USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 777 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 32 THR OG1 : rot 150:sc= 0 USER MOD Set 1.2: A 82 SER OG : rot -36:sc= -3.84! USER MOD Set 1.3: A 84 ASN : amide:sc= -10.7! C(o=-15!,f=-30!) USER MOD Set 2.1: A 26 SER OG : rot 10:sc= 0.431! USER MOD Set 2.2: A 27 ASN : amide:sc= -5.76! C(o=-5.3!,f=-12!) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0014 USER MOD Single : A 9 CYS SG : rot 60:sc= -2.8! USER MOD Single : A 12 ASN :FLIP amide:sc= -2.87! C(o=-3.9!,f=-2.9!) USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= -0.38 (180deg=-1.75!) USER MOD Single : A 19 LYS NZ :NH3+ -157:sc= -0.197 (180deg=-0.851) USER MOD Single : A 20 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.23) USER MOD Single : A 23 GLN : amide:sc= 1.06 K(o=1.1,f=-0.33) USER MOD Single : A 25 LYS NZ :NH3+ -124:sc= -3.83! (180deg=-6.68!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= -0.249 (180deg=-0.906) USER MOD Single : A 36 TYR OH : rot 28:sc= -6.05! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.281 K(o=-0.28,f=-3.2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -160:sc= -0.931 USER MOD Single : A 61 LYS NZ :NH3+ -123:sc= -0.0236 (180deg=-1.6!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.948 USER MOD Single : A 64 GLN : amide:sc= -0.63 X(o=-0.63,f=-0.29) USER MOD Single : A 73 LYS NZ :NH3+ 138:sc= -0.282 (180deg=-0.79) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -108:sc= 0.791 USER MOD Single : A 78 SER OG : rot 170:sc=-0.00428 USER MOD Single : A 79 HIS : no HE2:sc= -8.3! C(o=-8.3!,f=-15!) USER MOD Single : A 83 SER OG : rot -95:sc= 0.849 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N TRP A 2 9.297 -11.357 -6.671 1.00 0.00 N ATOM 14 CA TRP A 2 8.089 -10.512 -6.835 1.00 0.00 C ATOM 15 C TRP A 2 6.873 -11.134 -6.151 1.00 0.00 C ATOM 16 O TRP A 2 6.158 -11.913 -6.749 1.00 0.00 O ATOM 17 CB TRP A 2 7.791 -10.403 -8.344 1.00 0.00 C ATOM 18 CG TRP A 2 8.400 -9.116 -8.911 1.00 0.00 C ATOM 19 CD1 TRP A 2 9.340 -8.394 -8.309 1.00 0.00 C ATOM 20 CD2 TRP A 2 8.024 -8.560 -10.037 1.00 0.00 C ATOM 21 NE1 TRP A 2 9.509 -7.347 -9.139 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.706 -7.381 -10.264 1.00 0.00 C ATOM 23 CE3 TRP A 2 7.099 -9.010 -10.967 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.462 -6.651 -11.407 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.863 -8.279 -12.110 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.545 -7.098 -12.329 1.00 0.00 C ATOM 0 HA TRP A 2 8.277 -9.538 -6.383 1.00 0.00 H new ATOM 0 HB2 TRP A 2 8.199 -11.268 -8.866 1.00 0.00 H new ATOM 0 HB3 TRP A 2 6.714 -10.409 -8.511 1.00 0.00 H new ATOM 0 HD1 TRP A 2 9.847 -8.598 -7.377 1.00 0.00 H new ATOM 0 HE1 TRP A 2 10.172 -6.594 -8.954 1.00 0.00 H new ATOM 0 HE3 TRP A 2 6.564 -9.933 -10.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 8.992 -5.726 -11.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 6.144 -8.629 -12.836 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.358 -6.525 -13.225 1.00 0.00 H new ATOM 37 N VAL A 3 6.652 -10.774 -4.910 1.00 0.00 N ATOM 38 CA VAL A 3 5.481 -11.346 -4.192 1.00 0.00 C ATOM 39 C VAL A 3 5.092 -10.490 -2.984 1.00 0.00 C ATOM 40 O VAL A 3 5.551 -10.723 -1.883 1.00 0.00 O ATOM 41 CB VAL A 3 5.866 -12.751 -3.686 1.00 0.00 C ATOM 42 CG1 VAL A 3 5.585 -13.794 -4.778 1.00 0.00 C ATOM 43 CG2 VAL A 3 7.361 -12.769 -3.352 1.00 0.00 C ATOM 0 H VAL A 3 7.223 -10.120 -4.375 1.00 0.00 H new ATOM 0 HA VAL A 3 4.635 -11.381 -4.878 1.00 0.00 H new ATOM 0 HB VAL A 3 5.279 -12.989 -2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.859 -14.784 -4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.525 -13.781 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.172 -13.558 -5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.642 -13.759 -2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.937 -12.530 -4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.570 -12.030 -2.578 1.00 0.00 H new ATOM 53 N ILE A 4 4.251 -9.510 -3.213 1.00 0.00 N ATOM 54 CA ILE A 4 3.827 -8.639 -2.091 1.00 0.00 C ATOM 55 C ILE A 4 2.538 -7.869 -2.439 1.00 0.00 C ATOM 56 O ILE A 4 2.584 -6.758 -2.925 1.00 0.00 O ATOM 57 CB ILE A 4 4.950 -7.637 -1.835 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.565 -6.705 -0.695 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.167 -6.798 -3.107 1.00 0.00 C ATOM 60 CD1 ILE A 4 5.785 -5.874 -0.292 1.00 0.00 C ATOM 0 H ILE A 4 3.847 -9.283 -4.122 1.00 0.00 H new ATOM 0 HA ILE A 4 3.627 -9.252 -1.212 1.00 0.00 H new ATOM 0 HB ILE A 4 5.860 -8.175 -1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.750 -6.050 -1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.205 -7.282 0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.967 -6.078 -2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.440 -7.454 -3.934 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.248 -6.267 -3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.515 -5.204 0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.586 -6.538 0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.124 -5.287 -1.146 1.00 0.00 H new ATOM 72 N PRO A 5 1.404 -8.489 -2.181 1.00 0.00 N ATOM 73 CA PRO A 5 0.109 -7.862 -2.466 1.00 0.00 C ATOM 74 C PRO A 5 -0.146 -6.569 -1.650 1.00 0.00 C ATOM 75 O PRO A 5 -0.650 -5.597 -2.177 1.00 0.00 O ATOM 76 CB PRO A 5 -0.941 -8.939 -2.100 1.00 0.00 C ATOM 77 CG PRO A 5 -0.161 -10.237 -1.716 1.00 0.00 C ATOM 78 CD PRO A 5 1.338 -9.880 -1.692 1.00 0.00 C ATOM 0 HA PRO A 5 0.065 -7.547 -3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.562 -8.604 -1.269 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.608 -9.126 -2.941 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.484 -10.606 -0.742 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.356 -11.030 -2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.749 -9.965 -0.686 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.914 -10.551 -2.329 1.00 0.00 H new ATOM 86 N PRO A 6 0.200 -6.589 -0.376 1.00 0.00 N ATOM 87 CA PRO A 6 0.004 -5.428 0.492 1.00 0.00 C ATOM 88 C PRO A 6 1.042 -4.330 0.235 1.00 0.00 C ATOM 89 O PRO A 6 2.200 -4.607 -0.003 1.00 0.00 O ATOM 90 CB PRO A 6 0.196 -5.976 1.919 1.00 0.00 C ATOM 91 CG PRO A 6 0.742 -7.430 1.782 1.00 0.00 C ATOM 92 CD PRO A 6 0.773 -7.762 0.279 1.00 0.00 C ATOM 0 HA PRO A 6 -0.973 -4.976 0.320 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.893 -5.354 2.480 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.748 -5.969 2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.739 -7.509 2.215 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.105 -8.133 2.319 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.791 -7.948 -0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.194 -8.659 0.060 1.00 0.00 H new ATOM 100 N ILE A 7 0.596 -3.101 0.289 1.00 0.00 N ATOM 101 CA ILE A 7 1.525 -1.963 0.054 1.00 0.00 C ATOM 102 C ILE A 7 1.065 -0.732 0.821 1.00 0.00 C ATOM 103 O ILE A 7 -0.030 -0.705 1.337 1.00 0.00 O ATOM 104 CB ILE A 7 1.555 -1.662 -1.450 1.00 0.00 C ATOM 105 CG1 ILE A 7 2.508 -2.649 -2.121 1.00 0.00 C ATOM 106 CG2 ILE A 7 2.073 -0.213 -1.671 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.828 -2.185 -3.539 1.00 0.00 C ATOM 0 H ILE A 7 -0.370 -2.840 0.486 1.00 0.00 H new ATOM 0 HA ILE A 7 2.523 -2.227 0.404 1.00 0.00 H new ATOM 0 HB ILE A 7 0.556 -1.758 -1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.427 -2.731 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.058 -3.641 -2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.096 0.006 -2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.409 0.491 -1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.078 -0.119 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.508 -2.895 -4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.907 -2.126 -4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.298 -1.202 -3.503 1.00 0.00 H new ATOM 119 N SER A 8 1.918 0.264 0.884 1.00 0.00 N ATOM 120 CA SER A 8 1.552 1.516 1.619 1.00 0.00 C ATOM 121 C SER A 8 1.706 2.745 0.731 1.00 0.00 C ATOM 122 O SER A 8 2.590 2.801 -0.101 1.00 0.00 O ATOM 123 CB SER A 8 2.503 1.658 2.816 1.00 0.00 C ATOM 124 OG SER A 8 3.752 1.201 2.321 1.00 0.00 O ATOM 0 H SER A 8 2.846 0.264 0.461 1.00 0.00 H new ATOM 0 HA SER A 8 0.511 1.448 1.936 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.563 2.692 3.157 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.168 1.061 3.664 1.00 0.00 H new ATOM 0 HG SER A 8 4.426 1.260 3.030 1.00 0.00 H new ATOM 130 N CYS A 9 0.828 3.712 0.928 1.00 0.00 N ATOM 131 CA CYS A 9 0.895 4.958 0.110 1.00 0.00 C ATOM 132 C CYS A 9 0.898 6.198 1.028 1.00 0.00 C ATOM 133 O CYS A 9 0.231 6.215 2.043 1.00 0.00 O ATOM 134 CB CYS A 9 -0.344 5.010 -0.794 1.00 0.00 C ATOM 135 SG CYS A 9 -0.140 4.461 -2.506 1.00 0.00 S ATOM 0 H CYS A 9 0.076 3.685 1.617 1.00 0.00 H new ATOM 0 HA CYS A 9 1.808 4.955 -0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.123 4.402 -0.335 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.708 6.037 -0.809 1.00 0.00 H new ATOM 0 HG CYS A 9 0.251 3.221 -2.520 1.00 0.00 H new ATOM 141 N PRO A 10 1.654 7.222 0.647 1.00 0.00 N ATOM 142 CA PRO A 10 1.736 8.449 1.440 1.00 0.00 C ATOM 143 C PRO A 10 0.426 9.216 1.500 1.00 0.00 C ATOM 144 O PRO A 10 -0.314 9.301 0.528 1.00 0.00 O ATOM 145 CB PRO A 10 2.788 9.315 0.724 1.00 0.00 C ATOM 146 CG PRO A 10 3.133 8.605 -0.618 1.00 0.00 C ATOM 147 CD PRO A 10 2.474 7.219 -0.576 1.00 0.00 C ATOM 0 HA PRO A 10 1.987 8.205 2.472 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.401 10.317 0.541 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.680 9.426 1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.763 9.182 -1.466 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.212 8.515 -0.740 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.862 7.047 -1.461 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.222 6.427 -0.547 1.00 0.00 H new ATOM 155 N GLU A 11 0.180 9.773 2.649 1.00 0.00 N ATOM 156 CA GLU A 11 -1.046 10.545 2.853 1.00 0.00 C ATOM 157 C GLU A 11 -0.735 12.031 2.867 1.00 0.00 C ATOM 158 O GLU A 11 0.353 12.434 3.222 1.00 0.00 O ATOM 159 CB GLU A 11 -1.615 10.159 4.216 1.00 0.00 C ATOM 160 CG GLU A 11 -3.078 10.539 4.256 1.00 0.00 C ATOM 161 CD GLU A 11 -3.424 11.092 5.641 1.00 0.00 C ATOM 162 OE1 GLU A 11 -2.725 10.712 6.565 1.00 0.00 O ATOM 163 OE2 GLU A 11 -4.369 11.862 5.697 1.00 0.00 O ATOM 0 H GLU A 11 0.794 9.718 3.462 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.752 10.336 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.498 9.089 4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.070 10.669 5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.292 11.285 3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.697 9.669 4.035 1.00 0.00 H new ATOM 170 N ASN A 12 -1.686 12.823 2.478 1.00 0.00 N ATOM 171 CA ASN A 12 -1.444 14.281 2.471 1.00 0.00 C ATOM 172 C ASN A 12 -0.118 14.607 1.789 1.00 0.00 C ATOM 173 O ASN A 12 0.375 15.714 1.885 1.00 0.00 O ATOM 174 CB ASN A 12 -1.377 14.757 3.931 1.00 0.00 C ATOM 175 CG ASN A 12 -2.620 14.272 4.681 1.00 0.00 C ATOM 176 OD1 ASN A 12 -2.470 13.528 5.743 1.00 0.00 O flip ATOM 177 ND2 ASN A 12 -3.739 14.567 4.308 1.00 0.00 N flip ATOM 0 H ASN A 12 -2.611 12.526 2.168 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.247 14.778 1.926 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.477 14.372 4.410 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.318 15.845 3.968 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.864 15.148 3.479 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.553 14.233 4.824 1.00 0.00 H new ATOM 184 N GLU A 13 0.437 13.635 1.115 1.00 0.00 N ATOM 185 CA GLU A 13 1.728 13.874 0.424 1.00 0.00 C ATOM 186 C GLU A 13 1.702 15.212 -0.319 1.00 0.00 C ATOM 187 O GLU A 13 0.673 15.626 -0.817 1.00 0.00 O ATOM 188 CB GLU A 13 1.964 12.705 -0.579 1.00 0.00 C ATOM 189 CG GLU A 13 1.954 13.225 -2.020 1.00 0.00 C ATOM 190 CD GLU A 13 2.053 12.041 -2.986 1.00 0.00 C ATOM 191 OE1 GLU A 13 3.146 11.509 -3.079 1.00 0.00 O ATOM 192 OE2 GLU A 13 1.029 11.736 -3.575 1.00 0.00 O ATOM 0 H GLU A 13 0.053 12.695 1.016 1.00 0.00 H new ATOM 0 HA GLU A 13 2.537 13.915 1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.918 12.223 -0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.190 11.948 -0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.040 13.788 -2.209 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.788 13.909 -2.178 1.00 0.00 H new ATOM 199 N LYS A 14 2.838 15.865 -0.369 1.00 0.00 N ATOM 200 CA LYS A 14 2.907 17.180 -1.070 1.00 0.00 C ATOM 201 C LYS A 14 4.177 17.283 -1.906 1.00 0.00 C ATOM 202 O LYS A 14 5.163 16.632 -1.622 1.00 0.00 O ATOM 203 CB LYS A 14 2.919 18.294 -0.010 1.00 0.00 C ATOM 204 CG LYS A 14 4.061 18.041 0.978 1.00 0.00 C ATOM 205 CD LYS A 14 3.949 19.034 2.139 1.00 0.00 C ATOM 206 CE LYS A 14 2.893 18.536 3.130 1.00 0.00 C ATOM 207 NZ LYS A 14 3.115 17.098 3.451 1.00 0.00 N ATOM 0 H LYS A 14 3.714 15.545 0.043 1.00 0.00 H new ATOM 0 HA LYS A 14 2.046 17.277 -1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.045 19.265 -0.488 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.966 18.320 0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.015 17.018 1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.023 18.154 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.912 19.138 2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.676 20.020 1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.935 19.129 4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.897 18.671 2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.784 16.903 4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.586 16.507 2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.129 16.879 3.381 1.00 0.00 H new ATOM 221 N GLY A 15 4.129 18.104 -2.924 1.00 0.00 N ATOM 222 CA GLY A 15 5.328 18.269 -3.797 1.00 0.00 C ATOM 223 C GLY A 15 4.905 18.399 -5.262 1.00 0.00 C ATOM 224 O GLY A 15 3.939 19.067 -5.572 1.00 0.00 O ATOM 0 H GLY A 15 3.317 18.663 -3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.888 19.153 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.993 17.414 -3.678 1.00 0.00 H new ATOM 228 N GLU A 16 5.642 17.749 -6.130 1.00 0.00 N ATOM 229 CA GLU A 16 5.309 17.814 -7.581 1.00 0.00 C ATOM 230 C GLU A 16 4.702 16.503 -8.068 1.00 0.00 C ATOM 231 O GLU A 16 5.128 15.436 -7.673 1.00 0.00 O ATOM 232 CB GLU A 16 6.611 18.069 -8.357 1.00 0.00 C ATOM 233 CG GLU A 16 6.309 18.061 -9.854 1.00 0.00 C ATOM 234 CD GLU A 16 7.597 18.333 -10.631 1.00 0.00 C ATOM 235 OE1 GLU A 16 8.467 18.949 -10.038 1.00 0.00 O ATOM 236 OE2 GLU A 16 7.638 17.910 -11.776 1.00 0.00 O ATOM 0 H GLU A 16 6.455 17.180 -5.895 1.00 0.00 H new ATOM 0 HA GLU A 16 4.583 18.611 -7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.041 19.027 -8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.348 17.302 -8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.890 17.098 -10.147 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.562 18.819 -10.090 1.00 0.00 H new ATOM 243 N PHE A 17 3.711 16.616 -8.926 1.00 0.00 N ATOM 244 CA PHE A 17 3.045 15.397 -9.467 1.00 0.00 C ATOM 245 C PHE A 17 3.282 15.289 -10.978 1.00 0.00 C ATOM 246 O PHE A 17 3.478 16.285 -11.646 1.00 0.00 O ATOM 247 CB PHE A 17 1.531 15.527 -9.210 1.00 0.00 C ATOM 248 CG PHE A 17 1.265 15.367 -7.713 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.645 14.212 -7.049 1.00 0.00 C ATOM 250 CD2 PHE A 17 0.655 16.383 -6.997 1.00 0.00 C ATOM 251 CE1 PHE A 17 1.422 14.081 -5.695 1.00 0.00 C ATOM 252 CE2 PHE A 17 0.434 16.247 -5.643 1.00 0.00 C ATOM 253 CZ PHE A 17 0.818 15.098 -4.994 1.00 0.00 C ATOM 0 H PHE A 17 3.340 17.501 -9.271 1.00 0.00 H new ATOM 0 HA PHE A 17 3.451 14.510 -8.981 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.173 16.497 -9.555 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.987 14.768 -9.772 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.119 13.410 -7.595 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.350 17.288 -7.502 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.722 13.178 -5.184 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.042 17.045 -5.091 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.645 14.994 -3.933 1.00 0.00 H new ATOM 263 N PRO A 18 3.259 14.072 -11.493 1.00 0.00 N ATOM 264 CA PRO A 18 3.059 12.856 -10.693 1.00 0.00 C ATOM 265 C PRO A 18 4.308 12.504 -9.879 1.00 0.00 C ATOM 266 O PRO A 18 5.364 13.069 -10.083 1.00 0.00 O ATOM 267 CB PRO A 18 2.808 11.746 -11.737 1.00 0.00 C ATOM 268 CG PRO A 18 3.067 12.366 -13.146 1.00 0.00 C ATOM 269 CD PRO A 18 3.389 13.854 -12.934 1.00 0.00 C ATOM 0 HA PRO A 18 2.243 12.981 -9.981 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.470 10.898 -11.563 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.786 11.373 -11.663 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.895 11.860 -13.643 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.192 12.249 -13.785 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.395 14.092 -13.279 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.701 14.489 -13.492 1.00 0.00 H new ATOM 277 N LYS A 19 4.151 11.576 -8.964 1.00 0.00 N ATOM 278 CA LYS A 19 5.307 11.163 -8.118 1.00 0.00 C ATOM 279 C LYS A 19 5.373 9.642 -8.002 1.00 0.00 C ATOM 280 O LYS A 19 4.390 8.998 -7.707 1.00 0.00 O ATOM 281 CB LYS A 19 5.112 11.765 -6.716 1.00 0.00 C ATOM 282 CG LYS A 19 6.342 11.468 -5.859 1.00 0.00 C ATOM 283 CD LYS A 19 6.161 12.122 -4.488 1.00 0.00 C ATOM 284 CE LYS A 19 7.367 11.790 -3.610 1.00 0.00 C ATOM 285 NZ LYS A 19 7.596 10.320 -3.577 1.00 0.00 N ATOM 0 H LYS A 19 3.275 11.091 -8.770 1.00 0.00 H new ATOM 0 HA LYS A 19 6.233 11.516 -8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.958 12.842 -6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.220 11.346 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.473 10.392 -5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.240 11.851 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.062 13.202 -4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.245 11.764 -4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.254 12.294 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.202 12.161 -2.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.128 10.071 -2.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.681 9.826 -3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.140 10.034 -4.416 1.00 0.00 H new ATOM 299 N ASN A 20 6.536 9.097 -8.235 1.00 0.00 N ATOM 300 CA ASN A 20 6.686 7.621 -8.144 1.00 0.00 C ATOM 301 C ASN A 20 6.685 7.150 -6.693 1.00 0.00 C ATOM 302 O ASN A 20 7.285 7.774 -5.840 1.00 0.00 O ATOM 303 CB ASN A 20 8.024 7.236 -8.780 1.00 0.00 C ATOM 304 CG ASN A 20 8.029 7.661 -10.249 1.00 0.00 C ATOM 305 OD1 ASN A 20 8.356 8.783 -10.582 1.00 0.00 O ATOM 306 ND2 ASN A 20 7.673 6.795 -11.160 1.00 0.00 N ATOM 0 H ASN A 20 7.383 9.608 -8.483 1.00 0.00 H new ATOM 0 HA ASN A 20 5.848 7.151 -8.659 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.844 7.718 -8.248 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.181 6.160 -8.701 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.671 7.062 -12.144 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.397 5.852 -10.887 1.00 0.00 H new ATOM 313 N LEU A 21 6.008 6.045 -6.444 1.00 0.00 N ATOM 314 CA LEU A 21 5.950 5.506 -5.051 1.00 0.00 C ATOM 315 C LEU A 21 6.710 4.192 -4.933 1.00 0.00 C ATOM 316 O LEU A 21 7.668 4.095 -4.193 1.00 0.00 O ATOM 317 CB LEU A 21 4.479 5.237 -4.684 1.00 0.00 C ATOM 318 CG LEU A 21 3.676 6.547 -4.699 1.00 0.00 C ATOM 319 CD1 LEU A 21 2.376 6.336 -3.924 1.00 0.00 C ATOM 320 CD2 LEU A 21 4.477 7.662 -4.020 1.00 0.00 C ATOM 0 H LEU A 21 5.500 5.502 -7.142 1.00 0.00 H new ATOM 0 HA LEU A 21 6.402 6.240 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.045 4.529 -5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.422 4.779 -3.697 1.00 0.00 H new ATOM 0 HG LEU A 21 3.467 6.829 -5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.797 7.259 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.796 5.542 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.607 6.056 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.899 8.586 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.686 7.383 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.416 7.812 -4.553 1.00 0.00 H new ATOM 332 N VAL A 22 6.275 3.197 -5.661 1.00 0.00 N ATOM 333 CA VAL A 22 6.977 1.888 -5.582 1.00 0.00 C ATOM 334 C VAL A 22 6.675 1.012 -6.792 1.00 0.00 C ATOM 335 O VAL A 22 5.709 1.227 -7.497 1.00 0.00 O ATOM 336 CB VAL A 22 6.502 1.160 -4.316 1.00 0.00 C ATOM 337 CG1 VAL A 22 5.128 0.538 -4.577 1.00 0.00 C ATOM 338 CG2 VAL A 22 7.500 0.053 -3.967 1.00 0.00 C ATOM 0 H VAL A 22 5.478 3.234 -6.296 1.00 0.00 H new ATOM 0 HA VAL A 22 8.051 2.073 -5.557 1.00 0.00 H new ATOM 0 HB VAL A 22 6.433 1.867 -3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.787 0.020 -3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.417 1.322 -4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.201 -0.172 -5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.167 -0.467 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.562 -0.655 -4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.482 0.491 -3.790 1.00 0.00 H new ATOM 348 N GLN A 23 7.517 0.036 -7.008 1.00 0.00 N ATOM 349 CA GLN A 23 7.311 -0.872 -8.159 1.00 0.00 C ATOM 350 C GLN A 23 6.342 -1.996 -7.804 1.00 0.00 C ATOM 351 O GLN A 23 6.310 -2.459 -6.681 1.00 0.00 O ATOM 352 CB GLN A 23 8.669 -1.488 -8.528 1.00 0.00 C ATOM 353 CG GLN A 23 8.859 -1.414 -10.043 1.00 0.00 C ATOM 354 CD GLN A 23 9.899 -2.450 -10.469 1.00 0.00 C ATOM 355 OE1 GLN A 23 10.849 -2.720 -9.761 1.00 0.00 O ATOM 356 NE2 GLN A 23 9.759 -3.053 -11.619 1.00 0.00 N ATOM 0 H GLN A 23 8.336 -0.166 -6.434 1.00 0.00 H new ATOM 0 HA GLN A 23 6.892 -0.306 -8.991 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.474 -0.954 -8.022 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.715 -2.525 -8.194 1.00 0.00 H new ATOM 0 HG2 GLN A 23 7.912 -1.601 -10.550 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.184 -0.415 -10.333 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.964 -2.831 -12.218 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.445 -3.746 -11.918 1.00 0.00 H new ATOM 365 N ILE A 24 5.570 -2.418 -8.774 1.00 0.00 N ATOM 366 CA ILE A 24 4.598 -3.510 -8.512 1.00 0.00 C ATOM 367 C ILE A 24 5.237 -4.877 -8.759 1.00 0.00 C ATOM 368 O ILE A 24 6.232 -4.983 -9.448 1.00 0.00 O ATOM 369 CB ILE A 24 3.397 -3.327 -9.463 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.319 -2.482 -8.785 1.00 0.00 C ATOM 371 CG2 ILE A 24 2.802 -4.709 -9.807 1.00 0.00 C ATOM 372 CD1 ILE A 24 1.516 -3.359 -7.816 1.00 0.00 C ATOM 0 H ILE A 24 5.574 -2.054 -9.727 1.00 0.00 H new ATOM 0 HA ILE A 24 4.277 -3.466 -7.471 1.00 0.00 H new ATOM 0 HB ILE A 24 3.736 -2.827 -10.371 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.777 -1.652 -8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.657 -2.049 -9.534 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.953 -4.583 -10.479 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.562 -5.321 -10.293 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.471 -5.200 -8.892 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.747 -2.757 -7.332 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.046 -4.174 -8.367 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.184 -3.771 -7.059 1.00 0.00 H new ATOM 384 N LYS A 25 4.646 -5.898 -8.183 1.00 0.00 N ATOM 385 CA LYS A 25 5.195 -7.267 -8.365 1.00 0.00 C ATOM 386 C LYS A 25 4.075 -8.296 -8.529 1.00 0.00 C ATOM 387 O LYS A 25 3.091 -8.260 -7.819 1.00 0.00 O ATOM 388 CB LYS A 25 6.005 -7.622 -7.116 1.00 0.00 C ATOM 389 CG LYS A 25 6.825 -6.403 -6.691 1.00 0.00 C ATOM 390 CD LYS A 25 7.883 -6.834 -5.673 1.00 0.00 C ATOM 391 CE LYS A 25 8.428 -5.597 -4.960 1.00 0.00 C ATOM 392 NZ LYS A 25 7.338 -4.895 -4.224 1.00 0.00 N ATOM 0 H LYS A 25 3.812 -5.837 -7.599 1.00 0.00 H new ATOM 0 HA LYS A 25 5.813 -7.285 -9.263 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.339 -7.927 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.664 -8.466 -7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.303 -5.951 -7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.173 -5.646 -6.256 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.449 -7.524 -4.949 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.692 -7.365 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.215 -5.888 -4.265 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.879 -4.921 -5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.287 -3.906 -4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.431 -5.367 -4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.535 -4.922 -3.203 1.00 0.00 H new ATOM 406 N SER A 26 4.257 -9.197 -9.468 1.00 0.00 N ATOM 407 CA SER A 26 3.224 -10.244 -9.707 1.00 0.00 C ATOM 408 C SER A 26 3.713 -11.602 -9.227 1.00 0.00 C ATOM 409 O SER A 26 3.993 -11.793 -8.061 1.00 0.00 O ATOM 410 CB SER A 26 2.965 -10.326 -11.218 1.00 0.00 C ATOM 411 OG SER A 26 2.038 -11.394 -11.356 1.00 0.00 O ATOM 0 H SER A 26 5.075 -9.248 -10.075 1.00 0.00 H new ATOM 0 HA SER A 26 2.317 -9.983 -9.162 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.556 -9.392 -11.603 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.884 -10.523 -11.769 1.00 0.00 H new ATOM 0 HG SER A 26 1.706 -11.656 -10.472 1.00 0.00 H new ATOM 417 N ASN A 27 3.804 -12.523 -10.141 1.00 0.00 N ATOM 418 CA ASN A 27 4.271 -13.876 -9.773 1.00 0.00 C ATOM 419 C ASN A 27 4.735 -14.624 -11.013 1.00 0.00 C ATOM 420 O ASN A 27 5.808 -15.188 -11.037 1.00 0.00 O ATOM 421 CB ASN A 27 3.099 -14.642 -9.135 1.00 0.00 C ATOM 422 CG ASN A 27 1.819 -14.363 -9.925 1.00 0.00 C ATOM 423 OD1 ASN A 27 1.315 -13.258 -9.942 1.00 0.00 O ATOM 424 ND2 ASN A 27 1.261 -15.338 -10.591 1.00 0.00 N ATOM 0 H ASN A 27 3.574 -12.393 -11.126 1.00 0.00 H new ATOM 0 HA ASN A 27 5.103 -13.796 -9.073 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.310 -15.711 -9.129 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.972 -14.336 -8.097 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.406 -15.169 -11.122 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.680 -16.268 -10.580 1.00 0.00 H new ATOM 431 N ARG A 28 3.918 -14.604 -12.028 1.00 0.00 N ATOM 432 CA ARG A 28 4.296 -15.309 -13.277 1.00 0.00 C ATOM 433 C ARG A 28 5.603 -14.752 -13.828 1.00 0.00 C ATOM 434 O ARG A 28 6.151 -15.269 -14.782 1.00 0.00 O ATOM 435 CB ARG A 28 3.189 -15.082 -14.319 1.00 0.00 C ATOM 436 CG ARG A 28 1.823 -15.235 -13.647 1.00 0.00 C ATOM 437 CD ARG A 28 1.753 -16.598 -12.958 1.00 0.00 C ATOM 438 NE ARG A 28 2.108 -17.659 -13.942 1.00 0.00 N ATOM 439 CZ ARG A 28 1.738 -18.889 -13.721 1.00 0.00 C ATOM 440 NH1 ARG A 28 1.556 -19.279 -12.489 1.00 0.00 N ATOM 441 NH2 ARG A 28 1.562 -19.689 -14.737 1.00 0.00 N ATOM 0 H ARG A 28 3.013 -14.134 -12.045 1.00 0.00 H new ATOM 0 HA ARG A 28 4.422 -16.371 -13.065 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.283 -14.088 -14.756 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.288 -15.799 -15.134 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.671 -14.438 -12.919 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.028 -15.147 -14.387 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.438 -16.627 -12.110 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.751 -16.770 -12.565 1.00 0.00 H new ATOM 0 HE ARG A 28 2.637 -17.424 -14.782 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.703 -18.625 -11.720 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.266 -20.238 -12.295 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.714 -19.349 -15.686 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.273 -20.655 -14.582 1.00 0.00 H new ATOM 455 N ASP A 29 6.083 -13.708 -13.209 1.00 0.00 N ATOM 456 CA ASP A 29 7.352 -13.098 -13.678 1.00 0.00 C ATOM 457 C ASP A 29 8.513 -14.073 -13.526 1.00 0.00 C ATOM 458 O ASP A 29 9.660 -13.702 -13.678 1.00 0.00 O ATOM 459 CB ASP A 29 7.631 -11.846 -12.824 1.00 0.00 C ATOM 460 CG ASP A 29 8.418 -12.243 -11.571 1.00 0.00 C ATOM 461 OD1 ASP A 29 7.967 -13.171 -10.919 1.00 0.00 O ATOM 462 OD2 ASP A 29 9.425 -11.596 -11.337 1.00 0.00 O ATOM 0 H ASP A 29 5.651 -13.255 -12.403 1.00 0.00 H new ATOM 0 HA ASP A 29 7.256 -12.839 -14.732 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.196 -11.116 -13.404 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.692 -11.370 -12.540 1.00 0.00 H new ATOM 467 N LYS A 30 8.189 -15.306 -13.232 1.00 0.00 N ATOM 468 CA LYS A 30 9.255 -16.329 -13.064 1.00 0.00 C ATOM 469 C LYS A 30 9.359 -17.214 -14.300 1.00 0.00 C ATOM 470 O LYS A 30 10.391 -17.800 -14.558 1.00 0.00 O ATOM 471 CB LYS A 30 8.889 -17.211 -11.859 1.00 0.00 C ATOM 472 CG LYS A 30 9.146 -16.433 -10.565 1.00 0.00 C ATOM 473 CD LYS A 30 9.834 -17.354 -9.554 1.00 0.00 C ATOM 474 CE LYS A 30 9.696 -16.754 -8.152 1.00 0.00 C ATOM 475 NZ LYS A 30 10.935 -16.992 -7.357 1.00 0.00 N ATOM 0 H LYS A 30 7.236 -15.644 -13.102 1.00 0.00 H new ATOM 0 HA LYS A 30 10.210 -15.826 -12.913 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.842 -17.508 -11.916 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.481 -18.126 -11.870 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.771 -15.563 -10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.206 -16.062 -10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.385 -18.347 -9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.887 -17.473 -9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.504 -15.684 -8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.840 -17.197 -7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.824 -16.579 -6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.101 -18.015 -7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.745 -16.549 -7.835 1.00 0.00 H new ATOM 489 N GLU A 31 8.282 -17.292 -15.045 1.00 0.00 N ATOM 490 CA GLU A 31 8.295 -18.136 -16.271 1.00 0.00 C ATOM 491 C GLU A 31 8.496 -17.287 -17.522 1.00 0.00 C ATOM 492 O GLU A 31 9.119 -17.721 -18.473 1.00 0.00 O ATOM 493 CB GLU A 31 6.938 -18.850 -16.379 1.00 0.00 C ATOM 494 CG GLU A 31 5.831 -17.898 -15.922 1.00 0.00 C ATOM 495 CD GLU A 31 4.474 -18.580 -16.098 1.00 0.00 C ATOM 496 OE1 GLU A 31 4.204 -19.463 -15.303 1.00 0.00 O ATOM 497 OE2 GLU A 31 3.783 -18.178 -17.021 1.00 0.00 O ATOM 0 H GLU A 31 7.403 -16.810 -14.855 1.00 0.00 H new ATOM 0 HA GLU A 31 9.116 -18.849 -16.199 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.761 -19.166 -17.407 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.937 -19.750 -15.764 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.980 -17.623 -14.878 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.866 -16.976 -16.502 1.00 0.00 H new ATOM 504 N THR A 32 7.966 -16.094 -17.505 1.00 0.00 N ATOM 505 CA THR A 32 8.123 -15.214 -18.691 1.00 0.00 C ATOM 506 C THR A 32 7.899 -13.751 -18.328 1.00 0.00 C ATOM 507 O THR A 32 7.043 -13.438 -17.523 1.00 0.00 O ATOM 508 CB THR A 32 7.071 -15.622 -19.735 1.00 0.00 C ATOM 509 OG1 THR A 32 7.580 -15.174 -20.973 1.00 0.00 O ATOM 510 CG2 THR A 32 5.766 -14.829 -19.543 1.00 0.00 C ATOM 0 H THR A 32 7.437 -15.696 -16.729 1.00 0.00 H new ATOM 0 HA THR A 32 9.136 -15.324 -19.078 1.00 0.00 H new ATOM 0 HB THR A 32 6.879 -16.693 -19.664 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.267 -15.766 -21.689 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.039 -15.137 -20.294 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.365 -15.024 -18.548 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.969 -13.763 -19.650 1.00 0.00 H new ATOM 518 N LYS A 33 8.676 -12.879 -18.924 1.00 0.00 N ATOM 519 CA LYS A 33 8.510 -11.436 -18.618 1.00 0.00 C ATOM 520 C LYS A 33 7.032 -11.089 -18.643 1.00 0.00 C ATOM 521 O LYS A 33 6.349 -11.397 -19.600 1.00 0.00 O ATOM 522 CB LYS A 33 9.238 -10.624 -19.705 1.00 0.00 C ATOM 523 CG LYS A 33 9.563 -9.221 -19.176 1.00 0.00 C ATOM 524 CD LYS A 33 10.993 -8.859 -19.582 1.00 0.00 C ATOM 525 CE LYS A 33 11.231 -7.373 -19.316 1.00 0.00 C ATOM 526 NZ LYS A 33 10.374 -6.897 -18.195 1.00 0.00 N ATOM 0 H LYS A 33 9.406 -13.106 -19.599 1.00 0.00 H new ATOM 0 HA LYS A 33 8.922 -11.207 -17.635 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.156 -11.133 -19.999 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.615 -10.551 -20.596 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.860 -8.493 -19.581 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.460 -9.194 -18.091 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.707 -9.460 -19.019 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.151 -9.082 -20.637 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.281 -7.205 -19.075 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.014 -6.798 -20.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.678 -5.945 -17.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.382 -6.864 -18.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.463 -7.549 -17.389 1.00 0.00 H new ATOM 540 N VAL A 34 6.562 -10.449 -17.596 1.00 0.00 N ATOM 541 CA VAL A 34 5.120 -10.082 -17.552 1.00 0.00 C ATOM 542 C VAL A 34 4.889 -8.586 -17.375 1.00 0.00 C ATOM 543 O VAL A 34 5.533 -7.933 -16.577 1.00 0.00 O ATOM 544 CB VAL A 34 4.491 -10.825 -16.359 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.281 -10.512 -15.091 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.054 -10.358 -16.176 1.00 0.00 C ATOM 0 H VAL A 34 7.111 -10.171 -16.783 1.00 0.00 H new ATOM 0 HA VAL A 34 4.668 -10.361 -18.504 1.00 0.00 H new ATOM 0 HB VAL A 34 4.511 -11.898 -16.549 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.836 -11.038 -14.246 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.314 -10.836 -15.217 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.258 -9.439 -14.903 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.606 -10.882 -15.332 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.042 -9.285 -15.985 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.484 -10.572 -17.080 1.00 0.00 H new ATOM 556 N PHE A 35 3.956 -8.079 -18.146 1.00 0.00 N ATOM 557 CA PHE A 35 3.620 -6.636 -18.079 1.00 0.00 C ATOM 558 C PHE A 35 2.389 -6.479 -17.210 1.00 0.00 C ATOM 559 O PHE A 35 1.654 -7.431 -17.033 1.00 0.00 O ATOM 560 CB PHE A 35 3.303 -6.122 -19.500 1.00 0.00 C ATOM 561 CG PHE A 35 4.607 -5.810 -20.247 1.00 0.00 C ATOM 562 CD1 PHE A 35 5.803 -6.399 -19.865 1.00 0.00 C ATOM 563 CD2 PHE A 35 4.607 -4.925 -21.311 1.00 0.00 C ATOM 564 CE1 PHE A 35 6.971 -6.104 -20.537 1.00 0.00 C ATOM 565 CE2 PHE A 35 5.778 -4.634 -21.981 1.00 0.00 C ATOM 566 CZ PHE A 35 6.959 -5.224 -21.593 1.00 0.00 C ATOM 0 H PHE A 35 3.412 -8.615 -18.823 1.00 0.00 H new ATOM 0 HA PHE A 35 4.455 -6.070 -17.666 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.731 -6.871 -20.047 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.684 -5.227 -19.442 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.820 -7.092 -19.037 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.683 -4.458 -21.620 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.898 -6.566 -20.232 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.767 -3.943 -22.811 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.875 -4.996 -22.117 1.00 0.00 H new ATOM 576 N TYR A 36 2.159 -5.284 -16.700 1.00 0.00 N ATOM 577 CA TYR A 36 0.959 -5.081 -15.829 1.00 0.00 C ATOM 578 C TYR A 36 -0.120 -4.213 -16.454 1.00 0.00 C ATOM 579 O TYR A 36 0.029 -3.669 -17.528 1.00 0.00 O ATOM 580 CB TYR A 36 1.427 -4.391 -14.547 1.00 0.00 C ATOM 581 CG TYR A 36 2.230 -5.380 -13.722 1.00 0.00 C ATOM 582 CD1 TYR A 36 3.520 -5.692 -14.078 1.00 0.00 C ATOM 583 CD2 TYR A 36 1.675 -5.984 -12.614 1.00 0.00 C ATOM 584 CE1 TYR A 36 4.248 -6.593 -13.341 1.00 0.00 C ATOM 585 CE2 TYR A 36 2.403 -6.888 -11.872 1.00 0.00 C ATOM 586 CZ TYR A 36 3.697 -7.200 -12.230 1.00 0.00 C ATOM 587 OH TYR A 36 4.430 -8.101 -11.489 1.00 0.00 O ATOM 0 H TYR A 36 2.741 -4.459 -16.848 1.00 0.00 H new ATOM 0 HA TYR A 36 0.519 -6.063 -15.657 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.036 -3.520 -14.788 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.570 -4.033 -13.977 1.00 0.00 H new ATOM 0 HD1 TYR A 36 3.965 -5.225 -14.944 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.662 -5.747 -12.325 1.00 0.00 H new ATOM 0 HE1 TYR A 36 5.261 -6.829 -13.633 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.958 -7.354 -11.006 1.00 0.00 H new ATOM 0 HH TYR A 36 5.383 -7.887 -11.564 1.00 0.00 H new ATOM 597 N SER A 37 -1.197 -4.122 -15.726 1.00 0.00 N ATOM 598 CA SER A 37 -2.362 -3.323 -16.157 1.00 0.00 C ATOM 599 C SER A 37 -3.146 -2.943 -14.907 1.00 0.00 C ATOM 600 O SER A 37 -3.174 -3.709 -13.963 1.00 0.00 O ATOM 601 CB SER A 37 -3.242 -4.188 -17.074 1.00 0.00 C ATOM 602 OG SER A 37 -3.335 -3.438 -18.275 1.00 0.00 O ATOM 0 H SER A 37 -1.315 -4.585 -14.825 1.00 0.00 H new ATOM 0 HA SER A 37 -2.050 -2.429 -16.697 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.794 -5.166 -17.249 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.225 -4.361 -16.635 1.00 0.00 H new ATOM 0 HG SER A 37 -3.885 -3.925 -18.923 1.00 0.00 H new ATOM 608 N ILE A 38 -3.774 -1.783 -14.908 1.00 0.00 N ATOM 609 CA ILE A 38 -4.550 -1.374 -13.688 1.00 0.00 C ATOM 610 C ILE A 38 -5.949 -0.870 -14.018 1.00 0.00 C ATOM 611 O ILE A 38 -6.181 -0.269 -15.048 1.00 0.00 O ATOM 612 CB ILE A 38 -3.760 -0.241 -13.003 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.696 0.717 -12.263 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.021 0.552 -14.090 1.00 0.00 C ATOM 615 CD1 ILE A 38 -3.855 1.776 -11.547 1.00 0.00 C ATOM 0 H ILE A 38 -3.783 -1.118 -15.681 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.671 -2.246 -13.046 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.069 -0.680 -12.284 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.382 1.191 -12.965 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.305 0.169 -11.544 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.454 1.361 -13.629 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.340 -0.110 -14.624 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.744 0.970 -14.791 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.512 2.465 -11.016 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.187 1.290 -10.836 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.266 2.329 -12.279 1.00 0.00 H new ATOM 627 N THR A 39 -6.855 -1.130 -13.111 1.00 0.00 N ATOM 628 CA THR A 39 -8.254 -0.695 -13.304 1.00 0.00 C ATOM 629 C THR A 39 -8.987 -0.685 -11.960 1.00 0.00 C ATOM 630 O THR A 39 -8.744 -1.535 -11.110 1.00 0.00 O ATOM 631 CB THR A 39 -8.954 -1.675 -14.256 1.00 0.00 C ATOM 632 OG1 THR A 39 -10.322 -1.325 -14.212 1.00 0.00 O ATOM 633 CG2 THR A 39 -8.907 -3.110 -13.713 1.00 0.00 C ATOM 0 H THR A 39 -6.675 -1.630 -12.240 1.00 0.00 H new ATOM 0 HA THR A 39 -8.267 0.310 -13.725 1.00 0.00 H new ATOM 0 HB THR A 39 -8.483 -1.627 -15.238 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.830 -1.917 -14.805 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.411 -3.779 -14.410 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.869 -3.421 -13.597 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.408 -3.150 -12.746 1.00 0.00 H new ATOM 641 N GLY A 40 -9.858 0.285 -11.778 1.00 0.00 N ATOM 642 CA GLY A 40 -10.619 0.366 -10.490 1.00 0.00 C ATOM 643 C GLY A 40 -10.580 1.786 -9.906 1.00 0.00 C ATOM 644 O GLY A 40 -10.037 2.705 -10.503 1.00 0.00 O ATOM 0 H GLY A 40 -10.071 1.015 -12.458 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.654 0.068 -10.657 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.197 -0.337 -9.771 1.00 0.00 H new ATOM 648 N GLN A 41 -11.159 1.930 -8.742 1.00 0.00 N ATOM 649 CA GLN A 41 -11.179 3.260 -8.091 1.00 0.00 C ATOM 650 C GLN A 41 -9.787 3.869 -8.076 1.00 0.00 C ATOM 651 O GLN A 41 -8.812 3.186 -7.838 1.00 0.00 O ATOM 652 CB GLN A 41 -11.653 3.077 -6.641 1.00 0.00 C ATOM 653 CG GLN A 41 -10.704 2.113 -5.923 1.00 0.00 C ATOM 654 CD GLN A 41 -11.312 1.709 -4.580 1.00 0.00 C ATOM 655 OE1 GLN A 41 -10.626 1.598 -3.584 1.00 0.00 O ATOM 656 NE2 GLN A 41 -12.595 1.480 -4.509 1.00 0.00 N ATOM 0 H GLN A 41 -11.616 1.182 -8.220 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.846 3.922 -8.643 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.672 4.038 -6.127 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.670 2.686 -6.624 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.532 1.229 -6.537 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.735 2.587 -5.768 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -13.176 1.572 -5.342 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.016 1.209 -3.620 1.00 0.00 H new ATOM 665 N GLY A 42 -9.720 5.144 -8.334 1.00 0.00 N ATOM 666 CA GLY A 42 -8.391 5.817 -8.340 1.00 0.00 C ATOM 667 C GLY A 42 -7.863 5.896 -9.769 1.00 0.00 C ATOM 668 O GLY A 42 -6.949 6.650 -10.058 1.00 0.00 O ATOM 0 H GLY A 42 -10.518 5.745 -8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.477 6.818 -7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.690 5.266 -7.713 1.00 0.00 H new ATOM 672 N ALA A 43 -8.448 5.095 -10.629 1.00 0.00 N ATOM 673 CA ALA A 43 -8.019 5.087 -12.048 1.00 0.00 C ATOM 674 C ALA A 43 -9.213 5.357 -12.944 1.00 0.00 C ATOM 675 O ALA A 43 -9.353 6.438 -13.491 1.00 0.00 O ATOM 676 CB ALA A 43 -7.454 3.695 -12.379 1.00 0.00 C ATOM 0 H ALA A 43 -9.204 4.449 -10.401 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.263 5.856 -12.209 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.133 3.671 -13.420 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.602 3.485 -11.732 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.226 2.942 -12.220 1.00 0.00 H new ATOM 682 N ASP A 44 -10.066 4.371 -13.063 1.00 0.00 N ATOM 683 CA ASP A 44 -11.268 4.535 -13.917 1.00 0.00 C ATOM 684 C ASP A 44 -12.486 4.894 -13.074 1.00 0.00 C ATOM 685 O ASP A 44 -13.388 5.562 -13.542 1.00 0.00 O ATOM 686 CB ASP A 44 -11.542 3.200 -14.625 1.00 0.00 C ATOM 687 CG ASP A 44 -12.209 2.235 -13.642 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.545 1.903 -12.675 1.00 0.00 O ATOM 689 OD2 ASP A 44 -13.345 1.883 -13.915 1.00 0.00 O ATOM 0 H ASP A 44 -9.977 3.464 -12.605 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.088 5.335 -14.635 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.186 3.359 -15.490 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.610 2.773 -14.996 1.00 0.00 H new ATOM 694 N LYS A 45 -12.487 4.451 -11.839 1.00 0.00 N ATOM 695 CA LYS A 45 -13.641 4.757 -10.953 1.00 0.00 C ATOM 696 C LYS A 45 -13.315 5.950 -10.040 1.00 0.00 C ATOM 697 O LYS A 45 -12.170 6.163 -9.676 1.00 0.00 O ATOM 698 CB LYS A 45 -13.914 3.524 -10.074 1.00 0.00 C ATOM 699 CG LYS A 45 -15.160 2.798 -10.591 1.00 0.00 C ATOM 700 CD LYS A 45 -15.087 1.329 -10.173 1.00 0.00 C ATOM 701 CE LYS A 45 -16.346 0.606 -10.653 1.00 0.00 C ATOM 702 NZ LYS A 45 -16.787 -0.394 -9.642 1.00 0.00 N ATOM 0 H LYS A 45 -11.744 3.896 -11.415 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.510 5.005 -11.563 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.055 2.853 -10.092 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.060 3.828 -9.037 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.060 3.260 -10.187 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.220 2.878 -11.676 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.200 0.861 -10.599 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.999 1.251 -9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.143 1.328 -10.831 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.148 0.109 -11.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.643 -0.877 -9.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.031 -1.093 -9.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.995 0.088 -8.744 1.00 0.00 H new ATOM 716 N PRO A 46 -14.343 6.701 -9.677 1.00 0.00 N ATOM 717 CA PRO A 46 -14.172 7.865 -8.814 1.00 0.00 C ATOM 718 C PRO A 46 -13.454 7.496 -7.496 1.00 0.00 C ATOM 719 O PRO A 46 -13.818 6.537 -6.845 1.00 0.00 O ATOM 720 CB PRO A 46 -15.612 8.335 -8.499 1.00 0.00 C ATOM 721 CG PRO A 46 -16.586 7.416 -9.295 1.00 0.00 C ATOM 722 CD PRO A 46 -15.726 6.421 -10.086 1.00 0.00 C ATOM 0 HA PRO A 46 -13.564 8.629 -9.299 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.811 8.271 -7.429 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.747 9.378 -8.786 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.258 6.890 -8.618 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.209 8.006 -9.968 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.004 5.392 -9.858 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.854 6.556 -11.160 1.00 0.00 H new ATOM 730 N PRO A 47 -12.432 8.272 -7.120 1.00 0.00 N ATOM 731 CA PRO A 47 -11.931 9.409 -7.909 1.00 0.00 C ATOM 732 C PRO A 47 -11.256 8.934 -9.195 1.00 0.00 C ATOM 733 O PRO A 47 -10.309 8.174 -9.156 1.00 0.00 O ATOM 734 CB PRO A 47 -10.877 10.080 -7.006 1.00 0.00 C ATOM 735 CG PRO A 47 -10.710 9.184 -5.741 1.00 0.00 C ATOM 736 CD PRO A 47 -11.738 8.045 -5.850 1.00 0.00 C ATOM 0 HA PRO A 47 -12.741 10.078 -8.198 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.928 10.181 -7.533 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -11.195 11.084 -6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.698 8.784 -5.684 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.875 9.765 -4.834 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.249 7.071 -5.838 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -12.435 8.062 -5.012 1.00 0.00 H new ATOM 744 N VAL A 48 -11.753 9.391 -10.308 1.00 0.00 N ATOM 745 CA VAL A 48 -11.151 8.973 -11.594 1.00 0.00 C ATOM 746 C VAL A 48 -9.867 9.743 -11.864 1.00 0.00 C ATOM 747 O VAL A 48 -9.880 10.952 -11.990 1.00 0.00 O ATOM 748 CB VAL A 48 -12.153 9.272 -12.718 1.00 0.00 C ATOM 749 CG1 VAL A 48 -12.529 10.754 -12.674 1.00 0.00 C ATOM 750 CG2 VAL A 48 -11.504 8.958 -14.067 1.00 0.00 C ATOM 0 H VAL A 48 -12.544 10.031 -10.380 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.918 7.909 -11.550 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.046 8.661 -12.588 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.241 10.973 -13.470 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.981 10.986 -11.710 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.634 11.361 -12.811 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.212 9.169 -14.869 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.615 9.576 -14.196 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.222 7.906 -14.099 1.00 0.00 H new ATOM 760 N GLY A 49 -8.777 9.030 -11.943 1.00 0.00 N ATOM 761 CA GLY A 49 -7.478 9.712 -12.205 1.00 0.00 C ATOM 762 C GLY A 49 -6.751 10.035 -10.893 1.00 0.00 C ATOM 763 O GLY A 49 -6.817 11.143 -10.398 1.00 0.00 O ATOM 0 H GLY A 49 -8.729 8.016 -11.839 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.848 9.076 -12.827 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.652 10.631 -12.764 1.00 0.00 H new ATOM 767 N VAL A 50 -6.075 9.055 -10.358 1.00 0.00 N ATOM 768 CA VAL A 50 -5.339 9.281 -9.088 1.00 0.00 C ATOM 769 C VAL A 50 -4.068 8.451 -9.062 1.00 0.00 C ATOM 770 O VAL A 50 -3.047 8.895 -8.557 1.00 0.00 O ATOM 771 CB VAL A 50 -6.227 8.853 -7.911 1.00 0.00 C ATOM 772 CG1 VAL A 50 -5.419 8.966 -6.614 1.00 0.00 C ATOM 773 CG2 VAL A 50 -7.441 9.777 -7.833 1.00 0.00 C ATOM 0 H VAL A 50 -6.002 8.114 -10.745 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.083 10.338 -9.011 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.561 7.825 -8.052 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.040 8.664 -5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.545 8.317 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.096 9.998 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.074 9.476 -6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.108 10.804 -7.684 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.009 9.711 -8.761 1.00 0.00 H new ATOM 783 N PHE A 51 -4.160 7.249 -9.604 1.00 0.00 N ATOM 784 CA PHE A 51 -2.971 6.344 -9.635 1.00 0.00 C ATOM 785 C PHE A 51 -2.579 6.005 -11.073 1.00 0.00 C ATOM 786 O PHE A 51 -3.424 5.886 -11.939 1.00 0.00 O ATOM 787 CB PHE A 51 -3.333 5.020 -8.934 1.00 0.00 C ATOM 788 CG PHE A 51 -3.365 5.211 -7.418 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.213 5.062 -6.665 1.00 0.00 C ATOM 790 CD2 PHE A 51 -4.556 5.495 -6.773 1.00 0.00 C ATOM 791 CE1 PHE A 51 -2.254 5.190 -5.293 1.00 0.00 C ATOM 792 CE2 PHE A 51 -4.593 5.622 -5.400 1.00 0.00 C ATOM 793 CZ PHE A 51 -3.443 5.469 -4.662 1.00 0.00 C ATOM 0 H PHE A 51 -5.007 6.864 -10.022 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.144 6.852 -9.138 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.304 4.670 -9.283 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.605 4.252 -9.195 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.276 4.844 -7.156 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.462 5.618 -7.348 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.351 5.071 -4.713 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.527 5.842 -4.904 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.474 5.568 -3.587 1.00 0.00 H new ATOM 803 N ILE A 52 -1.303 5.862 -11.294 1.00 0.00 N ATOM 804 CA ILE A 52 -0.816 5.528 -12.660 1.00 0.00 C ATOM 805 C ILE A 52 0.323 4.539 -12.563 1.00 0.00 C ATOM 806 O ILE A 52 1.199 4.696 -11.744 1.00 0.00 O ATOM 807 CB ILE A 52 -0.326 6.810 -13.336 1.00 0.00 C ATOM 808 CG1 ILE A 52 0.407 7.675 -12.322 1.00 0.00 C ATOM 809 CG2 ILE A 52 -1.548 7.589 -13.856 1.00 0.00 C ATOM 810 CD1 ILE A 52 1.356 8.625 -13.059 1.00 0.00 C ATOM 0 H ILE A 52 -0.575 5.962 -10.586 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.623 5.087 -13.244 1.00 0.00 H new ATOM 0 HB ILE A 52 0.346 6.558 -14.156 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.308 8.245 -11.729 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.968 7.047 -11.629 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.215 8.507 -14.341 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.092 6.976 -14.574 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.203 7.837 -13.021 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.883 9.247 -12.335 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.078 8.045 -13.633 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.783 9.261 -13.734 1.00 0.00 H new ATOM 822 N ILE A 53 0.292 3.533 -13.406 1.00 0.00 N ATOM 823 CA ILE A 53 1.374 2.518 -13.368 1.00 0.00 C ATOM 824 C ILE A 53 1.952 2.224 -14.748 1.00 0.00 C ATOM 825 O ILE A 53 1.278 2.344 -15.751 1.00 0.00 O ATOM 826 CB ILE A 53 0.791 1.225 -12.801 1.00 0.00 C ATOM 827 CG1 ILE A 53 1.910 0.410 -12.187 1.00 0.00 C ATOM 828 CG2 ILE A 53 0.152 0.422 -13.951 1.00 0.00 C ATOM 829 CD1 ILE A 53 1.526 -1.073 -12.169 1.00 0.00 C ATOM 0 H ILE A 53 -0.431 3.378 -14.109 1.00 0.00 H new ATOM 0 HA ILE A 53 2.182 2.910 -12.750 1.00 0.00 H new ATOM 0 HB ILE A 53 0.040 1.451 -12.044 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.828 0.550 -12.757 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.109 0.755 -11.172 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.268 -0.504 -13.559 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.640 1.013 -14.411 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.911 0.188 -14.697 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.336 -1.653 -11.726 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.619 -1.207 -11.580 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.350 -1.416 -13.189 1.00 0.00 H new ATOM 841 N GLU A 54 3.205 1.843 -14.761 1.00 0.00 N ATOM 842 CA GLU A 54 3.866 1.528 -16.052 1.00 0.00 C ATOM 843 C GLU A 54 3.722 0.036 -16.374 1.00 0.00 C ATOM 844 O GLU A 54 4.377 -0.795 -15.777 1.00 0.00 O ATOM 845 CB GLU A 54 5.361 1.867 -15.922 1.00 0.00 C ATOM 846 CG GLU A 54 5.695 3.022 -16.867 1.00 0.00 C ATOM 847 CD GLU A 54 5.855 2.481 -18.288 1.00 0.00 C ATOM 848 OE1 GLU A 54 5.527 1.318 -18.463 1.00 0.00 O ATOM 849 OE2 GLU A 54 6.296 3.259 -19.117 1.00 0.00 O ATOM 0 H GLU A 54 3.792 1.738 -13.934 1.00 0.00 H new ATOM 0 HA GLU A 54 3.402 2.108 -16.850 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.596 2.142 -14.894 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.967 0.994 -16.165 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.904 3.772 -16.838 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.613 3.515 -16.547 1.00 0.00 H new ATOM 856 N ARG A 55 2.865 -0.272 -17.311 1.00 0.00 N ATOM 857 CA ARG A 55 2.660 -1.697 -17.688 1.00 0.00 C ATOM 858 C ARG A 55 3.982 -2.408 -17.957 1.00 0.00 C ATOM 859 O ARG A 55 4.032 -3.622 -18.009 1.00 0.00 O ATOM 860 CB ARG A 55 1.819 -1.734 -18.974 1.00 0.00 C ATOM 861 CG ARG A 55 2.684 -1.270 -20.149 1.00 0.00 C ATOM 862 CD ARG A 55 1.791 -1.003 -21.362 1.00 0.00 C ATOM 863 NE ARG A 55 2.226 0.267 -22.011 1.00 0.00 N ATOM 864 CZ ARG A 55 2.084 0.411 -23.299 1.00 0.00 C ATOM 865 NH1 ARG A 55 0.897 0.668 -23.778 1.00 0.00 N ATOM 866 NH2 ARG A 55 3.132 0.293 -24.067 1.00 0.00 N ATOM 0 H ARG A 55 2.300 0.401 -17.829 1.00 0.00 H new ATOM 0 HA ARG A 55 2.163 -2.205 -16.862 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.450 -2.744 -19.154 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.946 -1.089 -18.872 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.229 -0.366 -19.879 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.427 -2.030 -20.391 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.858 -1.830 -22.069 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.748 -0.931 -21.054 1.00 0.00 H new ATOM 0 HE ARG A 55 2.632 1.017 -21.452 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.100 0.753 -23.147 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.767 0.784 -24.783 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.044 0.091 -23.658 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.039 0.403 -25.077 1.00 0.00 H new ATOM 880 N GLU A 56 5.031 -1.647 -18.121 1.00 0.00 N ATOM 881 CA GLU A 56 6.350 -2.277 -18.387 1.00 0.00 C ATOM 882 C GLU A 56 7.134 -2.489 -17.098 1.00 0.00 C ATOM 883 O GLU A 56 7.325 -3.607 -16.663 1.00 0.00 O ATOM 884 CB GLU A 56 7.151 -1.341 -19.306 1.00 0.00 C ATOM 885 CG GLU A 56 6.372 -1.133 -20.607 1.00 0.00 C ATOM 886 CD GLU A 56 7.180 -0.231 -21.541 1.00 0.00 C ATOM 887 OE1 GLU A 56 7.972 -0.789 -22.281 1.00 0.00 O ATOM 888 OE2 GLU A 56 6.960 0.966 -21.460 1.00 0.00 O ATOM 0 H GLU A 56 5.030 -0.628 -18.082 1.00 0.00 H new ATOM 0 HA GLU A 56 6.189 -3.250 -18.852 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.322 -0.384 -18.812 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.131 -1.769 -19.518 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.179 -2.093 -21.086 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.403 -0.682 -20.396 1.00 0.00 H new ATOM 895 N THR A 57 7.574 -1.413 -16.511 1.00 0.00 N ATOM 896 CA THR A 57 8.347 -1.535 -15.250 1.00 0.00 C ATOM 897 C THR A 57 7.418 -1.635 -14.046 1.00 0.00 C ATOM 898 O THR A 57 7.853 -1.552 -12.915 1.00 0.00 O ATOM 899 CB THR A 57 9.215 -0.285 -15.099 1.00 0.00 C ATOM 900 OG1 THR A 57 8.307 0.775 -14.906 1.00 0.00 O ATOM 901 CG2 THR A 57 9.923 0.052 -16.419 1.00 0.00 C ATOM 0 H THR A 57 7.432 -0.461 -16.848 1.00 0.00 H new ATOM 0 HA THR A 57 8.956 -2.438 -15.292 1.00 0.00 H new ATOM 0 HB THR A 57 9.943 -0.435 -14.302 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.747 1.625 -15.115 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.534 0.945 -16.286 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.559 -0.783 -16.714 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.179 0.234 -17.195 1.00 0.00 H new ATOM 909 N GLY A 58 6.154 -1.813 -14.309 1.00 0.00 N ATOM 910 CA GLY A 58 5.181 -1.920 -13.187 1.00 0.00 C ATOM 911 C GLY A 58 5.404 -0.796 -12.172 1.00 0.00 C ATOM 912 O GLY A 58 4.936 -0.867 -11.052 1.00 0.00 O ATOM 0 H GLY A 58 5.755 -1.889 -15.245 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.164 -1.871 -13.575 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.288 -2.887 -12.696 1.00 0.00 H new ATOM 916 N TRP A 59 6.120 0.217 -12.583 1.00 0.00 N ATOM 917 CA TRP A 59 6.377 1.346 -11.655 1.00 0.00 C ATOM 918 C TRP A 59 5.071 2.011 -11.264 1.00 0.00 C ATOM 919 O TRP A 59 4.368 2.520 -12.111 1.00 0.00 O ATOM 920 CB TRP A 59 7.256 2.382 -12.376 1.00 0.00 C ATOM 921 CG TRP A 59 8.648 2.379 -11.756 1.00 0.00 C ATOM 922 CD1 TRP A 59 9.762 2.093 -12.412 1.00 0.00 C ATOM 923 CD2 TRP A 59 8.896 2.667 -10.508 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.722 2.222 -11.477 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.248 2.590 -10.230 1.00 0.00 C ATOM 926 CE3 TRP A 59 8.004 3.015 -9.515 1.00 0.00 C ATOM 927 CZ2 TRP A 59 10.703 2.860 -8.956 1.00 0.00 C ATOM 928 CZ3 TRP A 59 8.459 3.285 -8.243 1.00 0.00 C ATOM 929 CH2 TRP A 59 9.809 3.208 -7.962 1.00 0.00 C ATOM 0 H TRP A 59 6.532 0.308 -13.512 1.00 0.00 H new ATOM 0 HA TRP A 59 6.872 0.970 -10.760 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.318 2.147 -13.439 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.811 3.374 -12.294 1.00 0.00 H new ATOM 0 HD1 TRP A 59 9.874 1.821 -13.451 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.711 2.063 -11.670 1.00 0.00 H new ATOM 0 HE3 TRP A 59 6.948 3.076 -9.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 11.759 2.799 -8.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 7.760 3.557 -7.466 1.00 0.00 H new ATOM 0 HH2 TRP A 59 10.166 3.420 -6.965 1.00 0.00 H new ATOM 940 N LEU A 60 4.766 2.000 -9.987 1.00 0.00 N ATOM 941 CA LEU A 60 3.499 2.636 -9.539 1.00 0.00 C ATOM 942 C LEU A 60 3.733 4.066 -9.074 1.00 0.00 C ATOM 943 O LEU A 60 4.516 4.315 -8.170 1.00 0.00 O ATOM 944 CB LEU A 60 2.919 1.825 -8.369 1.00 0.00 C ATOM 945 CG LEU A 60 1.383 1.838 -8.462 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.794 1.270 -7.173 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.893 3.280 -8.639 1.00 0.00 C ATOM 0 H LEU A 60 5.334 1.583 -9.250 1.00 0.00 H new ATOM 0 HA LEU A 60 2.807 2.653 -10.381 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.289 0.800 -8.401 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.242 2.251 -7.419 1.00 0.00 H new ATOM 0 HG LEU A 60 1.067 1.234 -9.313 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.294 1.278 -7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.142 0.246 -7.034 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.113 1.880 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.195 3.289 -8.705 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.210 3.879 -7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.315 3.698 -9.553 1.00 0.00 H new ATOM 959 N LYS A 61 3.034 4.974 -9.707 1.00 0.00 N ATOM 960 CA LYS A 61 3.162 6.408 -9.355 1.00 0.00 C ATOM 961 C LYS A 61 1.797 6.990 -9.028 1.00 0.00 C ATOM 962 O LYS A 61 0.783 6.423 -9.390 1.00 0.00 O ATOM 963 CB LYS A 61 3.742 7.156 -10.570 1.00 0.00 C ATOM 964 CG LYS A 61 4.332 6.137 -11.552 1.00 0.00 C ATOM 965 CD LYS A 61 4.879 6.875 -12.778 1.00 0.00 C ATOM 966 CE LYS A 61 5.462 5.855 -13.758 1.00 0.00 C ATOM 967 NZ LYS A 61 4.511 5.603 -14.877 1.00 0.00 N ATOM 0 H LYS A 61 2.375 4.774 -10.459 1.00 0.00 H new ATOM 0 HA LYS A 61 3.813 6.514 -8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.963 7.741 -11.058 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.512 7.857 -10.248 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.128 5.569 -11.070 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.568 5.421 -11.855 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.085 7.446 -13.258 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.647 7.588 -12.476 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.409 6.222 -14.154 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.675 4.922 -13.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.290 4.588 -14.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.636 6.141 -14.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.943 5.904 -15.774 1.00 0.00 H new ATOM 981 N VAL A 62 1.793 8.108 -8.339 1.00 0.00 N ATOM 982 CA VAL A 62 0.492 8.746 -7.974 1.00 0.00 C ATOM 983 C VAL A 62 0.394 10.165 -8.500 1.00 0.00 C ATOM 984 O VAL A 62 1.386 10.857 -8.636 1.00 0.00 O ATOM 985 CB VAL A 62 0.382 8.802 -6.444 1.00 0.00 C ATOM 986 CG1 VAL A 62 0.064 7.408 -5.912 1.00 0.00 C ATOM 987 CG2 VAL A 62 1.710 9.284 -5.860 1.00 0.00 C ATOM 0 H VAL A 62 2.627 8.600 -8.018 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.308 8.152 -8.416 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.412 9.491 -6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.015 7.443 -4.825 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.880 7.064 -6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.860 6.720 -6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.636 9.325 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.504 8.593 -6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.938 10.278 -6.246 1.00 0.00 H new ATOM 997 N THR A 63 -0.816 10.564 -8.783 1.00 0.00 N ATOM 998 CA THR A 63 -1.051 11.926 -9.301 1.00 0.00 C ATOM 999 C THR A 63 -1.667 12.781 -8.206 1.00 0.00 C ATOM 1000 O THR A 63 -1.520 13.988 -8.199 1.00 0.00 O ATOM 1001 CB THR A 63 -2.030 11.832 -10.474 1.00 0.00 C ATOM 1002 OG1 THR A 63 -3.168 11.173 -9.959 1.00 0.00 O ATOM 1003 CG2 THR A 63 -1.490 10.887 -11.557 1.00 0.00 C ATOM 0 H THR A 63 -1.654 9.993 -8.674 1.00 0.00 H new ATOM 0 HA THR A 63 -0.111 12.373 -9.625 1.00 0.00 H new ATOM 0 HB THR A 63 -2.210 12.824 -10.888 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.841 11.081 -10.666 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.201 10.834 -12.382 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.535 11.263 -11.925 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.350 9.892 -11.135 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.356 12.124 -7.292 1.00 0.00 N ATOM 1012 CA GLN A 64 -3.002 12.871 -6.170 1.00 0.00 C ATOM 1013 C GLN A 64 -2.730 12.168 -4.821 1.00 0.00 C ATOM 1014 O GLN A 64 -2.800 10.959 -4.731 1.00 0.00 O ATOM 1015 CB GLN A 64 -4.520 12.887 -6.413 1.00 0.00 C ATOM 1016 CG GLN A 64 -4.854 13.979 -7.429 1.00 0.00 C ATOM 1017 CD GLN A 64 -6.365 14.014 -7.652 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -7.057 14.885 -7.163 1.00 0.00 O ATOM 1019 NE2 GLN A 64 -6.919 13.085 -8.383 1.00 0.00 N ATOM 0 H GLN A 64 -2.494 11.113 -7.280 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.596 13.882 -6.132 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.852 11.916 -6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.048 13.070 -5.477 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.505 14.947 -7.068 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.340 13.786 -8.371 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.344 12.351 -8.797 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.927 13.093 -8.541 1.00 0.00 H new ATOM 1028 N PRO A 65 -2.422 12.949 -3.783 1.00 0.00 N ATOM 1029 CA PRO A 65 -2.146 12.384 -2.458 1.00 0.00 C ATOM 1030 C PRO A 65 -3.355 11.621 -1.925 1.00 0.00 C ATOM 1031 O PRO A 65 -4.454 11.780 -2.418 1.00 0.00 O ATOM 1032 CB PRO A 65 -1.874 13.605 -1.553 1.00 0.00 C ATOM 1033 CG PRO A 65 -2.046 14.884 -2.432 1.00 0.00 C ATOM 1034 CD PRO A 65 -2.338 14.416 -3.866 1.00 0.00 C ATOM 0 HA PRO A 65 -1.312 11.683 -2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.567 13.621 -0.712 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.868 13.558 -1.137 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.861 15.502 -2.056 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.143 15.495 -2.403 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.269 14.843 -4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.549 14.727 -4.550 1.00 0.00 H new ATOM 1042 N LEU A 66 -3.135 10.798 -0.929 1.00 0.00 N ATOM 1043 CA LEU A 66 -4.277 10.027 -0.367 1.00 0.00 C ATOM 1044 C LEU A 66 -4.945 10.794 0.769 1.00 0.00 C ATOM 1045 O LEU A 66 -4.437 11.800 1.225 1.00 0.00 O ATOM 1046 CB LEU A 66 -3.749 8.687 0.178 1.00 0.00 C ATOM 1047 CG LEU A 66 -3.016 7.911 -0.935 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -3.165 6.411 -0.666 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -3.629 8.236 -2.307 1.00 0.00 C ATOM 0 H LEU A 66 -2.230 10.631 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.012 9.862 -1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.071 8.867 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.577 8.091 0.562 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.964 8.198 -0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.651 5.849 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.728 6.170 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.222 6.145 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.101 7.681 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.682 7.953 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.540 9.305 -2.502 1.00 0.00 H new ATOM 1061 N ASP A 67 -6.081 10.299 1.200 1.00 0.00 N ATOM 1062 CA ASP A 67 -6.814 10.974 2.307 1.00 0.00 C ATOM 1063 C ASP A 67 -7.324 9.952 3.317 1.00 0.00 C ATOM 1064 O ASP A 67 -8.365 9.355 3.129 1.00 0.00 O ATOM 1065 CB ASP A 67 -8.018 11.713 1.699 1.00 0.00 C ATOM 1066 CG ASP A 67 -8.872 12.314 2.818 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -9.166 11.565 3.736 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -9.185 13.486 2.691 1.00 0.00 O ATOM 0 H ASP A 67 -6.528 9.459 0.832 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.143 11.664 2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.673 12.500 1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.616 11.025 1.102 1.00 0.00 H new ATOM 1073 N ARG A 68 -6.588 9.782 4.377 1.00 0.00 N ATOM 1074 CA ARG A 68 -7.014 8.805 5.407 1.00 0.00 C ATOM 1075 C ARG A 68 -8.357 9.195 6.018 1.00 0.00 C ATOM 1076 O ARG A 68 -9.021 8.378 6.625 1.00 0.00 O ATOM 1077 CB ARG A 68 -5.956 8.785 6.519 1.00 0.00 C ATOM 1078 CG ARG A 68 -5.695 7.335 6.936 1.00 0.00 C ATOM 1079 CD ARG A 68 -4.514 7.302 7.909 1.00 0.00 C ATOM 1080 NE ARG A 68 -4.798 6.309 8.983 1.00 0.00 N ATOM 1081 CZ ARG A 68 -5.849 6.467 9.737 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -6.321 7.670 9.914 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -6.396 5.417 10.289 1.00 0.00 N ATOM 0 H ARG A 68 -5.716 10.274 4.572 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.119 7.826 4.940 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.033 9.247 6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.299 9.367 7.375 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.583 6.913 7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.478 6.724 6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.599 7.034 7.381 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.355 8.290 8.342 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.176 5.513 9.127 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.868 8.467 9.466 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.143 7.814 10.501 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.000 4.491 10.127 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.219 5.523 10.882 1.00 0.00 H new ATOM 1097 N GLU A 69 -8.738 10.434 5.851 1.00 0.00 N ATOM 1098 CA GLU A 69 -10.036 10.872 6.423 1.00 0.00 C ATOM 1099 C GLU A 69 -11.198 10.353 5.583 1.00 0.00 C ATOM 1100 O GLU A 69 -12.328 10.338 6.032 1.00 0.00 O ATOM 1101 CB GLU A 69 -10.076 12.409 6.441 1.00 0.00 C ATOM 1102 CG GLU A 69 -9.272 12.919 7.638 1.00 0.00 C ATOM 1103 CD GLU A 69 -10.090 12.728 8.914 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -11.157 12.149 8.793 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -9.602 13.171 9.941 1.00 0.00 O ATOM 0 H GLU A 69 -8.212 11.150 5.350 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.130 10.474 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.662 12.806 5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.107 12.757 6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.328 12.379 7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.027 13.973 7.504 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.890 9.935 4.375 1.00 0.00 N ATOM 1113 CA ALA A 70 -11.957 9.410 3.475 1.00 0.00 C ATOM 1114 C ALA A 70 -11.747 7.926 3.214 1.00 0.00 C ATOM 1115 O ALA A 70 -12.667 7.138 3.309 1.00 0.00 O ATOM 1116 CB ALA A 70 -11.878 10.162 2.138 1.00 0.00 C ATOM 0 H ALA A 70 -9.950 9.937 3.980 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.929 9.554 3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.652 9.791 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.028 11.228 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.899 10.001 1.688 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.532 7.575 2.886 1.00 0.00 N ATOM 1123 CA ILE A 71 -10.224 6.151 2.612 1.00 0.00 C ATOM 1124 C ILE A 71 -8.859 5.787 3.184 1.00 0.00 C ATOM 1125 O ILE A 71 -7.848 6.323 2.775 1.00 0.00 O ATOM 1126 CB ILE A 71 -10.204 5.941 1.094 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.627 6.009 0.551 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -9.635 4.542 0.795 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -11.581 6.233 -0.962 1.00 0.00 C ATOM 0 H ILE A 71 -9.744 8.216 2.797 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.981 5.519 3.077 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.592 6.713 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.159 5.085 0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -12.174 6.819 1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.615 4.380 -0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.622 4.469 1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.264 3.785 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.597 6.282 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.064 7.169 -1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.049 5.408 -1.436 1.00 0.00 H new ATOM 1141 N ALA A 72 -8.855 4.881 4.123 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.567 4.473 4.732 1.00 0.00 C ATOM 1143 C ALA A 72 -6.949 3.315 3.962 1.00 0.00 C ATOM 1144 O ALA A 72 -5.908 2.807 4.328 1.00 0.00 O ATOM 1145 CB ALA A 72 -7.839 4.020 6.176 1.00 0.00 C ATOM 0 H ALA A 72 -9.683 4.411 4.490 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.876 5.316 4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.903 3.715 6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.275 4.845 6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.532 3.179 6.169 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.603 2.916 2.907 1.00 0.00 N ATOM 1152 CA LYS A 73 -7.067 1.794 2.101 1.00 0.00 C ATOM 1153 C LYS A 73 -7.665 1.791 0.704 1.00 0.00 C ATOM 1154 O LYS A 73 -8.867 1.721 0.540 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.424 0.474 2.802 1.00 0.00 C ATOM 1156 CG LYS A 73 -7.357 -0.667 1.785 1.00 0.00 C ATOM 1157 CD LYS A 73 -7.191 -1.997 2.525 1.00 0.00 C ATOM 1158 CE LYS A 73 -8.203 -2.069 3.674 1.00 0.00 C ATOM 1159 NZ LYS A 73 -9.586 -1.825 3.173 1.00 0.00 N ATOM 0 H LYS A 73 -8.479 3.317 2.573 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.987 1.908 2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.733 0.286 3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.423 0.535 3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.264 -0.685 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.522 -0.512 1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.344 -2.830 1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.176 -2.086 2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.151 -3.048 4.151 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.951 -1.330 4.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.242 -2.493 3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.871 -0.851 3.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.611 -1.961 2.142 1.00 0.00 H new ATOM 1173 N TYR A 74 -6.809 1.866 -0.281 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.295 1.869 -1.682 1.00 0.00 C ATOM 1175 C TYR A 74 -7.169 0.484 -2.309 1.00 0.00 C ATOM 1176 O TYR A 74 -6.146 -0.173 -2.178 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.423 2.840 -2.499 1.00 0.00 C ATOM 1178 CG TYR A 74 -6.747 4.287 -2.115 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.411 4.777 -0.869 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.360 5.131 -3.022 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -6.681 6.090 -0.536 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.631 6.443 -2.687 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.293 6.933 -1.441 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.559 8.248 -1.106 1.00 0.00 O ATOM 0 H TYR A 74 -5.797 1.925 -0.171 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.343 2.169 -1.685 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.368 2.635 -2.317 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.598 2.690 -3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.933 4.129 -0.149 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.629 4.761 -4.000 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.411 6.460 0.442 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.111 7.091 -3.405 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.992 8.697 -1.862 1.00 0.00 H new ATOM 1194 N ILE A 75 -8.216 0.069 -2.974 1.00 0.00 N ATOM 1195 CA ILE A 75 -8.200 -1.264 -3.628 1.00 0.00 C ATOM 1196 C ILE A 75 -8.000 -1.084 -5.122 1.00 0.00 C ATOM 1197 O ILE A 75 -8.632 -0.237 -5.725 1.00 0.00 O ATOM 1198 CB ILE A 75 -9.551 -1.940 -3.390 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -9.632 -2.452 -1.953 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -9.682 -3.133 -4.357 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -8.930 -3.812 -1.847 1.00 0.00 C ATOM 0 H ILE A 75 -9.080 0.599 -3.090 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.393 -1.871 -3.217 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.353 -1.222 -3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.165 -1.737 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.674 -2.546 -1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.641 -3.626 -4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.622 -2.776 -5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.875 -3.842 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.990 -4.173 -0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.417 -4.525 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.884 -3.705 -2.133 1.00 0.00 H new ATOM 1213 N LEU A 76 -7.127 -1.873 -5.699 1.00 0.00 N ATOM 1214 CA LEU A 76 -6.887 -1.739 -7.167 1.00 0.00 C ATOM 1215 C LEU A 76 -6.864 -3.090 -7.864 1.00 0.00 C ATOM 1216 O LEU A 76 -6.242 -4.011 -7.398 1.00 0.00 O ATOM 1217 CB LEU A 76 -5.508 -1.073 -7.349 1.00 0.00 C ATOM 1218 CG LEU A 76 -5.650 0.180 -8.213 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -6.403 1.257 -7.425 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -4.251 0.692 -8.567 1.00 0.00 C ATOM 0 H LEU A 76 -6.579 -2.592 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.693 -1.150 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.089 -0.811 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.815 -1.772 -7.817 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.203 -0.053 -9.123 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.506 2.152 -8.039 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.392 0.886 -7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.848 1.500 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.336 1.587 -9.184 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.709 0.932 -7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.710 -0.078 -9.117 1.00 0.00 H new ATOM 1232 N TYR A 77 -7.555 -3.180 -8.977 1.00 0.00 N ATOM 1233 CA TYR A 77 -7.581 -4.465 -9.723 1.00 0.00 C ATOM 1234 C TYR A 77 -6.595 -4.370 -10.868 1.00 0.00 C ATOM 1235 O TYR A 77 -6.541 -3.357 -11.539 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.998 -4.690 -10.279 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.892 -5.250 -9.169 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -10.446 -4.410 -8.225 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -10.160 -6.602 -9.100 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -11.257 -4.914 -7.227 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -10.970 -7.106 -8.102 1.00 0.00 C ATOM 1242 CZ TYR A 77 -11.524 -6.266 -7.158 1.00 0.00 C ATOM 1243 OH TYR A 77 -12.336 -6.770 -6.161 1.00 0.00 O ATOM 0 H TYR A 77 -8.096 -2.422 -9.393 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.313 -5.295 -9.069 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.408 -3.752 -10.654 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.966 -5.382 -11.120 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.244 -3.350 -8.267 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.733 -7.271 -9.832 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.685 -4.245 -6.495 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.172 -8.166 -8.060 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.792 -7.270 -5.518 1.00 0.00 H new ATOM 1253 N SER A 78 -5.825 -5.415 -11.081 1.00 0.00 N ATOM 1254 CA SER A 78 -4.835 -5.363 -12.195 1.00 0.00 C ATOM 1255 C SER A 78 -4.839 -6.610 -13.061 1.00 0.00 C ATOM 1256 O SER A 78 -5.311 -7.664 -12.668 1.00 0.00 O ATOM 1257 CB SER A 78 -3.439 -5.219 -11.575 1.00 0.00 C ATOM 1258 OG SER A 78 -3.407 -6.212 -10.561 1.00 0.00 O ATOM 0 H SER A 78 -5.841 -6.281 -10.542 1.00 0.00 H new ATOM 0 HA SER A 78 -5.103 -4.523 -12.835 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.655 -5.380 -12.315 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.287 -4.222 -11.162 1.00 0.00 H new ATOM 0 HG SER A 78 -2.493 -6.300 -10.218 1.00 0.00 H new ATOM 1264 N HIS A 79 -4.298 -6.439 -14.244 1.00 0.00 N ATOM 1265 CA HIS A 79 -4.218 -7.555 -15.217 1.00 0.00 C ATOM 1266 C HIS A 79 -2.769 -7.712 -15.668 1.00 0.00 C ATOM 1267 O HIS A 79 -2.030 -6.747 -15.684 1.00 0.00 O ATOM 1268 CB HIS A 79 -5.085 -7.199 -16.433 1.00 0.00 C ATOM 1269 CG HIS A 79 -6.398 -6.587 -15.944 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -7.528 -7.075 -16.144 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.616 -5.433 -15.212 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -8.439 -6.365 -15.623 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.953 -5.288 -15.002 1.00 0.00 N ATOM 0 H HIS A 79 -3.905 -5.557 -14.574 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.566 -8.483 -14.763 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.559 -6.496 -17.078 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.283 -8.090 -17.028 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.698 -7.937 -16.662 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.849 -4.757 -14.864 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -9.491 -6.604 -15.675 1.00 0.00 H new ATOM 1281 N ALA A 80 -2.383 -8.920 -16.024 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.967 -9.137 -16.475 1.00 0.00 C ATOM 1283 C ALA A 80 -0.882 -9.775 -17.864 1.00 0.00 C ATOM 1284 O ALA A 80 -1.686 -10.607 -18.221 1.00 0.00 O ATOM 1285 CB ALA A 80 -0.293 -10.080 -15.468 1.00 0.00 C ATOM 0 H ALA A 80 -2.976 -9.750 -16.022 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.476 -8.166 -16.528 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.739 -10.257 -15.770 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.309 -9.626 -14.477 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.831 -11.028 -15.441 1.00 0.00 H new ATOM 1291 N VAL A 81 0.113 -9.368 -18.622 1.00 0.00 N ATOM 1292 CA VAL A 81 0.276 -9.941 -19.998 1.00 0.00 C ATOM 1293 C VAL A 81 1.747 -10.185 -20.308 1.00 0.00 C ATOM 1294 O VAL A 81 2.567 -9.314 -20.134 1.00 0.00 O ATOM 1295 CB VAL A 81 -0.272 -8.936 -21.020 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -1.707 -9.319 -21.413 1.00 0.00 C ATOM 1297 CG2 VAL A 81 -0.275 -7.540 -20.399 1.00 0.00 C ATOM 0 H VAL A 81 0.810 -8.674 -18.351 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.263 -10.887 -20.050 1.00 0.00 H new ATOM 0 HB VAL A 81 0.358 -8.946 -21.909 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.089 -8.601 -22.139 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.710 -10.316 -21.853 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.341 -9.312 -20.527 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.663 -6.822 -21.121 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.906 -7.539 -19.510 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.742 -7.263 -20.122 1.00 0.00 H new ATOM 1307 N SER A 82 2.054 -11.358 -20.786 1.00 0.00 N ATOM 1308 CA SER A 82 3.476 -11.661 -21.108 1.00 0.00 C ATOM 1309 C SER A 82 4.001 -10.746 -22.204 1.00 0.00 C ATOM 1310 O SER A 82 3.402 -10.616 -23.252 1.00 0.00 O ATOM 1311 CB SER A 82 3.589 -13.117 -21.582 1.00 0.00 C ATOM 1312 OG SER A 82 3.168 -13.073 -22.937 1.00 0.00 O ATOM 0 H SER A 82 1.391 -12.112 -20.966 1.00 0.00 H new ATOM 0 HA SER A 82 4.070 -11.502 -20.208 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.610 -13.487 -21.494 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.958 -13.779 -20.990 1.00 0.00 H new ATOM 0 HG SER A 82 2.446 -12.418 -23.034 1.00 0.00 H new ATOM 1318 N SER A 83 5.123 -10.132 -21.942 1.00 0.00 N ATOM 1319 CA SER A 83 5.713 -9.217 -22.953 1.00 0.00 C ATOM 1320 C SER A 83 6.024 -9.956 -24.255 1.00 0.00 C ATOM 1321 O SER A 83 6.609 -9.395 -25.162 1.00 0.00 O ATOM 1322 CB SER A 83 7.022 -8.648 -22.380 1.00 0.00 C ATOM 1323 OG SER A 83 6.874 -8.784 -20.973 1.00 0.00 O ATOM 0 H SER A 83 5.652 -10.225 -21.075 1.00 0.00 H new ATOM 0 HA SER A 83 4.998 -8.424 -23.172 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.889 -9.199 -22.744 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.163 -7.606 -22.667 1.00 0.00 H new ATOM 0 HG SER A 83 6.535 -7.945 -20.597 1.00 0.00 H new ATOM 1329 N ASN A 84 5.620 -11.201 -24.327 1.00 0.00 N ATOM 1330 CA ASN A 84 5.886 -11.989 -25.566 1.00 0.00 C ATOM 1331 C ASN A 84 4.664 -11.992 -26.479 1.00 0.00 C ATOM 1332 O ASN A 84 4.735 -12.439 -27.609 1.00 0.00 O ATOM 1333 CB ASN A 84 6.206 -13.439 -25.160 1.00 0.00 C ATOM 1334 CG ASN A 84 4.960 -14.086 -24.550 1.00 0.00 C ATOM 1335 OD1 ASN A 84 3.896 -14.080 -25.132 1.00 0.00 O ATOM 1336 ND2 ASN A 84 5.051 -14.658 -23.381 1.00 0.00 N ATOM 0 H ASN A 84 5.123 -11.699 -23.589 1.00 0.00 H new ATOM 0 HA ASN A 84 6.721 -11.539 -26.102 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.535 -14.007 -26.030 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.025 -13.454 -24.441 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.231 -15.096 -22.962 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.943 -14.667 -22.886 1.00 0.00 H new ATOM 1343 N GLY A 85 3.564 -11.495 -25.965 1.00 0.00 N ATOM 1344 CA GLY A 85 2.309 -11.452 -26.780 1.00 0.00 C ATOM 1345 C GLY A 85 1.269 -12.427 -26.217 1.00 0.00 C ATOM 1346 O GLY A 85 0.192 -12.568 -26.764 1.00 0.00 O ATOM 0 H GLY A 85 3.481 -11.119 -25.020 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.904 -10.440 -26.781 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.532 -11.707 -27.816 1.00 0.00 H new ATOM 1350 N GLU A 86 1.616 -13.082 -25.130 1.00 0.00 N ATOM 1351 CA GLU A 86 0.664 -14.052 -24.513 1.00 0.00 C ATOM 1352 C GLU A 86 0.030 -13.464 -23.265 1.00 0.00 C ATOM 1353 O GLU A 86 0.715 -13.051 -22.351 1.00 0.00 O ATOM 1354 CB GLU A 86 1.436 -15.324 -24.118 1.00 0.00 C ATOM 1355 CG GLU A 86 1.747 -16.138 -25.375 1.00 0.00 C ATOM 1356 CD GLU A 86 0.437 -16.596 -26.016 1.00 0.00 C ATOM 1357 OE1 GLU A 86 -0.362 -17.147 -25.277 1.00 0.00 O ATOM 1358 OE2 GLU A 86 0.309 -16.368 -27.208 1.00 0.00 O ATOM 0 H GLU A 86 2.511 -12.985 -24.650 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.120 -14.281 -25.235 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.360 -15.058 -23.605 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.846 -15.920 -23.422 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.319 -15.535 -26.080 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.362 -17.001 -25.121 1.00 0.00 H new ATOM 1365 N ALA A 87 -1.270 -13.436 -23.250 1.00 0.00 N ATOM 1366 CA ALA A 87 -1.974 -12.878 -22.073 1.00 0.00 C ATOM 1367 C ALA A 87 -1.851 -13.792 -20.854 1.00 0.00 C ATOM 1368 O ALA A 87 -2.151 -14.968 -20.923 1.00 0.00 O ATOM 1369 CB ALA A 87 -3.461 -12.732 -22.430 1.00 0.00 C ATOM 0 H ALA A 87 -1.872 -13.775 -24.000 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.524 -11.917 -21.822 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.001 -12.322 -21.577 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.566 -12.061 -23.283 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.872 -13.709 -22.684 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.408 -13.220 -19.760 1.00 0.00 N ATOM 1376 CA VAL A 88 -1.251 -14.010 -18.507 1.00 0.00 C ATOM 1377 C VAL A 88 -1.899 -13.254 -17.364 1.00 0.00 C ATOM 1378 O VAL A 88 -1.451 -13.310 -16.236 1.00 0.00 O ATOM 1379 CB VAL A 88 0.257 -14.176 -18.200 1.00 0.00 C ATOM 1380 CG1 VAL A 88 0.930 -14.924 -19.353 1.00 0.00 C ATOM 1381 CG2 VAL A 88 0.911 -12.795 -18.051 1.00 0.00 C ATOM 0 H VAL A 88 -1.149 -12.236 -19.685 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.719 -14.987 -18.625 1.00 0.00 H new ATOM 0 HB VAL A 88 0.375 -14.738 -17.273 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.992 -15.042 -19.139 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.471 -15.906 -19.466 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.807 -14.357 -20.276 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.972 -12.916 -17.835 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.791 -12.234 -18.978 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.434 -12.253 -17.234 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.951 -12.556 -17.687 1.00 0.00 N ATOM 1392 CA GLU A 89 -3.662 -11.774 -16.653 1.00 0.00 C ATOM 1393 C GLU A 89 -4.588 -12.619 -15.806 1.00 0.00 C ATOM 1394 O GLU A 89 -5.187 -13.571 -16.266 1.00 0.00 O ATOM 1395 CB GLU A 89 -4.513 -10.699 -17.352 1.00 0.00 C ATOM 1396 CG GLU A 89 -5.341 -11.350 -18.467 1.00 0.00 C ATOM 1397 CD GLU A 89 -6.773 -11.567 -17.971 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -7.401 -10.566 -17.674 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -7.157 -12.725 -17.919 1.00 0.00 O ATOM 0 H GLU A 89 -3.346 -12.497 -18.626 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.906 -11.344 -15.997 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.171 -10.215 -16.631 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.870 -9.923 -17.767 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.343 -10.715 -19.353 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.896 -12.302 -18.758 1.00 0.00 H new ATOM 1406 N ASP A 90 -4.683 -12.231 -14.575 1.00 0.00 N ATOM 1407 CA ASP A 90 -5.547 -12.946 -13.625 1.00 0.00 C ATOM 1408 C ASP A 90 -6.139 -11.926 -12.660 1.00 0.00 C ATOM 1409 O ASP A 90 -5.517 -10.925 -12.364 1.00 0.00 O ATOM 1410 CB ASP A 90 -4.689 -13.950 -12.838 1.00 0.00 C ATOM 1411 CG ASP A 90 -4.173 -15.031 -13.789 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -4.886 -16.012 -13.932 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -3.096 -14.816 -14.320 1.00 0.00 O ATOM 0 H ASP A 90 -4.186 -11.431 -14.183 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.343 -13.474 -14.149 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.852 -13.437 -12.364 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.278 -14.403 -12.041 1.00 0.00 H new ATOM 1418 N PRO A 91 -7.324 -12.186 -12.177 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.962 -11.268 -11.253 1.00 0.00 C ATOM 1420 C PRO A 91 -7.043 -10.972 -10.064 1.00 0.00 C ATOM 1421 O PRO A 91 -7.109 -11.628 -9.040 1.00 0.00 O ATOM 1422 CB PRO A 91 -9.251 -12.001 -10.795 1.00 0.00 C ATOM 1423 CG PRO A 91 -9.284 -13.375 -11.533 1.00 0.00 C ATOM 1424 CD PRO A 91 -8.073 -13.410 -12.481 1.00 0.00 C ATOM 0 HA PRO A 91 -8.183 -10.304 -11.712 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.249 -12.144 -9.714 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.136 -11.412 -11.037 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.237 -14.197 -10.819 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.213 -13.490 -12.091 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.464 -14.298 -12.313 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.388 -13.432 -13.524 1.00 0.00 H new ATOM 1432 N MET A 92 -6.188 -9.985 -10.233 1.00 0.00 N ATOM 1433 CA MET A 92 -5.253 -9.626 -9.133 1.00 0.00 C ATOM 1434 C MET A 92 -5.708 -8.365 -8.427 1.00 0.00 C ATOM 1435 O MET A 92 -5.830 -7.322 -9.035 1.00 0.00 O ATOM 1436 CB MET A 92 -3.864 -9.376 -9.737 1.00 0.00 C ATOM 1437 CG MET A 92 -3.212 -10.720 -10.063 1.00 0.00 C ATOM 1438 SD MET A 92 -2.064 -11.402 -8.843 1.00 0.00 S ATOM 1439 CE MET A 92 -2.733 -13.083 -8.815 1.00 0.00 C ATOM 0 H MET A 92 -6.104 -9.422 -11.080 1.00 0.00 H new ATOM 0 HA MET A 92 -5.227 -10.442 -8.411 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.950 -8.771 -10.639 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.244 -8.817 -9.036 1.00 0.00 H new ATOM 0 HG2 MET A 92 -4.006 -11.450 -10.224 1.00 0.00 H new ATOM 0 HG3 MET A 92 -2.678 -10.616 -11.007 1.00 0.00 H new ATOM 0 HE1 MET A 92 -2.162 -13.690 -8.113 1.00 0.00 H new ATOM 0 HE2 MET A 92 -3.777 -13.054 -8.504 1.00 0.00 H new ATOM 0 HE3 MET A 92 -2.663 -13.519 -9.812 1.00 0.00 H new ATOM 1449 N GLU A 93 -5.944 -8.487 -7.147 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.392 -7.309 -6.368 1.00 0.00 C ATOM 1451 C GLU A 93 -5.259 -6.765 -5.510 1.00 0.00 C ATOM 1452 O GLU A 93 -4.838 -7.393 -4.559 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.540 -7.746 -5.448 1.00 0.00 C ATOM 1454 CG GLU A 93 -8.376 -8.813 -6.158 1.00 0.00 C ATOM 1455 CD GLU A 93 -9.729 -8.948 -5.452 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -10.132 -7.959 -4.862 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -10.282 -10.032 -5.545 1.00 0.00 O ATOM 0 H GLU A 93 -5.845 -9.351 -6.614 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.715 -6.528 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.142 -8.141 -4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.163 -6.889 -5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.524 -8.540 -7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.851 -9.768 -6.149 1.00 0.00 H new ATOM 1464 N ILE A 94 -4.788 -5.607 -5.864 1.00 0.00 N ATOM 1465 CA ILE A 94 -3.690 -4.999 -5.090 1.00 0.00 C ATOM 1466 C ILE A 94 -4.256 -4.173 -3.944 1.00 0.00 C ATOM 1467 O ILE A 94 -5.107 -3.317 -4.147 1.00 0.00 O ATOM 1468 CB ILE A 94 -2.897 -4.080 -6.023 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -1.882 -4.898 -6.809 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.141 -3.042 -5.171 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.880 -4.430 -8.264 1.00 0.00 C ATOM 0 H ILE A 94 -5.119 -5.058 -6.657 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.049 -5.781 -4.682 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.580 -3.584 -6.713 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.889 -4.782 -6.375 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.131 -5.958 -6.755 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.572 -2.381 -5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.856 -2.455 -4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.460 -3.555 -4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.155 -5.012 -8.832 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.873 -4.569 -8.692 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.611 -3.375 -8.306 1.00 0.00 H new ATOM 1483 N VAL A 95 -3.774 -4.453 -2.758 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.258 -3.709 -1.570 1.00 0.00 C ATOM 1485 C VAL A 95 -3.262 -2.641 -1.152 1.00 0.00 C ATOM 1486 O VAL A 95 -2.137 -2.947 -0.807 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.412 -4.711 -0.416 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -4.801 -3.957 0.858 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -5.508 -5.722 -0.768 1.00 0.00 C ATOM 0 H VAL A 95 -3.068 -5.164 -2.568 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.204 -3.225 -1.812 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.471 -5.236 -0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.911 -4.664 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.024 -3.233 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.745 -3.436 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.621 -6.435 0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.451 -5.197 -0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.234 -6.254 -1.679 1.00 0.00 H new ATOM 1499 N ILE A 96 -3.696 -1.403 -1.190 1.00 0.00 N ATOM 1500 CA ILE A 96 -2.793 -0.289 -0.798 1.00 0.00 C ATOM 1501 C ILE A 96 -3.321 0.418 0.441 1.00 0.00 C ATOM 1502 O ILE A 96 -4.359 1.036 0.405 1.00 0.00 O ATOM 1503 CB ILE A 96 -2.742 0.708 -1.955 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.076 0.055 -3.161 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -1.900 1.923 -1.524 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -2.903 0.349 -4.415 1.00 0.00 C ATOM 0 H ILE A 96 -4.634 -1.123 -1.475 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.802 -0.685 -0.576 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.754 1.018 -2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.062 0.436 -3.282 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.996 -1.021 -3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.855 2.643 -2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.357 2.391 -0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.891 1.596 -1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.430 -0.116 -5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.908 -0.054 -4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.960 1.427 -4.569 1.00 0.00 H new ATOM 1518 N THR A 97 -2.595 0.313 1.522 1.00 0.00 N ATOM 1519 CA THR A 97 -3.050 0.977 2.766 1.00 0.00 C ATOM 1520 C THR A 97 -2.508 2.398 2.842 1.00 0.00 C ATOM 1521 O THR A 97 -1.452 2.699 2.311 1.00 0.00 O ATOM 1522 CB THR A 97 -2.548 0.168 3.975 1.00 0.00 C ATOM 1523 OG1 THR A 97 -3.264 0.675 5.084 1.00 0.00 O ATOM 1524 CG2 THR A 97 -1.077 0.482 4.296 1.00 0.00 C ATOM 0 H THR A 97 -1.716 -0.200 1.593 1.00 0.00 H new ATOM 0 HA THR A 97 -4.139 1.022 2.770 1.00 0.00 H new ATOM 0 HB THR A 97 -2.669 -0.896 3.772 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.991 0.198 5.895 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.758 -0.108 5.155 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.456 0.234 3.435 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.973 1.543 4.525 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.242 3.251 3.498 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.789 4.656 3.620 1.00 0.00 C ATOM 1534 C VAL A 98 -1.906 4.840 4.844 1.00 0.00 C ATOM 1535 O VAL A 98 -2.185 4.301 5.898 1.00 0.00 O ATOM 1536 CB VAL A 98 -4.031 5.542 3.774 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -3.594 6.986 4.012 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.861 5.473 2.493 1.00 0.00 C ATOM 0 H VAL A 98 -4.130 3.035 3.951 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.213 4.925 2.734 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.627 5.194 4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.474 7.619 4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.993 7.039 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.002 7.331 3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.745 6.102 2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.263 5.825 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.168 4.443 2.313 1.00 0.00 H new ATOM 1548 N THR A 99 -0.850 5.604 4.672 1.00 0.00 N ATOM 1549 CA THR A 99 0.082 5.850 5.805 1.00 0.00 C ATOM 1550 C THR A 99 0.162 7.338 6.116 1.00 0.00 C ATOM 1551 O THR A 99 0.469 8.140 5.256 1.00 0.00 O ATOM 1552 CB THR A 99 1.474 5.357 5.393 1.00 0.00 C ATOM 1553 OG1 THR A 99 1.281 4.033 4.937 1.00 0.00 O ATOM 1554 CG2 THR A 99 2.390 5.213 6.615 1.00 0.00 C ATOM 0 H THR A 99 -0.600 6.063 3.796 1.00 0.00 H new ATOM 0 HA THR A 99 -0.276 5.324 6.690 1.00 0.00 H new ATOM 0 HB THR A 99 1.909 6.047 4.670 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.021 3.470 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 99 3.371 4.862 6.295 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.494 6.180 7.108 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.957 4.495 7.312 1.00 0.00 H new