ATOM 0 HG12 VAL A 43 6.784 18.070 13.176 1.00 15.00 H new ATOM 0 HG13 VAL A 43 7.106 19.327 11.959 1.00 15.00 H new ATOM 0 HG21 VAL A 43 4.157 19.902 11.407 1.00 15.00 H new ATOM 0 HG22 VAL A 43 5.319 19.678 10.078 1.00 15.00 H new ATOM 0 HG23 VAL A 43 3.845 18.683 10.149 1.00 15.00 H new ATOM 727 N ILE A 44 8.005 16.388 11.914 1.00 15.00 N ATOM 728 CA ILE A 44 9.005 15.525 12.559 1.00 15.00 C ATOM 729 C ILE A 44 10.065 16.501 13.123 1.00 15.00 C ATOM 730 O ILE A 44 10.354 17.514 12.499 1.00 15.00 O ATOM 731 CB ILE A 44 9.597 14.436 11.575 1.00 15.00 C ATOM 732 CG1 ILE A 44 10.057 13.130 12.289 1.00 15.00 C ATOM 733 CG2 ILE A 44 10.719 14.995 10.707 1.00 15.00 C ATOM 734 CD1 ILE A 44 11.175 13.267 13.295 1.00 15.00 C ATOM 0 H ILE A 44 8.282 17.369 11.892 1.00 15.00 H new ATOM 0 HA ILE A 44 8.572 14.919 13.355 1.00 15.00 H new ATOM 0 HB ILE A 44 8.764 14.162 10.928 1.00 15.00 H new ATOM 0 HG12 ILE A 44 9.194 12.697 12.795 1.00 15.00 H new ATOM 0 HG13 ILE A 44 10.370 12.417 11.526 1.00 15.00 H new ATOM 0 HG21 ILE A 44 11.094 14.212 10.048 1.00 15.00 H new ATOM 0 HG22 ILE A 44 10.338 15.822 10.108 1.00 15.00 H new ATOM 0 HG23 ILE A 44 11.528 15.352 11.344 1.00 15.00 H new ATOM 0 HD11 ILE A 44 11.403 12.290 13.721 1.00 15.00 H new ATOM 0 HD12 ILE A 44 12.062 13.663 12.801 1.00 15.00 H new ATOM 0 HD13 ILE A 44 10.868 13.947 14.090 1.00 15.00 H new ATOM 746 N ASP A 45 10.514 16.273 14.348 1.00 15.00 N ATOM 747 CA ASP A 45 11.477 17.196 14.964 1.00 15.00 C ATOM 748 C ASP A 45 12.938 16.858 14.783 1.00 15.00 C ATOM 749 O ASP A 45 13.731 17.792 14.819 1.00 15.00 O ATOM 750 CB ASP A 45 11.170 17.518 16.427 1.00 15.00 C ATOM 751 CG ASP A 45 10.001 18.460 16.596 1.00 15.00 C ATOM 752 OD1 ASP A 45 10.206 19.688 16.483 1.00 15.00 O ATOM 753 OD2 ASP A 45 8.877 18.006 16.859 1.00 15.00 O ATOM 0 H ASP A 45 10.241 15.480 14.929 1.00 15.00 H new ATOM 0 HA ASP A 45 11.320 18.100 14.375 1.00 15.00 H new ATOM 0 HB2 ASP A 45 10.961 16.591 16.960 1.00 15.00 H new ATOM 0 HB3 ASP A 45 12.054 17.959 16.888 1.00 15.00 H new ATOM 758 N ASP A 46 13.264 15.529 14.580 1.00 15.00 N ATOM 759 CA ASP A 46 14.648 14.973 14.388 1.00 15.00 C ATOM 760 C ASP A 46 15.717 16.005 14.468 1.00 15.00 C ATOM 761 O ASP A 46 16.184 16.572 13.474 1.00 15.00 O ATOM 762 CB ASP A 46 14.799 14.014 13.161 1.00 15.00 C ATOM 763 CG ASP A 46 14.304 14.518 11.813 1.00 15.00 C ATOM 764 OD1 ASP A 46 13.893 15.673 11.686 1.00 15.00 O ATOM 765 OD2 ASP A 46 14.256 13.712 10.859 1.00 15.00 O ATOM 0 H ASP A 46 12.549 14.803 14.546 1.00 15.00 H new ATOM 0 HA ASP A 46 14.799 14.327 15.253 1.00 15.00 H new ATOM 0 HB2 ASP A 46 15.854 13.761 13.059 1.00 15.00 H new ATOM 0 HB3 ASP A 46 14.270 13.089 13.390 1.00 15.00 H new ATOM 770 N SER A 47 16.085 16.270 15.672 1.00 15.00 N ATOM 771 CA SER A 47 16.769 17.505 15.965 1.00 15.00 C ATOM 772 C SER A 47 18.311 17.397 15.971 1.00 15.00 C ATOM 773 O SER A 47 18.950 17.979 15.089 1.00 15.00 O ATOM 774 CB SER A 47 16.203 18.129 17.249 1.00 15.00 C ATOM 775 OG SER A 47 16.579 19.491 17.400 1.00 15.00 O ATOM 0 H SER A 47 15.931 15.660 16.474 1.00 15.00 H new ATOM 0 HA SER A 47 16.568 18.183 15.135 1.00 15.00 H new ATOM 0 HB2 SER A 47 15.116 18.054 17.238 1.00 15.00 H new ATOM 0 HB3 SER A 47 16.553 17.561 18.111 1.00 15.00 H new ATOM 0 HG SER A 47 16.195 19.846 18.229 1.00 15.00 H new ATOM 781 N LYS A 48 18.901 16.709 17.001 1.00 15.00 N ATOM 782 CA LYS A 48 20.391 16.513 17.152 1.00 15.00 C ATOM 783 C LYS A 48 21.310 16.788 15.973 1.00 15.00 C ATOM 784 O LYS A 48 22.078 17.758 16.013 1.00 15.00 O ATOM 785 CB LYS A 48 20.748 15.155 17.782 1.00 15.00 C ATOM 786 CG LYS A 48 20.669 15.122 19.301 1.00 15.00 C ATOM 787 CD LYS A 48 21.762 16.017 19.907 1.00 15.00 C ATOM 788 CE LYS A 48 21.780 15.983 21.429 1.00 15.00 C ATOM 789 NZ LYS A 48 20.536 16.516 22.011 1.00 15.00 N ATOM 0 H LYS A 48 18.362 16.274 17.750 1.00 15.00 H new ATOM 0 HA LYS A 48 20.608 17.341 17.827 1.00 15.00 H new ATOM 0 HB2 LYS A 48 20.078 14.395 17.380 1.00 15.00 H new ATOM 0 HB3 LYS A 48 21.759 14.882 17.478 1.00 15.00 H new ATOM 0 HG2 LYS A 48 19.687 15.462 19.629 1.00 15.00 H new ATOM 0 HG3 LYS A 48 20.788 14.099 19.657 1.00 15.00 H new ATOM 0 HD2 LYS A 48 22.734 15.700 19.530 1.00 15.00 H new ATOM 0 HD3 LYS A 48 21.610 17.044 19.573 1.00 15.00 H new ATOM 0 HE2 LYS A 48 21.927 14.957 21.766 1.00 15.00 H new ATOM 0 HE3 LYS A 48 22.628 16.563 21.794 1.00 15.00 H new ATOM 0 HZ1 LYS A 48 20.625 16.553 23.047 1.00 15.00 H new ATOM 0 HZ2 LYS A 48 20.364 17.474 21.644 1.00 15.00 H new ATOM 0 HZ3 LYS A 48 19.740 15.898 21.754 1.00 15.00 H new ATOM 803 N VAL A 49 21.240 16.006 14.944 1.00 15.00 N ATOM 804 CA VAL A 49 22.219 16.153 13.888 1.00 15.00 C ATOM 805 C VAL A 49 21.683 17.025 12.766 1.00 15.00 C ATOM 806 O VAL A 49 22.403 17.894 12.256 1.00 15.00 O ATOM 807 CB VAL A 49 22.772 14.806 13.360 1.00 15.00 C ATOM 808 CG1 VAL A 49 23.855 15.044 12.320 1.00 15.00 C ATOM 809 CG2 VAL A 49 23.326 13.976 14.504 1.00 15.00 C ATOM 0 H VAL A 49 20.542 15.276 14.803 1.00 15.00 H new ATOM 0 HA VAL A 49 23.075 16.659 14.334 1.00 15.00 H new ATOM 0 HB VAL A 49 21.952 14.260 12.893 1.00 15.00 H new ATOM 0 HG11 VAL A 49 24.231 14.086 11.961 1.00 15.00 H new ATOM 0 HG12 VAL A 49 23.439 15.607 11.484 1.00 15.00 H new ATOM 0 HG13 VAL A 49 24.672 15.610 12.768 1.00 15.00 H new ATOM 0 HG21 VAL A 49 23.711 13.033 14.116 1.00 15.00 H new ATOM 0 HG22 VAL A 49 24.132 14.523 14.993 1.00 15.00 H new ATOM 0 HG23 VAL A 49 22.534 13.776 15.225 1.00 15.00 H new ATOM 819 N ASN A 50 20.408 16.835 12.426 1.00 15.00 N ATOM 820 CA ASN A 50 19.724 17.581 11.342 1.00 15.00 C ATOM 821 C ASN A 50 20.325 17.271 9.962 1.00 15.00 C ATOM 822 O ASN A 50 19.732 16.575 9.218 1.00 15.00 O ATOM 823 CB ASN A 50 19.664 19.109 11.629 1.00 15.00 C ATOM 824 CG ASN A 50 19.077 19.986 10.497 1.00 15.00 C ATOM 825 OD1 ASN A 50 19.498 21.130 10.334 1.00 15.00 O ATOM 826 ND2 ASN A 50 18.113 19.510 9.746 1.00 15.00 N ATOM 0 H ASN A 50 19.806 16.156 12.892 1.00 15.00 H new ATOM 0 HA ASN A 50 18.692 17.229 11.320 1.00 15.00 H new ATOM 0 HB2 ASN A 50 19.071 19.267 12.530 1.00 15.00 H new ATOM 0 HB3 ASN A 50 20.673 19.458 11.847 1.00 15.00 H new ATOM 0 HD21 ASN A 50 17.702 20.091 9.015 1.00 15.00 H new ATOM 0 HD22 ASN A 50 17.774 18.559 9.893 1.00 15.00 H new ATOM 833 N ILE A 51 21.509 17.791 9.651 1.00 15.00 N ATOM 834 CA ILE A 51 22.183 17.540 8.351 1.00 15.00 C ATOM 835 C ILE A 51 22.135 16.058 7.840 1.00 15.00 C ATOM 836 O ILE A 51 21.994 15.831 6.632 1.00 15.00 O ATOM 837 CB ILE A 51 23.673 18.048 8.391 1.00 15.00 C ATOM 838 CG1 ILE A 51 24.348 17.919 7.009 1.00 15.00 C ATOM 839 CG2 ILE A 51 24.487 17.338 9.472 1.00 15.00 C ATOM 840 CD1 ILE A 51 25.748 18.496 6.944 1.00 15.00 C ATOM 0 H ILE A 51 22.037 18.397 10.279 1.00 15.00 H new ATOM 0 HA ILE A 51 21.601 18.111 7.627 1.00 15.00 H new ATOM 0 HB ILE A 51 23.644 19.106 8.650 1.00 15.00 H new ATOM 0 HG12 ILE A 51 24.389 16.865 6.734 1.00 15.00 H new ATOM 0 HG13 ILE A 51 23.727 18.419 6.266 1.00 15.00 H new ATOM 0 HG21 ILE A 51 25.509 17.717 9.466 1.00 15.00 H new ATOM 0 HG22 ILE A 51 24.037 17.523 10.447 1.00 15.00 H new ATOM 0 HG23 ILE A 51 24.497 16.266 9.275 1.00 15.00 H new ATOM 0 HD11 ILE A 51 26.150 18.364 5.939 1.00 15.00 H new ATOM 0 HD12 ILE A 51 25.715 19.558 7.185 1.00 15.00 H new ATOM 0 HD13 ILE A 51 26.387 17.981 7.661 1.00 15.00 H new ATOM 852 N GLU A 52 22.221 15.060 8.722 1.00 15.00 N ATOM 853 CA GLU A 52 22.148 13.709 8.217 1.00 15.00 C ATOM 854 C GLU A 52 20.727 13.112 8.202 1.00 15.00 C ATOM 855 O GLU A 52 20.541 12.017 7.731 1.00 15.00 O ATOM 856 CB GLU A 52 23.286 12.765 8.707 1.00 15.00 C ATOM 857 CG GLU A 52 23.267 12.358 10.160 1.00 15.00 C ATOM 858 CD GLU A 52 22.240 11.314 10.446 1.00 15.00 C ATOM 859 OE1 GLU A 52 22.518 10.100 10.221 1.00 15.00 O ATOM 860 OE2 GLU A 52 21.147 11.680 10.878 1.00 15.00 O ATOM 0 H GLU A 52 22.335 15.160 9.731 1.00 15.00 H new ATOM 0 HA GLU A 52 22.376 13.803 7.155 1.00 15.00 H new ATOM 0 HB2 GLU A 52 23.257 11.859 8.102 1.00 15.00 H new ATOM 0 HB3 GLU A 52 24.240 13.253 8.505 1.00 15.00 H new ATOM 0 HG2 GLU A 52 24.251 11.983 10.442 1.00 15.00 H new ATOM 0 HG3 GLU A 52 23.071 13.235 10.777 1.00 15.00 H new ATOM 867 N GLU A 53 19.720 13.834 8.770 1.00 15.00 N ATOM 868 CA GLU A 53 18.282 13.401 8.635 1.00 15.00 C ATOM 869 C GLU A 53 17.980 13.156 7.175 1.00 15.00 C ATOM 870 O GLU A 53 17.223 12.245 6.827 1.00 15.00 O ATOM 871 CB GLU A 53 17.257 14.451 9.163 1.00 15.00 C ATOM 872 CG GLU A 53 17.129 15.680 8.266 1.00 15.00 C ATOM 873 CD GLU A 53 16.093 16.654 8.673 1.00 15.00 C ATOM 874 OE1 GLU A 53 16.376 17.519 9.509 1.00 15.00 O ATOM 875 OE2 GLU A 53 14.970 16.580 8.126 1.00 15.00 O ATOM 0 H GLU A 53 19.859 14.689 9.309 1.00 15.00 H new ATOM 0 HA GLU A 53 18.173 12.502 9.241 1.00 15.00 H new ATOM 0 HB2 GLU A 53 16.280 13.977 9.259 1.00 15.00 H new ATOM 0 HB3 GLU A 53 17.556 14.769 10.162 1.00 15.00 H new ATOM 0 HG2 GLU A 53 18.092 16.190 8.236 1.00 15.00 H new ATOM 0 HG3 GLU A 53 16.913 15.348 7.251 1.00 15.00 H new ATOM 882 N LEU A 54 18.656 13.949 6.326 1.00 15.00 N ATOM 883 CA LEU A 54 18.564 13.882 4.895 1.00 15.00 C ATOM 884 C LEU A 54 18.937 12.509 4.380 1.00 15.00 C ATOM 885 O LEU A 54 18.577 12.171 3.302 1.00 15.00 O ATOM 886 CB LEU A 54 19.377 14.989 4.168 1.00 15.00 C ATOM 887 CG LEU A 54 18.891 16.465 4.291 1.00 15.00 C ATOM 888 CD1 LEU A 54 17.452 16.621 3.836 1.00 15.00 C ATOM 889 CD2 LEU A 54 19.089 17.041 5.681 1.00 15.00 C ATOM 0 H LEU A 54 19.298 14.672 6.649 1.00 15.00 H new ATOM 0 HA LEU A 54 17.517 14.068 4.658 1.00 15.00 H new ATOM 0 HB2 LEU A 54 20.402 14.945 4.536 1.00 15.00 H new ATOM 0 HB3 LEU A 54 19.408 14.737 3.108 1.00 15.00 H new ATOM 0 HG LEU A 54 19.524 17.046 3.620 1.00 15.00 H new ATOM 0 HD11 LEU A 54 17.150 17.663 3.937 1.00 15.00 H new ATOM 0 HD12 LEU A 54 17.365 16.317 2.793 1.00 15.00 H new ATOM 0 HD13 LEU A 54 16.806 15.995 4.451 1.00 15.00 H new ATOM 0 HD21 LEU A 54 18.732 18.070 5.703 1.00 15.00 H new ATOM 0 HD22 LEU A 54 18.530 16.447 6.404 1.00 15.00 H new ATOM 0 HD23 LEU A 54 20.148 17.019 5.936 1.00 15.00 H new ATOM 901 N LYS A 55 19.670 11.739 5.177 1.00 15.00 N ATOM 902 CA LYS A 55 20.044 10.363 4.829 1.00 15.00 C ATOM 903 C LYS A 55 18.771 9.484 4.880 1.00 15.00 C ATOM 904 O LYS A 55 18.535 8.698 3.984 1.00 15.00 O ATOM 905 CB LYS A 55 21.049 9.847 5.836 1.00 15.00 C ATOM 906 CG LYS A 55 21.573 8.435 5.653 1.00 15.00 C ATOM 907 CD LYS A 55 22.340 8.020 6.909 1.00 15.00 C ATOM 908 CE LYS A 55 21.359 7.811 8.081 1.00 15.00 C ATOM 909 NZ LYS A 55 22.017 7.633 9.385 1.00 15.00 N ATOM 0 H LYS A 55 20.024 12.046 6.083 1.00 15.00 H new ATOM 0 HA LYS A 55 20.484 10.333 3.832 1.00 15.00 H new ATOM 0 HB2 LYS A 55 21.903 10.524 5.834 1.00 15.00 H new ATOM 0 HB3 LYS A 55 20.595 9.910 6.825 1.00 15.00 H new ATOM 0 HG2 LYS A 55 20.747 7.748 5.473 1.00 15.00 H new ATOM 0 HG3 LYS A 55 22.225 8.386 4.781 1.00 15.00 H new ATOM 0 HD2 LYS A 55 22.894 7.101 6.720 1.00 15.00 H new ATOM 0 HD3 LYS A 55 23.071 8.786 7.168 1.00 15.00 H new ATOM 0 HE2 LYS A 55 20.688 8.668 8.138 1.00 15.00 H new ATOM 0 HE3 LYS A 55 20.742 6.937 7.874 1.00 15.00 H new ATOM 0 HZ1 LYS A 55 21.297 7.464 10.117 1.00 15.00 H new ATOM 0 HZ2 LYS A 55 22.662 6.819 9.340 1.00 15.00 H new ATOM 0 HZ3 LYS A 55 22.557 8.490 9.621 1.00 15.00 H new ATOM 923 N GLU A 56 17.989 9.545 5.966 1.00 15.00 N ATOM 924 CA GLU A 56 16.728 8.792 5.986 1.00 15.00 C ATOM 925 C GLU A 56 15.691 9.403 5.018 1.00 15.00 C ATOM 926 O GLU A 56 14.937 8.685 4.378 1.00 15.00 O ATOM 927 CB GLU A 56 16.171 8.678 7.397 1.00 15.00 C ATOM 928 CG GLU A 56 17.070 7.943 8.385 1.00 15.00 C ATOM 929 CD GLU A 56 17.434 6.548 7.943 1.00 15.00 C ATOM 930 OE1 GLU A 56 16.535 5.744 7.669 1.00 15.00 O ATOM 931 OE2 GLU A 56 18.637 6.222 7.904 1.00 15.00 O ATOM 0 H GLU A 56 18.194 10.083 6.808 1.00 15.00 H new ATOM 0 HA GLU A 56 16.945 7.782 5.638 1.00 15.00 H new ATOM 0 HB2 GLU A 56 15.980 9.681 7.779 1.00 15.00 H new ATOM 0 HB3 GLU A 56 15.210 8.166 7.352 1.00 15.00 H new ATOM 0 HG2 GLU A 56 17.984 8.519 8.531 1.00 15.00 H new ATOM 0 HG3 GLU A 56 16.568 7.890 9.351 1.00 15.00 H new ATOM 938 N LYS A 57 15.650 10.734 4.955 1.00 15.00 N ATOM 939 CA LYS A 57 14.745 11.460 4.006 1.00 15.00 C ATOM 940 C LYS A 57 15.081 11.059 2.553 1.00 15.00 C ATOM 941 O LYS A 57 14.236 11.027 1.680 1.00 15.00 O ATOM 942 CB LYS A 57 14.851 12.989 4.214 1.00 15.00 C ATOM 943 CG LYS A 57 14.729 13.408 5.694 1.00 15.00 C ATOM 944 CD LYS A 57 13.452 12.915 6.355 1.00 15.00 C ATOM 945 CE LYS A 57 13.538 13.005 7.890 1.00 15.00 C ATOM 946 NZ LYS A 57 13.617 14.381 8.440 1.00 15.00 N ATOM 0 H LYS A 57 16.221 11.346 5.538 1.00 15.00 H new ATOM 0 HA LYS A 57 13.712 11.176 4.207 1.00 15.00 H new ATOM 0 HB2 LYS A 57 15.806 13.338 3.821 1.00 15.00 H new ATOM 0 HB3 LYS A 57 14.069 13.483 3.637 1.00 15.00 H new ATOM 0 HG2 LYS A 57 15.587 13.023 6.245 1.00 15.00 H new ATOM 0 HG3 LYS A 57 14.768 14.495 5.761 1.00 15.00 H new ATOM 0 HD2 LYS A 57 12.607 13.506 6.002 1.00 15.00 H new ATOM 0 HD3 LYS A 57 13.264 11.883 6.060 1.00 15.00 H new ATOM 0 HE2 LYS A 57 12.665 12.510 8.316 1.00 15.00 H new ATOM 0 HE3 LYS A 57 14.414 12.448 8.222 1.00 15.00 H new ATOM 0 HZ1 LYS A 57 14.141 14.366 9.338 1.00 15.00 H new ATOM 0 HZ2 LYS A 57 14.108 14.998 7.762 1.00 15.00 H new ATOM 0 HZ3 LYS A 57 12.657 14.744 8.606 1.00 15.00 H new ATOM 960 N LEU A 58 16.327 10.699 2.396 1.00 15.00 N ATOM 961 CA LEU A 58 16.935 10.213 1.160 1.00 15.00 C ATOM 962 C LEU A 58 16.282 8.899 0.727 1.00 15.00 C ATOM 963 O LEU A 58 16.247 8.621 -0.456 1.00 15.00 O ATOM 964 CB LEU A 58 18.453 10.016 1.322 1.00 15.00 C ATOM 965 CG LEU A 58 19.288 9.618 0.102 1.00 15.00 C ATOM 966 CD1 LEU A 58 19.452 10.784 -0.858 1.00 15.00 C ATOM 967 CD2 LEU A 58 20.642 9.097 0.549 1.00 15.00 C ATOM 0 H LEU A 58 16.995 10.735 3.166 1.00 15.00 H new ATOM 0 HA LEU A 58 16.770 10.967 0.390 1.00 15.00 H new ATOM 0 HB2 LEU A 58 18.865 10.947 1.712 1.00 15.00 H new ATOM 0 HB3 LEU A 58 18.605 9.254 2.087 1.00 15.00 H new ATOM 0 HG LEU A 58 18.762 8.826 -0.430 1.00 15.00 H new ATOM 0 HD11 LEU A 58 20.049 10.470 -1.714 1.00 15.00 H new ATOM 0 HD12 LEU A 58 18.471 11.113 -1.201 1.00 15.00 H new ATOM 0 HD13 LEU A 58 19.953 11.607 -0.349 1.00 15.00 H new ATOM 0 HD21 LEU A 58 21.230 8.816 -0.325 1.00 15.00 H new ATOM 0 HD22 LEU A 58 21.166 9.875 1.104 1.00 15.00 H new ATOM 0 HD23 LEU A 58 20.503 8.225 1.189 1.00 15.00 H new ATOM 979 N LYS A 59 15.795 8.074 1.665 1.00 15.00 N ATOM 980 CA LYS A 59 15.256 6.760 1.306 1.00 15.00 C ATOM 981 C LYS A 59 14.080 6.798 0.300 1.00 15.00 C ATOM 982 O LYS A 59 14.280 6.537 -0.843 1.00 15.00 O ATOM 983 CB LYS A 59 14.846 5.957 2.547 1.00 15.00 C ATOM 984 CG LYS A 59 15.928 5.795 3.610 1.00 15.00 C ATOM 985 CD LYS A 59 17.145 5.064 3.103 1.00 15.00 C ATOM 986 CE LYS A 59 18.129 4.832 4.235 1.00 15.00 C ATOM 987 NZ LYS A 59 19.312 4.061 3.809 1.00 15.00 N ATOM 0 H LYS A 59 15.764 8.291 2.661 1.00 15.00 H new ATOM 0 HA LYS A 59 16.082 6.261 0.799 1.00 15.00 H new ATOM 0 HB2 LYS A 59 13.983 6.441 3.003 1.00 15.00 H new ATOM 0 HB3 LYS A 59 14.524 4.966 2.227 1.00 15.00 H new ATOM 0 HG2 LYS A 59 16.226 6.780 3.971 1.00 15.00 H new ATOM 0 HG3 LYS A 59 15.515 5.255 4.462 1.00 15.00 H new ATOM 0 HD2 LYS A 59 16.849 4.109 2.668 1.00 15.00 H new ATOM 0 HD3 LYS A 59 17.621 5.642 2.311 1.00 15.00 H new ATOM 0 HE2 LYS A 59 18.451 5.794 4.634 1.00 15.00 H new ATOM 0 HE3 LYS A 59 17.627 4.303 5.045 1.00 15.00 H new ATOM 0 HZ1 LYS A 59 19.951 3.931 4.619 1.00 15.00 H new ATOM 0 HZ2 LYS A 59 19.011 3.132 3.453 1.00 15.00 H new ATOM 0 HZ3 LYS A 59 19.809 4.576 3.055 1.00 15.00 H new ATOM 1001 N GLY A 60 12.892 7.190 0.719 1.00 15.00 N ATOM 1002 CA GLY A 60 11.702 7.077 -0.178 1.00 15.00 C ATOM 1003 C GLY A 60 11.593 5.730 -0.976 1.00 15.00 C ATOM 1004 O GLY A 60 11.011 5.714 -2.065 1.00 15.00 O ATOM 0 H GLY A 60 12.702 7.581 1.642 1.00 15.00 H new ATOM 0 HA2 GLY A 60 10.801 7.199 0.423 1.00 15.00 H new ATOM 0 HA3 GLY A 60 11.724 7.902 -0.890 1.00 15.00 H new ATOM 1008 N GLU A 61 12.027 4.622 -0.326 1.00 15.00 N ATOM 1009 CA GLU A 61 12.297 3.246 -0.861 1.00 15.00 C ATOM 1010 C GLU A 61 12.718 3.061 -2.314 1.00 15.00 C ATOM 1011 O GLU A 61 12.767 3.990 -3.083 1.00 15.00 O ATOM 1012 CB GLU A 61 11.169 2.262 -0.534 1.00 15.00 C ATOM 1013 CG GLU A 61 11.198 1.795 0.913 1.00 15.00 C ATOM 1014 CD GLU A 61 12.449 1.014 1.211 1.00 15.00 C ATOM 1015 OE1 GLU A 61 13.486 1.617 1.515 1.00 15.00 O ATOM 1016 OE2 GLU A 61 12.423 -0.224 1.132 1.00 15.00 O ATOM 0 H GLU A 61 12.217 4.662 0.675 1.00 15.00 H new ATOM 0 HA GLU A 61 13.213 3.027 -0.312 1.00 15.00 H new ATOM 0 HB2 GLU A 61 10.209 2.735 -0.739 1.00 15.00 H new ATOM 0 HB3 GLU A 61 11.245 1.397 -1.192 1.00 15.00 H new ATOM 0 HG2 GLU A 61 11.139 2.657 1.577 1.00 15.00 H new ATOM 0 HG3 GLU A 61 10.324 1.176 1.115 1.00 15.00 H new ATOM 1023 N VAL A 62 13.010 1.774 -2.609 1.00 15.00 N ATOM 1024 CA VAL A 62 13.214 1.167 -3.954 1.00 15.00 C ATOM 1025 C VAL A 62 13.504 2.216 -5.081 1.00 15.00 C ATOM 1026 O VAL A 62 12.596 2.916 -5.567 1.00 15.00 O ATOM 1027 CB VAL A 62 12.006 0.225 -4.323 1.00 15.00 C ATOM 1028 CG1 VAL A 62 10.656 0.941 -4.276 1.00 15.00 C ATOM 1029 CG2 VAL A 62 12.220 -0.440 -5.664 1.00 15.00 C ATOM 0 H VAL A 62 13.118 1.082 -1.868 1.00 15.00 H new ATOM 0 HA VAL A 62 14.119 0.563 -3.890 1.00 15.00 H new ATOM 0 HB VAL A 62 11.975 -0.548 -3.555 1.00 15.00 H new ATOM 0 HG11 VAL A 62 9.863 0.241 -4.539 1.00 15.00 H new ATOM 0 HG12 VAL A 62 10.482 1.324 -3.270 1.00 15.00 H new ATOM 0 HG13 VAL A 62 10.659 1.769 -4.985 1.00 15.00 H new ATOM 0 HG21 VAL A 62 11.370 -1.083 -5.891 1.00 15.00 H new ATOM 0 HG22 VAL A 62 12.315 0.322 -6.437 1.00 15.00 H new ATOM 0 HG23 VAL A 62 13.130 -1.039 -5.632 1.00 15.00 H new ATOM 1039 N ILE A 63 14.783 2.270 -5.505 1.00 15.00 N ATOM 1040 CA ILE A 63 15.308 3.384 -6.346 1.00 15.00 C ATOM 1041 C ILE A 63 15.328 4.657 -5.423 1.00 15.00 C ATOM 1042 O ILE A 63 15.339 5.804 -5.868 1.00 15.00 O ATOM 1043 CB ILE A 63 14.466 3.594 -7.681 1.00 15.00 C ATOM 1044 CG1 ILE A 63 14.428 2.273 -8.478 1.00 15.00 C ATOM 1045 CG2 ILE A 63 15.082 4.691 -8.564 1.00 15.00 C ATOM 1046 CD1 ILE A 63 13.608 2.330 -9.753 1.00 15.00 C ATOM 0 H ILE A 63 15.478 1.558 -5.282 1.00 15.00 H new ATOM 0 HA ILE A 63 16.312 3.159 -6.707 1.00 15.00 H new ATOM 0 HB ILE A 63 13.458 3.899 -7.400 1.00 15.00 H new ATOM 0 HG12 ILE A 63 15.449 1.986 -8.730 1.00 15.00 H new ATOM 0 HG13 ILE A 63 14.026 1.488 -7.837 1.00 15.00 H new ATOM 0 HG21 ILE A 63 14.484 4.810 -9.467 1.00 15.00 H new ATOM 0 HG22 ILE A 63 15.101 5.632 -8.015 1.00 15.00 H new ATOM 0 HG23 ILE A 63 16.099 4.410 -8.837 1.00 15.00 H new ATOM 0 HD11 ILE A 63 13.637 1.359 -10.248 1.00 15.00 H new ATOM 0 HD12 ILE A 63 12.576 2.583 -9.511 1.00 15.00 H new ATOM 0 HD13 ILE A 63 14.021 3.089 -10.418 1.00 15.00 H new ATOM 1058 N GLU A 64 15.364 4.282 -4.110 1.00 15.00 N ATOM 1059 CA GLU A 64 15.590 5.094 -2.887 1.00 15.00 C ATOM 1060 C GLU A 64 16.119 6.481 -3.324 1.00 15.00 C ATOM 1061 O GLU A 64 17.294 6.637 -3.713 1.00 15.00 O ATOM 1062 CB GLU A 64 16.706 4.313 -2.162 1.00 15.00 C ATOM 1063 CG GLU A 64 17.058 4.759 -0.780 1.00 15.00 C ATOM 1064 CD GLU A 64 18.215 3.979 -0.239 1.00 15.00 C ATOM 1065 OE1 GLU A 64 19.363 4.387 -0.477 1.00 15.00 O ATOM 1066 OE2 GLU A 64 18.006 2.925 0.417 1.00 15.00 O ATOM 0 H GLU A 64 15.220 3.303 -3.863 1.00 15.00 H new ATOM 0 HA GLU A 64 14.704 5.246 -2.270 1.00 15.00 H new ATOM 0 HB2 GLU A 64 16.410 3.265 -2.115 1.00 15.00 H new ATOM 0 HB3 GLU A 64 17.607 4.363 -2.774 1.00 15.00 H new ATOM 0 HG2 GLU A 64 17.304 5.821 -0.789 1.00 15.00 H new ATOM 0 HG3 GLU A 64 16.195 4.637 -0.125 1.00 15.00 H new ATOM 1073 N GLU A 65 15.219 7.456 -3.298 1.00 15.00 N ATOM 1074 CA GLU A 65 15.410 8.710 -4.002 1.00 15.00 C ATOM 1075 C GLU A 65 16.116 9.828 -3.252 1.00 15.00 C ATOM 1076 O GLU A 65 17.335 9.905 -3.258 1.00 15.00 O ATOM 1077 CB GLU A 65 14.102 9.237 -4.576 1.00 15.00 C ATOM 1078 CG GLU A 65 13.418 8.325 -5.557 1.00 15.00 C ATOM 1079 CD GLU A 65 12.253 8.996 -6.225 1.00 15.00 C ATOM 1080 OE1 GLU A 65 11.627 9.907 -5.622 1.00 15.00 O ATOM 1081 OE2 GLU A 65 11.978 8.683 -7.392 1.00 15.00 O ATOM 0 H GLU A 65 14.338 7.396 -2.788 1.00 15.00 H new ATOM 0 HA GLU A 65 16.103 8.424 -4.794 1.00 15.00 H new ATOM 0 HB2 GLU A 65 13.417 9.437 -3.752 1.00 15.00 H new ATOM 0 HB3 GLU A 65 14.297 10.191 -5.067 1.00 15.00 H new ATOM 0 HG2 GLU A 65 14.134 8.002 -6.313 1.00 15.00 H new ATOM 0 HG3 GLU A 65 13.074 7.429 -5.041 1.00 15.00 H new ATOM 1088 N LYS A 66 15.333 10.704 -2.621 1.00 15.00 N ATOM 1089 CA LYS A 66 15.855 11.924 -2.025 1.00 15.00 C ATOM 1090 C LYS A 66 14.805 12.605 -1.155 1.00 15.00 C ATOM 1091 O LYS A 66 13.724 12.054 -0.978 1.00 15.00 O ATOM 1092 CB LYS A 66 16.433 12.894 -3.121 1.00 15.00 C ATOM 1093 CG LYS A 66 15.611 13.097 -4.433 1.00 15.00 C ATOM 1094 CD LYS A 66 14.264 13.796 -4.234 1.00 15.00 C ATOM 1095 CE LYS A 66 13.087 12.831 -4.282 1.00 15.00 C ATOM 1096 NZ LYS A 66 12.916 12.217 -5.618 1.00 15.00 N ATOM 0 H LYS A 66 14.326 10.585 -2.512 1.00 15.00 H new ATOM 0 HA LYS A 66 16.684 11.650 -1.373 1.00 15.00 H new ATOM 0 HB2 LYS A 66 16.572 13.872 -2.660 1.00 15.00 H new ATOM 0 HB3 LYS A 66 17.422 12.530 -3.400 1.00 15.00 H new ATOM 0 HG2 LYS A 66 16.208 13.679 -5.135 1.00 15.00 H new ATOM 0 HG3 LYS A 66 15.437 12.124 -4.893 1.00 15.00 H new ATOM 0 HD2 LYS A 66 14.266 14.312 -3.274 1.00 15.00 H new ATOM 0 HD3 LYS A 66 14.137 14.556 -5.005 1.00 15.00 H new ATOM 0 HE2 LYS A 66 13.234 12.046 -3.540 1.00 15.00 H new ATOM 0 HE3 LYS A 66 12.174 13.361 -4.009 1.00 15.00 H new ATOM 0 HZ1 LYS A 66 12.338 11.357 -5.533 1.00 15.00 H new ATOM 0 HZ2 LYS A 66 12.442 12.891 -6.252 1.00 15.00 H new ATOM 0 HZ3 LYS A 66 13.848 11.971 -6.009 1.00 15.00 H new ATOM 1110 N GLU A 67 15.115 13.805 -0.682 1.00 15.00 N ATOM 1111 CA GLU A 67 14.204 14.608 0.115 1.00 15.00 C ATOM 1112 C GLU A 67 13.212 15.341 -0.788 1.00 15.00 C ATOM 1113 O GLU A 67 12.180 14.772 -1.184 1.00 15.00 O ATOM 1114 CB GLU A 67 15.021 15.641 0.963 1.00 15.00 C ATOM 1115 CG GLU A 67 14.180 16.643 1.783 1.00 15.00 C ATOM 1116 CD GLU A 67 13.313 16.036 2.870 1.00 15.00 C ATOM 1117 OE1 GLU A 67 12.286 15.417 2.553 1.00 15.00 O ATOM 1118 OE2 GLU A 67 13.615 16.273 4.068 1.00 15.00 O ATOM 0 H GLU A 67 16.018 14.251 -0.844 1.00 15.00 H new ATOM 0 HA GLU A 67 13.645 13.953 0.783 1.00 15.00 H new ATOM 0 HB2 GLU A 67 15.668 15.092 1.647 1.00 15.00 H new ATOM 0 HB3 GLU A 67 15.670 16.203 0.292 1.00 15.00 H new ATOM 0 HG2 GLU A 67 14.855 17.366 2.242 1.00 15.00 H new ATOM 0 HG3 GLU A 67 13.538 17.197 1.098 1.00 15.00 H new ATOM 1125 N ILE A 68 13.613 16.551 -1.224 1.00 15.00 N ATOM 1126 CA ILE A 68 12.818 17.473 -2.021 1.00 15.00 C ATOM 1127 C ILE A 68 11.391 17.643 -1.508 1.00 15.00 C ATOM 1128 O ILE A 68 10.485 16.898 -1.885 1.00 15.00 O ATOM 1129 CB ILE A 68 12.841 17.139 -3.557 1.00 15.00 C ATOM 1130 CG1 ILE A 68 14.278 17.181 -4.106 1.00 15.00 C ATOM 1131 CG2 ILE A 68 11.967 18.112 -4.350 1.00 15.00 C ATOM 1132 CD1 ILE A 68 14.979 18.511 -3.927 1.00 15.00 C ATOM 0 H ILE A 68 14.542 16.917 -1.015 1.00 15.00 H new ATOM 0 HA ILE A 68 13.310 18.438 -1.899 1.00 15.00 H new ATOM 0 HB ILE A 68 12.441 16.132 -3.674 1.00 15.00 H new ATOM 0 HG12 ILE A 68 14.865 16.406 -3.613 1.00 15.00 H new ATOM 0 HG13 ILE A 68 14.255 16.936 -5.168 1.00 15.00 H new ATOM 0 HG21 ILE A 68 12.004 17.855 -5.409 1.00 15.00 H new ATOM 0 HG22 ILE A 68 10.938 18.048 -3.997 1.00 15.00 H new ATOM 0 HG23 ILE A 68 12.335 19.128 -4.211 1.00 15.00 H new ATOM 0 HD11 ILE A 68 15.985 18.451 -4.342 1.00 15.00 H new ATOM 0 HD12 ILE A 68 14.419 19.290 -4.445 1.00 15.00 H new ATOM 0 HD13 ILE A 68 15.038 18.751 -2.865 1.00 15.00 H new ATOM 1144 N THR A 69 11.198 18.639 -0.674 1.00 15.00 N ATOM 1145 CA THR A 69 9.853 18.963 -0.184 1.00 15.00 C ATOM 1146 C THR A 69 9.762 20.466 0.086 1.00 15.00 C ATOM 1147 O THR A 69 10.270 20.947 1.085 1.00 15.00 O ATOM 1148 CB THR A 69 9.335 18.105 0.981 1.00 15.00 C ATOM 1149 OG1 THR A 69 10.441 17.676 1.817 1.00 15.00 O ATOM 1150 CG2 THR A 69 8.508 16.929 0.507 1.00 15.00 C ATOM 0 H THR A 69 11.939 19.241 -0.316 1.00 15.00 H new ATOM 0 HA THR A 69 9.162 18.693 -0.982 1.00 15.00 H new ATOM 0 HB THR A 69 8.668 18.726 1.579 1.00 15.00 H new ATOM 0 HG1 THR A 69 10.667 16.746 1.608 1.00 15.00 H new ATOM 0 HG21 THR A 69 8.166 16.354 1.368 1.00 15.00 H new ATOM 0 HG22 THR A 69 7.646 17.292 -0.053 1.00 15.00 H new ATOM 0 HG23 THR A 69 9.116 16.292 -0.136 1.00 15.00 H new ATOM 1158 N LEU A 70 9.261 21.191 -0.913 1.00 15.00 N ATOM 1159 CA LEU A 70 9.055 22.643 -0.877 1.00 15.00 C ATOM 1160 C LEU A 70 8.555 23.255 0.462 1.00 15.00 C ATOM 1161 O LEU A 70 9.340 23.482 1.380 1.00 15.00 O ATOM 1162 CB LEU A 70 8.113 23.044 -2.053 1.00 15.00 C ATOM 1163 CG LEU A 70 7.841 24.549 -2.261 1.00 15.00 C ATOM 1164 CD1 LEU A 70 9.118 25.292 -2.601 1.00 15.00 C ATOM 1165 CD2 LEU A 70 6.796 24.758 -3.343 1.00 15.00 C ATOM 0 H LEU A 70 8.977 20.773 -1.799 1.00 15.00 H new ATOM 0 HA LEU A 70 10.051 23.073 -0.982 1.00 15.00 H new ATOM 0 HB2 LEU A 70 8.537 22.647 -2.975 1.00 15.00 H new ATOM 0 HB3 LEU A 70 7.155 22.546 -1.903 1.00 15.00 H new ATOM 0 HG LEU A 70 7.455 24.954 -1.325 1.00 15.00 H new ATOM 0 HD11 LEU A 70 8.897 26.350 -2.742 1.00 15.00 H new ATOM 0 HD12 LEU A 70 9.834 25.176 -1.787 1.00 15.00 H new ATOM 0 HD13 LEU A 70 9.543 24.885 -3.518 1.00 15.00 H new ATOM 0 HD21 LEU A 70 6.618 25.825 -3.475 1.00 15.00 H new ATOM 0 HD22 LEU A 70 7.152 24.331 -4.280 1.00 15.00 H new ATOM 0 HD23 LEU A 70 5.867 24.268 -3.051 1.00 15.00 H new ATOM 1177 N GLN A 71 7.294 23.584 0.541 1.00 15.00 N ATOM 1178 CA GLN A 71 6.805 24.285 1.685 1.00 15.00 C ATOM 1179 C GLN A 71 5.450 23.847 2.156 1.00 15.00 C ATOM 1180 O GLN A 71 4.579 23.436 1.376 1.00 15.00 O ATOM 1181 CB GLN A 71 6.773 25.788 1.296 1.00 15.00 C ATOM 1182 CG GLN A 71 6.492 26.751 2.447 1.00 15.00 C ATOM 1183 CD GLN A 71 6.692 28.197 2.043 1.00 15.00 C ATOM 1184 OE1 GLN A 71 7.492 28.496 1.159 1.00 15.00 O ATOM 1185 NE2 GLN A 71 6.026 29.100 2.700 1.00 15.00 N ATOM 0 H GLN A 71 6.594 23.377 -0.172 1.00 15.00 H new ATOM 0 HA GLN A 71 7.467 24.074 2.525 1.00 15.00 H new ATOM 0 HB2 GLN A 71 7.731 26.052 0.848 1.00 15.00 H new ATOM 0 HB3 GLN A 71 6.012 25.932 0.529 1.00 15.00 H new ATOM 0 HG2 GLN A 71 5.469 26.611 2.795 1.00 15.00 H new ATOM 0 HG3 GLN A 71 7.148 26.515 3.285 1.00 15.00 H new ATOM 0 HE21 GLN A 71 5.369 28.820 3.428 1.00 15.00 H new ATOM 0 HE22 GLN A 71 6.160 30.088 2.487 1.00 15.00 H new ATOM 1194 N GLU A 72 5.309 23.944 3.459 1.00 15.00 N ATOM 1195 CA GLU A 72 4.115 23.751 4.216 1.00 15.00 C ATOM 1196 C GLU A 72 3.086 24.859 3.940 1.00 15.00 C ATOM 1197 O GLU A 72 3.037 25.862 4.656 1.00 15.00 O ATOM 1198 CB GLU A 72 4.571 23.836 5.715 1.00 15.00 C ATOM 1199 CG GLU A 72 3.465 23.865 6.768 1.00 15.00 C ATOM 1200 CD GLU A 72 2.557 22.686 6.738 1.00 15.00 C ATOM 1201 OE1 GLU A 72 1.532 22.744 6.010 1.00 15.00 O ATOM 1202 OE2 GLU A 72 2.802 21.721 7.493 1.00 15.00 O ATOM 0 H GLU A 72 6.101 24.181 4.057 1.00 15.00 H new ATOM 0 HA GLU A 72 3.639 22.804 3.961 1.00 15.00 H new ATOM 0 HB2 GLU A 72 5.217 22.983 5.923 1.00 15.00 H new ATOM 0 HB3 GLU A 72 5.179 24.733 5.835 1.00 15.00 H new ATOM 0 HG2 GLU A 72 3.922 23.932 7.755 1.00 15.00 H new ATOM 0 HG3 GLU A 72 2.872 24.769 6.630 1.00 15.00 H new ATOM 1209 N LEU A 73 2.407 24.808 2.818 1.00 15.00 N ATOM 1210 CA LEU A 73 1.302 25.717 2.557 1.00 15.00 C ATOM 1211 C LEU A 73 -0.002 24.937 2.522 1.00 15.00 C ATOM 1212 O LEU A 73 -1.006 25.413 1.987 1.00 15.00 O ATOM 1213 CB LEU A 73 1.507 26.386 1.190 1.00 15.00 C ATOM 1214 CG LEU A 73 2.797 27.180 1.000 1.00 15.00 C ATOM 1215 CD1 LEU A 73 2.865 27.739 -0.408 1.00 15.00 C ATOM 1216 CD2 LEU A 73 2.875 28.307 2.012 1.00 15.00 C ATOM 0 H LEU A 73 2.597 24.146 2.065 1.00 15.00 H new ATOM 0 HA LEU A 73 1.264 26.470 3.344 1.00 15.00 H new ATOM 0 HB2 LEU A 73 1.468 25.612 0.424 1.00 15.00 H new ATOM 0 HB3 LEU A 73 0.666 27.056 1.010 1.00 15.00 H new ATOM 0 HG LEU A 73 3.644 26.511 1.155 1.00 15.00 H new ATOM 0 HD11 LEU A 73 3.789 28.303 -0.531 1.00 15.00 H new ATOM 0 HD12 LEU A 73 2.842 26.920 -1.126 1.00 15.00 H new ATOM 0 HD13 LEU A 73 2.013 28.397 -0.580 1.00 15.00 H new ATOM 0 HD21 LEU A 73 3.800 28.865 1.865 1.00 15.00 H new ATOM 0 HD22 LEU A 73 2.024 28.975 1.879 1.00 15.00 H new ATOM 0 HD23 LEU A 73 2.858 27.893 3.020 1.00 15.00 H new ATOM 1228 N ILE A 74 -0.013 23.762 3.106 1.00 15.00 N ATOM 1229 CA ILE A 74 -1.146 22.881 2.876 1.00 15.00 C ATOM 1230 C ILE A 74 -2.104 22.814 4.090 1.00 15.00 C ATOM 1231 O ILE A 74 -1.894 21.953 5.024 1.00 15.00 O ATOM 1232 CB ILE A 74 -0.719 21.483 2.310 1.00 15.00 C ATOM 1233 CG1 ILE A 74 -1.927 20.583 2.021 1.00 15.00 C ATOM 1234 CG2 ILE A 74 0.311 20.784 3.196 1.00 15.00 C ATOM 1235 CD1 ILE A 74 -2.824 21.109 0.924 1.00 15.00 C ATOM 0 H ILE A 74 0.715 23.399 3.721 1.00 15.00 H new ATOM 0 HA ILE A 74 -1.739 23.331 2.080 1.00 15.00 H new ATOM 0 HB ILE A 74 -0.230 21.676 1.355 1.00 15.00 H new ATOM 0 HG12 ILE A 74 -1.572 19.590 1.744 1.00 15.00 H new ATOM 0 HG13 ILE A 74 -2.512 20.469 2.934 1.00 15.00 H new ATOM 0 HG21 ILE A 74 0.573 19.820 2.759 1.00 15.00 H new ATOM 0 HG22 ILE A 74 1.205 21.403 3.272 1.00 15.00 H new ATOM 0 HG23 ILE A 74 -0.109 20.630 4.190 1.00 15.00 H new ATOM 0 HD11 ILE A 74 -3.657 20.422 0.774 1.00 15.00 H new ATOM 0 HD12 ILE A 74 -3.209 22.089 1.207 1.00 15.00 H new ATOM 0 HD13 ILE A 74 -2.254 21.196 -0.001 1.00 15.00 H new TER 1247 ILE A 74