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 26 SER OG : rot 61:sc= -0.0867 USER MOD Set 1.2: A 92 MET CE :methyl -109:sc= -0.149 (180deg=-0.682) USER MOD Set 2.1: A 82 SER OG : rot -58:sc= -2.79! USER MOD Set 2.2: A 84 ASN :FLIP amide:sc= -12.6! C(o=-25!,f=-15!) USER MOD Set 3.1: A 8 SER OG : rot -170:sc= 0.873 USER MOD Set 3.2: A 99 THR OG1 : rot 147:sc= 0.984 USER MOD Single : A 9 CYS SG : rot -142:sc= -2.75! USER MOD Single : A 12 ASN : amide:sc= -0.566 K(o=-0.57,f=-1.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -132:sc= -1.45 (180deg=-3.07!) USER MOD Single : A 20 ASN : amide:sc= -0.498 K(o=-0.5,f=-2.2) USER MOD Single : A 23 GLN : amide:sc= -3.46! X(o=-3.5!,f=-3) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.76 K(o=-1.8,f=-4.2) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= -0.065 (180deg=-0.605) USER MOD Single : A 36 TYR OH : rot -15:sc= -4.78! USER MOD Single : A 37 SER OG : rot 61:sc= -0.28 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 41 GLN :FLIP amide:sc= -2.52! C(o=-7.1!,f=-2.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -170:sc= -0.177 USER MOD Single : A 61 LYS NZ :NH3+ 170:sc= -0.0182 (180deg=-0.192) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0514 USER MOD Single : A 64 GLN :FLIP amide:sc=-0.000821 F(o=-1.9,f=-0.00082) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.24 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -7.18! C(o=-7.2!,f=-13!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0316 USER MOD ----------------------------------------------------------------- ATOM 13 N TRP A 2 8.734 -11.731 -6.231 1.00 0.00 N ATOM 14 CA TRP A 2 7.503 -10.921 -6.377 1.00 0.00 C ATOM 15 C TRP A 2 6.321 -11.589 -5.689 1.00 0.00 C ATOM 16 O TRP A 2 5.616 -12.373 -6.285 1.00 0.00 O ATOM 17 CB TRP A 2 7.188 -10.774 -7.884 1.00 0.00 C ATOM 18 CG TRP A 2 7.909 -9.537 -8.453 1.00 0.00 C ATOM 19 CD1 TRP A 2 8.864 -8.861 -7.819 1.00 0.00 C ATOM 20 CD2 TRP A 2 7.648 -8.996 -9.625 1.00 0.00 C ATOM 21 NE1 TRP A 2 9.171 -7.868 -8.674 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.442 -7.884 -9.847 1.00 0.00 C ATOM 23 CE3 TRP A 2 6.753 -9.402 -10.604 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.340 -7.184 -11.031 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.660 -8.699 -11.788 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.456 -7.593 -12.000 1.00 0.00 C ATOM 0 HA TRP A 2 7.666 -9.948 -5.914 1.00 0.00 H new ATOM 0 HB2 TRP A 2 7.505 -11.669 -8.420 1.00 0.00 H new ATOM 0 HB3 TRP A 2 6.112 -10.679 -8.032 1.00 0.00 H new ATOM 0 HD1 TRP A 2 9.292 -9.062 -6.848 1.00 0.00 H new ATOM 0 HE1 TRP A 2 9.881 -7.164 -8.473 1.00 0.00 H new ATOM 0 HE3 TRP A 2 6.129 -10.268 -10.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 8.956 -6.313 -11.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 5.963 -9.016 -12.550 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.384 -7.047 -12.929 1.00 0.00 H new ATOM 37 N VAL A 3 6.129 -11.266 -4.434 1.00 0.00 N ATOM 38 CA VAL A 3 4.997 -11.872 -3.689 1.00 0.00 C ATOM 39 C VAL A 3 4.596 -10.992 -2.509 1.00 0.00 C ATOM 40 O VAL A 3 5.067 -11.176 -1.403 1.00 0.00 O ATOM 41 CB VAL A 3 5.452 -13.236 -3.144 1.00 0.00 C ATOM 42 CG1 VAL A 3 5.041 -14.340 -4.122 1.00 0.00 C ATOM 43 CG2 VAL A 3 6.973 -13.234 -2.997 1.00 0.00 C ATOM 0 H VAL A 3 6.705 -10.614 -3.902 1.00 0.00 H new ATOM 0 HA VAL A 3 4.144 -11.977 -4.360 1.00 0.00 H new ATOM 0 HB VAL A 3 4.986 -13.417 -2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.364 -15.307 -3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.957 -14.339 -4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.509 -14.161 -5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.302 -14.199 -2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.432 -13.056 -3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.271 -12.446 -2.306 1.00 0.00 H new ATOM 53 N ILE A 4 3.731 -10.052 -2.768 1.00 0.00 N ATOM 54 CA ILE A 4 3.283 -9.151 -1.685 1.00 0.00 C ATOM 55 C ILE A 4 1.979 -8.433 -2.083 1.00 0.00 C ATOM 56 O ILE A 4 2.003 -7.357 -2.645 1.00 0.00 O ATOM 57 CB ILE A 4 4.392 -8.119 -1.459 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.012 -7.184 -0.322 1.00 0.00 C ATOM 59 CG2 ILE A 4 4.581 -7.289 -2.741 1.00 0.00 C ATOM 60 CD1 ILE A 4 4.369 -7.846 1.011 1.00 0.00 C ATOM 0 H ILE A 4 3.318 -9.873 -3.684 1.00 0.00 H new ATOM 0 HA ILE A 4 3.088 -9.722 -0.777 1.00 0.00 H new ATOM 0 HB ILE A 4 5.315 -8.640 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.539 -6.235 -0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.945 -6.962 -0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.370 -6.553 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.858 -7.948 -3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.650 -6.777 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.099 -7.181 1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.822 -8.784 1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.440 -8.045 1.043 1.00 0.00 H new ATOM 72 N PRO A 5 0.848 -9.052 -1.780 1.00 0.00 N ATOM 73 CA PRO A 5 -0.448 -8.463 -2.113 1.00 0.00 C ATOM 74 C PRO A 5 -0.666 -7.076 -1.478 1.00 0.00 C ATOM 75 O PRO A 5 -1.143 -6.169 -2.128 1.00 0.00 O ATOM 76 CB PRO A 5 -1.496 -9.472 -1.586 1.00 0.00 C ATOM 77 CG PRO A 5 -0.714 -10.718 -1.055 1.00 0.00 C ATOM 78 CD PRO A 5 0.789 -10.378 -1.128 1.00 0.00 C ATOM 0 HA PRO A 5 -0.522 -8.293 -3.187 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.094 -9.026 -0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.185 -9.760 -2.380 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -1.007 -10.948 -0.031 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.939 -11.599 -1.657 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.236 -10.350 -0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.336 -11.126 -1.703 1.00 0.00 H new ATOM 86 N PRO A 6 -0.310 -6.935 -0.220 1.00 0.00 N ATOM 87 CA PRO A 6 -0.475 -5.665 0.476 1.00 0.00 C ATOM 88 C PRO A 6 0.572 -4.642 0.032 1.00 0.00 C ATOM 89 O PRO A 6 1.699 -4.989 -0.260 1.00 0.00 O ATOM 90 CB PRO A 6 -0.261 -6.005 1.963 1.00 0.00 C ATOM 91 CG PRO A 6 0.238 -7.484 2.027 1.00 0.00 C ATOM 92 CD PRO A 6 0.254 -8.018 0.585 1.00 0.00 C ATOM 0 HA PRO A 6 -1.450 -5.224 0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.470 -5.332 2.411 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.189 -5.887 2.523 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.233 -7.536 2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.420 -8.086 2.654 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.267 -8.263 0.265 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.338 -8.929 0.494 1.00 0.00 H new ATOM 100 N ILE A 7 0.172 -3.400 -0.009 1.00 0.00 N ATOM 101 CA ILE A 7 1.115 -2.328 -0.427 1.00 0.00 C ATOM 102 C ILE A 7 0.924 -1.094 0.453 1.00 0.00 C ATOM 103 O ILE A 7 -0.020 -1.024 1.216 1.00 0.00 O ATOM 104 CB ILE A 7 0.807 -1.955 -1.887 1.00 0.00 C ATOM 105 CG1 ILE A 7 1.435 -2.979 -2.837 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.410 -0.571 -2.186 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.917 -2.645 -3.052 1.00 0.00 C ATOM 0 H ILE A 7 -0.768 -3.083 0.229 1.00 0.00 H new ATOM 0 HA ILE A 7 2.142 -2.681 -0.328 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.273 -1.942 -2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.335 -3.982 -2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.909 -2.974 -3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.197 -0.297 -3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.972 0.169 -1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.489 -0.604 -2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.360 -3.376 -3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.006 -1.649 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.439 -2.673 -2.095 1.00 0.00 H new ATOM 119 N SER A 8 1.831 -0.150 0.340 1.00 0.00 N ATOM 120 CA SER A 8 1.717 1.087 1.163 1.00 0.00 C ATOM 121 C SER A 8 1.839 2.332 0.297 1.00 0.00 C ATOM 122 O SER A 8 2.728 2.434 -0.527 1.00 0.00 O ATOM 123 CB SER A 8 2.857 1.086 2.189 1.00 0.00 C ATOM 124 OG SER A 8 2.929 2.433 2.628 1.00 0.00 O ATOM 0 H SER A 8 2.638 -0.187 -0.283 1.00 0.00 H new ATOM 0 HA SER A 8 0.743 1.101 1.653 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.648 0.408 3.016 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.796 0.762 1.741 1.00 0.00 H new ATOM 0 HG SER A 8 3.736 2.558 3.170 1.00 0.00 H new ATOM 130 N CYS A 9 0.932 3.261 0.507 1.00 0.00 N ATOM 131 CA CYS A 9 0.958 4.522 -0.289 1.00 0.00 C ATOM 132 C CYS A 9 0.853 5.756 0.639 1.00 0.00 C ATOM 133 O CYS A 9 -0.108 5.896 1.369 1.00 0.00 O ATOM 134 CB CYS A 9 -0.263 4.516 -1.221 1.00 0.00 C ATOM 135 SG CYS A 9 -0.083 3.698 -2.826 1.00 0.00 S ATOM 0 H CYS A 9 0.180 3.196 1.193 1.00 0.00 H new ATOM 0 HA CYS A 9 1.892 4.577 -0.848 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.088 4.040 -0.691 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.554 5.551 -1.401 1.00 0.00 H new ATOM 0 HG CYS A 9 -0.732 4.369 -3.730 1.00 0.00 H new ATOM 141 N PRO A 10 1.855 6.640 0.596 1.00 0.00 N ATOM 142 CA PRO A 10 1.846 7.838 1.438 1.00 0.00 C ATOM 143 C PRO A 10 0.656 8.753 1.122 1.00 0.00 C ATOM 144 O PRO A 10 -0.005 8.603 0.104 1.00 0.00 O ATOM 145 CB PRO A 10 3.163 8.572 1.108 1.00 0.00 C ATOM 146 CG PRO A 10 3.925 7.712 0.055 1.00 0.00 C ATOM 147 CD PRO A 10 3.043 6.494 -0.266 1.00 0.00 C ATOM 0 HA PRO A 10 1.757 7.569 2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.959 9.568 0.715 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.766 8.701 2.007 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.121 8.293 -0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.892 7.394 0.446 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.765 6.476 -1.320 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.568 5.562 -0.058 1.00 0.00 H new ATOM 155 N GLU A 11 0.418 9.691 2.008 1.00 0.00 N ATOM 156 CA GLU A 11 -0.713 10.640 1.810 1.00 0.00 C ATOM 157 C GLU A 11 -0.229 12.082 1.810 1.00 0.00 C ATOM 158 O GLU A 11 0.802 12.396 2.365 1.00 0.00 O ATOM 159 CB GLU A 11 -1.686 10.466 2.985 1.00 0.00 C ATOM 160 CG GLU A 11 -0.890 10.444 4.290 1.00 0.00 C ATOM 161 CD GLU A 11 -1.853 10.277 5.467 1.00 0.00 C ATOM 162 OE1 GLU A 11 -2.441 9.212 5.538 1.00 0.00 O ATOM 163 OE2 GLU A 11 -1.945 11.225 6.229 1.00 0.00 O ATOM 0 H GLU A 11 0.961 9.837 2.859 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.187 10.429 0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.409 11.281 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.251 9.540 2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.169 9.626 4.276 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.322 11.368 4.398 1.00 0.00 H new ATOM 170 N ASN A 12 -0.986 12.931 1.179 1.00 0.00 N ATOM 171 CA ASN A 12 -0.602 14.361 1.123 1.00 0.00 C ATOM 172 C ASN A 12 0.804 14.551 0.559 1.00 0.00 C ATOM 173 O ASN A 12 1.502 15.468 0.944 1.00 0.00 O ATOM 174 CB ASN A 12 -0.629 14.918 2.556 1.00 0.00 C ATOM 175 CG ASN A 12 -1.827 14.334 3.305 1.00 0.00 C ATOM 176 OD1 ASN A 12 -2.834 13.991 2.719 1.00 0.00 O ATOM 177 ND2 ASN A 12 -1.759 14.207 4.603 1.00 0.00 N ATOM 0 H ASN A 12 -1.855 12.694 0.700 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.303 14.881 0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.296 14.665 3.074 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.695 16.006 2.534 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.549 13.821 5.120 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.916 14.494 5.100 1.00 0.00 H new ATOM 184 N GLU A 13 1.200 13.692 -0.340 1.00 0.00 N ATOM 185 CA GLU A 13 2.561 13.839 -0.919 1.00 0.00 C ATOM 186 C GLU A 13 2.670 15.145 -1.693 1.00 0.00 C ATOM 187 O GLU A 13 1.805 15.468 -2.485 1.00 0.00 O ATOM 188 CB GLU A 13 2.821 12.667 -1.881 1.00 0.00 C ATOM 189 CG GLU A 13 2.930 11.371 -1.078 1.00 0.00 C ATOM 190 CD GLU A 13 4.266 11.350 -0.335 1.00 0.00 C ATOM 191 OE1 GLU A 13 5.222 10.909 -0.952 1.00 0.00 O ATOM 192 OE2 GLU A 13 4.258 11.778 0.807 1.00 0.00 O ATOM 0 H GLU A 13 0.650 12.909 -0.692 1.00 0.00 H new ATOM 0 HA GLU A 13 3.293 13.842 -0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.012 12.591 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.739 12.839 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.105 11.298 -0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.856 10.510 -1.743 1.00 0.00 H new ATOM 199 N LYS A 14 3.735 15.874 -1.444 1.00 0.00 N ATOM 200 CA LYS A 14 3.933 17.172 -2.152 1.00 0.00 C ATOM 201 C LYS A 14 5.241 17.171 -2.936 1.00 0.00 C ATOM 202 O LYS A 14 6.252 16.692 -2.463 1.00 0.00 O ATOM 203 CB LYS A 14 3.985 18.296 -1.101 1.00 0.00 C ATOM 204 CG LYS A 14 4.806 17.830 0.106 1.00 0.00 C ATOM 205 CD LYS A 14 4.664 18.855 1.238 1.00 0.00 C ATOM 206 CE LYS A 14 4.119 18.158 2.486 1.00 0.00 C ATOM 207 NZ LYS A 14 4.057 19.111 3.630 1.00 0.00 N ATOM 0 H LYS A 14 4.470 15.623 -0.783 1.00 0.00 H new ATOM 0 HA LYS A 14 3.110 17.325 -2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.431 19.192 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.976 18.562 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.461 16.851 0.440 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.854 17.720 -0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.630 19.311 1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.993 19.659 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.125 17.760 2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.755 17.311 2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.685 18.622 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.011 19.471 3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.432 19.905 3.387 1.00 0.00 H new ATOM 221 N GLY A 15 5.191 17.710 -4.123 1.00 0.00 N ATOM 222 CA GLY A 15 6.419 17.755 -4.965 1.00 0.00 C ATOM 223 C GLY A 15 6.042 18.020 -6.422 1.00 0.00 C ATOM 224 O GLY A 15 5.600 19.100 -6.763 1.00 0.00 O ATOM 0 H GLY A 15 4.357 18.119 -4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.088 18.537 -4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.959 16.812 -4.886 1.00 0.00 H new ATOM 228 N GLU A 16 6.228 17.021 -7.249 1.00 0.00 N ATOM 229 CA GLU A 16 5.891 17.176 -8.695 1.00 0.00 C ATOM 230 C GLU A 16 4.970 16.052 -9.153 1.00 0.00 C ATOM 231 O GLU A 16 5.381 14.911 -9.245 1.00 0.00 O ATOM 232 CB GLU A 16 7.195 17.107 -9.507 1.00 0.00 C ATOM 233 CG GLU A 16 8.221 18.056 -8.883 1.00 0.00 C ATOM 234 CD GLU A 16 9.607 17.756 -9.459 1.00 0.00 C ATOM 235 OE1 GLU A 16 10.143 16.730 -9.072 1.00 0.00 O ATOM 236 OE2 GLU A 16 10.051 18.569 -10.252 1.00 0.00 O ATOM 0 H GLU A 16 6.598 16.108 -6.985 1.00 0.00 H new ATOM 0 HA GLU A 16 5.386 18.130 -8.846 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.581 16.088 -9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.008 17.384 -10.544 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.947 19.091 -9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.232 17.936 -7.800 1.00 0.00 H new ATOM 243 N PHE A 17 3.734 16.396 -9.435 1.00 0.00 N ATOM 244 CA PHE A 17 2.772 15.360 -9.889 1.00 0.00 C ATOM 245 C PHE A 17 2.655 15.362 -11.424 1.00 0.00 C ATOM 246 O PHE A 17 2.782 16.395 -12.050 1.00 0.00 O ATOM 247 CB PHE A 17 1.399 15.682 -9.283 1.00 0.00 C ATOM 248 CG PHE A 17 1.365 15.174 -7.841 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.844 15.963 -6.812 1.00 0.00 C ATOM 250 CD2 PHE A 17 0.871 13.913 -7.550 1.00 0.00 C ATOM 251 CE1 PHE A 17 1.832 15.500 -5.515 1.00 0.00 C ATOM 252 CE2 PHE A 17 0.861 13.453 -6.250 1.00 0.00 C ATOM 253 CZ PHE A 17 1.341 14.246 -5.234 1.00 0.00 C ATOM 0 H PHE A 17 3.360 17.343 -9.369 1.00 0.00 H new ATOM 0 HA PHE A 17 3.121 14.378 -9.569 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.218 16.757 -9.309 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.609 15.211 -9.868 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.230 16.949 -7.026 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.492 13.287 -8.345 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.209 16.123 -4.717 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.476 12.469 -6.029 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.332 13.885 -4.216 1.00 0.00 H new ATOM 263 N PRO A 18 2.411 14.190 -12.011 1.00 0.00 N ATOM 264 CA PRO A 18 2.276 12.920 -11.278 1.00 0.00 C ATOM 265 C PRO A 18 3.601 12.474 -10.666 1.00 0.00 C ATOM 266 O PRO A 18 4.657 12.858 -11.134 1.00 0.00 O ATOM 267 CB PRO A 18 1.836 11.896 -12.344 1.00 0.00 C ATOM 268 CG PRO A 18 1.841 12.628 -13.722 1.00 0.00 C ATOM 269 CD PRO A 18 2.224 14.094 -13.461 1.00 0.00 C ATOM 0 HA PRO A 18 1.570 13.018 -10.453 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.514 11.043 -12.360 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.842 11.509 -12.118 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.553 12.161 -14.403 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.860 12.565 -14.194 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.136 14.364 -13.994 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.442 14.772 -13.803 1.00 0.00 H new ATOM 277 N LYS A 19 3.518 11.673 -9.623 1.00 0.00 N ATOM 278 CA LYS A 19 4.771 11.197 -8.967 1.00 0.00 C ATOM 279 C LYS A 19 4.741 9.708 -8.674 1.00 0.00 C ATOM 280 O LYS A 19 3.697 9.130 -8.441 1.00 0.00 O ATOM 281 CB LYS A 19 4.916 11.944 -7.639 1.00 0.00 C ATOM 282 CG LYS A 19 6.261 11.594 -7.015 1.00 0.00 C ATOM 283 CD LYS A 19 6.739 12.779 -6.181 1.00 0.00 C ATOM 284 CE LYS A 19 5.648 13.150 -5.177 1.00 0.00 C ATOM 285 NZ LYS A 19 4.749 14.195 -5.743 1.00 0.00 N ATOM 0 H LYS A 19 2.649 11.337 -9.208 1.00 0.00 H new ATOM 0 HA LYS A 19 5.604 11.387 -9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.846 13.019 -7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.105 11.671 -6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.167 10.706 -6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.989 11.362 -7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.661 12.525 -5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.962 13.629 -6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.068 12.264 -4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.102 13.514 -4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.618 14.955 -5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.174 14.587 -6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.827 13.773 -5.972 1.00 0.00 H new ATOM 299 N ASN A 20 5.906 9.113 -8.691 1.00 0.00 N ATOM 300 CA ASN A 20 5.997 7.663 -8.417 1.00 0.00 C ATOM 301 C ASN A 20 5.836 7.382 -6.926 1.00 0.00 C ATOM 302 O ASN A 20 6.120 8.232 -6.105 1.00 0.00 O ATOM 303 CB ASN A 20 7.376 7.180 -8.863 1.00 0.00 C ATOM 304 CG ASN A 20 7.452 7.217 -10.390 1.00 0.00 C ATOM 305 OD1 ASN A 20 7.300 8.254 -11.007 1.00 0.00 O ATOM 306 ND2 ASN A 20 7.683 6.109 -11.038 1.00 0.00 N ATOM 0 H ASN A 20 6.794 9.576 -8.884 1.00 0.00 H new ATOM 0 HA ASN A 20 5.204 7.145 -8.956 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.153 7.812 -8.433 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.554 6.167 -8.503 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.735 6.115 -12.057 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.811 5.236 -10.526 1.00 0.00 H new ATOM 313 N LEU A 21 5.377 6.188 -6.604 1.00 0.00 N ATOM 314 CA LEU A 21 5.189 5.830 -5.165 1.00 0.00 C ATOM 315 C LEU A 21 5.884 4.517 -4.827 1.00 0.00 C ATOM 316 O LEU A 21 6.762 4.479 -3.989 1.00 0.00 O ATOM 317 CB LEU A 21 3.685 5.662 -4.892 1.00 0.00 C ATOM 318 CG LEU A 21 3.018 7.040 -4.808 1.00 0.00 C ATOM 319 CD1 LEU A 21 1.544 6.854 -4.441 1.00 0.00 C ATOM 320 CD2 LEU A 21 3.702 7.877 -3.723 1.00 0.00 C ATOM 0 H LEU A 21 5.129 5.458 -7.272 1.00 0.00 H new ATOM 0 HA LEU A 21 5.619 6.624 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.225 5.072 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.533 5.116 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 21 3.106 7.549 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.059 7.828 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.052 6.252 -5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.470 6.349 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.226 8.856 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.610 7.371 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.757 8.000 -3.969 1.00 0.00 H new ATOM 332 N VAL A 22 5.485 3.458 -5.483 1.00 0.00 N ATOM 333 CA VAL A 22 6.128 2.149 -5.192 1.00 0.00 C ATOM 334 C VAL A 22 6.098 1.224 -6.399 1.00 0.00 C ATOM 335 O VAL A 22 5.224 1.311 -7.237 1.00 0.00 O ATOM 336 CB VAL A 22 5.356 1.483 -4.045 1.00 0.00 C ATOM 337 CG1 VAL A 22 4.044 0.911 -4.584 1.00 0.00 C ATOM 338 CG2 VAL A 22 6.200 0.346 -3.469 1.00 0.00 C ATOM 0 H VAL A 22 4.755 3.444 -6.195 1.00 0.00 H new ATOM 0 HA VAL A 22 7.171 2.326 -4.928 1.00 0.00 H new ATOM 0 HB VAL A 22 5.144 2.218 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.493 0.437 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.444 1.715 -5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.259 0.172 -5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.658 -0.132 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.403 -0.388 -4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.142 0.746 -3.093 1.00 0.00 H new ATOM 348 N GLN A 23 7.062 0.344 -6.459 1.00 0.00 N ATOM 349 CA GLN A 23 7.122 -0.603 -7.595 1.00 0.00 C ATOM 350 C GLN A 23 6.123 -1.738 -7.403 1.00 0.00 C ATOM 351 O GLN A 23 5.779 -2.078 -6.289 1.00 0.00 O ATOM 352 CB GLN A 23 8.544 -1.192 -7.645 1.00 0.00 C ATOM 353 CG GLN A 23 8.955 -1.434 -9.101 1.00 0.00 C ATOM 354 CD GLN A 23 8.493 -2.828 -9.531 1.00 0.00 C ATOM 355 OE1 GLN A 23 8.768 -3.812 -8.877 1.00 0.00 O ATOM 356 NE2 GLN A 23 7.788 -2.956 -10.623 1.00 0.00 N ATOM 0 H GLN A 23 7.806 0.245 -5.769 1.00 0.00 H new ATOM 0 HA GLN A 23 6.878 -0.080 -8.519 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.247 -0.509 -7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.580 -2.128 -7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.512 -0.676 -9.747 1.00 0.00 H new ATOM 0 HG3 GLN A 23 10.037 -1.349 -9.205 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.553 -2.133 -11.178 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.472 -3.879 -10.921 1.00 0.00 H new ATOM 365 N ILE A 24 5.678 -2.307 -8.496 1.00 0.00 N ATOM 366 CA ILE A 24 4.698 -3.421 -8.391 1.00 0.00 C ATOM 367 C ILE A 24 5.371 -4.781 -8.493 1.00 0.00 C ATOM 368 O ILE A 24 6.447 -4.913 -9.045 1.00 0.00 O ATOM 369 CB ILE A 24 3.704 -3.305 -9.540 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.774 -2.113 -9.315 1.00 0.00 C ATOM 371 CG2 ILE A 24 2.868 -4.593 -9.581 1.00 0.00 C ATOM 372 CD1 ILE A 24 1.642 -2.512 -8.358 1.00 0.00 C ATOM 0 H ILE A 24 5.950 -2.049 -9.445 1.00 0.00 H new ATOM 0 HA ILE A 24 4.209 -3.346 -7.420 1.00 0.00 H new ATOM 0 HB ILE A 24 4.240 -3.160 -10.478 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.335 -1.275 -8.901 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.358 -1.779 -10.266 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.148 -4.534 -10.397 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.525 -5.448 -9.738 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.337 -4.712 -8.637 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.981 -1.659 -8.200 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.074 -3.336 -8.790 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.066 -2.824 -7.403 1.00 0.00 H new ATOM 384 N LYS A 25 4.711 -5.770 -7.952 1.00 0.00 N ATOM 385 CA LYS A 25 5.263 -7.141 -7.989 1.00 0.00 C ATOM 386 C LYS A 25 4.144 -8.164 -8.219 1.00 0.00 C ATOM 387 O LYS A 25 3.207 -8.236 -7.450 1.00 0.00 O ATOM 388 CB LYS A 25 5.933 -7.412 -6.643 1.00 0.00 C ATOM 389 CG LYS A 25 7.064 -6.399 -6.437 1.00 0.00 C ATOM 390 CD LYS A 25 7.890 -6.806 -5.220 1.00 0.00 C ATOM 391 CE LYS A 25 8.654 -5.587 -4.702 1.00 0.00 C ATOM 392 NZ LYS A 25 9.262 -5.885 -3.378 1.00 0.00 N ATOM 0 H LYS A 25 3.809 -5.679 -7.485 1.00 0.00 H new ATOM 0 HA LYS A 25 5.980 -7.230 -8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.204 -7.332 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.328 -8.428 -6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.697 -6.358 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.652 -5.400 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.240 -7.201 -4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.587 -7.600 -5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.432 -5.308 -5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.979 -4.735 -4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.778 -5.049 -3.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.513 -6.130 -2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.921 -6.685 -3.470 1.00 0.00 H new ATOM 406 N SER A 26 4.268 -8.937 -9.273 1.00 0.00 N ATOM 407 CA SER A 26 3.221 -9.960 -9.569 1.00 0.00 C ATOM 408 C SER A 26 3.660 -11.340 -9.117 1.00 0.00 C ATOM 409 O SER A 26 3.933 -11.559 -7.959 1.00 0.00 O ATOM 410 CB SER A 26 3.005 -10.002 -11.090 1.00 0.00 C ATOM 411 OG SER A 26 1.824 -10.775 -11.252 1.00 0.00 O ATOM 0 H SER A 26 5.044 -8.902 -9.935 1.00 0.00 H new ATOM 0 HA SER A 26 2.308 -9.689 -9.039 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.885 -9.000 -11.503 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.853 -10.458 -11.600 1.00 0.00 H new ATOM 0 HG SER A 26 1.077 -10.329 -10.801 1.00 0.00 H new ATOM 417 N ASN A 27 3.710 -12.250 -10.049 1.00 0.00 N ATOM 418 CA ASN A 27 4.127 -13.628 -9.709 1.00 0.00 C ATOM 419 C ASN A 27 4.621 -14.351 -10.961 1.00 0.00 C ATOM 420 O ASN A 27 5.670 -14.961 -10.957 1.00 0.00 O ATOM 421 CB ASN A 27 2.902 -14.377 -9.109 1.00 0.00 C ATOM 422 CG ASN A 27 2.438 -15.494 -10.056 1.00 0.00 C ATOM 423 OD1 ASN A 27 1.447 -15.366 -10.748 1.00 0.00 O ATOM 424 ND2 ASN A 27 3.125 -16.603 -10.113 1.00 0.00 N ATOM 0 H ASN A 27 3.479 -12.094 -11.030 1.00 0.00 H new ATOM 0 HA ASN A 27 4.941 -13.603 -8.985 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.166 -14.800 -8.140 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.086 -13.674 -8.939 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.829 -17.355 -10.735 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.958 -16.717 -9.535 1.00 0.00 H new ATOM 431 N ARG A 28 3.854 -14.259 -12.014 1.00 0.00 N ATOM 432 CA ARG A 28 4.260 -14.932 -13.275 1.00 0.00 C ATOM 433 C ARG A 28 5.637 -14.454 -13.705 1.00 0.00 C ATOM 434 O ARG A 28 6.239 -14.997 -14.616 1.00 0.00 O ATOM 435 CB ARG A 28 3.249 -14.560 -14.375 1.00 0.00 C ATOM 436 CG ARG A 28 1.827 -14.763 -13.848 1.00 0.00 C ATOM 437 CD ARG A 28 1.573 -16.260 -13.654 1.00 0.00 C ATOM 438 NE ARG A 28 0.142 -16.470 -13.285 1.00 0.00 N ATOM 439 CZ ARG A 28 -0.775 -15.697 -13.801 1.00 0.00 C ATOM 440 NH1 ARG A 28 -1.056 -15.812 -15.070 1.00 0.00 N ATOM 441 NH2 ARG A 28 -1.380 -14.835 -13.030 1.00 0.00 N ATOM 0 H ARG A 28 2.971 -13.750 -12.053 1.00 0.00 H new ATOM 0 HA ARG A 28 4.285 -16.010 -13.116 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.391 -13.523 -14.679 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.413 -15.177 -15.259 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.697 -14.234 -12.904 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.103 -14.347 -14.549 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.809 -16.803 -14.569 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.224 -16.654 -12.873 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.117 -17.212 -12.635 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.562 -16.497 -15.642 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.770 -15.217 -15.490 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.134 -14.774 -12.042 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.099 -14.223 -13.415 1.00 0.00 H new ATOM 455 N ASP A 29 6.116 -13.449 -13.029 1.00 0.00 N ATOM 456 CA ASP A 29 7.449 -12.906 -13.368 1.00 0.00 C ATOM 457 C ASP A 29 8.537 -13.936 -13.097 1.00 0.00 C ATOM 458 O ASP A 29 9.701 -13.599 -13.001 1.00 0.00 O ATOM 459 CB ASP A 29 7.693 -11.667 -12.489 1.00 0.00 C ATOM 460 CG ASP A 29 8.275 -12.103 -11.144 1.00 0.00 C ATOM 461 OD1 ASP A 29 7.871 -13.164 -10.697 1.00 0.00 O ATOM 462 OD2 ASP A 29 9.094 -11.352 -10.639 1.00 0.00 O ATOM 0 H ASP A 29 5.639 -12.983 -12.257 1.00 0.00 H new ATOM 0 HA ASP A 29 7.480 -12.648 -14.427 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.378 -10.982 -12.989 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.759 -11.127 -12.335 1.00 0.00 H new ATOM 467 N LYS A 30 8.131 -15.178 -12.975 1.00 0.00 N ATOM 468 CA LYS A 30 9.112 -16.260 -12.711 1.00 0.00 C ATOM 469 C LYS A 30 9.264 -17.151 -13.936 1.00 0.00 C ATOM 470 O LYS A 30 9.974 -18.137 -13.900 1.00 0.00 O ATOM 471 CB LYS A 30 8.589 -17.113 -11.541 1.00 0.00 C ATOM 472 CG LYS A 30 8.858 -16.381 -10.219 1.00 0.00 C ATOM 473 CD LYS A 30 9.699 -17.277 -9.305 1.00 0.00 C ATOM 474 CE LYS A 30 11.121 -17.371 -9.862 1.00 0.00 C ATOM 475 NZ LYS A 30 12.073 -17.796 -8.794 1.00 0.00 N ATOM 0 H LYS A 30 7.160 -15.482 -13.048 1.00 0.00 H new ATOM 0 HA LYS A 30 10.080 -15.819 -12.472 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.521 -17.295 -11.658 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.080 -18.086 -11.538 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.381 -15.444 -10.409 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.916 -16.128 -9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.718 -16.870 -8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.255 -18.270 -9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.149 -18.083 -10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.425 -16.405 -10.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.033 -17.855 -9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.059 -17.102 -8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.791 -18.728 -8.428 1.00 0.00 H new ATOM 489 N GLU A 31 8.584 -16.786 -15.004 1.00 0.00 N ATOM 490 CA GLU A 31 8.674 -17.601 -16.251 1.00 0.00 C ATOM 491 C GLU A 31 8.878 -16.717 -17.478 1.00 0.00 C ATOM 492 O GLU A 31 9.500 -17.125 -18.439 1.00 0.00 O ATOM 493 CB GLU A 31 7.359 -18.377 -16.425 1.00 0.00 C ATOM 494 CG GLU A 31 6.187 -17.502 -15.976 1.00 0.00 C ATOM 495 CD GLU A 31 4.876 -18.164 -16.404 1.00 0.00 C ATOM 496 OE1 GLU A 31 4.850 -18.636 -17.529 1.00 0.00 O ATOM 497 OE2 GLU A 31 3.974 -18.162 -15.583 1.00 0.00 O ATOM 0 H GLU A 31 7.979 -15.967 -15.060 1.00 0.00 H new ATOM 0 HA GLU A 31 9.525 -18.276 -16.162 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.231 -18.668 -17.468 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.386 -19.296 -15.839 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.207 -17.373 -14.894 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.268 -16.509 -16.417 1.00 0.00 H new ATOM 504 N THR A 32 8.353 -15.525 -17.425 1.00 0.00 N ATOM 505 CA THR A 32 8.512 -14.611 -18.586 1.00 0.00 C ATOM 506 C THR A 32 8.288 -13.161 -18.171 1.00 0.00 C ATOM 507 O THR A 32 7.425 -12.872 -17.366 1.00 0.00 O ATOM 508 CB THR A 32 7.457 -14.989 -19.644 1.00 0.00 C ATOM 509 OG1 THR A 32 7.976 -14.523 -20.873 1.00 0.00 O ATOM 510 CG2 THR A 32 6.163 -14.188 -19.442 1.00 0.00 C ATOM 0 H THR A 32 7.827 -15.148 -16.637 1.00 0.00 H new ATOM 0 HA THR A 32 9.523 -14.709 -18.981 1.00 0.00 H new ATOM 0 HB THR A 32 7.253 -16.059 -19.594 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.348 -14.735 -21.595 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.436 -14.474 -20.202 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.756 -14.398 -18.453 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.377 -13.123 -19.528 1.00 0.00 H new ATOM 518 N LYS A 33 9.071 -12.268 -18.722 1.00 0.00 N ATOM 519 CA LYS A 33 8.898 -10.843 -18.358 1.00 0.00 C ATOM 520 C LYS A 33 7.425 -10.471 -18.462 1.00 0.00 C ATOM 521 O LYS A 33 6.883 -10.380 -19.546 1.00 0.00 O ATOM 522 CB LYS A 33 9.708 -9.985 -19.337 1.00 0.00 C ATOM 523 CG LYS A 33 10.382 -8.848 -18.565 1.00 0.00 C ATOM 524 CD LYS A 33 10.991 -7.861 -19.559 1.00 0.00 C ATOM 525 CE LYS A 33 11.389 -6.584 -18.818 1.00 0.00 C ATOM 526 NZ LYS A 33 11.985 -6.915 -17.493 1.00 0.00 N ATOM 0 H LYS A 33 9.810 -12.466 -19.397 1.00 0.00 H new ATOM 0 HA LYS A 33 9.243 -10.673 -17.338 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.458 -10.595 -19.840 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.056 -9.580 -20.111 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.655 -8.342 -17.930 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.156 -9.246 -17.909 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.863 -8.303 -20.041 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.274 -7.630 -20.347 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.105 -6.018 -19.414 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.514 -5.948 -18.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.505 -6.090 -17.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.229 -7.169 -16.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.638 -7.717 -17.597 1.00 0.00 H new ATOM 540 N VAL A 34 6.808 -10.261 -17.331 1.00 0.00 N ATOM 541 CA VAL A 34 5.369 -9.897 -17.333 1.00 0.00 C ATOM 542 C VAL A 34 5.138 -8.390 -17.154 1.00 0.00 C ATOM 543 O VAL A 34 5.755 -7.751 -16.325 1.00 0.00 O ATOM 544 CB VAL A 34 4.707 -10.646 -16.163 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.305 -10.155 -14.847 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.209 -10.372 -16.161 1.00 0.00 C ATOM 0 H VAL A 34 7.240 -10.326 -16.409 1.00 0.00 H new ATOM 0 HA VAL A 34 4.942 -10.171 -18.298 1.00 0.00 H new ATOM 0 HB VAL A 34 4.882 -11.716 -16.275 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.838 -10.683 -14.016 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.378 -10.346 -14.841 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.126 -9.085 -14.743 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.743 -10.904 -15.331 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.035 -9.302 -16.050 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.775 -10.714 -17.101 1.00 0.00 H new ATOM 556 N PHE A 35 4.240 -7.864 -17.958 1.00 0.00 N ATOM 557 CA PHE A 35 3.914 -6.420 -17.892 1.00 0.00 C ATOM 558 C PHE A 35 2.650 -6.244 -17.061 1.00 0.00 C ATOM 559 O PHE A 35 1.883 -7.185 -16.910 1.00 0.00 O ATOM 560 CB PHE A 35 3.651 -5.909 -19.325 1.00 0.00 C ATOM 561 CG PHE A 35 4.987 -5.624 -20.035 1.00 0.00 C ATOM 562 CD1 PHE A 35 6.161 -6.226 -19.609 1.00 0.00 C ATOM 563 CD2 PHE A 35 5.033 -4.762 -21.120 1.00 0.00 C ATOM 564 CE1 PHE A 35 7.353 -5.971 -20.256 1.00 0.00 C ATOM 565 CE2 PHE A 35 6.229 -4.511 -21.763 1.00 0.00 C ATOM 566 CZ PHE A 35 7.385 -5.115 -21.330 1.00 0.00 C ATOM 0 H PHE A 35 3.719 -8.388 -18.661 1.00 0.00 H new ATOM 0 HA PHE A 35 4.736 -5.864 -17.442 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.082 -6.651 -19.886 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.047 -5.003 -19.292 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.143 -6.899 -18.765 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.128 -4.284 -21.464 1.00 0.00 H new ATOM 0 HE1 PHE A 35 8.262 -6.445 -19.917 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.256 -3.839 -22.608 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.319 -4.917 -21.834 1.00 0.00 H new ATOM 576 N TYR A 36 2.431 -5.045 -16.560 1.00 0.00 N ATOM 577 CA TYR A 36 1.206 -4.809 -15.723 1.00 0.00 C ATOM 578 C TYR A 36 0.128 -3.967 -16.391 1.00 0.00 C ATOM 579 O TYR A 36 0.300 -3.412 -17.458 1.00 0.00 O ATOM 580 CB TYR A 36 1.642 -4.055 -14.465 1.00 0.00 C ATOM 581 CG TYR A 36 2.408 -4.995 -13.558 1.00 0.00 C ATOM 582 CD1 TYR A 36 3.766 -5.134 -13.693 1.00 0.00 C ATOM 583 CD2 TYR A 36 1.751 -5.719 -12.588 1.00 0.00 C ATOM 584 CE1 TYR A 36 4.463 -5.982 -12.875 1.00 0.00 C ATOM 585 CE2 TYR A 36 2.449 -6.569 -11.767 1.00 0.00 C ATOM 586 CZ TYR A 36 3.815 -6.709 -11.905 1.00 0.00 C ATOM 587 OH TYR A 36 4.522 -7.556 -11.085 1.00 0.00 O ATOM 0 H TYR A 36 3.036 -4.234 -16.692 1.00 0.00 H new ATOM 0 HA TYR A 36 0.773 -5.791 -15.531 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.266 -3.203 -14.736 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.770 -3.659 -13.944 1.00 0.00 H new ATOM 0 HD1 TYR A 36 4.289 -4.570 -14.451 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.682 -5.617 -12.473 1.00 0.00 H new ATOM 0 HE1 TYR A 36 5.532 -6.081 -12.993 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.926 -7.132 -11.008 1.00 0.00 H new ATOM 0 HH TYR A 36 5.414 -7.708 -11.462 1.00 0.00 H new ATOM 597 N SER A 37 -0.979 -3.913 -15.694 1.00 0.00 N ATOM 598 CA SER A 37 -2.162 -3.148 -16.144 1.00 0.00 C ATOM 599 C SER A 37 -3.023 -2.883 -14.912 1.00 0.00 C ATOM 600 O SER A 37 -3.037 -3.695 -14.007 1.00 0.00 O ATOM 601 CB SER A 37 -2.957 -3.994 -17.149 1.00 0.00 C ATOM 602 OG SER A 37 -2.192 -5.182 -17.286 1.00 0.00 O ATOM 0 H SER A 37 -1.106 -4.388 -14.800 1.00 0.00 H new ATOM 0 HA SER A 37 -1.867 -2.213 -16.621 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.962 -4.207 -16.783 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.068 -3.479 -18.103 1.00 0.00 H new ATOM 0 HG SER A 37 -2.124 -5.630 -16.417 1.00 0.00 H new ATOM 608 N ILE A 38 -3.721 -1.768 -14.879 1.00 0.00 N ATOM 609 CA ILE A 38 -4.572 -1.483 -13.673 1.00 0.00 C ATOM 610 C ILE A 38 -5.989 -1.042 -14.025 1.00 0.00 C ATOM 611 O ILE A 38 -6.233 -0.449 -15.056 1.00 0.00 O ATOM 612 CB ILE A 38 -3.905 -0.359 -12.884 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.910 0.252 -11.919 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.443 0.729 -13.870 1.00 0.00 C ATOM 615 CD1 ILE A 38 -4.176 1.166 -10.938 1.00 0.00 C ATOM 0 H ILE A 38 -3.740 -1.060 -15.613 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.654 -2.408 -13.102 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.056 -0.755 -12.327 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.662 0.818 -12.469 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.436 -0.534 -11.378 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.964 1.539 -13.320 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.732 0.301 -14.577 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.305 1.118 -14.412 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.893 1.606 -10.245 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.441 0.586 -10.380 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.670 1.959 -11.489 1.00 0.00 H new ATOM 627 N THR A 39 -6.901 -1.355 -13.131 1.00 0.00 N ATOM 628 CA THR A 39 -8.323 -0.986 -13.340 1.00 0.00 C ATOM 629 C THR A 39 -9.069 -1.001 -11.999 1.00 0.00 C ATOM 630 O THR A 39 -8.754 -1.788 -11.124 1.00 0.00 O ATOM 631 CB THR A 39 -8.966 -2.018 -14.278 1.00 0.00 C ATOM 632 OG1 THR A 39 -10.359 -1.856 -14.116 1.00 0.00 O ATOM 633 CG2 THR A 39 -8.686 -3.446 -13.795 1.00 0.00 C ATOM 0 H THR A 39 -6.710 -1.854 -12.262 1.00 0.00 H new ATOM 0 HA THR A 39 -8.380 0.012 -13.773 1.00 0.00 H new ATOM 0 HB THR A 39 -8.591 -1.877 -15.292 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.832 -2.491 -14.694 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.152 -4.158 -14.476 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.610 -3.618 -13.771 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.097 -3.579 -12.794 1.00 0.00 H new ATOM 641 N GLY A 40 -10.036 -0.121 -11.859 1.00 0.00 N ATOM 642 CA GLY A 40 -10.818 -0.067 -10.576 1.00 0.00 C ATOM 643 C GLY A 40 -10.923 1.377 -10.068 1.00 0.00 C ATOM 644 O GLY A 40 -10.331 2.283 -10.634 1.00 0.00 O ATOM 0 H GLY A 40 -10.316 0.556 -12.569 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.816 -0.476 -10.735 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.335 -0.689 -9.823 1.00 0.00 H new ATOM 648 N GLN A 41 -11.679 1.570 -9.010 1.00 0.00 N ATOM 649 CA GLN A 41 -11.816 2.941 -8.476 1.00 0.00 C ATOM 650 C GLN A 41 -10.435 3.531 -8.229 1.00 0.00 C ATOM 651 O GLN A 41 -9.587 2.906 -7.626 1.00 0.00 O ATOM 652 CB GLN A 41 -12.665 2.891 -7.164 1.00 0.00 C ATOM 653 CG GLN A 41 -11.798 3.116 -5.911 1.00 0.00 C ATOM 654 CD GLN A 41 -10.929 1.885 -5.666 1.00 0.00 C ATOM 655 OE1 GLN A 41 -11.167 0.797 -6.348 1.00 0.00 O flip ATOM 656 NE2 GLN A 41 -10.028 1.900 -4.851 1.00 0.00 N flip ATOM 0 H GLN A 41 -12.193 0.845 -8.510 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.328 3.582 -9.193 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -13.445 3.651 -7.207 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -13.165 1.925 -7.091 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.170 3.997 -6.044 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -12.433 3.304 -5.045 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.838 2.747 -4.316 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.461 1.065 -4.702 1.00 0.00 H new ATOM 665 N GLY A 42 -10.236 4.721 -8.722 1.00 0.00 N ATOM 666 CA GLY A 42 -8.917 5.395 -8.545 1.00 0.00 C ATOM 667 C GLY A 42 -8.234 5.495 -9.912 1.00 0.00 C ATOM 668 O GLY A 42 -7.375 6.331 -10.127 1.00 0.00 O ATOM 0 H GLY A 42 -10.930 5.258 -9.241 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.054 6.388 -8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.294 4.831 -7.851 1.00 0.00 H new ATOM 672 N ALA A 43 -8.643 4.620 -10.806 1.00 0.00 N ATOM 673 CA ALA A 43 -8.060 4.615 -12.174 1.00 0.00 C ATOM 674 C ALA A 43 -9.149 4.884 -13.203 1.00 0.00 C ATOM 675 O ALA A 43 -9.167 5.924 -13.835 1.00 0.00 O ATOM 676 CB ALA A 43 -7.460 3.224 -12.443 1.00 0.00 C ATOM 0 H ALA A 43 -9.357 3.911 -10.639 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.295 5.387 -12.248 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.027 3.202 -13.443 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.684 3.014 -11.707 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.243 2.470 -12.370 1.00 0.00 H new ATOM 682 N ASP A 44 -10.051 3.936 -13.340 1.00 0.00 N ATOM 683 CA ASP A 44 -11.158 4.101 -14.321 1.00 0.00 C ATOM 684 C ASP A 44 -12.476 4.405 -13.605 1.00 0.00 C ATOM 685 O ASP A 44 -13.350 5.041 -14.161 1.00 0.00 O ATOM 686 CB ASP A 44 -11.320 2.784 -15.097 1.00 0.00 C ATOM 687 CG ASP A 44 -12.130 1.798 -14.252 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.597 1.391 -13.235 1.00 0.00 O ATOM 689 OD2 ASP A 44 -13.239 1.512 -14.672 1.00 0.00 O ATOM 0 H ASP A 44 -10.062 3.062 -12.814 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.919 4.928 -14.990 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.824 2.967 -16.046 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.342 2.363 -15.331 1.00 0.00 H new ATOM 694 N LYS A 45 -12.590 3.946 -12.378 1.00 0.00 N ATOM 695 CA LYS A 45 -13.844 4.196 -11.607 1.00 0.00 C ATOM 696 C LYS A 45 -13.654 5.379 -10.640 1.00 0.00 C ATOM 697 O LYS A 45 -12.555 5.656 -10.202 1.00 0.00 O ATOM 698 CB LYS A 45 -14.174 2.926 -10.792 1.00 0.00 C ATOM 699 CG LYS A 45 -15.293 2.145 -11.497 1.00 0.00 C ATOM 700 CD LYS A 45 -15.647 0.905 -10.667 1.00 0.00 C ATOM 701 CE LYS A 45 -17.089 0.486 -10.975 1.00 0.00 C ATOM 702 NZ LYS A 45 -17.164 -0.190 -12.301 1.00 0.00 N ATOM 0 H LYS A 45 -11.873 3.414 -11.884 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.653 4.435 -12.297 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.286 2.302 -10.694 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.485 3.198 -9.783 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.172 2.778 -11.620 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.972 1.849 -12.496 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.962 0.090 -10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.538 1.121 -9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.453 -0.185 -10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.738 1.362 -10.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.148 -0.467 -12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.836 0.462 -13.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.561 -1.037 -12.293 1.00 0.00 H new ATOM 716 N PRO A 46 -14.742 6.072 -10.340 1.00 0.00 N ATOM 717 CA PRO A 46 -14.690 7.217 -9.434 1.00 0.00 C ATOM 718 C PRO A 46 -14.104 6.828 -8.057 1.00 0.00 C ATOM 719 O PRO A 46 -14.521 5.850 -7.467 1.00 0.00 O ATOM 720 CB PRO A 46 -16.166 7.644 -9.255 1.00 0.00 C ATOM 721 CG PRO A 46 -17.035 6.690 -10.129 1.00 0.00 C ATOM 722 CD PRO A 46 -16.072 5.750 -10.870 1.00 0.00 C ATOM 0 HA PRO A 46 -14.055 8.007 -9.836 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.460 7.580 -8.207 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.306 8.680 -9.562 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.726 6.121 -9.507 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.638 7.259 -10.837 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.325 4.705 -10.691 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.116 5.909 -11.947 1.00 0.00 H new ATOM 730 N PRO A 47 -13.136 7.606 -7.562 1.00 0.00 N ATOM 731 CA PRO A 47 -12.563 8.766 -8.270 1.00 0.00 C ATOM 732 C PRO A 47 -11.728 8.316 -9.470 1.00 0.00 C ATOM 733 O PRO A 47 -10.705 7.680 -9.311 1.00 0.00 O ATOM 734 CB PRO A 47 -11.638 9.437 -7.236 1.00 0.00 C ATOM 735 CG PRO A 47 -11.581 8.504 -5.988 1.00 0.00 C ATOM 736 CD PRO A 47 -12.578 7.359 -6.229 1.00 0.00 C ATOM 0 HA PRO A 47 -13.342 9.429 -8.647 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.641 9.584 -7.651 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -12.018 10.421 -6.963 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.573 8.113 -5.846 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.840 9.055 -5.084 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -12.082 6.389 -6.184 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -13.360 7.352 -5.470 1.00 0.00 H new ATOM 744 N VAL A 48 -12.171 8.660 -10.643 1.00 0.00 N ATOM 745 CA VAL A 48 -11.417 8.259 -11.851 1.00 0.00 C ATOM 746 C VAL A 48 -10.235 9.186 -12.102 1.00 0.00 C ATOM 747 O VAL A 48 -10.360 10.392 -12.025 1.00 0.00 O ATOM 748 CB VAL A 48 -12.373 8.331 -13.051 1.00 0.00 C ATOM 749 CG1 VAL A 48 -12.987 9.732 -13.127 1.00 0.00 C ATOM 750 CG2 VAL A 48 -11.595 8.047 -14.338 1.00 0.00 C ATOM 0 H VAL A 48 -13.020 9.199 -10.814 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.029 7.250 -11.710 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.165 7.591 -12.933 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.666 9.786 -13.978 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.538 9.938 -12.209 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.194 10.471 -13.248 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.272 8.098 -15.191 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.805 8.789 -14.457 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.153 7.052 -14.284 1.00 0.00 H new ATOM 760 N GLY A 49 -9.100 8.604 -12.393 1.00 0.00 N ATOM 761 CA GLY A 49 -7.893 9.442 -12.655 1.00 0.00 C ATOM 762 C GLY A 49 -7.156 9.780 -11.354 1.00 0.00 C ATOM 763 O GLY A 49 -7.155 10.915 -10.919 1.00 0.00 O ATOM 0 H GLY A 49 -8.958 7.596 -12.460 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.220 8.913 -13.330 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.189 10.363 -13.157 1.00 0.00 H new ATOM 767 N VAL A 50 -6.546 8.785 -10.763 1.00 0.00 N ATOM 768 CA VAL A 50 -5.802 9.022 -9.495 1.00 0.00 C ATOM 769 C VAL A 50 -4.494 8.254 -9.503 1.00 0.00 C ATOM 770 O VAL A 50 -3.432 8.826 -9.311 1.00 0.00 O ATOM 771 CB VAL A 50 -6.651 8.519 -8.323 1.00 0.00 C ATOM 772 CG1 VAL A 50 -6.175 9.193 -7.038 1.00 0.00 C ATOM 773 CG2 VAL A 50 -8.113 8.878 -8.569 1.00 0.00 C ATOM 0 H VAL A 50 -6.532 7.824 -11.104 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.597 10.088 -9.397 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.551 7.437 -8.232 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.774 8.840 -6.199 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.127 8.947 -6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.283 10.274 -7.132 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.720 8.522 -7.737 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.213 9.960 -8.654 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.452 8.409 -9.493 1.00 0.00 H new ATOM 783 N PHE A 51 -4.605 6.960 -9.708 1.00 0.00 N ATOM 784 CA PHE A 51 -3.393 6.092 -9.740 1.00 0.00 C ATOM 785 C PHE A 51 -3.087 5.600 -11.152 1.00 0.00 C ATOM 786 O PHE A 51 -3.976 5.367 -11.948 1.00 0.00 O ATOM 787 CB PHE A 51 -3.633 4.852 -8.852 1.00 0.00 C ATOM 788 CG PHE A 51 -3.299 5.159 -7.386 1.00 0.00 C ATOM 789 CD1 PHE A 51 -3.575 6.394 -6.824 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.680 4.194 -6.611 1.00 0.00 C ATOM 791 CE1 PHE A 51 -3.231 6.653 -5.510 1.00 0.00 C ATOM 792 CE2 PHE A 51 -2.339 4.457 -5.304 1.00 0.00 C ATOM 793 CZ PHE A 51 -2.613 5.683 -4.755 1.00 0.00 C ATOM 0 H PHE A 51 -5.488 6.471 -9.854 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.553 6.686 -9.381 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.673 4.536 -8.934 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.019 4.023 -9.204 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.060 7.157 -7.414 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.462 3.225 -7.036 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.448 7.618 -5.076 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.855 3.696 -4.710 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.344 5.887 -3.729 1.00 0.00 H new ATOM 803 N ILE A 52 -1.825 5.456 -11.421 1.00 0.00 N ATOM 804 CA ILE A 52 -1.386 4.982 -12.752 1.00 0.00 C ATOM 805 C ILE A 52 -0.202 4.038 -12.580 1.00 0.00 C ATOM 806 O ILE A 52 0.603 4.227 -11.688 1.00 0.00 O ATOM 807 CB ILE A 52 -0.952 6.190 -13.583 1.00 0.00 C ATOM 808 CG1 ILE A 52 -0.070 7.096 -12.740 1.00 0.00 C ATOM 809 CG2 ILE A 52 -2.205 6.976 -13.997 1.00 0.00 C ATOM 810 CD1 ILE A 52 0.483 8.221 -13.617 1.00 0.00 C ATOM 0 H ILE A 52 -1.069 5.650 -10.764 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.201 4.458 -13.252 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.402 5.853 -14.461 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.643 7.513 -11.912 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.749 6.523 -12.304 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.912 7.842 -14.591 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.858 6.334 -14.589 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.736 7.311 -13.106 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.116 8.873 -13.016 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.070 7.794 -14.430 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.343 8.799 -14.031 1.00 0.00 H new ATOM 822 N ILE A 53 -0.113 3.039 -13.428 1.00 0.00 N ATOM 823 CA ILE A 53 1.025 2.077 -13.307 1.00 0.00 C ATOM 824 C ILE A 53 1.726 1.859 -14.638 1.00 0.00 C ATOM 825 O ILE A 53 1.113 1.889 -15.686 1.00 0.00 O ATOM 826 CB ILE A 53 0.464 0.730 -12.828 1.00 0.00 C ATOM 827 CG1 ILE A 53 0.391 0.718 -11.311 1.00 0.00 C ATOM 828 CG2 ILE A 53 1.418 -0.398 -13.275 1.00 0.00 C ATOM 829 CD1 ILE A 53 -0.471 -0.461 -10.853 1.00 0.00 C ATOM 0 H ILE A 53 -0.769 2.852 -14.186 1.00 0.00 H new ATOM 0 HA ILE A 53 1.750 2.488 -12.604 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.530 0.583 -13.250 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.392 0.636 -10.888 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.033 1.655 -10.949 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.028 -1.359 -12.939 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.497 -0.398 -14.362 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.404 -0.235 -12.840 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.525 -0.471 -9.764 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.475 -0.359 -11.265 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.028 -1.393 -11.203 1.00 0.00 H new ATOM 841 N GLU A 54 3.014 1.643 -14.561 1.00 0.00 N ATOM 842 CA GLU A 54 3.791 1.416 -15.797 1.00 0.00 C ATOM 843 C GLU A 54 3.753 -0.063 -16.156 1.00 0.00 C ATOM 844 O GLU A 54 4.379 -0.877 -15.514 1.00 0.00 O ATOM 845 CB GLU A 54 5.246 1.834 -15.541 1.00 0.00 C ATOM 846 CG GLU A 54 6.097 1.474 -16.760 1.00 0.00 C ATOM 847 CD GLU A 54 5.509 2.140 -18.004 1.00 0.00 C ATOM 848 OE1 GLU A 54 4.616 1.534 -18.572 1.00 0.00 O ATOM 849 OE2 GLU A 54 5.986 3.219 -18.315 1.00 0.00 O ATOM 0 H GLU A 54 3.552 1.616 -13.695 1.00 0.00 H new ATOM 0 HA GLU A 54 3.368 1.998 -16.616 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.300 2.906 -15.349 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.630 1.331 -14.654 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.125 1.803 -16.609 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.124 0.392 -16.892 1.00 0.00 H new ATOM 856 N ARG A 55 3.012 -0.378 -17.171 1.00 0.00 N ATOM 857 CA ARG A 55 2.910 -1.796 -17.596 1.00 0.00 C ATOM 858 C ARG A 55 4.277 -2.406 -17.888 1.00 0.00 C ATOM 859 O ARG A 55 4.411 -3.610 -17.957 1.00 0.00 O ATOM 860 CB ARG A 55 2.069 -1.850 -18.881 1.00 0.00 C ATOM 861 CG ARG A 55 2.828 -1.142 -20.005 1.00 0.00 C ATOM 862 CD ARG A 55 1.964 -1.131 -21.270 1.00 0.00 C ATOM 863 NE ARG A 55 1.055 0.049 -21.226 1.00 0.00 N ATOM 864 CZ ARG A 55 1.563 1.245 -21.108 1.00 0.00 C ATOM 865 NH1 ARG A 55 2.647 1.539 -21.774 1.00 0.00 N ATOM 866 NH2 ARG A 55 0.972 2.107 -20.325 1.00 0.00 N ATOM 0 H ARG A 55 2.471 0.284 -17.727 1.00 0.00 H new ATOM 0 HA ARG A 55 2.453 -2.365 -16.786 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.869 -2.885 -19.156 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.103 -1.371 -18.719 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.072 -0.122 -19.708 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.772 -1.652 -20.200 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.596 -1.087 -22.157 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.384 -2.051 -21.338 1.00 0.00 H new ATOM 0 HE ARG A 55 0.045 -0.077 -21.288 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.082 0.839 -22.374 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.058 2.469 -21.694 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.128 1.841 -19.818 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.355 3.047 -20.220 1.00 0.00 H new ATOM 880 N GLU A 56 5.273 -1.574 -18.041 1.00 0.00 N ATOM 881 CA GLU A 56 6.629 -2.113 -18.329 1.00 0.00 C ATOM 882 C GLU A 56 7.415 -2.387 -17.053 1.00 0.00 C ATOM 883 O GLU A 56 7.663 -3.524 -16.709 1.00 0.00 O ATOM 884 CB GLU A 56 7.391 -1.071 -19.160 1.00 0.00 C ATOM 885 CG GLU A 56 6.623 -0.810 -20.455 1.00 0.00 C ATOM 886 CD GLU A 56 7.499 0.006 -21.407 1.00 0.00 C ATOM 887 OE1 GLU A 56 7.835 1.113 -21.018 1.00 0.00 O ATOM 888 OE2 GLU A 56 7.785 -0.525 -22.468 1.00 0.00 O ATOM 0 H GLU A 56 5.206 -0.558 -17.980 1.00 0.00 H new ATOM 0 HA GLU A 56 6.519 -3.056 -18.865 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.501 -0.146 -18.594 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.396 -1.429 -19.384 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.342 -1.754 -20.921 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.699 -0.272 -20.241 1.00 0.00 H new ATOM 895 N THR A 57 7.791 -1.343 -16.373 1.00 0.00 N ATOM 896 CA THR A 57 8.564 -1.538 -15.117 1.00 0.00 C ATOM 897 C THR A 57 7.647 -1.899 -13.959 1.00 0.00 C ATOM 898 O THR A 57 8.075 -2.479 -12.981 1.00 0.00 O ATOM 899 CB THR A 57 9.284 -0.229 -14.781 1.00 0.00 C ATOM 900 OG1 THR A 57 8.272 0.754 -14.736 1.00 0.00 O ATOM 901 CG2 THR A 57 10.197 0.209 -15.936 1.00 0.00 C ATOM 0 H THR A 57 7.600 -0.374 -16.628 1.00 0.00 H new ATOM 0 HA THR A 57 9.274 -2.352 -15.266 1.00 0.00 H new ATOM 0 HB THR A 57 9.862 -0.353 -13.865 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.681 1.643 -14.681 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.696 1.141 -15.672 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.944 -0.563 -16.122 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.599 0.360 -16.835 1.00 0.00 H new ATOM 909 N GLY A 58 6.402 -1.552 -14.087 1.00 0.00 N ATOM 910 CA GLY A 58 5.444 -1.870 -12.996 1.00 0.00 C ATOM 911 C GLY A 58 5.514 -0.796 -11.912 1.00 0.00 C ATOM 912 O GLY A 58 5.117 -1.016 -10.784 1.00 0.00 O ATOM 0 H GLY A 58 6.007 -1.066 -14.892 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.432 -1.930 -13.395 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.677 -2.846 -12.569 1.00 0.00 H new ATOM 916 N TRP A 59 6.024 0.346 -12.274 1.00 0.00 N ATOM 917 CA TRP A 59 6.127 1.441 -11.284 1.00 0.00 C ATOM 918 C TRP A 59 4.753 2.021 -10.988 1.00 0.00 C ATOM 919 O TRP A 59 4.046 2.437 -11.889 1.00 0.00 O ATOM 920 CB TRP A 59 7.015 2.548 -11.875 1.00 0.00 C ATOM 921 CG TRP A 59 8.402 2.488 -11.229 1.00 0.00 C ATOM 922 CD1 TRP A 59 9.497 2.075 -11.849 1.00 0.00 C ATOM 923 CD2 TRP A 59 8.663 2.842 -9.997 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.458 2.197 -10.914 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.004 2.681 -9.700 1.00 0.00 C ATOM 926 CE3 TRP A 59 7.800 3.322 -9.033 1.00 0.00 C ATOM 927 CZ2 TRP A 59 10.479 3.000 -8.445 1.00 0.00 C ATOM 928 CZ3 TRP A 59 8.276 3.641 -7.776 1.00 0.00 C ATOM 929 CH2 TRP A 59 9.616 3.480 -7.483 1.00 0.00 C ATOM 0 H TRP A 59 6.371 0.564 -13.208 1.00 0.00 H new ATOM 0 HA TRP A 59 6.553 1.052 -10.359 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.099 2.424 -12.955 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.563 3.524 -11.700 1.00 0.00 H new ATOM 0 HD1 TRP A 59 9.596 1.723 -12.865 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.434 1.954 -11.085 1.00 0.00 H new ATOM 0 HE3 TRP A 59 6.752 3.448 -9.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 11.527 2.874 -8.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 7.600 4.016 -7.022 1.00 0.00 H new ATOM 0 HH2 TRP A 59 9.988 3.730 -6.500 1.00 0.00 H new ATOM 940 N LEU A 60 4.388 2.030 -9.732 1.00 0.00 N ATOM 941 CA LEU A 60 3.062 2.582 -9.370 1.00 0.00 C ATOM 942 C LEU A 60 3.173 4.063 -9.059 1.00 0.00 C ATOM 943 O LEU A 60 3.734 4.448 -8.044 1.00 0.00 O ATOM 944 CB LEU A 60 2.548 1.853 -8.111 1.00 0.00 C ATOM 945 CG LEU A 60 1.005 1.802 -8.128 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.504 1.326 -6.761 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.435 3.200 -8.403 1.00 0.00 C ATOM 0 H LEU A 60 4.948 1.682 -8.954 1.00 0.00 H new ATOM 0 HA LEU A 60 2.378 2.441 -10.207 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.954 0.842 -8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.894 2.368 -7.215 1.00 0.00 H new ATOM 0 HG LEU A 60 0.680 1.117 -8.911 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.585 1.288 -6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.901 0.332 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.839 2.019 -5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.654 3.153 -8.413 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.762 3.886 -7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.792 3.555 -9.370 1.00 0.00 H new ATOM 959 N LYS A 61 2.639 4.866 -9.943 1.00 0.00 N ATOM 960 CA LYS A 61 2.687 6.335 -9.744 1.00 0.00 C ATOM 961 C LYS A 61 1.288 6.868 -9.631 1.00 0.00 C ATOM 962 O LYS A 61 0.354 6.215 -10.029 1.00 0.00 O ATOM 963 CB LYS A 61 3.381 6.986 -10.957 1.00 0.00 C ATOM 964 CG LYS A 61 4.271 5.951 -11.647 1.00 0.00 C ATOM 965 CD LYS A 61 4.921 6.590 -12.880 1.00 0.00 C ATOM 966 CE LYS A 61 5.666 5.512 -13.672 1.00 0.00 C ATOM 967 NZ LYS A 61 5.297 5.573 -15.116 1.00 0.00 N ATOM 0 H LYS A 61 2.171 4.561 -10.796 1.00 0.00 H new ATOM 0 HA LYS A 61 3.240 6.564 -8.833 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.636 7.365 -11.656 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.978 7.839 -10.634 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.038 5.596 -10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.680 5.083 -11.941 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.161 7.058 -13.506 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.611 7.377 -12.575 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.742 5.649 -13.560 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.426 4.527 -13.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.930 4.955 -15.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.314 5.255 -15.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.389 6.551 -15.457 1.00 0.00 H new ATOM 981 N VAL A 62 1.156 8.036 -9.074 1.00 0.00 N ATOM 982 CA VAL A 62 -0.204 8.615 -8.933 1.00 0.00 C ATOM 983 C VAL A 62 -0.220 10.111 -9.187 1.00 0.00 C ATOM 984 O VAL A 62 0.770 10.805 -8.978 1.00 0.00 O ATOM 985 CB VAL A 62 -0.689 8.352 -7.497 1.00 0.00 C ATOM 986 CG1 VAL A 62 -0.101 7.028 -7.008 1.00 0.00 C ATOM 987 CG2 VAL A 62 -0.214 9.485 -6.582 1.00 0.00 C ATOM 0 H VAL A 62 1.920 8.608 -8.715 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.854 8.147 -9.672 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.778 8.304 -7.479 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.440 6.833 -5.990 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.431 6.220 -7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.987 7.085 -7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.557 9.299 -5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.875 9.531 -6.595 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.621 10.433 -6.935 1.00 0.00 H new ATOM 997 N THR A 63 -1.346 10.578 -9.660 1.00 0.00 N ATOM 998 CA THR A 63 -1.484 12.014 -9.942 1.00 0.00 C ATOM 999 C THR A 63 -2.010 12.712 -8.702 1.00 0.00 C ATOM 1000 O THR A 63 -1.865 13.908 -8.550 1.00 0.00 O ATOM 1001 CB THR A 63 -2.489 12.201 -11.084 1.00 0.00 C ATOM 1002 OG1 THR A 63 -3.587 11.376 -10.754 1.00 0.00 O ATOM 1003 CG2 THR A 63 -1.944 11.613 -12.393 1.00 0.00 C ATOM 0 H THR A 63 -2.172 10.014 -9.860 1.00 0.00 H new ATOM 0 HA THR A 63 -0.518 12.434 -10.223 1.00 0.00 H new ATOM 0 HB THR A 63 -2.716 13.260 -11.206 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.273 11.451 -11.450 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.675 11.758 -13.189 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.014 12.116 -12.658 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.756 10.547 -12.263 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.624 11.932 -7.833 1.00 0.00 N ATOM 1012 CA GLN A 64 -3.181 12.510 -6.579 1.00 0.00 C ATOM 1013 C GLN A 64 -2.797 11.634 -5.358 1.00 0.00 C ATOM 1014 O GLN A 64 -3.018 10.440 -5.367 1.00 0.00 O ATOM 1015 CB GLN A 64 -4.710 12.524 -6.705 1.00 0.00 C ATOM 1016 CG GLN A 64 -5.133 13.726 -7.556 1.00 0.00 C ATOM 1017 CD GLN A 64 -6.642 13.673 -7.795 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -7.198 12.527 -8.077 1.00 0.00 O flip ATOM 1019 NE2 GLN A 64 -7.328 14.673 -7.727 1.00 0.00 N flip ATOM 0 H GLN A 64 -2.758 10.927 -7.945 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.782 13.514 -6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.058 11.598 -7.163 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.168 12.583 -5.718 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.866 14.655 -7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.602 13.716 -8.508 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.899 15.572 -7.507 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.333 14.614 -7.890 1.00 0.00 H new ATOM 1028 N PRO A 65 -2.221 12.252 -4.320 1.00 0.00 N ATOM 1029 CA PRO A 65 -1.819 11.513 -3.116 1.00 0.00 C ATOM 1030 C PRO A 65 -3.026 10.938 -2.383 1.00 0.00 C ATOM 1031 O PRO A 65 -4.152 11.125 -2.801 1.00 0.00 O ATOM 1032 CB PRO A 65 -1.143 12.565 -2.213 1.00 0.00 C ATOM 1033 CG PRO A 65 -1.326 13.953 -2.898 1.00 0.00 C ATOM 1034 CD PRO A 65 -1.938 13.697 -4.284 1.00 0.00 C ATOM 0 HA PRO A 65 -1.169 10.676 -3.371 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.593 12.565 -1.220 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.085 12.337 -2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.976 14.593 -2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.369 14.467 -2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.848 14.280 -4.427 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.248 13.983 -5.078 1.00 0.00 H new ATOM 1042 N LEU A 66 -2.767 10.246 -1.295 1.00 0.00 N ATOM 1043 CA LEU A 66 -3.888 9.653 -0.520 1.00 0.00 C ATOM 1044 C LEU A 66 -4.241 10.545 0.664 1.00 0.00 C ATOM 1045 O LEU A 66 -3.534 11.488 0.958 1.00 0.00 O ATOM 1046 CB LEU A 66 -3.449 8.274 0.005 1.00 0.00 C ATOM 1047 CG LEU A 66 -3.092 7.371 -1.180 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -2.956 5.931 -0.687 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -4.209 7.441 -2.224 1.00 0.00 C ATOM 0 H LEU A 66 -1.835 10.072 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.761 9.557 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.590 8.381 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.250 7.824 0.592 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.153 7.701 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.702 5.282 -1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.169 5.877 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.900 5.606 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.958 6.800 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.145 7.105 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.320 8.469 -2.569 1.00 0.00 H new ATOM 1061 N ASP A 67 -5.334 10.242 1.320 1.00 0.00 N ATOM 1062 CA ASP A 67 -5.737 11.075 2.488 1.00 0.00 C ATOM 1063 C ASP A 67 -6.398 10.233 3.569 1.00 0.00 C ATOM 1064 O ASP A 67 -7.516 9.783 3.415 1.00 0.00 O ATOM 1065 CB ASP A 67 -6.747 12.126 2.007 1.00 0.00 C ATOM 1066 CG ASP A 67 -7.064 13.080 3.159 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -6.642 12.759 4.259 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -7.710 14.076 2.875 1.00 0.00 O ATOM 0 H ASP A 67 -5.955 9.464 1.099 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.845 11.539 2.908 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.339 12.680 1.162 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.659 11.640 1.660 1.00 0.00 H new ATOM 1073 N ARG A 68 -5.698 10.042 4.653 1.00 0.00 N ATOM 1074 CA ARG A 68 -6.270 9.233 5.754 1.00 0.00 C ATOM 1075 C ARG A 68 -7.624 9.789 6.191 1.00 0.00 C ATOM 1076 O ARG A 68 -8.498 9.050 6.598 1.00 0.00 O ATOM 1077 CB ARG A 68 -5.301 9.286 6.944 1.00 0.00 C ATOM 1078 CG ARG A 68 -4.988 7.860 7.401 1.00 0.00 C ATOM 1079 CD ARG A 68 -4.133 7.918 8.666 1.00 0.00 C ATOM 1080 NE ARG A 68 -5.029 8.018 9.850 1.00 0.00 N ATOM 1081 CZ ARG A 68 -4.507 8.109 11.039 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -3.681 9.088 11.292 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -4.830 7.220 11.937 1.00 0.00 N ATOM 0 H ARG A 68 -4.761 10.410 4.819 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.412 8.209 5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.383 9.799 6.658 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.742 9.855 7.763 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.912 7.316 7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.460 7.320 6.615 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.509 7.028 8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.462 8.776 8.628 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.042 8.015 9.731 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.455 9.765 10.564 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.262 9.175 12.218 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.481 6.471 11.702 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.432 7.274 12.874 1.00 0.00 H new ATOM 1097 N GLU A 69 -7.776 11.084 6.098 1.00 0.00 N ATOM 1098 CA GLU A 69 -9.068 11.692 6.505 1.00 0.00 C ATOM 1099 C GLU A 69 -10.199 11.197 5.613 1.00 0.00 C ATOM 1100 O GLU A 69 -11.340 11.142 6.026 1.00 0.00 O ATOM 1101 CB GLU A 69 -8.959 13.219 6.360 1.00 0.00 C ATOM 1102 CG GLU A 69 -8.196 13.786 7.559 1.00 0.00 C ATOM 1103 CD GLU A 69 -9.080 13.707 8.804 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -10.178 13.196 8.657 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -8.607 14.162 9.834 1.00 0.00 O ATOM 0 H GLU A 69 -7.068 11.737 5.762 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.283 11.412 7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.444 13.472 5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.953 13.663 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.275 13.225 7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.910 14.820 7.367 1.00 0.00 H new ATOM 1112 N ALA A 70 -9.856 10.842 4.400 1.00 0.00 N ATOM 1113 CA ALA A 70 -10.893 10.346 3.460 1.00 0.00 C ATOM 1114 C ALA A 70 -10.911 8.824 3.432 1.00 0.00 C ATOM 1115 O ALA A 70 -11.923 8.209 3.706 1.00 0.00 O ATOM 1116 CB ALA A 70 -10.555 10.860 2.051 1.00 0.00 C ATOM 0 H ALA A 70 -8.907 10.876 4.027 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.870 10.703 3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.306 10.506 1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.545 11.950 2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.574 10.489 1.754 1.00 0.00 H new ATOM 1122 N ILE A 71 -9.783 8.248 3.098 1.00 0.00 N ATOM 1123 CA ILE A 71 -9.695 6.766 3.040 1.00 0.00 C ATOM 1124 C ILE A 71 -8.400 6.280 3.678 1.00 0.00 C ATOM 1125 O ILE A 71 -7.353 6.866 3.483 1.00 0.00 O ATOM 1126 CB ILE A 71 -9.701 6.348 1.572 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.068 6.614 0.961 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -9.410 4.840 1.489 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -10.885 7.099 -0.479 1.00 0.00 C ATOM 0 H ILE A 71 -8.923 8.744 2.864 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.537 6.333 3.579 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.946 6.917 1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.671 5.706 0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.602 7.363 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.411 4.526 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.435 4.633 1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.178 4.291 2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.861 7.292 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.297 8.017 -0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -10.367 6.334 -1.057 1.00 0.00 H new ATOM 1141 N ALA A 72 -8.493 5.212 4.426 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.276 4.672 5.084 1.00 0.00 C ATOM 1143 C ALA A 72 -6.670 3.537 4.266 1.00 0.00 C ATOM 1144 O ALA A 72 -5.545 3.136 4.498 1.00 0.00 O ATOM 1145 CB ALA A 72 -7.677 4.124 6.463 1.00 0.00 C ATOM 0 H ALA A 72 -9.354 4.696 4.607 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.538 5.469 5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.797 3.722 6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.102 4.928 7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.417 3.333 6.339 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.420 3.039 3.319 1.00 0.00 N ATOM 1152 CA LYS A 73 -6.888 1.932 2.486 1.00 0.00 C ATOM 1153 C LYS A 73 -7.579 1.874 1.126 1.00 0.00 C ATOM 1154 O LYS A 73 -8.785 1.752 1.043 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.149 0.611 3.224 1.00 0.00 C ATOM 1156 CG LYS A 73 -6.727 -0.556 2.331 1.00 0.00 C ATOM 1157 CD LYS A 73 -6.978 -1.871 3.073 1.00 0.00 C ATOM 1158 CE LYS A 73 -5.915 -2.045 4.164 1.00 0.00 C ATOM 1159 NZ LYS A 73 -6.550 -2.061 5.512 1.00 0.00 N ATOM 0 H LYS A 73 -8.365 3.348 3.091 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.823 2.097 2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.592 0.588 4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.205 0.526 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.290 -0.538 1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.673 -0.467 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.974 -1.868 3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.942 -2.708 2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.368 -2.974 4.002 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.190 -1.233 4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.817 -2.180 6.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.053 -1.164 5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.225 -2.850 5.569 1.00 0.00 H new ATOM 1173 N TYR A 74 -6.791 1.962 0.084 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.366 1.915 -1.285 1.00 0.00 C ATOM 1175 C TYR A 74 -7.212 0.522 -1.882 1.00 0.00 C ATOM 1176 O TYR A 74 -6.281 -0.190 -1.556 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.597 2.911 -2.167 1.00 0.00 C ATOM 1178 CG TYR A 74 -6.856 4.332 -1.671 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.421 4.729 -0.423 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.527 5.240 -2.466 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -6.653 6.012 0.023 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.759 6.523 -2.020 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.325 6.920 -0.772 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.557 8.205 -0.325 1.00 0.00 O ATOM 0 H TYR A 74 -5.777 2.064 0.127 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.426 2.166 -1.237 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.530 2.692 -2.136 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.913 2.813 -3.206 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.895 4.029 0.209 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.873 4.942 -3.445 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.307 6.310 1.002 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.285 7.223 -2.652 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.041 8.708 -1.013 1.00 0.00 H new ATOM 1194 N ILE A 75 -8.132 0.159 -2.742 1.00 0.00 N ATOM 1195 CA ILE A 75 -8.067 -1.186 -3.380 1.00 0.00 C ATOM 1196 C ILE A 75 -8.164 -1.066 -4.892 1.00 0.00 C ATOM 1197 O ILE A 75 -8.982 -0.330 -5.403 1.00 0.00 O ATOM 1198 CB ILE A 75 -9.252 -2.013 -2.883 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -9.107 -2.285 -1.394 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -9.258 -3.357 -3.627 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -10.301 -3.117 -0.922 1.00 0.00 C ATOM 0 H ILE A 75 -8.923 0.737 -3.027 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.120 -1.659 -3.121 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.177 -1.466 -3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.176 -2.817 -1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.061 -1.346 -0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.099 -3.959 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.353 -3.179 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.327 -3.887 -3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.206 -3.317 0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.224 -2.567 -1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.325 -4.060 -1.467 1.00 0.00 H new ATOM 1213 N LEU A 76 -7.323 -1.793 -5.583 1.00 0.00 N ATOM 1214 CA LEU A 76 -7.351 -1.735 -7.072 1.00 0.00 C ATOM 1215 C LEU A 76 -7.191 -3.126 -7.665 1.00 0.00 C ATOM 1216 O LEU A 76 -6.829 -4.054 -6.975 1.00 0.00 O ATOM 1217 CB LEU A 76 -6.162 -0.879 -7.555 1.00 0.00 C ATOM 1218 CG LEU A 76 -6.211 0.502 -6.892 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -4.849 1.186 -7.035 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -7.262 1.357 -7.593 1.00 0.00 C ATOM 0 H LEU A 76 -6.624 -2.419 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.304 -1.310 -7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.223 -1.376 -7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.196 -0.773 -8.639 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.460 0.388 -5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.884 2.168 -6.564 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.084 0.578 -6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.608 1.299 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.301 2.341 -7.126 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.000 1.465 -8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.237 0.876 -7.510 1.00 0.00 H new ATOM 1232 N TYR A 77 -7.481 -3.238 -8.936 1.00 0.00 N ATOM 1233 CA TYR A 77 -7.355 -4.554 -9.618 1.00 0.00 C ATOM 1234 C TYR A 77 -6.332 -4.429 -10.730 1.00 0.00 C ATOM 1235 O TYR A 77 -6.191 -3.369 -11.309 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.718 -4.930 -10.219 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.611 -5.503 -9.114 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -9.606 -6.856 -8.838 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -10.440 -4.675 -8.385 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -10.418 -7.372 -7.849 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -11.252 -5.192 -7.396 1.00 0.00 C ATOM 1242 CZ TYR A 77 -11.248 -6.544 -7.120 1.00 0.00 C ATOM 1243 OH TYR A 77 -12.063 -7.059 -6.132 1.00 0.00 O ATOM 0 H TYR A 77 -7.800 -2.472 -9.529 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.040 -5.321 -8.911 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.187 -4.053 -10.665 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.589 -5.662 -11.016 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.962 -7.515 -9.401 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.453 -3.615 -8.590 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.404 -8.432 -7.644 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.896 -4.533 -6.833 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.578 -6.333 -5.721 1.00 0.00 H new ATOM 1253 N SER A 78 -5.626 -5.500 -11.014 1.00 0.00 N ATOM 1254 CA SER A 78 -4.605 -5.417 -12.101 1.00 0.00 C ATOM 1255 C SER A 78 -4.578 -6.651 -12.990 1.00 0.00 C ATOM 1256 O SER A 78 -5.049 -7.719 -12.621 1.00 0.00 O ATOM 1257 CB SER A 78 -3.225 -5.272 -11.446 1.00 0.00 C ATOM 1258 OG SER A 78 -3.034 -6.502 -10.764 1.00 0.00 O ATOM 0 H SER A 78 -5.711 -6.405 -10.552 1.00 0.00 H new ATOM 0 HA SER A 78 -4.863 -4.565 -12.730 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.446 -5.104 -12.190 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.197 -4.427 -10.759 1.00 0.00 H new ATOM 0 HG SER A 78 -2.164 -6.494 -10.313 1.00 0.00 H new ATOM 1264 N HIS A 79 -4.014 -6.458 -14.161 1.00 0.00 N ATOM 1265 CA HIS A 79 -3.904 -7.560 -15.148 1.00 0.00 C ATOM 1266 C HIS A 79 -2.441 -7.731 -15.554 1.00 0.00 C ATOM 1267 O HIS A 79 -1.677 -6.778 -15.518 1.00 0.00 O ATOM 1268 CB HIS A 79 -4.728 -7.187 -16.390 1.00 0.00 C ATOM 1269 CG HIS A 79 -6.126 -6.753 -15.951 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -7.172 -7.403 -16.156 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.522 -5.624 -15.264 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -8.187 -6.814 -15.676 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.871 -5.663 -15.083 1.00 0.00 N ATOM 0 H HIS A 79 -3.623 -5.568 -14.470 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.273 -8.489 -14.713 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.239 -6.381 -16.938 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.794 -8.039 -17.067 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.206 -8.296 -16.648 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.867 -4.835 -14.924 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -9.193 -7.201 -15.740 1.00 0.00 H new ATOM 1281 N ALA A 80 -2.074 -8.939 -15.924 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.654 -9.195 -16.334 1.00 0.00 C ATOM 1283 C ALA A 80 -0.545 -9.712 -17.774 1.00 0.00 C ATOM 1284 O ALA A 80 -1.366 -10.481 -18.233 1.00 0.00 O ATOM 1285 CB ALA A 80 -0.082 -10.262 -15.393 1.00 0.00 C ATOM 0 H ALA A 80 -2.691 -9.751 -15.959 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.106 -8.255 -16.278 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.952 -10.471 -15.666 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.120 -9.899 -14.366 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.671 -11.175 -15.478 1.00 0.00 H new ATOM 1291 N VAL A 81 0.491 -9.279 -18.454 1.00 0.00 N ATOM 1292 CA VAL A 81 0.690 -9.725 -19.871 1.00 0.00 C ATOM 1293 C VAL A 81 2.156 -10.066 -20.117 1.00 0.00 C ATOM 1294 O VAL A 81 3.015 -9.528 -19.485 1.00 0.00 O ATOM 1295 CB VAL A 81 0.284 -8.570 -20.802 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -0.556 -9.120 -21.954 1.00 0.00 C ATOM 1297 CG2 VAL A 81 -0.552 -7.554 -20.017 1.00 0.00 C ATOM 0 H VAL A 81 1.201 -8.642 -18.093 1.00 0.00 H new ATOM 0 HA VAL A 81 0.084 -10.610 -20.063 1.00 0.00 H new ATOM 0 HB VAL A 81 1.180 -8.088 -21.194 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.845 -8.303 -22.616 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.028 -9.851 -22.513 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.451 -9.599 -21.556 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.841 -6.734 -20.675 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.447 -8.041 -19.630 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.036 -7.163 -19.187 1.00 0.00 H new ATOM 1307 N SER A 82 2.417 -10.967 -21.022 1.00 0.00 N ATOM 1308 CA SER A 82 3.842 -11.319 -21.284 1.00 0.00 C ATOM 1309 C SER A 82 4.442 -10.388 -22.332 1.00 0.00 C ATOM 1310 O SER A 82 3.934 -10.269 -23.426 1.00 0.00 O ATOM 1311 CB SER A 82 3.924 -12.763 -21.799 1.00 0.00 C ATOM 1312 OG SER A 82 3.543 -12.669 -23.163 1.00 0.00 O ATOM 0 H SER A 82 1.724 -11.466 -21.581 1.00 0.00 H new ATOM 0 HA SER A 82 4.401 -11.216 -20.354 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.931 -13.167 -21.694 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.257 -13.422 -21.244 1.00 0.00 H new ATOM 0 HG SER A 82 2.644 -12.284 -23.226 1.00 0.00 H new ATOM 1318 N SER A 83 5.518 -9.745 -21.971 1.00 0.00 N ATOM 1319 CA SER A 83 6.170 -8.817 -22.927 1.00 0.00 C ATOM 1320 C SER A 83 6.503 -9.517 -24.242 1.00 0.00 C ATOM 1321 O SER A 83 7.068 -8.917 -25.136 1.00 0.00 O ATOM 1322 CB SER A 83 7.474 -8.311 -22.288 1.00 0.00 C ATOM 1323 OG SER A 83 8.453 -9.259 -22.694 1.00 0.00 O ATOM 0 H SER A 83 5.969 -9.823 -21.060 1.00 0.00 H new ATOM 0 HA SER A 83 5.488 -7.995 -23.143 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.724 -7.308 -22.634 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.393 -8.263 -21.202 1.00 0.00 H new ATOM 0 HG SER A 83 9.325 -9.006 -22.326 1.00 0.00 H new ATOM 1329 N ASN A 84 6.150 -10.771 -24.338 1.00 0.00 N ATOM 1330 CA ASN A 84 6.445 -11.512 -25.593 1.00 0.00 C ATOM 1331 C ASN A 84 5.268 -11.439 -26.559 1.00 0.00 C ATOM 1332 O ASN A 84 5.443 -11.536 -27.757 1.00 0.00 O ATOM 1333 CB ASN A 84 6.715 -12.986 -25.240 1.00 0.00 C ATOM 1334 CG ASN A 84 5.396 -13.686 -24.902 1.00 0.00 C ATOM 1335 OD1 ASN A 84 4.426 -13.680 -25.779 1.00 0.00 O flip ATOM 1336 ND2 ASN A 84 5.238 -14.253 -23.839 1.00 0.00 N flip ATOM 0 H ASN A 84 5.676 -11.307 -23.611 1.00 0.00 H new ATOM 0 HA ASN A 84 7.314 -11.063 -26.073 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.200 -13.488 -26.078 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.398 -13.048 -24.393 1.00 0.00 H new ATOM 0 HD21 ASN A 84 5.989 -14.262 -23.149 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.354 -14.720 -23.636 1.00 0.00 H new ATOM 1343 N GLY A 85 4.089 -11.264 -26.014 1.00 0.00 N ATOM 1344 CA GLY A 85 2.871 -11.180 -26.881 1.00 0.00 C ATOM 1345 C GLY A 85 1.790 -12.132 -26.365 1.00 0.00 C ATOM 1346 O GLY A 85 0.684 -12.152 -26.869 1.00 0.00 O ATOM 0 H GLY A 85 3.917 -11.176 -25.012 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.492 -10.158 -26.890 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.129 -11.434 -27.909 1.00 0.00 H new ATOM 1350 N GLU A 86 2.136 -12.901 -25.363 1.00 0.00 N ATOM 1351 CA GLU A 86 1.150 -13.860 -24.794 1.00 0.00 C ATOM 1352 C GLU A 86 0.517 -13.289 -23.528 1.00 0.00 C ATOM 1353 O GLU A 86 1.207 -12.904 -22.607 1.00 0.00 O ATOM 1354 CB GLU A 86 1.890 -15.157 -24.432 1.00 0.00 C ATOM 1355 CG GLU A 86 2.248 -15.904 -25.718 1.00 0.00 C ATOM 1356 CD GLU A 86 3.329 -16.944 -25.417 1.00 0.00 C ATOM 1357 OE1 GLU A 86 2.957 -17.966 -24.862 1.00 0.00 O ATOM 1358 OE2 GLU A 86 4.466 -16.659 -25.757 1.00 0.00 O ATOM 0 H GLU A 86 3.054 -12.904 -24.919 1.00 0.00 H new ATOM 0 HA GLU A 86 0.366 -14.047 -25.528 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.793 -14.929 -23.866 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.264 -15.782 -23.796 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.363 -16.391 -26.127 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.603 -15.202 -26.473 1.00 0.00 H new ATOM 1365 N ALA A 87 -0.783 -13.238 -23.510 1.00 0.00 N ATOM 1366 CA ALA A 87 -1.476 -12.694 -22.313 1.00 0.00 C ATOM 1367 C ALA A 87 -1.367 -13.639 -21.118 1.00 0.00 C ATOM 1368 O ALA A 87 -1.546 -14.834 -21.249 1.00 0.00 O ATOM 1369 CB ALA A 87 -2.961 -12.512 -22.656 1.00 0.00 C ATOM 0 H ALA A 87 -1.393 -13.547 -24.267 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.006 -11.748 -22.044 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.488 -12.113 -21.789 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.059 -11.819 -23.491 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.392 -13.475 -22.931 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.076 -13.076 -19.969 1.00 0.00 N ATOM 1376 CA VAL A 88 -0.949 -13.907 -18.744 1.00 0.00 C ATOM 1377 C VAL A 88 -1.622 -13.192 -17.594 1.00 0.00 C ATOM 1378 O VAL A 88 -1.215 -13.304 -16.454 1.00 0.00 O ATOM 1379 CB VAL A 88 0.545 -14.091 -18.411 1.00 0.00 C ATOM 1380 CG1 VAL A 88 1.323 -14.343 -19.698 1.00 0.00 C ATOM 1381 CG2 VAL A 88 1.081 -12.820 -17.749 1.00 0.00 C ATOM 0 H VAL A 88 -0.922 -12.077 -19.833 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.416 -14.879 -18.906 1.00 0.00 H new ATOM 0 HB VAL A 88 0.662 -14.937 -17.734 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.380 -14.473 -19.465 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.944 -15.243 -20.182 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.202 -13.493 -20.369 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.137 -12.950 -17.514 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.962 -11.977 -18.430 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.526 -12.626 -16.831 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.652 -12.464 -17.920 1.00 0.00 N ATOM 1392 CA GLU A 89 -3.380 -11.722 -16.873 1.00 0.00 C ATOM 1393 C GLU A 89 -4.317 -12.609 -16.093 1.00 0.00 C ATOM 1394 O GLU A 89 -4.707 -13.673 -16.533 1.00 0.00 O ATOM 1395 CB GLU A 89 -4.218 -10.610 -17.536 1.00 0.00 C ATOM 1396 CG GLU A 89 -5.001 -11.189 -18.720 1.00 0.00 C ATOM 1397 CD GLU A 89 -5.681 -10.047 -19.475 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -5.092 -8.978 -19.485 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -6.751 -10.305 -19.998 1.00 0.00 O ATOM 0 H GLU A 89 -3.016 -12.355 -18.867 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.639 -11.313 -16.186 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.906 -10.178 -16.809 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.567 -9.805 -17.877 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.330 -11.733 -19.385 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.746 -11.902 -18.366 1.00 0.00 H new ATOM 1406 N ASP A 90 -4.658 -12.138 -14.938 1.00 0.00 N ATOM 1407 CA ASP A 90 -5.566 -12.886 -14.064 1.00 0.00 C ATOM 1408 C ASP A 90 -6.176 -11.916 -13.057 1.00 0.00 C ATOM 1409 O ASP A 90 -5.535 -10.966 -12.653 1.00 0.00 O ATOM 1410 CB ASP A 90 -4.754 -13.951 -13.308 1.00 0.00 C ATOM 1411 CG ASP A 90 -4.464 -15.129 -14.240 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -5.433 -15.672 -14.745 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -3.289 -15.419 -14.395 1.00 0.00 O ATOM 0 H ASP A 90 -4.336 -11.247 -14.560 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.353 -13.363 -14.648 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.820 -13.522 -12.946 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.308 -14.293 -12.434 1.00 0.00 H new ATOM 1418 N PRO A 91 -7.395 -12.163 -12.662 1.00 0.00 N ATOM 1419 CA PRO A 91 -8.056 -11.293 -11.706 1.00 0.00 C ATOM 1420 C PRO A 91 -7.201 -11.117 -10.445 1.00 0.00 C ATOM 1421 O PRO A 91 -7.307 -11.882 -9.505 1.00 0.00 O ATOM 1422 CB PRO A 91 -9.391 -12.011 -11.374 1.00 0.00 C ATOM 1423 CG PRO A 91 -9.434 -13.318 -12.227 1.00 0.00 C ATOM 1424 CD PRO A 91 -8.171 -13.329 -13.103 1.00 0.00 C ATOM 0 HA PRO A 91 -8.217 -10.292 -12.105 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.449 -12.243 -10.311 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.241 -11.370 -11.608 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.464 -14.197 -11.583 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.331 -13.345 -12.845 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.607 -14.252 -12.971 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.423 -13.258 -14.161 1.00 0.00 H new ATOM 1432 N MET A 92 -6.356 -10.105 -10.463 1.00 0.00 N ATOM 1433 CA MET A 92 -5.480 -9.850 -9.283 1.00 0.00 C ATOM 1434 C MET A 92 -5.949 -8.621 -8.514 1.00 0.00 C ATOM 1435 O MET A 92 -6.122 -7.560 -9.085 1.00 0.00 O ATOM 1436 CB MET A 92 -4.053 -9.601 -9.792 1.00 0.00 C ATOM 1437 CG MET A 92 -3.397 -10.943 -10.123 1.00 0.00 C ATOM 1438 SD MET A 92 -1.600 -10.960 -10.332 1.00 0.00 S ATOM 1439 CE MET A 92 -1.570 -10.474 -12.075 1.00 0.00 C ATOM 0 H MET A 92 -6.241 -9.454 -11.240 1.00 0.00 H new ATOM 0 HA MET A 92 -5.517 -10.711 -8.616 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.075 -8.965 -10.677 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.471 -9.074 -9.036 1.00 0.00 H new ATOM 0 HG2 MET A 92 -3.651 -11.647 -9.330 1.00 0.00 H new ATOM 0 HG3 MET A 92 -3.847 -11.321 -11.041 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.269 -11.326 -12.685 1.00 0.00 H new ATOM 0 HE2 MET A 92 -2.564 -10.144 -12.378 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.859 -9.659 -12.213 1.00 0.00 H new ATOM 1449 N GLU A 93 -6.140 -8.787 -7.226 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.598 -7.640 -6.395 1.00 0.00 C ATOM 1451 C GLU A 93 -5.440 -7.039 -5.602 1.00 0.00 C ATOM 1452 O GLU A 93 -4.874 -7.679 -4.737 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.656 -8.151 -5.407 1.00 0.00 C ATOM 1454 CG GLU A 93 -7.415 -9.636 -5.128 1.00 0.00 C ATOM 1455 CD GLU A 93 -8.397 -10.115 -4.056 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -8.097 -9.867 -2.899 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -9.390 -10.701 -4.453 1.00 0.00 O ATOM 0 H GLU A 93 -5.998 -9.662 -6.722 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.007 -6.871 -7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.607 -7.582 -4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.655 -8.004 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.545 -10.215 -6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.389 -9.793 -4.794 1.00 0.00 H new ATOM 1464 N ILE A 94 -5.112 -5.816 -5.917 1.00 0.00 N ATOM 1465 CA ILE A 94 -4.000 -5.145 -5.201 1.00 0.00 C ATOM 1466 C ILE A 94 -4.522 -4.318 -4.029 1.00 0.00 C ATOM 1467 O ILE A 94 -5.360 -3.447 -4.204 1.00 0.00 O ATOM 1468 CB ILE A 94 -3.295 -4.210 -6.191 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -2.268 -4.991 -6.995 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.564 -3.108 -5.401 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.843 -4.160 -8.210 1.00 0.00 C ATOM 0 H ILE A 94 -5.567 -5.256 -6.638 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.317 -5.900 -4.811 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.033 -3.774 -6.864 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.401 -5.221 -6.375 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.689 -5.943 -7.319 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.059 -2.437 -6.095 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.286 -2.543 -4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.829 -3.563 -4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.106 -4.715 -8.791 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.714 -3.953 -8.832 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.406 -3.220 -7.873 1.00 0.00 H new ATOM 1483 N VAL A 95 -4.014 -4.602 -2.853 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.460 -3.848 -1.653 1.00 0.00 C ATOM 1485 C VAL A 95 -3.447 -2.770 -1.298 1.00 0.00 C ATOM 1486 O VAL A 95 -2.286 -3.062 -1.071 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.570 -4.829 -0.473 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -5.671 -4.352 0.478 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -4.932 -6.216 -1.004 1.00 0.00 C ATOM 0 H VAL A 95 -3.313 -5.322 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.422 -3.379 -1.860 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.619 -4.874 0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.753 -5.044 1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.424 -3.358 0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.621 -4.314 -0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.011 -6.915 -0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.886 -6.167 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.157 -6.556 -1.691 1.00 0.00 H new ATOM 1499 N ILE A 96 -3.905 -1.542 -1.255 1.00 0.00 N ATOM 1500 CA ILE A 96 -2.990 -0.415 -0.918 1.00 0.00 C ATOM 1501 C ILE A 96 -3.407 0.266 0.375 1.00 0.00 C ATOM 1502 O ILE A 96 -4.442 0.892 0.441 1.00 0.00 O ATOM 1503 CB ILE A 96 -3.064 0.609 -2.050 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.400 0.044 -3.296 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -2.301 1.877 -1.620 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -3.111 0.594 -4.531 1.00 0.00 C ATOM 0 H ILE A 96 -4.872 -1.275 -1.439 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.980 -0.805 -0.793 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.107 0.842 -2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.345 0.316 -3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.448 -1.045 -3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.346 2.617 -2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.757 2.288 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.260 1.624 -1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.641 0.194 -5.430 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.160 0.299 -4.508 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.040 1.682 -4.538 1.00 0.00 H new ATOM 1518 N THR A 97 -2.591 0.132 1.384 1.00 0.00 N ATOM 1519 CA THR A 97 -2.923 0.767 2.680 1.00 0.00 C ATOM 1520 C THR A 97 -2.276 2.143 2.769 1.00 0.00 C ATOM 1521 O THR A 97 -1.233 2.379 2.187 1.00 0.00 O ATOM 1522 CB THR A 97 -2.387 -0.123 3.814 1.00 0.00 C ATOM 1523 OG1 THR A 97 -3.239 0.124 4.914 1.00 0.00 O ATOM 1524 CG2 THR A 97 -0.999 0.345 4.288 1.00 0.00 C ATOM 0 H THR A 97 -1.714 -0.388 1.363 1.00 0.00 H new ATOM 0 HA THR A 97 -4.004 0.880 2.766 1.00 0.00 H new ATOM 0 HB THR A 97 -2.338 -1.157 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.952 -0.418 5.678 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.650 -0.306 5.090 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.297 0.303 3.455 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.066 1.369 4.655 1.00 0.00 H new ATOM 1532 N VAL A 98 -2.899 3.030 3.492 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.318 4.388 3.617 1.00 0.00 C ATOM 1534 C VAL A 98 -1.356 4.452 4.793 1.00 0.00 C ATOM 1535 O VAL A 98 -1.517 3.743 5.767 1.00 0.00 O ATOM 1536 CB VAL A 98 -3.459 5.389 3.853 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -2.881 6.804 3.888 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.468 5.286 2.706 1.00 0.00 C ATOM 0 H VAL A 98 -3.773 2.874 3.994 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.774 4.629 2.704 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.955 5.167 4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.685 7.521 4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.153 6.880 4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.393 7.021 2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.279 5.995 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.971 5.515 1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.873 4.275 2.667 1.00 0.00 H new ATOM 1548 N THR A 99 -0.365 5.305 4.677 1.00 0.00 N ATOM 1549 CA THR A 99 0.630 5.436 5.778 1.00 0.00 C ATOM 1550 C THR A 99 0.941 6.899 6.063 1.00 0.00 C ATOM 1551 O THR A 99 0.893 7.731 5.180 1.00 0.00 O ATOM 1552 CB THR A 99 1.922 4.742 5.337 1.00 0.00 C ATOM 1553 OG1 THR A 99 1.514 3.502 4.795 1.00 0.00 O ATOM 1554 CG2 THR A 99 2.784 4.371 6.551 1.00 0.00 C ATOM 0 H THR A 99 -0.207 5.910 3.871 1.00 0.00 H new ATOM 0 HA THR A 99 0.221 4.984 6.682 1.00 0.00 H new ATOM 0 HB THR A 99 2.478 5.390 4.660 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.120 3.247 4.068 1.00 0.00 H new ATOM 0 HG21 THR A 99 3.696 3.879 6.213 1.00 0.00 H new ATOM 0 HG22 THR A 99 3.042 5.274 7.104 1.00 0.00 H new ATOM 0 HG23 THR A 99 2.227 3.695 7.200 1.00 0.00 H new