USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=26 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 33 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.41) USER MOD Set 1.2: A 83 SER OG : rot -100:sc= -1.14 USER MOD Set 2.1: A 82 SER OG : rot -54:sc= -2.43! USER MOD Set 2.2: A 84 ASN :FLIP amide:sc= -11.1! C(o=-31!,f=-14!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -100:sc= -2.66! USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= 1.21 (180deg=0.47) USER MOD Single : A 20 ASN : amide:sc= -0.835! C(o=-0.83!,f=-5.7!) USER MOD Single : A 23 GLN : amide:sc= 0.812 K(o=0.81,f=-0.38) USER MOD Single : A 25 LYS NZ :NH3+ -155:sc= -0.22 (180deg=-1.34!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.13! USER MOD Single : A 27 ASN :FLIP amide:sc= -3.01 F(o=-4.8!,f=-3) USER MOD Single : A 30 LYS NZ :NH3+ -141:sc= -2.24! (180deg=-4.65!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 20:sc= -6.99! 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= 0.799 K(o=0.8,f=-3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -160:sc= -0.488 USER MOD Single : A 61 LYS NZ :NH3+ 157:sc= -1.09 (180deg=-2.12) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 154:sc= -0.212 (180deg=-0.984) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 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= -5.27! C(o=-5.3!,f=-8.7!) 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 180:sc= -0.31 USER MOD ----------------------------------------------------------------- ATOM 13 N TRP A 2 8.042 -12.582 -6.834 1.00 0.00 N ATOM 14 CA TRP A 2 7.027 -11.532 -6.569 1.00 0.00 C ATOM 15 C TRP A 2 5.849 -12.096 -5.778 1.00 0.00 C ATOM 16 O TRP A 2 4.976 -12.731 -6.333 1.00 0.00 O ATOM 17 CB TRP A 2 6.495 -11.033 -7.935 1.00 0.00 C ATOM 18 CG TRP A 2 7.425 -9.956 -8.532 1.00 0.00 C ATOM 19 CD1 TRP A 2 8.494 -9.445 -7.927 1.00 0.00 C ATOM 20 CD2 TRP A 2 7.218 -9.373 -9.691 1.00 0.00 C ATOM 21 NE1 TRP A 2 8.919 -8.496 -8.790 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.157 -8.390 -9.939 1.00 0.00 C ATOM 23 CE3 TRP A 2 6.246 -9.645 -10.638 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.112 -7.677 -11.124 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.214 -8.935 -11.820 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.148 -7.953 -12.060 1.00 0.00 C ATOM 0 HA TRP A 2 7.486 -10.729 -5.992 1.00 0.00 H new ATOM 0 HB2 TRP A 2 6.414 -11.872 -8.626 1.00 0.00 H new ATOM 0 HB3 TRP A 2 5.492 -10.624 -7.811 1.00 0.00 H new ATOM 0 HD1 TRP A 2 8.920 -9.722 -6.974 1.00 0.00 H new ATOM 0 HE1 TRP A 2 9.733 -7.908 -8.609 1.00 0.00 H new ATOM 0 HE3 TRP A 2 5.511 -10.414 -10.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 8.838 -6.900 -11.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 5.455 -9.150 -12.558 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.122 -7.399 -12.987 1.00 0.00 H new ATOM 37 N VAL A 3 5.844 -11.856 -4.485 1.00 0.00 N ATOM 38 CA VAL A 3 4.723 -12.377 -3.660 1.00 0.00 C ATOM 39 C VAL A 3 4.463 -11.478 -2.449 1.00 0.00 C ATOM 40 O VAL A 3 4.984 -11.709 -1.377 1.00 0.00 O ATOM 41 CB VAL A 3 5.106 -13.780 -3.155 1.00 0.00 C ATOM 42 CG1 VAL A 3 3.923 -14.381 -2.393 1.00 0.00 C ATOM 43 CG2 VAL A 3 5.441 -14.677 -4.350 1.00 0.00 C ATOM 0 H VAL A 3 6.558 -11.331 -3.980 1.00 0.00 H new ATOM 0 HA VAL A 3 3.821 -12.406 -4.271 1.00 0.00 H new ATOM 0 HB VAL A 3 5.972 -13.708 -2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.189 -15.375 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.674 -13.743 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.062 -14.454 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.712 -15.671 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.572 -14.751 -5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.277 -14.249 -4.903 1.00 0.00 H new ATOM 53 N ILE A 4 3.655 -10.469 -2.652 1.00 0.00 N ATOM 54 CA ILE A 4 3.338 -9.543 -1.539 1.00 0.00 C ATOM 55 C ILE A 4 2.072 -8.719 -1.863 1.00 0.00 C ATOM 56 O ILE A 4 2.153 -7.639 -2.410 1.00 0.00 O ATOM 57 CB ILE A 4 4.530 -8.602 -1.373 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.274 -7.636 -0.225 1.00 0.00 C ATOM 59 CG2 ILE A 4 4.716 -7.797 -2.673 1.00 0.00 C ATOM 60 CD1 ILE A 4 4.418 -8.388 1.101 1.00 0.00 C ATOM 0 H ILE A 4 3.205 -10.252 -3.541 1.00 0.00 H new ATOM 0 HA ILE A 4 3.151 -10.106 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 4 5.424 -9.187 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.980 -6.807 -0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.275 -7.208 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.565 -7.122 -2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.900 -8.481 -3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.815 -7.217 -2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.236 -7.703 1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.694 -9.202 1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.426 -8.795 1.181 1.00 0.00 H new ATOM 72 N PRO A 5 0.918 -9.254 -1.512 1.00 0.00 N ATOM 73 CA PRO A 5 -0.353 -8.567 -1.770 1.00 0.00 C ATOM 74 C PRO A 5 -0.478 -7.193 -1.073 1.00 0.00 C ATOM 75 O PRO A 5 -0.953 -6.244 -1.662 1.00 0.00 O ATOM 76 CB PRO A 5 -1.438 -9.527 -1.237 1.00 0.00 C ATOM 77 CG PRO A 5 -0.719 -10.835 -0.778 1.00 0.00 C ATOM 78 CD PRO A 5 0.797 -10.589 -0.894 1.00 0.00 C ATOM 0 HA PRO A 5 -0.443 -8.347 -2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.977 -9.073 -0.405 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.173 -9.745 -2.012 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.991 -11.083 0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.020 -11.678 -1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.278 -10.617 0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.276 -11.353 -1.507 1.00 0.00 H new ATOM 86 N PRO A 6 -0.055 -7.116 0.169 1.00 0.00 N ATOM 87 CA PRO A 6 -0.130 -5.865 0.925 1.00 0.00 C ATOM 88 C PRO A 6 0.864 -4.817 0.417 1.00 0.00 C ATOM 89 O PRO A 6 2.003 -5.121 0.125 1.00 0.00 O ATOM 90 CB PRO A 6 0.230 -6.258 2.367 1.00 0.00 C ATOM 91 CG PRO A 6 0.630 -7.766 2.351 1.00 0.00 C ATOM 92 CD PRO A 6 0.505 -8.252 0.897 1.00 0.00 C ATOM 0 HA PRO A 6 -1.118 -5.415 0.830 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.052 -5.646 2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.617 -6.092 3.033 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.649 -7.898 2.715 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.020 -8.344 3.008 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.475 -8.542 0.492 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.144 -9.125 0.826 1.00 0.00 H new ATOM 100 N ILE A 7 0.400 -3.596 0.329 1.00 0.00 N ATOM 101 CA ILE A 7 1.275 -2.488 -0.153 1.00 0.00 C ATOM 102 C ILE A 7 0.965 -1.212 0.626 1.00 0.00 C ATOM 103 O ILE A 7 0.030 -1.185 1.396 1.00 0.00 O ATOM 104 CB ILE A 7 0.992 -2.242 -1.641 1.00 0.00 C ATOM 105 CG1 ILE A 7 1.384 -3.470 -2.471 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.830 -1.031 -2.110 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.900 -3.487 -2.696 1.00 0.00 C ATOM 0 H ILE A 7 -0.551 -3.319 0.572 1.00 0.00 H new ATOM 0 HA ILE A 7 2.320 -2.760 -0.007 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.072 -2.049 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.074 -4.380 -1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.866 -3.452 -3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.639 -0.844 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.553 -0.151 -1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.889 -1.243 -1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.170 -4.362 -3.286 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.199 -2.584 -3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.410 -3.527 -1.734 1.00 0.00 H new ATOM 119 N SER A 8 1.766 -0.183 0.431 1.00 0.00 N ATOM 120 CA SER A 8 1.508 1.096 1.170 1.00 0.00 C ATOM 121 C SER A 8 1.651 2.318 0.264 1.00 0.00 C ATOM 122 O SER A 8 2.442 2.325 -0.658 1.00 0.00 O ATOM 123 CB SER A 8 2.534 1.208 2.308 1.00 0.00 C ATOM 124 OG SER A 8 3.436 0.138 2.071 1.00 0.00 O ATOM 0 H SER A 8 2.571 -0.175 -0.196 1.00 0.00 H new ATOM 0 HA SER A 8 0.486 1.074 1.548 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.045 2.171 2.290 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.057 1.118 3.284 1.00 0.00 H new ATOM 0 HG SER A 8 4.132 0.138 2.760 1.00 0.00 H new ATOM 130 N CYS A 9 0.868 3.334 0.557 1.00 0.00 N ATOM 131 CA CYS A 9 0.922 4.581 -0.259 1.00 0.00 C ATOM 132 C CYS A 9 0.830 5.830 0.658 1.00 0.00 C ATOM 133 O CYS A 9 -0.077 5.936 1.459 1.00 0.00 O ATOM 134 CB CYS A 9 -0.288 4.581 -1.201 1.00 0.00 C ATOM 135 SG CYS A 9 -0.021 4.031 -2.905 1.00 0.00 S ATOM 0 H CYS A 9 0.197 3.348 1.325 1.00 0.00 H new ATOM 0 HA CYS A 9 1.860 4.614 -0.814 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.058 3.948 -0.760 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.689 5.594 -1.233 1.00 0.00 H new ATOM 0 HG CYS A 9 0.089 5.067 -3.683 1.00 0.00 H new ATOM 141 N PRO A 10 1.779 6.756 0.522 1.00 0.00 N ATOM 142 CA PRO A 10 1.784 7.976 1.342 1.00 0.00 C ATOM 143 C PRO A 10 0.577 8.874 1.101 1.00 0.00 C ATOM 144 O PRO A 10 0.024 8.937 0.011 1.00 0.00 O ATOM 145 CB PRO A 10 3.067 8.729 0.930 1.00 0.00 C ATOM 146 CG PRO A 10 3.740 7.913 -0.214 1.00 0.00 C ATOM 147 CD PRO A 10 2.906 6.637 -0.418 1.00 0.00 C ATOM 0 HA PRO A 10 1.746 7.710 2.398 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.828 9.738 0.593 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.743 8.829 1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.778 8.498 -1.133 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.768 7.662 0.046 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.554 6.557 -1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.497 5.744 -0.213 1.00 0.00 H new ATOM 155 N GLU A 11 0.202 9.554 2.147 1.00 0.00 N ATOM 156 CA GLU A 11 -0.943 10.463 2.076 1.00 0.00 C ATOM 157 C GLU A 11 -0.457 11.905 2.013 1.00 0.00 C ATOM 158 O GLU A 11 0.569 12.236 2.574 1.00 0.00 O ATOM 159 CB GLU A 11 -1.765 10.272 3.351 1.00 0.00 C ATOM 160 CG GLU A 11 -3.150 10.824 3.121 1.00 0.00 C ATOM 161 CD GLU A 11 -3.846 11.035 4.467 1.00 0.00 C ATOM 162 OE1 GLU A 11 -3.310 10.529 5.441 1.00 0.00 O ATOM 163 OE2 GLU A 11 -4.875 11.690 4.448 1.00 0.00 O ATOM 0 H GLU A 11 0.657 9.508 3.059 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.538 10.251 1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.818 9.215 3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.289 10.783 4.188 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.091 11.767 2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.729 10.137 2.504 1.00 0.00 H new ATOM 170 N ASN A 12 -1.192 12.741 1.335 1.00 0.00 N ATOM 171 CA ASN A 12 -0.765 14.160 1.242 1.00 0.00 C ATOM 172 C ASN A 12 0.697 14.248 0.814 1.00 0.00 C ATOM 173 O ASN A 12 1.387 15.195 1.135 1.00 0.00 O ATOM 174 CB ASN A 12 -0.918 14.804 2.630 1.00 0.00 C ATOM 175 CG ASN A 12 -2.382 15.182 2.855 1.00 0.00 C ATOM 176 OD1 ASN A 12 -2.835 16.227 2.434 1.00 0.00 O ATOM 177 ND2 ASN A 12 -3.153 14.363 3.515 1.00 0.00 N ATOM 0 H ASN A 12 -2.057 12.506 0.848 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.380 14.676 0.505 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.587 14.111 3.403 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.287 15.689 2.704 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.132 14.601 3.675 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.777 13.484 3.871 1.00 0.00 H new ATOM 184 N GLU A 13 1.140 13.250 0.093 1.00 0.00 N ATOM 185 CA GLU A 13 2.553 13.245 -0.372 1.00 0.00 C ATOM 186 C GLU A 13 2.989 14.631 -0.840 1.00 0.00 C ATOM 187 O GLU A 13 2.202 15.383 -1.382 1.00 0.00 O ATOM 188 CB GLU A 13 2.663 12.270 -1.554 1.00 0.00 C ATOM 189 CG GLU A 13 4.134 12.137 -1.959 1.00 0.00 C ATOM 190 CD GLU A 13 4.823 11.119 -1.046 1.00 0.00 C ATOM 191 OE1 GLU A 13 4.792 11.356 0.151 1.00 0.00 O ATOM 192 OE2 GLU A 13 5.343 10.163 -1.597 1.00 0.00 O ATOM 0 H GLU A 13 0.585 12.443 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 13 3.196 12.945 0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.260 11.296 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.072 12.632 -2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.209 11.819 -2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.632 13.104 -1.885 1.00 0.00 H new ATOM 199 N LYS A 14 4.242 14.940 -0.622 1.00 0.00 N ATOM 200 CA LYS A 14 4.758 16.269 -1.044 1.00 0.00 C ATOM 201 C LYS A 14 5.435 16.187 -2.409 1.00 0.00 C ATOM 202 O LYS A 14 5.638 15.113 -2.942 1.00 0.00 O ATOM 203 CB LYS A 14 5.786 16.756 0.004 1.00 0.00 C ATOM 204 CG LYS A 14 7.129 16.045 -0.209 1.00 0.00 C ATOM 205 CD LYS A 14 6.931 14.535 -0.083 1.00 0.00 C ATOM 206 CE LYS A 14 8.297 13.855 -0.085 1.00 0.00 C ATOM 207 NZ LYS A 14 8.799 13.709 -1.480 1.00 0.00 N ATOM 0 H LYS A 14 4.924 14.330 -0.172 1.00 0.00 H new ATOM 0 HA LYS A 14 3.922 16.964 -1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.919 17.835 -0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.415 16.557 1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.530 16.289 -1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.856 16.390 0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.395 14.301 0.837 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.324 14.164 -0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.003 14.441 0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.224 12.875 0.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.730 13.245 -1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.132 13.132 -2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.887 14.648 -1.917 1.00 0.00 H new ATOM 221 N GLY A 15 5.761 17.332 -2.955 1.00 0.00 N ATOM 222 CA GLY A 15 6.429 17.353 -4.292 1.00 0.00 C ATOM 223 C GLY A 15 5.442 17.778 -5.381 1.00 0.00 C ATOM 224 O GLY A 15 4.504 18.506 -5.119 1.00 0.00 O ATOM 0 H GLY A 15 5.595 18.247 -2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.274 18.041 -4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.828 16.365 -4.521 1.00 0.00 H new ATOM 228 N GLU A 16 5.679 17.305 -6.585 1.00 0.00 N ATOM 229 CA GLU A 16 4.775 17.660 -7.719 1.00 0.00 C ATOM 230 C GLU A 16 4.238 16.405 -8.402 1.00 0.00 C ATOM 231 O GLU A 16 4.906 15.391 -8.462 1.00 0.00 O ATOM 232 CB GLU A 16 5.589 18.471 -8.743 1.00 0.00 C ATOM 233 CG GLU A 16 4.785 19.703 -9.167 1.00 0.00 C ATOM 234 CD GLU A 16 5.696 20.664 -9.937 1.00 0.00 C ATOM 235 OE1 GLU A 16 6.839 20.771 -9.526 1.00 0.00 O ATOM 236 OE2 GLU A 16 5.196 21.234 -10.893 1.00 0.00 O ATOM 0 H GLU A 16 6.457 16.691 -6.826 1.00 0.00 H new ATOM 0 HA GLU A 16 3.931 18.235 -7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.541 18.776 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.818 17.855 -9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.943 19.404 -9.791 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.371 20.201 -8.290 1.00 0.00 H new ATOM 243 N PHE A 17 3.035 16.506 -8.911 1.00 0.00 N ATOM 244 CA PHE A 17 2.415 15.342 -9.598 1.00 0.00 C ATOM 245 C PHE A 17 2.463 15.526 -11.120 1.00 0.00 C ATOM 246 O PHE A 17 2.472 16.639 -11.607 1.00 0.00 O ATOM 247 CB PHE A 17 0.953 15.269 -9.136 1.00 0.00 C ATOM 248 CG PHE A 17 0.944 15.051 -7.625 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.053 16.126 -6.761 1.00 0.00 C ATOM 250 CD2 PHE A 17 0.873 13.772 -7.100 1.00 0.00 C ATOM 251 CE1 PHE A 17 1.095 15.925 -5.397 1.00 0.00 C ATOM 252 CE2 PHE A 17 0.916 13.575 -5.736 1.00 0.00 C ATOM 253 CZ PHE A 17 1.027 14.651 -4.887 1.00 0.00 C ATOM 0 H PHE A 17 2.459 17.347 -8.878 1.00 0.00 H new ATOM 0 HA PHE A 17 2.954 14.427 -9.353 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.427 16.189 -9.391 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.434 14.454 -9.641 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.106 17.129 -7.157 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.783 12.924 -7.763 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.181 16.770 -4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.862 12.574 -5.334 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.061 14.495 -3.819 1.00 0.00 H new ATOM 263 N PRO A 18 2.492 14.419 -11.857 1.00 0.00 N ATOM 264 CA PRO A 18 2.479 13.053 -11.294 1.00 0.00 C ATOM 265 C PRO A 18 3.794 12.697 -10.609 1.00 0.00 C ATOM 266 O PRO A 18 4.835 13.224 -10.951 1.00 0.00 O ATOM 267 CB PRO A 18 2.288 12.132 -12.518 1.00 0.00 C ATOM 268 CG PRO A 18 2.347 13.032 -13.792 1.00 0.00 C ATOM 269 CD PRO A 18 2.505 14.486 -13.319 1.00 0.00 C ATOM 0 HA PRO A 18 1.700 12.955 -10.538 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.066 11.370 -12.550 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.333 11.610 -12.460 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.183 12.742 -14.429 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.440 12.918 -14.385 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.436 14.920 -13.685 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.694 15.111 -13.692 1.00 0.00 H new ATOM 277 N LYS A 19 3.716 11.804 -9.646 1.00 0.00 N ATOM 278 CA LYS A 19 4.952 11.396 -8.920 1.00 0.00 C ATOM 279 C LYS A 19 5.004 9.887 -8.713 1.00 0.00 C ATOM 280 O LYS A 19 3.997 9.256 -8.457 1.00 0.00 O ATOM 281 CB LYS A 19 4.945 12.077 -7.543 1.00 0.00 C ATOM 282 CG LYS A 19 6.271 11.793 -6.836 1.00 0.00 C ATOM 283 CD LYS A 19 5.990 11.361 -5.395 1.00 0.00 C ATOM 284 CE LYS A 19 7.319 11.188 -4.654 1.00 0.00 C ATOM 285 NZ LYS A 19 8.223 10.274 -5.408 1.00 0.00 N ATOM 0 H LYS A 19 2.857 11.348 -9.338 1.00 0.00 H new ATOM 0 HA LYS A 19 5.819 11.692 -9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.802 13.152 -7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.113 11.706 -6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.818 11.011 -7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.900 12.683 -6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.374 12.107 -4.893 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.430 10.426 -5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.799 12.158 -4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.137 10.787 -3.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.941 9.886 -4.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.667 9.495 -5.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.692 10.802 -6.171 1.00 0.00 H new ATOM 299 N ASN A 20 6.185 9.336 -8.831 1.00 0.00 N ATOM 300 CA ASN A 20 6.330 7.871 -8.645 1.00 0.00 C ATOM 301 C ASN A 20 6.230 7.512 -7.167 1.00 0.00 C ATOM 302 O ASN A 20 6.456 8.350 -6.316 1.00 0.00 O ATOM 303 CB ASN A 20 7.713 7.453 -9.162 1.00 0.00 C ATOM 304 CG ASN A 20 7.993 8.155 -10.493 1.00 0.00 C ATOM 305 OD1 ASN A 20 7.947 9.366 -10.591 1.00 0.00 O ATOM 306 ND2 ASN A 20 8.286 7.434 -11.543 1.00 0.00 N ATOM 0 H ASN A 20 7.047 9.838 -9.047 1.00 0.00 H new ATOM 0 HA ASN A 20 5.538 7.357 -9.189 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.480 7.714 -8.433 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.753 6.372 -9.293 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.474 7.888 -12.437 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.327 6.418 -11.469 1.00 0.00 H new ATOM 313 N LEU A 21 5.889 6.271 -6.885 1.00 0.00 N ATOM 314 CA LEU A 21 5.771 5.849 -5.457 1.00 0.00 C ATOM 315 C LEU A 21 6.483 4.526 -5.203 1.00 0.00 C ATOM 316 O LEU A 21 7.469 4.479 -4.493 1.00 0.00 O ATOM 317 CB LEU A 21 4.278 5.673 -5.123 1.00 0.00 C ATOM 318 CG LEU A 21 3.621 7.050 -4.956 1.00 0.00 C ATOM 319 CD1 LEU A 21 2.170 6.859 -4.513 1.00 0.00 C ATOM 320 CD2 LEU A 21 4.364 7.847 -3.883 1.00 0.00 C ATOM 0 H LEU A 21 5.691 5.546 -7.575 1.00 0.00 H new ATOM 0 HA LEU A 21 6.233 6.613 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.781 5.116 -5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.166 5.092 -4.207 1.00 0.00 H new ATOM 0 HG LEU A 21 3.659 7.588 -5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.695 7.833 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.632 6.284 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.147 6.324 -3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.896 8.824 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.322 7.309 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.404 7.976 -4.181 1.00 0.00 H new ATOM 332 N VAL A 22 5.977 3.473 -5.782 1.00 0.00 N ATOM 333 CA VAL A 22 6.624 2.151 -5.573 1.00 0.00 C ATOM 334 C VAL A 22 6.419 1.243 -6.777 1.00 0.00 C ATOM 335 O VAL A 22 5.529 1.458 -7.572 1.00 0.00 O ATOM 336 CB VAL A 22 5.979 1.492 -4.346 1.00 0.00 C ATOM 337 CG1 VAL A 22 4.500 1.230 -4.637 1.00 0.00 C ATOM 338 CG2 VAL A 22 6.680 0.162 -4.061 1.00 0.00 C ATOM 0 H VAL A 22 5.153 3.471 -6.384 1.00 0.00 H new ATOM 0 HA VAL A 22 7.694 2.299 -5.430 1.00 0.00 H new ATOM 0 HB VAL A 22 6.074 2.149 -3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.036 0.762 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.999 2.174 -4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.410 0.568 -5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.225 -0.310 -3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.578 -0.495 -4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.737 0.342 -3.865 1.00 0.00 H new ATOM 348 N GLN A 23 7.251 0.236 -6.889 1.00 0.00 N ATOM 349 CA GLN A 23 7.113 -0.694 -8.038 1.00 0.00 C ATOM 350 C GLN A 23 6.028 -1.729 -7.772 1.00 0.00 C ATOM 351 O GLN A 23 5.582 -1.890 -6.653 1.00 0.00 O ATOM 352 CB GLN A 23 8.454 -1.417 -8.251 1.00 0.00 C ATOM 353 CG GLN A 23 8.925 -1.169 -9.687 1.00 0.00 C ATOM 354 CD GLN A 23 10.007 -2.185 -10.053 1.00 0.00 C ATOM 355 OE1 GLN A 23 10.788 -2.605 -9.219 1.00 0.00 O ATOM 356 NE2 GLN A 23 10.091 -2.606 -11.288 1.00 0.00 N ATOM 0 H GLN A 23 8.009 0.024 -6.240 1.00 0.00 H new ATOM 0 HA GLN A 23 6.837 -0.122 -8.924 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.197 -1.052 -7.542 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.339 -2.486 -8.071 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.085 -1.253 -10.376 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.316 -0.156 -9.783 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.439 -2.258 -11.991 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.808 -3.283 -11.548 1.00 0.00 H new ATOM 365 N ILE A 24 5.625 -2.411 -8.815 1.00 0.00 N ATOM 366 CA ILE A 24 4.566 -3.447 -8.663 1.00 0.00 C ATOM 367 C ILE A 24 5.139 -4.866 -8.734 1.00 0.00 C ATOM 368 O ILE A 24 6.185 -5.091 -9.310 1.00 0.00 O ATOM 369 CB ILE A 24 3.583 -3.263 -9.818 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.581 -2.163 -9.482 1.00 0.00 C ATOM 371 CG2 ILE A 24 2.826 -4.580 -10.036 1.00 0.00 C ATOM 372 CD1 ILE A 24 1.474 -2.727 -8.592 1.00 0.00 C ATOM 0 H ILE A 24 5.985 -2.293 -9.762 1.00 0.00 H new ATOM 0 HA ILE A 24 4.090 -3.328 -7.689 1.00 0.00 H new ATOM 0 HB ILE A 24 4.130 -2.985 -10.719 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.086 -1.341 -8.974 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.152 -1.756 -10.398 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.120 -4.462 -10.858 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.535 -5.372 -10.277 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.284 -4.843 -9.128 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.761 -1.938 -8.354 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.962 -3.534 -9.116 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.909 -3.112 -7.670 1.00 0.00 H new ATOM 384 N LYS A 25 4.423 -5.801 -8.141 1.00 0.00 N ATOM 385 CA LYS A 25 4.892 -7.215 -8.155 1.00 0.00 C ATOM 386 C LYS A 25 3.706 -8.177 -8.330 1.00 0.00 C ATOM 387 O LYS A 25 2.754 -8.118 -7.578 1.00 0.00 O ATOM 388 CB LYS A 25 5.570 -7.517 -6.807 1.00 0.00 C ATOM 389 CG LYS A 25 6.390 -6.300 -6.366 1.00 0.00 C ATOM 390 CD LYS A 25 7.396 -6.739 -5.299 1.00 0.00 C ATOM 391 CE LYS A 25 7.653 -5.575 -4.338 1.00 0.00 C ATOM 392 NZ LYS A 25 7.645 -4.279 -5.073 1.00 0.00 N ATOM 0 H LYS A 25 3.542 -5.639 -7.654 1.00 0.00 H new ATOM 0 HA LYS A 25 5.586 -7.352 -8.984 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.818 -7.755 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.216 -8.390 -6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.911 -5.867 -7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.733 -5.527 -5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.011 -7.600 -4.752 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.329 -7.051 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.890 -5.563 -3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.613 -5.712 -3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.212 -3.580 -4.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.050 -4.415 -6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.667 -3.936 -5.161 1.00 0.00 H new ATOM 406 N SER A 26 3.789 -9.045 -9.320 1.00 0.00 N ATOM 407 CA SER A 26 2.668 -10.017 -9.553 1.00 0.00 C ATOM 408 C SER A 26 3.062 -11.420 -9.133 1.00 0.00 C ATOM 409 O SER A 26 3.407 -11.663 -7.994 1.00 0.00 O ATOM 410 CB SER A 26 2.344 -10.048 -11.056 1.00 0.00 C ATOM 411 OG SER A 26 1.329 -11.035 -11.172 1.00 0.00 O ATOM 0 H SER A 26 4.574 -9.120 -9.967 1.00 0.00 H new ATOM 0 HA SER A 26 1.809 -9.695 -8.964 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.998 -9.077 -11.409 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.222 -10.308 -11.648 1.00 0.00 H new ATOM 0 HG SER A 26 1.060 -11.119 -12.111 1.00 0.00 H new ATOM 417 N ASN A 27 2.995 -12.319 -10.068 1.00 0.00 N ATOM 418 CA ASN A 27 3.355 -13.719 -9.776 1.00 0.00 C ATOM 419 C ASN A 27 3.804 -14.406 -11.048 1.00 0.00 C ATOM 420 O ASN A 27 4.866 -14.988 -11.103 1.00 0.00 O ATOM 421 CB ASN A 27 2.111 -14.443 -9.239 1.00 0.00 C ATOM 422 CG ASN A 27 1.801 -13.950 -7.826 1.00 0.00 C ATOM 423 OD1 ASN A 27 2.778 -13.812 -6.975 1.00 0.00 O flip ATOM 424 ND2 ASN A 27 0.665 -13.689 -7.485 1.00 0.00 N flip ATOM 0 H ASN A 27 2.703 -12.138 -11.028 1.00 0.00 H new ATOM 0 HA ASN A 27 4.161 -13.745 -9.043 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.260 -14.259 -9.894 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.280 -15.520 -9.230 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.103 -13.795 -8.147 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.479 -13.363 -6.536 1.00 0.00 H new ATOM 431 N ARG A 28 2.989 -14.310 -12.060 1.00 0.00 N ATOM 432 CA ARG A 28 3.349 -14.953 -13.346 1.00 0.00 C ATOM 433 C ARG A 28 4.783 -14.611 -13.719 1.00 0.00 C ATOM 434 O ARG A 28 5.380 -15.243 -14.570 1.00 0.00 O ATOM 435 CB ARG A 28 2.408 -14.422 -14.440 1.00 0.00 C ATOM 436 CG ARG A 28 0.973 -14.402 -13.906 1.00 0.00 C ATOM 437 CD ARG A 28 0.589 -15.804 -13.429 1.00 0.00 C ATOM 438 NE ARG A 28 -0.831 -16.069 -13.802 1.00 0.00 N ATOM 439 CZ ARG A 28 -1.644 -16.579 -12.918 1.00 0.00 C ATOM 440 NH1 ARG A 28 -1.865 -15.928 -11.809 1.00 0.00 N ATOM 441 NH2 ARG A 28 -2.216 -17.725 -13.175 1.00 0.00 N ATOM 0 H ARG A 28 2.096 -13.817 -12.050 1.00 0.00 H new ATOM 0 HA ARG A 28 3.254 -16.035 -13.250 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.710 -13.419 -14.741 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.470 -15.053 -15.327 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.889 -13.691 -13.084 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.288 -14.071 -14.686 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.243 -16.549 -13.882 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.716 -15.883 -12.349 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.164 -15.853 -14.742 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.405 -15.033 -11.643 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.498 -16.314 -11.109 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.024 -18.205 -14.054 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.855 -18.140 -12.496 1.00 0.00 H new ATOM 455 N ASP A 29 5.312 -13.620 -13.065 1.00 0.00 N ATOM 456 CA ASP A 29 6.703 -13.208 -13.354 1.00 0.00 C ATOM 457 C ASP A 29 7.673 -14.369 -13.138 1.00 0.00 C ATOM 458 O ASP A 29 8.873 -14.194 -13.191 1.00 0.00 O ATOM 459 CB ASP A 29 7.063 -12.065 -12.393 1.00 0.00 C ATOM 460 CG ASP A 29 7.341 -12.641 -11.001 1.00 0.00 C ATOM 461 OD1 ASP A 29 6.411 -13.214 -10.457 1.00 0.00 O ATOM 462 OD2 ASP A 29 8.469 -12.477 -10.561 1.00 0.00 O ATOM 0 H ASP A 29 4.838 -13.078 -12.342 1.00 0.00 H new ATOM 0 HA ASP A 29 6.780 -12.890 -14.394 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.939 -11.529 -12.759 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.246 -11.345 -12.344 1.00 0.00 H new ATOM 467 N LYS A 30 7.132 -15.535 -12.895 1.00 0.00 N ATOM 468 CA LYS A 30 8.006 -16.713 -12.676 1.00 0.00 C ATOM 469 C LYS A 30 8.325 -17.414 -13.993 1.00 0.00 C ATOM 470 O LYS A 30 9.060 -18.384 -14.005 1.00 0.00 O ATOM 471 CB LYS A 30 7.262 -17.717 -11.776 1.00 0.00 C ATOM 472 CG LYS A 30 6.952 -17.072 -10.427 1.00 0.00 C ATOM 473 CD LYS A 30 5.593 -17.581 -9.940 1.00 0.00 C ATOM 474 CE LYS A 30 5.627 -19.107 -9.862 1.00 0.00 C ATOM 475 NZ LYS A 30 5.263 -19.701 -11.179 1.00 0.00 N ATOM 0 H LYS A 30 6.130 -15.716 -12.840 1.00 0.00 H new ATOM 0 HA LYS A 30 8.934 -16.372 -12.217 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.338 -18.036 -12.258 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.870 -18.610 -11.631 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.729 -17.318 -9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.937 -15.986 -10.522 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.363 -17.160 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.805 -17.257 -10.620 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.622 -19.441 -9.568 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.935 -19.454 -9.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.671 -20.543 -11.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.735 -19.003 -11.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.128 -19.973 -11.688 1.00 0.00 H new ATOM 489 N GLU A 31 7.765 -16.913 -15.082 1.00 0.00 N ATOM 490 CA GLU A 31 8.032 -17.554 -16.410 1.00 0.00 C ATOM 491 C GLU A 31 8.657 -16.585 -17.420 1.00 0.00 C ATOM 492 O GLU A 31 9.537 -16.962 -18.168 1.00 0.00 O ATOM 493 CB GLU A 31 6.692 -18.055 -16.984 1.00 0.00 C ATOM 494 CG GLU A 31 5.677 -16.907 -16.994 1.00 0.00 C ATOM 495 CD GLU A 31 5.147 -16.707 -18.418 1.00 0.00 C ATOM 496 OE1 GLU A 31 5.982 -16.681 -19.306 1.00 0.00 O ATOM 497 OE2 GLU A 31 3.939 -16.593 -18.535 1.00 0.00 O ATOM 0 H GLU A 31 7.146 -16.102 -15.103 1.00 0.00 H new ATOM 0 HA GLU A 31 8.740 -18.367 -16.249 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.837 -18.435 -17.995 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.314 -18.883 -16.384 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.853 -17.130 -16.316 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.145 -15.990 -16.637 1.00 0.00 H new ATOM 504 N THR A 32 8.205 -15.356 -17.432 1.00 0.00 N ATOM 505 CA THR A 32 8.790 -14.390 -18.406 1.00 0.00 C ATOM 506 C THR A 32 8.527 -12.941 -18.006 1.00 0.00 C ATOM 507 O THR A 32 7.631 -12.659 -17.235 1.00 0.00 O ATOM 508 CB THR A 32 8.115 -14.641 -19.764 1.00 0.00 C ATOM 509 OG1 THR A 32 9.006 -14.127 -20.730 1.00 0.00 O ATOM 510 CG2 THR A 32 6.844 -13.785 -19.913 1.00 0.00 C ATOM 0 H THR A 32 7.473 -14.987 -16.824 1.00 0.00 H new ATOM 0 HA THR A 32 9.869 -14.539 -18.440 1.00 0.00 H new ATOM 0 HB THR A 32 7.876 -15.700 -19.864 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.630 -14.260 -21.625 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.385 -13.981 -20.882 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.140 -14.038 -19.120 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.106 -12.729 -19.842 1.00 0.00 H new ATOM 518 N LYS A 33 9.325 -12.041 -18.538 1.00 0.00 N ATOM 519 CA LYS A 33 9.123 -10.613 -18.198 1.00 0.00 C ATOM 520 C LYS A 33 7.666 -10.266 -18.444 1.00 0.00 C ATOM 521 O LYS A 33 7.202 -10.323 -19.568 1.00 0.00 O ATOM 522 CB LYS A 33 10.012 -9.758 -19.125 1.00 0.00 C ATOM 523 CG LYS A 33 9.925 -8.288 -18.703 1.00 0.00 C ATOM 524 CD LYS A 33 11.282 -7.616 -18.946 1.00 0.00 C ATOM 525 CE LYS A 33 11.550 -7.545 -20.454 1.00 0.00 C ATOM 526 NZ LYS A 33 10.715 -6.482 -21.086 1.00 0.00 N ATOM 0 H LYS A 33 10.092 -12.239 -19.181 1.00 0.00 H new ATOM 0 HA LYS A 33 9.383 -10.423 -17.157 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.045 -10.102 -19.074 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.690 -9.870 -20.160 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.146 -7.779 -19.271 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.652 -8.214 -17.650 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.287 -6.614 -18.517 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.073 -8.179 -18.451 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.606 -7.340 -20.632 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.331 -8.509 -20.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.121 -6.224 -22.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.746 -6.836 -21.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.695 -5.644 -20.470 1.00 0.00 H new ATOM 540 N VAL A 34 6.969 -9.914 -17.395 1.00 0.00 N ATOM 541 CA VAL A 34 5.533 -9.566 -17.556 1.00 0.00 C ATOM 542 C VAL A 34 5.254 -8.066 -17.436 1.00 0.00 C ATOM 543 O VAL A 34 5.885 -7.363 -16.671 1.00 0.00 O ATOM 544 CB VAL A 34 4.758 -10.301 -16.449 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.359 -9.950 -15.088 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.300 -9.865 -16.479 1.00 0.00 C ATOM 0 H VAL A 34 7.331 -9.854 -16.443 1.00 0.00 H new ATOM 0 HA VAL A 34 5.223 -9.863 -18.558 1.00 0.00 H new ATOM 0 HB VAL A 34 4.824 -11.377 -16.612 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.810 -10.470 -14.303 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.405 -10.255 -15.063 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.290 -8.874 -14.927 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.749 -10.385 -15.695 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.238 -8.789 -16.314 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.867 -10.108 -17.449 1.00 0.00 H new ATOM 556 N PHE A 35 4.296 -7.618 -18.217 1.00 0.00 N ATOM 557 CA PHE A 35 3.907 -6.181 -18.206 1.00 0.00 C ATOM 558 C PHE A 35 2.680 -6.032 -17.328 1.00 0.00 C ATOM 559 O PHE A 35 1.973 -7.009 -17.109 1.00 0.00 O ATOM 560 CB PHE A 35 3.571 -5.737 -19.644 1.00 0.00 C ATOM 561 CG PHE A 35 4.863 -5.411 -20.405 1.00 0.00 C ATOM 562 CD1 PHE A 35 6.086 -5.909 -19.980 1.00 0.00 C ATOM 563 CD2 PHE A 35 4.825 -4.589 -21.520 1.00 0.00 C ATOM 564 CE1 PHE A 35 7.243 -5.587 -20.655 1.00 0.00 C ATOM 565 CE2 PHE A 35 5.988 -4.270 -22.192 1.00 0.00 C ATOM 566 CZ PHE A 35 7.194 -4.769 -21.760 1.00 0.00 C ATOM 0 H PHE A 35 3.765 -8.199 -18.866 1.00 0.00 H new ATOM 0 HA PHE A 35 4.721 -5.566 -17.823 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.024 -6.527 -20.159 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.921 -4.862 -19.621 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.131 -6.553 -19.114 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.880 -4.196 -21.865 1.00 0.00 H new ATOM 0 HE1 PHE A 35 8.191 -5.978 -20.316 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.950 -3.627 -23.059 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.102 -4.519 -22.288 1.00 0.00 H new ATOM 576 N TYR A 36 2.408 -4.820 -16.866 1.00 0.00 N ATOM 577 CA TYR A 36 1.211 -4.633 -15.984 1.00 0.00 C ATOM 578 C TYR A 36 0.113 -3.740 -16.543 1.00 0.00 C ATOM 579 O TYR A 36 0.230 -3.133 -17.585 1.00 0.00 O ATOM 580 CB TYR A 36 1.704 -3.991 -14.692 1.00 0.00 C ATOM 581 CG TYR A 36 2.301 -5.068 -13.807 1.00 0.00 C ATOM 582 CD1 TYR A 36 3.581 -5.523 -14.029 1.00 0.00 C ATOM 583 CD2 TYR A 36 1.571 -5.603 -12.775 1.00 0.00 C ATOM 584 CE1 TYR A 36 4.118 -6.500 -13.230 1.00 0.00 C ATOM 585 CE2 TYR A 36 2.107 -6.579 -11.974 1.00 0.00 C ATOM 586 CZ TYR A 36 3.387 -7.036 -12.194 1.00 0.00 C ATOM 587 OH TYR A 36 3.931 -8.003 -11.384 1.00 0.00 O ATOM 0 H TYR A 36 2.951 -3.979 -17.059 1.00 0.00 H new ATOM 0 HA TYR A 36 0.764 -5.620 -15.863 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.450 -3.227 -14.911 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.880 -3.495 -14.179 1.00 0.00 H new ATOM 0 HD1 TYR A 36 4.166 -5.108 -14.837 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.566 -5.252 -12.592 1.00 0.00 H new ATOM 0 HE1 TYR A 36 5.122 -6.852 -13.415 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.521 -6.992 -11.166 1.00 0.00 H new ATOM 0 HH TYR A 36 4.908 -7.980 -11.458 1.00 0.00 H new ATOM 597 N SER A 37 -0.950 -3.711 -15.783 1.00 0.00 N ATOM 598 CA SER A 37 -2.141 -2.908 -16.122 1.00 0.00 C ATOM 599 C SER A 37 -2.943 -2.722 -14.840 1.00 0.00 C ATOM 600 O SER A 37 -2.940 -3.600 -13.998 1.00 0.00 O ATOM 601 CB SER A 37 -2.989 -3.681 -17.148 1.00 0.00 C ATOM 602 OG SER A 37 -3.442 -2.679 -18.048 1.00 0.00 O ATOM 0 H SER A 37 -1.035 -4.234 -14.911 1.00 0.00 H new ATOM 0 HA SER A 37 -1.859 -1.944 -16.544 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.399 -4.441 -17.661 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.823 -4.194 -16.670 1.00 0.00 H new ATOM 0 HG SER A 37 -3.996 -3.091 -18.744 1.00 0.00 H new ATOM 608 N ILE A 38 -3.608 -1.599 -14.693 1.00 0.00 N ATOM 609 CA ILE A 38 -4.400 -1.385 -13.440 1.00 0.00 C ATOM 610 C ILE A 38 -5.808 -0.899 -13.711 1.00 0.00 C ATOM 611 O ILE A 38 -6.071 -0.221 -14.683 1.00 0.00 O ATOM 612 CB ILE A 38 -3.679 -0.339 -12.596 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.481 -0.057 -11.312 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.527 0.948 -13.435 1.00 0.00 C ATOM 615 CD1 ILE A 38 -5.381 1.183 -11.469 1.00 0.00 C ATOM 0 H ILE A 38 -3.637 -0.837 -15.371 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.479 -2.344 -12.927 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.693 -0.703 -12.306 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.094 -0.924 -11.067 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.795 0.094 -10.479 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.013 1.708 -12.846 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.948 0.731 -14.332 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.513 1.315 -13.720 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.932 1.352 -10.544 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.764 2.055 -11.689 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.084 1.021 -12.286 1.00 0.00 H new ATOM 627 N THR A 39 -6.689 -1.263 -12.823 1.00 0.00 N ATOM 628 CA THR A 39 -8.097 -0.855 -12.964 1.00 0.00 C ATOM 629 C THR A 39 -8.799 -0.934 -11.612 1.00 0.00 C ATOM 630 O THR A 39 -8.343 -1.630 -10.715 1.00 0.00 O ATOM 631 CB THR A 39 -8.787 -1.814 -13.940 1.00 0.00 C ATOM 632 OG1 THR A 39 -9.997 -1.177 -14.297 1.00 0.00 O ATOM 633 CG2 THR A 39 -9.223 -3.098 -13.225 1.00 0.00 C ATOM 0 H THR A 39 -6.484 -1.831 -12.001 1.00 0.00 H new ATOM 0 HA THR A 39 -8.146 0.169 -13.334 1.00 0.00 H new ATOM 0 HB THR A 39 -8.116 -2.046 -14.767 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.491 -1.742 -14.927 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.710 -3.764 -13.937 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.349 -3.595 -12.804 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.920 -2.850 -12.425 1.00 0.00 H new ATOM 641 N GLY A 40 -9.889 -0.216 -11.484 1.00 0.00 N ATOM 642 CA GLY A 40 -10.642 -0.233 -10.191 1.00 0.00 C ATOM 643 C GLY A 40 -10.647 1.157 -9.548 1.00 0.00 C ATOM 644 O GLY A 40 -10.257 2.138 -10.162 1.00 0.00 O ATOM 0 H GLY A 40 -10.287 0.376 -12.213 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.666 -0.562 -10.366 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.188 -0.953 -9.510 1.00 0.00 H new ATOM 648 N GLN A 41 -11.088 1.207 -8.318 1.00 0.00 N ATOM 649 CA GLN A 41 -11.135 2.505 -7.604 1.00 0.00 C ATOM 650 C GLN A 41 -9.772 3.188 -7.619 1.00 0.00 C ATOM 651 O GLN A 41 -8.846 2.742 -6.970 1.00 0.00 O ATOM 652 CB GLN A 41 -11.540 2.233 -6.146 1.00 0.00 C ATOM 653 CG GLN A 41 -10.914 0.913 -5.690 1.00 0.00 C ATOM 654 CD GLN A 41 -10.946 0.839 -4.160 1.00 0.00 C ATOM 655 OE1 GLN A 41 -10.104 1.395 -3.484 1.00 0.00 O ATOM 656 NE2 GLN A 41 -11.900 0.163 -3.577 1.00 0.00 N ATOM 0 H GLN A 41 -11.416 0.403 -7.783 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.852 3.160 -8.099 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.206 3.049 -5.505 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.626 2.184 -6.060 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.459 0.072 -6.118 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.887 0.842 -6.048 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.610 -0.306 -4.140 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.935 0.104 -2.559 1.00 0.00 H new ATOM 665 N GLY A 42 -9.681 4.265 -8.361 1.00 0.00 N ATOM 666 CA GLY A 42 -8.383 5.007 -8.442 1.00 0.00 C ATOM 667 C GLY A 42 -7.973 5.198 -9.902 1.00 0.00 C ATOM 668 O GLY A 42 -7.128 6.018 -10.207 1.00 0.00 O ATOM 0 H GLY A 42 -10.444 4.661 -8.911 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.479 5.977 -7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.608 4.457 -7.908 1.00 0.00 H new ATOM 672 N ALA A 43 -8.583 4.424 -10.772 1.00 0.00 N ATOM 673 CA ALA A 43 -8.255 4.533 -12.220 1.00 0.00 C ATOM 674 C ALA A 43 -9.519 4.711 -13.047 1.00 0.00 C ATOM 675 O ALA A 43 -9.740 5.758 -13.625 1.00 0.00 O ATOM 676 CB ALA A 43 -7.568 3.230 -12.658 1.00 0.00 C ATOM 0 H ALA A 43 -9.289 3.727 -10.537 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.607 5.396 -12.374 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.319 3.288 -13.717 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.656 3.087 -12.078 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.241 2.389 -12.490 1.00 0.00 H new ATOM 682 N ASP A 44 -10.330 3.682 -13.080 1.00 0.00 N ATOM 683 CA ASP A 44 -11.592 3.760 -13.863 1.00 0.00 C ATOM 684 C ASP A 44 -12.790 3.977 -12.947 1.00 0.00 C ATOM 685 O ASP A 44 -13.764 4.592 -13.334 1.00 0.00 O ATOM 686 CB ASP A 44 -11.778 2.429 -14.608 1.00 0.00 C ATOM 687 CG ASP A 44 -11.973 1.301 -13.592 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.561 1.513 -12.462 1.00 0.00 O ATOM 689 OD2 ASP A 44 -12.522 0.291 -14.003 1.00 0.00 O ATOM 0 H ASP A 44 -10.170 2.797 -12.599 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.529 4.598 -14.557 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.640 2.489 -15.272 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.908 2.225 -15.233 1.00 0.00 H new ATOM 694 N LYS A 45 -12.694 3.465 -11.747 1.00 0.00 N ATOM 695 CA LYS A 45 -13.815 3.626 -10.784 1.00 0.00 C ATOM 696 C LYS A 45 -13.513 4.767 -9.787 1.00 0.00 C ATOM 697 O LYS A 45 -12.371 4.999 -9.437 1.00 0.00 O ATOM 698 CB LYS A 45 -13.949 2.297 -9.997 1.00 0.00 C ATOM 699 CG LYS A 45 -15.344 1.685 -10.223 1.00 0.00 C ATOM 700 CD LYS A 45 -15.249 0.164 -10.104 1.00 0.00 C ATOM 701 CE LYS A 45 -16.498 -0.357 -9.386 1.00 0.00 C ATOM 702 NZ LYS A 45 -16.818 -1.742 -9.832 1.00 0.00 N ATOM 0 H LYS A 45 -11.890 2.945 -11.397 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.732 3.867 -11.321 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.179 1.596 -10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.791 2.478 -8.934 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.049 2.076 -9.490 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.721 1.962 -11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.167 -0.287 -11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.352 -0.115 -9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.337 -0.344 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.343 0.301 -9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.667 -2.079 -9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.993 -1.745 -10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.018 -2.370 -9.615 1.00 0.00 H new ATOM 716 N PRO A 46 -14.557 5.467 -9.356 1.00 0.00 N ATOM 717 CA PRO A 46 -14.398 6.570 -8.410 1.00 0.00 C ATOM 718 C PRO A 46 -13.704 6.099 -7.114 1.00 0.00 C ATOM 719 O PRO A 46 -14.084 5.093 -6.547 1.00 0.00 O ATOM 720 CB PRO A 46 -15.843 7.018 -8.083 1.00 0.00 C ATOM 721 CG PRO A 46 -16.808 6.143 -8.938 1.00 0.00 C ATOM 722 CD PRO A 46 -15.937 5.208 -9.790 1.00 0.00 C ATOM 0 HA PRO A 46 -13.784 7.368 -8.828 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.052 6.893 -7.021 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.978 8.075 -8.313 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.476 5.568 -8.297 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.435 6.769 -9.573 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.210 4.164 -9.634 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.061 5.414 -10.853 1.00 0.00 H new ATOM 730 N PRO A 47 -12.687 6.838 -6.657 1.00 0.00 N ATOM 731 CA PRO A 47 -12.169 8.044 -7.334 1.00 0.00 C ATOM 732 C PRO A 47 -11.478 7.697 -8.656 1.00 0.00 C ATOM 733 O PRO A 47 -10.505 6.974 -8.678 1.00 0.00 O ATOM 734 CB PRO A 47 -11.120 8.620 -6.357 1.00 0.00 C ATOM 735 CG PRO A 47 -10.979 7.611 -5.176 1.00 0.00 C ATOM 736 CD PRO A 47 -12.016 6.498 -5.399 1.00 0.00 C ATOM 0 HA PRO A 47 -12.976 8.738 -7.570 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.163 8.759 -6.860 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -11.433 9.598 -5.991 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.971 7.196 -5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.150 8.110 -4.222 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.537 5.521 -5.461 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -12.727 6.452 -4.574 1.00 0.00 H new ATOM 744 N VAL A 48 -11.999 8.218 -9.732 1.00 0.00 N ATOM 745 CA VAL A 48 -11.388 7.928 -11.050 1.00 0.00 C ATOM 746 C VAL A 48 -10.171 8.816 -11.309 1.00 0.00 C ATOM 747 O VAL A 48 -10.089 9.925 -10.818 1.00 0.00 O ATOM 748 CB VAL A 48 -12.441 8.200 -12.135 1.00 0.00 C ATOM 749 CG1 VAL A 48 -13.267 9.425 -11.738 1.00 0.00 C ATOM 750 CG2 VAL A 48 -11.739 8.471 -13.468 1.00 0.00 C ATOM 0 H VAL A 48 -12.816 8.828 -9.752 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.059 6.889 -11.065 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.095 7.334 -12.238 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -14.016 9.623 -12.505 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.763 9.236 -10.786 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.611 10.290 -11.640 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.485 8.664 -14.239 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.088 9.340 -13.367 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.143 7.602 -13.749 1.00 0.00 H new ATOM 760 N GLY A 49 -9.247 8.301 -12.077 1.00 0.00 N ATOM 761 CA GLY A 49 -8.015 9.088 -12.395 1.00 0.00 C ATOM 762 C GLY A 49 -7.254 9.492 -11.123 1.00 0.00 C ATOM 763 O GLY A 49 -7.379 10.605 -10.650 1.00 0.00 O ATOM 0 H GLY A 49 -9.290 7.373 -12.497 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.362 8.498 -13.038 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.289 9.982 -12.955 1.00 0.00 H new ATOM 767 N VAL A 50 -6.472 8.578 -10.604 1.00 0.00 N ATOM 768 CA VAL A 50 -5.695 8.883 -9.372 1.00 0.00 C ATOM 769 C VAL A 50 -4.360 8.145 -9.388 1.00 0.00 C ATOM 770 O VAL A 50 -3.316 8.737 -9.138 1.00 0.00 O ATOM 771 CB VAL A 50 -6.506 8.417 -8.149 1.00 0.00 C ATOM 772 CG1 VAL A 50 -5.643 8.544 -6.891 1.00 0.00 C ATOM 773 CG2 VAL A 50 -7.743 9.304 -7.997 1.00 0.00 C ATOM 0 H VAL A 50 -6.341 7.639 -10.981 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.507 9.956 -9.324 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.809 7.379 -8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.214 8.215 -6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.753 7.924 -6.996 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.346 9.584 -6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.321 8.978 -7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.433 10.340 -7.857 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.358 9.228 -8.894 1.00 0.00 H new ATOM 783 N PHE A 51 -4.422 6.858 -9.683 1.00 0.00 N ATOM 784 CA PHE A 51 -3.175 6.041 -9.727 1.00 0.00 C ATOM 785 C PHE A 51 -2.803 5.689 -11.168 1.00 0.00 C ATOM 786 O PHE A 51 -3.658 5.385 -11.978 1.00 0.00 O ATOM 787 CB PHE A 51 -3.415 4.716 -8.964 1.00 0.00 C ATOM 788 CG PHE A 51 -3.581 4.988 -7.465 1.00 0.00 C ATOM 789 CD1 PHE A 51 -4.787 5.443 -6.960 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.532 4.756 -6.590 1.00 0.00 C ATOM 791 CE1 PHE A 51 -4.940 5.659 -5.606 1.00 0.00 C ATOM 792 CE2 PHE A 51 -2.689 4.974 -5.237 1.00 0.00 C ATOM 793 CZ PHE A 51 -3.892 5.425 -4.746 1.00 0.00 C ATOM 0 H PHE A 51 -5.281 6.350 -9.892 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.370 6.621 -9.275 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.306 4.221 -9.352 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.577 4.038 -9.127 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.613 5.630 -7.630 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.585 4.402 -6.970 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.885 6.013 -5.220 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.866 4.790 -4.562 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.014 5.595 -3.686 1.00 0.00 H new ATOM 803 N ILE A 52 -1.532 5.742 -11.451 1.00 0.00 N ATOM 804 CA ILE A 52 -1.054 5.416 -12.820 1.00 0.00 C ATOM 805 C ILE A 52 0.215 4.562 -12.741 1.00 0.00 C ATOM 806 O ILE A 52 1.240 5.002 -12.249 1.00 0.00 O ATOM 807 CB ILE A 52 -0.752 6.725 -13.574 1.00 0.00 C ATOM 808 CG1 ILE A 52 -0.096 7.738 -12.643 1.00 0.00 C ATOM 809 CG2 ILE A 52 -2.081 7.318 -14.080 1.00 0.00 C ATOM 810 CD1 ILE A 52 0.567 8.836 -13.481 1.00 0.00 C ATOM 0 H ILE A 52 -0.801 5.999 -10.788 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.824 4.855 -13.350 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.077 6.510 -14.403 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.841 8.172 -11.976 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.646 7.245 -12.015 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.884 8.246 -14.617 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.565 6.607 -14.750 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.735 7.521 -13.232 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.038 9.564 -12.820 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.322 8.393 -14.130 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.187 9.334 -14.090 1.00 0.00 H new ATOM 822 N ILE A 53 0.112 3.346 -13.219 1.00 0.00 N ATOM 823 CA ILE A 53 1.286 2.429 -13.190 1.00 0.00 C ATOM 824 C ILE A 53 1.899 2.264 -14.572 1.00 0.00 C ATOM 825 O ILE A 53 1.217 2.357 -15.574 1.00 0.00 O ATOM 826 CB ILE A 53 0.803 1.064 -12.708 1.00 0.00 C ATOM 827 CG1 ILE A 53 -0.009 0.386 -13.811 1.00 0.00 C ATOM 828 CG2 ILE A 53 -0.112 1.276 -11.492 1.00 0.00 C ATOM 829 CD1 ILE A 53 0.935 -0.341 -14.780 1.00 0.00 C ATOM 0 H ILE A 53 -0.736 2.952 -13.627 1.00 0.00 H new ATOM 0 HA ILE A 53 2.044 2.848 -12.528 1.00 0.00 H new ATOM 0 HB ILE A 53 1.659 0.442 -12.448 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.713 -0.323 -13.374 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.598 1.128 -14.350 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.468 0.311 -11.132 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.446 1.775 -10.700 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.963 1.892 -11.780 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.351 -0.823 -15.564 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.621 0.378 -15.228 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.504 -1.095 -14.236 1.00 0.00 H new ATOM 841 N GLU A 54 3.181 2.020 -14.600 1.00 0.00 N ATOM 842 CA GLU A 54 3.859 1.843 -15.904 1.00 0.00 C ATOM 843 C GLU A 54 3.720 0.402 -16.388 1.00 0.00 C ATOM 844 O GLU A 54 4.444 -0.477 -15.965 1.00 0.00 O ATOM 845 CB GLU A 54 5.351 2.178 -15.731 1.00 0.00 C ATOM 846 CG GLU A 54 5.691 3.405 -16.582 1.00 0.00 C ATOM 847 CD GLU A 54 5.550 3.046 -18.063 1.00 0.00 C ATOM 848 OE1 GLU A 54 5.332 1.872 -18.317 1.00 0.00 O ATOM 849 OE2 GLU A 54 5.668 3.965 -18.858 1.00 0.00 O ATOM 0 H GLU A 54 3.780 1.937 -13.779 1.00 0.00 H new ATOM 0 HA GLU A 54 3.401 2.504 -16.640 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.573 2.375 -14.682 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.964 1.329 -16.033 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.026 4.232 -16.331 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.707 3.738 -16.372 1.00 0.00 H new ATOM 856 N ARG A 55 2.782 0.197 -17.265 1.00 0.00 N ATOM 857 CA ARG A 55 2.550 -1.162 -17.809 1.00 0.00 C ATOM 858 C ARG A 55 3.857 -1.826 -18.241 1.00 0.00 C ATOM 859 O ARG A 55 3.891 -3.016 -18.493 1.00 0.00 O ATOM 860 CB ARG A 55 1.631 -1.008 -19.037 1.00 0.00 C ATOM 861 CG ARG A 55 1.808 -2.203 -19.972 1.00 0.00 C ATOM 862 CD ARG A 55 0.752 -2.131 -21.077 1.00 0.00 C ATOM 863 NE ARG A 55 0.180 -0.755 -21.112 1.00 0.00 N ATOM 864 CZ ARG A 55 0.557 0.073 -22.049 1.00 0.00 C ATOM 865 NH1 ARG A 55 1.708 -0.121 -22.633 1.00 0.00 N ATOM 866 NH2 ARG A 55 -0.229 1.067 -22.371 1.00 0.00 N ATOM 0 H ARG A 55 2.162 0.920 -17.630 1.00 0.00 H new ATOM 0 HA ARG A 55 2.101 -1.791 -17.040 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.591 -0.936 -18.717 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.867 -0.084 -19.565 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.808 -2.197 -20.406 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.708 -3.135 -19.415 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.198 -2.378 -22.041 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.036 -2.862 -20.893 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.500 -0.463 -20.410 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.295 -0.908 -22.355 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.021 0.514 -23.367 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.122 1.187 -21.893 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.051 1.723 -23.101 1.00 0.00 H new ATOM 880 N GLU A 56 4.912 -1.053 -18.298 1.00 0.00 N ATOM 881 CA GLU A 56 6.222 -1.629 -18.713 1.00 0.00 C ATOM 882 C GLU A 56 7.097 -1.993 -17.511 1.00 0.00 C ATOM 883 O GLU A 56 7.305 -3.155 -17.224 1.00 0.00 O ATOM 884 CB GLU A 56 6.962 -0.571 -19.548 1.00 0.00 C ATOM 885 CG GLU A 56 6.113 -0.204 -20.773 1.00 0.00 C ATOM 886 CD GLU A 56 6.289 -1.267 -21.862 1.00 0.00 C ATOM 887 OE1 GLU A 56 7.161 -2.098 -21.673 1.00 0.00 O ATOM 888 OE2 GLU A 56 5.541 -1.186 -22.824 1.00 0.00 O ATOM 0 H GLU A 56 4.922 -0.057 -18.077 1.00 0.00 H new ATOM 0 HA GLU A 56 6.033 -2.540 -19.280 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.153 0.317 -18.945 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.932 -0.955 -19.865 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.063 -0.130 -20.490 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.410 0.773 -21.154 1.00 0.00 H new ATOM 895 N THR A 57 7.592 -0.991 -16.831 1.00 0.00 N ATOM 896 CA THR A 57 8.458 -1.265 -15.646 1.00 0.00 C ATOM 897 C THR A 57 7.639 -1.554 -14.394 1.00 0.00 C ATOM 898 O THR A 57 8.188 -1.737 -13.320 1.00 0.00 O ATOM 899 CB THR A 57 9.321 -0.031 -15.386 1.00 0.00 C ATOM 900 OG1 THR A 57 8.411 1.000 -15.057 1.00 0.00 O ATOM 901 CG2 THR A 57 9.997 0.446 -16.678 1.00 0.00 C ATOM 0 H THR A 57 7.436 -0.005 -17.042 1.00 0.00 H new ATOM 0 HA THR A 57 9.064 -2.144 -15.863 1.00 0.00 H new ATOM 0 HB THR A 57 10.069 -0.258 -14.626 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.842 1.870 -15.187 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.606 1.325 -16.467 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.631 -0.348 -17.071 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.235 0.700 -17.415 1.00 0.00 H new ATOM 909 N GLY A 58 6.349 -1.589 -14.543 1.00 0.00 N ATOM 910 CA GLY A 58 5.488 -1.867 -13.361 1.00 0.00 C ATOM 911 C GLY A 58 5.696 -0.802 -12.277 1.00 0.00 C ATOM 912 O GLY A 58 5.423 -1.035 -11.114 1.00 0.00 O ATOM 0 H GLY A 58 5.854 -1.439 -15.422 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.441 -1.885 -13.664 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.721 -2.853 -12.959 1.00 0.00 H new ATOM 916 N TRP A 59 6.188 0.343 -12.679 1.00 0.00 N ATOM 917 CA TRP A 59 6.416 1.425 -11.686 1.00 0.00 C ATOM 918 C TRP A 59 5.091 2.070 -11.289 1.00 0.00 C ATOM 919 O TRP A 59 4.417 2.656 -12.113 1.00 0.00 O ATOM 920 CB TRP A 59 7.313 2.496 -12.331 1.00 0.00 C ATOM 921 CG TRP A 59 8.721 2.408 -11.734 1.00 0.00 C ATOM 922 CD1 TRP A 59 9.786 1.978 -12.392 1.00 0.00 C ATOM 923 CD2 TRP A 59 9.030 2.754 -10.511 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.780 2.080 -11.489 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.377 2.569 -10.262 1.00 0.00 C ATOM 926 CE3 TRP A 59 8.208 3.250 -9.518 1.00 0.00 C ATOM 927 CZ2 TRP A 59 10.900 2.879 -9.024 1.00 0.00 C ATOM 928 CZ3 TRP A 59 8.733 3.560 -8.281 1.00 0.00 C ATOM 929 CH2 TRP A 59 10.078 3.375 -8.033 1.00 0.00 C ATOM 0 H TRP A 59 6.438 0.570 -13.642 1.00 0.00 H new ATOM 0 HA TRP A 59 6.887 1.005 -10.797 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.354 2.350 -13.410 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.895 3.488 -12.159 1.00 0.00 H new ATOM 0 HD1 TRP A 59 9.844 1.628 -13.412 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.745 1.819 -11.693 1.00 0.00 H new ATOM 0 HE3 TRP A 59 7.155 3.395 -9.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 11.952 2.734 -8.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 8.090 3.948 -7.505 1.00 0.00 H new ATOM 0 HH2 TRP A 59 10.487 3.618 -7.064 1.00 0.00 H new ATOM 940 N LEU A 60 4.741 1.956 -10.036 1.00 0.00 N ATOM 941 CA LEU A 60 3.462 2.562 -9.591 1.00 0.00 C ATOM 942 C LEU A 60 3.626 4.044 -9.267 1.00 0.00 C ATOM 943 O LEU A 60 4.372 4.418 -8.371 1.00 0.00 O ATOM 944 CB LEU A 60 2.972 1.832 -8.327 1.00 0.00 C ATOM 945 CG LEU A 60 1.435 1.826 -8.320 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.931 1.255 -6.993 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.922 3.259 -8.470 1.00 0.00 C ATOM 0 H LEU A 60 5.279 1.476 -9.314 1.00 0.00 H new ATOM 0 HA LEU A 60 2.741 2.464 -10.403 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.353 0.811 -8.310 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.351 2.329 -7.434 1.00 0.00 H new ATOM 0 HG LEU A 60 1.073 1.213 -9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.159 1.251 -6.989 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.298 0.236 -6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.295 1.871 -6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.168 3.258 -8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.288 3.865 -7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.280 3.677 -9.411 1.00 0.00 H new ATOM 959 N LYS A 61 2.920 4.855 -10.013 1.00 0.00 N ATOM 960 CA LYS A 61 2.983 6.323 -9.803 1.00 0.00 C ATOM 961 C LYS A 61 1.578 6.854 -9.617 1.00 0.00 C ATOM 962 O LYS A 61 0.634 6.179 -9.943 1.00 0.00 O ATOM 963 CB LYS A 61 3.603 6.975 -11.049 1.00 0.00 C ATOM 964 CG LYS A 61 4.636 6.022 -11.657 1.00 0.00 C ATOM 965 CD LYS A 61 5.281 6.690 -12.876 1.00 0.00 C ATOM 966 CE LYS A 61 5.968 5.623 -13.732 1.00 0.00 C ATOM 967 NZ LYS A 61 6.150 6.116 -15.127 1.00 0.00 N ATOM 0 H LYS A 61 2.299 4.555 -10.764 1.00 0.00 H new ATOM 0 HA LYS A 61 3.585 6.550 -8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.826 7.202 -11.779 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.076 7.920 -10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.398 5.773 -10.918 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.158 5.087 -11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.524 7.212 -13.462 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.006 7.437 -12.554 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.936 5.368 -13.300 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.371 4.711 -13.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.926 5.593 -15.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.272 5.969 -15.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.380 7.130 -15.110 1.00 0.00 H new ATOM 981 N VAL A 62 1.455 8.037 -9.069 1.00 0.00 N ATOM 982 CA VAL A 62 0.086 8.600 -8.867 1.00 0.00 C ATOM 983 C VAL A 62 0.018 10.075 -9.205 1.00 0.00 C ATOM 984 O VAL A 62 0.998 10.801 -9.095 1.00 0.00 O ATOM 985 CB VAL A 62 -0.304 8.429 -7.394 1.00 0.00 C ATOM 986 CG1 VAL A 62 -0.216 6.952 -7.021 1.00 0.00 C ATOM 987 CG2 VAL A 62 0.656 9.236 -6.519 1.00 0.00 C ATOM 0 H VAL A 62 2.227 8.627 -8.758 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.594 8.065 -9.530 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.322 8.785 -7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.492 6.824 -5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.897 6.377 -7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.804 6.599 -7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.381 9.116 -5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.674 8.878 -6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.598 10.290 -6.791 1.00 0.00 H new ATOM 997 N THR A 63 -1.148 10.489 -9.632 1.00 0.00 N ATOM 998 CA THR A 63 -1.339 11.905 -9.989 1.00 0.00 C ATOM 999 C THR A 63 -1.834 12.668 -8.778 1.00 0.00 C ATOM 1000 O THR A 63 -1.624 13.860 -8.661 1.00 0.00 O ATOM 1001 CB THR A 63 -2.394 11.993 -11.094 1.00 0.00 C ATOM 1002 OG1 THR A 63 -3.503 11.262 -10.612 1.00 0.00 O ATOM 1003 CG2 THR A 63 -1.940 11.227 -12.344 1.00 0.00 C ATOM 0 H THR A 63 -1.971 9.897 -9.745 1.00 0.00 H new ATOM 0 HA THR A 63 -0.395 12.331 -10.330 1.00 0.00 H new ATOM 0 HB THR A 63 -2.589 13.038 -11.336 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.222 11.281 -11.278 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.706 11.304 -13.116 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.008 11.654 -12.714 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.783 10.178 -12.091 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.495 11.954 -7.891 1.00 0.00 N ATOM 1012 CA GLN A 64 -3.024 12.605 -6.659 1.00 0.00 C ATOM 1013 C GLN A 64 -2.684 11.752 -5.417 1.00 0.00 C ATOM 1014 O GLN A 64 -2.802 10.543 -5.451 1.00 0.00 O ATOM 1015 CB GLN A 64 -4.553 12.706 -6.790 1.00 0.00 C ATOM 1016 CG GLN A 64 -4.896 13.509 -8.047 1.00 0.00 C ATOM 1017 CD GLN A 64 -6.414 13.707 -8.129 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -7.184 13.061 -7.297 1.00 0.00 O flip ATOM 1019 NE2 GLN A 64 -6.909 14.452 -8.952 1.00 0.00 N flip ATOM 0 H GLN A 64 -2.687 10.955 -7.972 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.576 13.592 -6.544 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.992 11.710 -6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.975 13.189 -5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.393 14.476 -8.022 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.538 12.986 -8.934 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.312 14.960 -9.605 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.921 14.570 -8.990 1.00 0.00 H new ATOM 1028 N PRO A 65 -2.268 12.405 -4.333 1.00 0.00 N ATOM 1029 CA PRO A 65 -1.919 11.691 -3.101 1.00 0.00 C ATOM 1030 C PRO A 65 -3.127 10.976 -2.517 1.00 0.00 C ATOM 1031 O PRO A 65 -4.230 11.121 -3.005 1.00 0.00 O ATOM 1032 CB PRO A 65 -1.465 12.794 -2.120 1.00 0.00 C ATOM 1033 CG PRO A 65 -1.734 14.165 -2.810 1.00 0.00 C ATOM 1034 CD PRO A 65 -2.135 13.870 -4.265 1.00 0.00 C ATOM 0 HA PRO A 65 -1.155 10.935 -3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.013 12.722 -1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.407 12.685 -1.881 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.527 14.706 -2.294 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.845 14.794 -2.776 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.071 14.364 -4.524 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.380 14.231 -4.964 1.00 0.00 H new ATOM 1042 N LEU A 66 -2.904 10.213 -1.479 1.00 0.00 N ATOM 1043 CA LEU A 66 -4.042 9.492 -0.866 1.00 0.00 C ATOM 1044 C LEU A 66 -4.690 10.359 0.204 1.00 0.00 C ATOM 1045 O LEU A 66 -4.164 11.393 0.556 1.00 0.00 O ATOM 1046 CB LEU A 66 -3.516 8.199 -0.234 1.00 0.00 C ATOM 1047 CG LEU A 66 -3.458 7.116 -1.317 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -2.230 7.357 -2.200 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -3.354 5.746 -0.656 1.00 0.00 C ATOM 0 H LEU A 66 -1.996 10.063 -1.040 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.787 9.261 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.526 8.361 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.167 7.884 0.582 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.360 7.153 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.182 6.590 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.305 8.339 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.328 7.313 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.313 4.974 -1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.450 5.703 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.225 5.581 -0.022 1.00 0.00 H new ATOM 1061 N ASP A 67 -5.825 9.930 0.692 1.00 0.00 N ATOM 1062 CA ASP A 67 -6.515 10.731 1.742 1.00 0.00 C ATOM 1063 C ASP A 67 -7.122 9.836 2.808 1.00 0.00 C ATOM 1064 O ASP A 67 -8.215 9.337 2.654 1.00 0.00 O ATOM 1065 CB ASP A 67 -7.641 11.530 1.073 1.00 0.00 C ATOM 1066 CG ASP A 67 -8.422 12.291 2.142 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -8.061 12.126 3.297 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -9.338 12.994 1.746 1.00 0.00 O ATOM 0 H ASP A 67 -6.298 9.071 0.412 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.788 11.389 2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.226 12.226 0.345 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.306 10.859 0.529 1.00 0.00 H new ATOM 1073 N ARG A 68 -6.401 9.657 3.879 1.00 0.00 N ATOM 1074 CA ARG A 68 -6.917 8.801 4.968 1.00 0.00 C ATOM 1075 C ARG A 68 -8.234 9.345 5.506 1.00 0.00 C ATOM 1076 O ARG A 68 -9.047 8.607 6.025 1.00 0.00 O ATOM 1077 CB ARG A 68 -5.886 8.793 6.106 1.00 0.00 C ATOM 1078 CG ARG A 68 -6.115 7.558 6.982 1.00 0.00 C ATOM 1079 CD ARG A 68 -5.410 7.749 8.328 1.00 0.00 C ATOM 1080 NE ARG A 68 -6.389 7.503 9.426 1.00 0.00 N ATOM 1081 CZ ARG A 68 -7.472 8.231 9.496 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -7.536 9.338 8.805 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -8.454 7.829 10.255 1.00 0.00 N ATOM 0 H ARG A 68 -5.481 10.067 4.042 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.085 7.796 4.582 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.875 8.782 5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.979 9.700 6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.183 7.402 7.137 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.732 6.668 6.482 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.568 7.062 8.413 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.006 8.759 8.402 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.215 6.773 10.116 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.748 9.622 8.223 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.374 9.918 8.848 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.369 6.959 10.781 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.307 8.384 10.322 1.00 0.00 H new ATOM 1097 N GLU A 69 -8.422 10.632 5.374 1.00 0.00 N ATOM 1098 CA GLU A 69 -9.681 11.235 5.875 1.00 0.00 C ATOM 1099 C GLU A 69 -10.888 10.638 5.161 1.00 0.00 C ATOM 1100 O GLU A 69 -12.001 10.737 5.638 1.00 0.00 O ATOM 1101 CB GLU A 69 -9.643 12.750 5.603 1.00 0.00 C ATOM 1102 CG GLU A 69 -8.300 13.316 6.079 1.00 0.00 C ATOM 1103 CD GLU A 69 -8.333 13.481 7.600 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -9.232 12.903 8.188 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -7.457 14.178 8.088 1.00 0.00 O ATOM 0 H GLU A 69 -7.763 11.282 4.945 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.770 11.033 6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.776 12.944 4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.464 13.245 6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.488 12.648 5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.107 14.277 5.601 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.637 10.027 4.024 1.00 0.00 N ATOM 1113 CA ALA A 70 -11.750 9.409 3.247 1.00 0.00 C ATOM 1114 C ALA A 70 -11.549 7.905 3.128 1.00 0.00 C ATOM 1115 O ALA A 70 -12.482 7.137 3.257 1.00 0.00 O ATOM 1116 CB ALA A 70 -11.748 10.016 1.836 1.00 0.00 C ATOM 0 H ALA A 70 -9.711 9.933 3.606 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.694 9.601 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.556 9.577 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.893 11.094 1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.794 9.808 1.352 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.327 7.513 2.883 1.00 0.00 N ATOM 1123 CA ILE A 71 -10.030 6.065 2.749 1.00 0.00 C ATOM 1124 C ILE A 71 -8.658 5.745 3.329 1.00 0.00 C ATOM 1125 O ILE A 71 -7.656 6.268 2.885 1.00 0.00 O ATOM 1126 CB ILE A 71 -10.030 5.710 1.263 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.297 6.241 0.607 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -10.009 4.178 1.125 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -11.447 5.608 -0.780 1.00 0.00 C ATOM 0 H ILE A 71 -9.526 8.134 2.771 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.784 5.491 3.289 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.158 6.152 0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.165 6.007 1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.250 7.327 0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -10.009 3.908 0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.112 3.782 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.891 3.757 1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.353 5.984 -1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.582 5.864 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.513 4.525 -0.680 1.00 0.00 H new ATOM 1141 N ALA A 72 -8.637 4.886 4.309 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.341 4.519 4.930 1.00 0.00 C ATOM 1143 C ALA A 72 -6.707 3.328 4.218 1.00 0.00 C ATOM 1144 O ALA A 72 -5.644 2.875 4.593 1.00 0.00 O ATOM 1145 CB ALA A 72 -7.603 4.136 6.395 1.00 0.00 C ATOM 0 H ALA A 72 -9.458 4.426 4.703 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.660 5.367 4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.663 3.862 6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.043 4.984 6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.289 3.290 6.433 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.368 2.845 3.203 1.00 0.00 N ATOM 1152 CA LYS A 73 -6.816 1.684 2.457 1.00 0.00 C ATOM 1153 C LYS A 73 -7.442 1.585 1.068 1.00 0.00 C ATOM 1154 O LYS A 73 -8.645 1.472 0.934 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.140 0.409 3.245 1.00 0.00 C ATOM 1156 CG LYS A 73 -6.856 -0.811 2.368 1.00 0.00 C ATOM 1157 CD LYS A 73 -6.782 -2.055 3.254 1.00 0.00 C ATOM 1158 CE LYS A 73 -8.202 -2.520 3.585 1.00 0.00 C ATOM 1159 NZ LYS A 73 -8.924 -2.914 2.342 1.00 0.00 N ATOM 0 H LYS A 73 -8.260 3.202 2.861 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.739 1.809 2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.539 0.366 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.185 0.414 3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.640 -0.928 1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.918 -0.677 1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.236 -2.848 2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.236 -1.832 4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.164 -3.364 4.274 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.744 -1.721 4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.663 -3.608 2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.361 -2.073 1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.252 -3.336 1.670 1.00 0.00 H new ATOM 1173 N TYR A 74 -6.608 1.628 0.061 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.122 1.540 -1.332 1.00 0.00 C ATOM 1175 C TYR A 74 -6.955 0.137 -1.915 1.00 0.00 C ATOM 1176 O TYR A 74 -5.936 -0.499 -1.726 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.300 2.507 -2.201 1.00 0.00 C ATOM 1178 CG TYR A 74 -6.714 3.952 -1.914 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.630 4.468 -0.637 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.161 4.765 -2.936 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -6.985 5.776 -0.386 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.515 6.073 -2.685 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.430 6.589 -1.409 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.782 7.900 -1.158 1.00 0.00 O ATOM 0 H TYR A 74 -5.596 1.720 0.146 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.184 1.787 -1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.237 2.378 -1.997 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.452 2.279 -3.256 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.283 3.842 0.172 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.234 4.373 -3.940 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.915 6.168 0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.862 6.699 -3.494 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.071 8.326 -1.992 1.00 0.00 H new ATOM 1194 N ILE A 75 -7.970 -0.310 -2.619 1.00 0.00 N ATOM 1195 CA ILE A 75 -7.916 -1.667 -3.241 1.00 0.00 C ATOM 1196 C ILE A 75 -7.839 -1.514 -4.754 1.00 0.00 C ATOM 1197 O ILE A 75 -8.802 -1.124 -5.383 1.00 0.00 O ATOM 1198 CB ILE A 75 -9.195 -2.426 -2.884 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -9.304 -2.571 -1.373 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -9.120 -3.832 -3.503 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -10.669 -3.170 -1.025 1.00 0.00 C ATOM 0 H ILE A 75 -8.832 0.209 -2.788 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.044 -2.211 -2.876 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.059 -1.881 -3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.506 -3.211 -0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.186 -1.600 -0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.026 -4.387 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.028 -3.748 -4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.253 -4.359 -3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.754 -3.277 0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.458 -2.512 -1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.768 -4.148 -1.495 1.00 0.00 H new ATOM 1213 N LEU A 76 -6.698 -1.832 -5.310 1.00 0.00 N ATOM 1214 CA LEU A 76 -6.533 -1.706 -6.794 1.00 0.00 C ATOM 1215 C LEU A 76 -6.434 -3.067 -7.474 1.00 0.00 C ATOM 1216 O LEU A 76 -5.765 -3.948 -6.991 1.00 0.00 O ATOM 1217 CB LEU A 76 -5.212 -0.943 -7.039 1.00 0.00 C ATOM 1218 CG LEU A 76 -5.410 0.142 -8.106 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -6.552 1.064 -7.696 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -4.125 0.968 -8.216 1.00 0.00 C ATOM 0 H LEU A 76 -5.878 -2.171 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.399 -1.189 -7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.869 -0.489 -6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.437 -1.639 -7.359 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.644 -0.326 -9.062 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.690 1.833 -8.456 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.470 0.484 -7.596 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.315 1.535 -6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.254 1.743 -8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.907 1.432 -7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.298 0.318 -8.500 1.00 0.00 H new ATOM 1232 N TYR A 77 -7.106 -3.208 -8.596 1.00 0.00 N ATOM 1233 CA TYR A 77 -7.058 -4.507 -9.324 1.00 0.00 C ATOM 1234 C TYR A 77 -6.059 -4.391 -10.453 1.00 0.00 C ATOM 1235 O TYR A 77 -5.891 -3.319 -11.005 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.449 -4.804 -9.907 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.339 -5.382 -8.807 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -9.825 -4.572 -7.802 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -9.665 -6.725 -8.801 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -10.621 -5.094 -6.804 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -10.462 -7.247 -7.804 1.00 0.00 C ATOM 1242 CZ TYR A 77 -10.947 -6.436 -6.797 1.00 0.00 C ATOM 1243 OH TYR A 77 -11.743 -6.958 -5.797 1.00 0.00 O ATOM 0 H TYR A 77 -7.678 -2.484 -9.030 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.764 -5.309 -8.647 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.891 -3.892 -10.308 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.367 -5.509 -10.734 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.580 -3.520 -7.797 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.293 -7.370 -9.583 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.992 -4.448 -6.022 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.709 -8.298 -7.811 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.872 -7.917 -5.949 1.00 0.00 H new ATOM 1253 N SER A 78 -5.403 -5.480 -10.790 1.00 0.00 N ATOM 1254 CA SER A 78 -4.405 -5.393 -11.901 1.00 0.00 C ATOM 1255 C SER A 78 -4.450 -6.583 -12.857 1.00 0.00 C ATOM 1256 O SER A 78 -4.943 -7.652 -12.533 1.00 0.00 O ATOM 1257 CB SER A 78 -3.007 -5.334 -11.271 1.00 0.00 C ATOM 1258 OG SER A 78 -2.705 -6.688 -10.969 1.00 0.00 O ATOM 0 H SER A 78 -5.512 -6.397 -10.358 1.00 0.00 H new ATOM 0 HA SER A 78 -4.643 -4.505 -12.487 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.278 -4.907 -11.959 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.000 -4.715 -10.374 1.00 0.00 H new ATOM 0 HG SER A 78 -1.816 -6.741 -10.559 1.00 0.00 H new ATOM 1264 N HIS A 79 -3.917 -6.342 -14.034 1.00 0.00 N ATOM 1265 CA HIS A 79 -3.869 -7.381 -15.092 1.00 0.00 C ATOM 1266 C HIS A 79 -2.425 -7.501 -15.589 1.00 0.00 C ATOM 1267 O HIS A 79 -1.687 -6.537 -15.535 1.00 0.00 O ATOM 1268 CB HIS A 79 -4.770 -6.929 -16.257 1.00 0.00 C ATOM 1269 CG HIS A 79 -5.940 -6.114 -15.701 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -7.145 -6.426 -15.813 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -5.932 -4.928 -14.991 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -7.900 -5.574 -15.252 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.213 -4.575 -14.697 1.00 0.00 N ATOM 0 H HIS A 79 -3.507 -5.447 -14.302 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.211 -8.342 -14.706 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.197 -6.329 -16.964 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.142 -7.796 -16.803 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.480 -7.260 -16.295 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.050 -4.370 -14.714 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.977 -5.650 -15.227 1.00 0.00 H new ATOM 1281 N ALA A 80 -2.038 -8.672 -16.063 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.623 -8.831 -16.556 1.00 0.00 C ATOM 1283 C ALA A 80 -0.532 -9.450 -17.958 1.00 0.00 C ATOM 1284 O ALA A 80 -1.317 -10.302 -18.334 1.00 0.00 O ATOM 1285 CB ALA A 80 0.116 -9.752 -15.569 1.00 0.00 C ATOM 0 H ALA A 80 -2.624 -9.504 -16.129 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.180 -7.837 -16.617 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.146 -9.887 -15.899 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.109 -9.302 -14.576 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.383 -10.720 -15.532 1.00 0.00 H new ATOM 1291 N VAL A 81 0.455 -9.004 -18.702 1.00 0.00 N ATOM 1292 CA VAL A 81 0.642 -9.540 -20.086 1.00 0.00 C ATOM 1293 C VAL A 81 2.121 -9.745 -20.372 1.00 0.00 C ATOM 1294 O VAL A 81 2.915 -8.866 -20.153 1.00 0.00 O ATOM 1295 CB VAL A 81 0.091 -8.522 -21.102 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -1.379 -8.830 -21.384 1.00 0.00 C ATOM 1297 CG2 VAL A 81 0.211 -7.107 -20.531 1.00 0.00 C ATOM 0 H VAL A 81 1.132 -8.298 -18.412 1.00 0.00 H new ATOM 0 HA VAL A 81 0.115 -10.491 -20.169 1.00 0.00 H new ATOM 0 HB VAL A 81 0.664 -8.590 -22.027 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.770 -8.110 -22.103 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.468 -9.836 -21.793 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.949 -8.763 -20.457 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.180 -6.389 -21.252 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.360 -7.039 -19.605 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.259 -6.884 -20.328 1.00 0.00 H new ATOM 1307 N SER A 82 2.470 -10.892 -20.870 1.00 0.00 N ATOM 1308 CA SER A 82 3.907 -11.129 -21.160 1.00 0.00 C ATOM 1309 C SER A 82 4.436 -10.106 -22.159 1.00 0.00 C ATOM 1310 O SER A 82 3.824 -9.850 -23.176 1.00 0.00 O ATOM 1311 CB SER A 82 4.073 -12.527 -21.751 1.00 0.00 C ATOM 1312 OG SER A 82 3.386 -12.463 -22.990 1.00 0.00 O ATOM 0 H SER A 82 1.838 -11.663 -21.086 1.00 0.00 H new ATOM 0 HA SER A 82 4.469 -11.036 -20.231 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.124 -12.778 -21.891 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.647 -13.289 -21.098 1.00 0.00 H new ATOM 0 HG SER A 82 2.471 -12.146 -22.841 1.00 0.00 H new ATOM 1318 N SER A 83 5.572 -9.541 -21.849 1.00 0.00 N ATOM 1319 CA SER A 83 6.160 -8.530 -22.766 1.00 0.00 C ATOM 1320 C SER A 83 6.362 -9.094 -24.162 1.00 0.00 C ATOM 1321 O SER A 83 6.878 -8.419 -25.029 1.00 0.00 O ATOM 1322 CB SER A 83 7.533 -8.117 -22.217 1.00 0.00 C ATOM 1323 OG SER A 83 7.396 -8.230 -20.808 1.00 0.00 O ATOM 0 H SER A 83 6.113 -9.736 -21.006 1.00 0.00 H new ATOM 0 HA SER A 83 5.476 -7.683 -22.826 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.324 -8.766 -22.593 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.789 -7.099 -22.511 1.00 0.00 H new ATOM 0 HG SER A 83 7.247 -7.342 -20.422 1.00 0.00 H new ATOM 1329 N ASN A 84 5.949 -10.320 -24.360 1.00 0.00 N ATOM 1330 CA ASN A 84 6.116 -10.934 -25.705 1.00 0.00 C ATOM 1331 C ASN A 84 4.827 -10.856 -26.517 1.00 0.00 C ATOM 1332 O ASN A 84 4.859 -10.917 -27.730 1.00 0.00 O ATOM 1333 CB ASN A 84 6.514 -12.415 -25.525 1.00 0.00 C ATOM 1334 CG ASN A 84 5.413 -13.170 -24.774 1.00 0.00 C ATOM 1335 OD1 ASN A 84 4.170 -13.019 -25.140 1.00 0.00 O flip ATOM 1336 ND2 ASN A 84 5.679 -13.916 -23.854 1.00 0.00 N flip ATOM 0 H ASN A 84 5.509 -10.913 -23.656 1.00 0.00 H new ATOM 0 HA ASN A 84 6.889 -10.387 -26.244 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.682 -12.875 -26.499 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.452 -12.483 -24.975 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.648 -14.040 -23.562 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.933 -14.419 -23.373 1.00 0.00 H new ATOM 1343 N GLY A 85 3.715 -10.718 -25.828 1.00 0.00 N ATOM 1344 CA GLY A 85 2.400 -10.631 -26.545 1.00 0.00 C ATOM 1345 C GLY A 85 1.444 -11.735 -26.072 1.00 0.00 C ATOM 1346 O GLY A 85 0.382 -11.910 -26.636 1.00 0.00 O ATOM 0 H GLY A 85 3.661 -10.662 -24.811 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.949 -9.654 -26.369 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.561 -10.719 -27.619 1.00 0.00 H new ATOM 1350 N GLU A 86 1.838 -12.452 -25.043 1.00 0.00 N ATOM 1351 CA GLU A 86 0.957 -13.542 -24.529 1.00 0.00 C ATOM 1352 C GLU A 86 0.194 -13.084 -23.297 1.00 0.00 C ATOM 1353 O GLU A 86 0.759 -12.511 -22.384 1.00 0.00 O ATOM 1354 CB GLU A 86 1.829 -14.760 -24.165 1.00 0.00 C ATOM 1355 CG GLU A 86 2.567 -15.242 -25.420 1.00 0.00 C ATOM 1356 CD GLU A 86 1.753 -16.351 -26.092 1.00 0.00 C ATOM 1357 OE1 GLU A 86 1.273 -17.193 -25.351 1.00 0.00 O ATOM 1358 OE2 GLU A 86 1.659 -16.293 -27.306 1.00 0.00 O ATOM 0 H GLU A 86 2.720 -12.329 -24.546 1.00 0.00 H new ATOM 0 HA GLU A 86 0.237 -13.808 -25.303 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.545 -14.491 -23.388 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.208 -15.561 -23.763 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.712 -14.412 -26.111 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.557 -15.612 -25.154 1.00 0.00 H new ATOM 1365 N ALA A 87 -1.082 -13.345 -23.299 1.00 0.00 N ATOM 1366 CA ALA A 87 -1.916 -12.939 -22.148 1.00 0.00 C ATOM 1367 C ALA A 87 -1.613 -13.770 -20.911 1.00 0.00 C ATOM 1368 O ALA A 87 -1.719 -14.981 -20.931 1.00 0.00 O ATOM 1369 CB ALA A 87 -3.392 -13.147 -22.527 1.00 0.00 C ATOM 0 H ALA A 87 -1.579 -13.822 -24.051 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.702 -11.895 -21.917 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.027 -12.853 -21.691 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.633 -12.537 -23.398 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.563 -14.198 -22.761 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.235 -13.096 -19.855 1.00 0.00 N ATOM 1376 CA VAL A 88 -0.922 -13.808 -18.598 1.00 0.00 C ATOM 1377 C VAL A 88 -1.528 -13.040 -17.439 1.00 0.00 C ATOM 1378 O VAL A 88 -1.081 -13.136 -16.318 1.00 0.00 O ATOM 1379 CB VAL A 88 0.614 -13.881 -18.422 1.00 0.00 C ATOM 1380 CG1 VAL A 88 1.268 -14.159 -19.776 1.00 0.00 C ATOM 1381 CG2 VAL A 88 1.135 -12.551 -17.881 1.00 0.00 C ATOM 0 H VAL A 88 -1.132 -12.082 -19.817 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.331 -14.818 -18.628 1.00 0.00 H new ATOM 0 HB VAL A 88 0.857 -14.680 -17.722 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.350 -14.211 -19.654 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.902 -15.107 -20.169 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.019 -13.357 -20.472 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.217 -12.607 -17.759 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.890 -11.752 -18.581 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.671 -12.344 -16.917 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.561 -12.291 -17.742 1.00 0.00 N ATOM 1392 CA GLU A 89 -3.225 -11.500 -16.683 1.00 0.00 C ATOM 1393 C GLU A 89 -4.146 -12.358 -15.849 1.00 0.00 C ATOM 1394 O GLU A 89 -4.558 -13.426 -16.258 1.00 0.00 O ATOM 1395 CB GLU A 89 -4.086 -10.403 -17.343 1.00 0.00 C ATOM 1396 CG GLU A 89 -5.006 -11.045 -18.385 1.00 0.00 C ATOM 1397 CD GLU A 89 -6.358 -11.364 -17.739 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -6.377 -11.412 -16.521 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -7.293 -11.545 -18.501 1.00 0.00 O ATOM 0 H GLU A 89 -2.964 -12.200 -18.674 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.449 -11.077 -16.045 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.677 -9.885 -16.588 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.447 -9.657 -17.815 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.144 -10.370 -19.230 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.552 -11.956 -18.775 1.00 0.00 H new ATOM 1406 N ASP A 90 -4.450 -11.870 -14.689 1.00 0.00 N ATOM 1407 CA ASP A 90 -5.340 -12.612 -13.788 1.00 0.00 C ATOM 1408 C ASP A 90 -5.918 -11.649 -12.750 1.00 0.00 C ATOM 1409 O ASP A 90 -5.261 -10.711 -12.343 1.00 0.00 O ATOM 1410 CB ASP A 90 -4.515 -13.692 -13.074 1.00 0.00 C ATOM 1411 CG ASP A 90 -4.329 -14.886 -14.014 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -5.289 -15.626 -14.146 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -3.236 -14.989 -14.549 1.00 0.00 O ATOM 0 H ASP A 90 -4.113 -10.978 -14.327 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.153 -13.070 -14.351 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.545 -13.291 -12.780 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.020 -14.008 -12.161 1.00 0.00 H new ATOM 1418 N PRO A 91 -7.139 -11.890 -12.334 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.776 -11.032 -11.351 1.00 0.00 C ATOM 1420 C PRO A 91 -6.914 -10.904 -10.087 1.00 0.00 C ATOM 1421 O PRO A 91 -7.075 -11.646 -9.137 1.00 0.00 O ATOM 1422 CB PRO A 91 -9.126 -11.727 -11.032 1.00 0.00 C ATOM 1423 CG PRO A 91 -9.200 -13.014 -11.914 1.00 0.00 C ATOM 1424 CD PRO A 91 -7.941 -13.030 -12.797 1.00 0.00 C ATOM 0 HA PRO A 91 -7.914 -10.017 -11.725 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.188 -11.981 -9.974 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.962 -11.062 -11.249 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.244 -13.907 -11.290 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.101 -13.009 -12.528 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.395 -13.967 -12.689 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.197 -12.930 -13.852 1.00 0.00 H new ATOM 1432 N MET A 92 -5.996 -9.961 -10.115 1.00 0.00 N ATOM 1433 CA MET A 92 -5.111 -9.757 -8.936 1.00 0.00 C ATOM 1434 C MET A 92 -5.549 -8.533 -8.155 1.00 0.00 C ATOM 1435 O MET A 92 -5.653 -7.449 -8.705 1.00 0.00 O ATOM 1436 CB MET A 92 -3.676 -9.541 -9.431 1.00 0.00 C ATOM 1437 CG MET A 92 -2.936 -10.879 -9.402 1.00 0.00 C ATOM 1438 SD MET A 92 -3.490 -12.159 -10.556 1.00 0.00 S ATOM 1439 CE MET A 92 -3.499 -13.540 -9.384 1.00 0.00 C ATOM 0 H MET A 92 -5.828 -9.332 -10.900 1.00 0.00 H new ATOM 0 HA MET A 92 -5.168 -10.632 -8.288 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.683 -9.136 -10.443 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.165 -8.814 -8.800 1.00 0.00 H new ATOM 0 HG2 MET A 92 -1.881 -10.685 -9.594 1.00 0.00 H new ATOM 0 HG3 MET A 92 -3.007 -11.282 -8.392 1.00 0.00 H new ATOM 0 HE1 MET A 92 -3.817 -14.449 -9.895 1.00 0.00 H new ATOM 0 HE2 MET A 92 -2.496 -13.682 -8.982 1.00 0.00 H new ATOM 0 HE3 MET A 92 -4.189 -13.321 -8.569 1.00 0.00 H new ATOM 1449 N GLU A 93 -5.795 -8.726 -6.883 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.231 -7.588 -6.037 1.00 0.00 C ATOM 1451 C GLU A 93 -5.085 -7.048 -5.190 1.00 0.00 C ATOM 1452 O GLU A 93 -4.631 -7.687 -4.262 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.348 -8.080 -5.106 1.00 0.00 C ATOM 1454 CG GLU A 93 -7.245 -9.602 -4.934 1.00 0.00 C ATOM 1455 CD GLU A 93 -5.916 -9.952 -4.258 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -5.836 -9.709 -3.064 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -5.058 -10.443 -4.973 1.00 0.00 O ATOM 0 H GLU A 93 -5.711 -9.621 -6.401 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.580 -6.785 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.269 -7.589 -4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.322 -7.816 -5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.078 -9.968 -4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.312 -10.094 -5.905 1.00 0.00 H new ATOM 1464 N ILE A 94 -4.642 -5.872 -5.530 1.00 0.00 N ATOM 1465 CA ILE A 94 -3.531 -5.252 -4.773 1.00 0.00 C ATOM 1466 C ILE A 94 -4.072 -4.426 -3.607 1.00 0.00 C ATOM 1467 O ILE A 94 -4.904 -3.549 -3.799 1.00 0.00 O ATOM 1468 CB ILE A 94 -2.768 -4.326 -5.730 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -1.658 -5.105 -6.418 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.132 -3.173 -4.923 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.115 -4.278 -7.583 1.00 0.00 C ATOM 0 H ILE A 94 -5.005 -5.314 -6.303 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.880 -6.030 -4.374 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.459 -3.930 -6.474 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.860 -5.327 -5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.038 -6.061 -6.780 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.589 -2.512 -5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.915 -2.609 -4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.443 -3.583 -4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.318 -4.830 -8.081 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.918 -4.079 -8.293 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.721 -3.334 -7.207 1.00 0.00 H new ATOM 1483 N VAL A 95 -3.588 -4.715 -2.419 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.058 -3.961 -1.231 1.00 0.00 C ATOM 1485 C VAL A 95 -3.055 -2.884 -0.862 1.00 0.00 C ATOM 1486 O VAL A 95 -1.897 -3.169 -0.637 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.190 -4.940 -0.056 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -4.820 -4.217 1.135 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -5.089 -6.103 -0.472 1.00 0.00 C ATOM 0 H VAL A 95 -2.893 -5.437 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.016 -3.492 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.206 -5.316 0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.916 -4.909 1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.188 -3.379 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.807 -3.847 0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.187 -6.802 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.074 -5.723 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.649 -6.615 -1.328 1.00 0.00 H new ATOM 1499 N ILE A 96 -3.525 -1.662 -0.810 1.00 0.00 N ATOM 1500 CA ILE A 96 -2.623 -0.534 -0.457 1.00 0.00 C ATOM 1501 C ILE A 96 -3.137 0.215 0.766 1.00 0.00 C ATOM 1502 O ILE A 96 -4.246 0.703 0.776 1.00 0.00 O ATOM 1503 CB ILE A 96 -2.590 0.427 -1.640 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.115 -0.304 -2.884 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -1.598 1.549 -1.330 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -2.522 0.496 -4.123 1.00 0.00 C ATOM 0 H ILE A 96 -4.493 -1.402 -0.997 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.631 -0.925 -0.230 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.589 0.829 -1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.033 -0.429 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.550 -1.303 -2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.563 2.245 -2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.916 2.078 -0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.607 1.124 -1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.184 -0.024 -5.019 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.607 0.598 -4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.066 1.485 -4.083 1.00 0.00 H new ATOM 1518 N THR A 97 -2.315 0.291 1.780 1.00 0.00 N ATOM 1519 CA THR A 97 -2.735 1.003 3.010 1.00 0.00 C ATOM 1520 C THR A 97 -2.255 2.448 2.980 1.00 0.00 C ATOM 1521 O THR A 97 -1.191 2.740 2.464 1.00 0.00 O ATOM 1522 CB THR A 97 -2.113 0.289 4.221 1.00 0.00 C ATOM 1523 OG1 THR A 97 -2.591 0.986 5.353 1.00 0.00 O ATOM 1524 CG2 THR A 97 -0.589 0.489 4.263 1.00 0.00 C ATOM 0 H THR A 97 -1.377 -0.109 1.804 1.00 0.00 H new ATOM 0 HA THR A 97 -3.823 0.999 3.077 1.00 0.00 H new ATOM 0 HB THR A 97 -2.355 -0.773 4.181 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.229 0.576 6.166 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.178 -0.028 5.130 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.144 0.084 3.355 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.363 1.553 4.334 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.050 3.329 3.529 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.653 4.763 3.540 1.00 0.00 C ATOM 1534 C VAL A 98 -1.963 5.134 4.850 1.00 0.00 C ATOM 1535 O VAL A 98 -2.356 4.680 5.907 1.00 0.00 O ATOM 1536 CB VAL A 98 -3.919 5.617 3.390 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -3.517 7.087 3.259 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.670 5.187 2.128 1.00 0.00 C ATOM 0 H VAL A 98 -3.948 3.118 3.965 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.957 4.942 2.721 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.560 5.485 4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.411 7.701 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.970 7.395 4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.883 7.214 2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.571 5.791 2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.029 5.328 1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.946 4.136 2.209 1.00 0.00 H new ATOM 1548 N THR A 99 -0.944 5.961 4.748 1.00 0.00 N ATOM 1549 CA THR A 99 -0.201 6.386 5.972 1.00 0.00 C ATOM 1550 C THR A 99 -0.415 7.870 6.253 1.00 0.00 C ATOM 1551 O THR A 99 -0.370 8.687 5.355 1.00 0.00 O ATOM 1552 CB THR A 99 1.294 6.148 5.731 1.00 0.00 C ATOM 1553 OG1 THR A 99 1.498 6.407 4.357 1.00 0.00 O ATOM 1554 CG2 THR A 99 1.649 4.663 5.902 1.00 0.00 C ATOM 0 H THR A 99 -0.600 6.355 3.873 1.00 0.00 H new ATOM 0 HA THR A 99 -0.564 5.812 6.825 1.00 0.00 H new ATOM 0 HB THR A 99 1.879 6.760 6.417 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.443 6.273 4.136 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.715 4.521 5.726 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.403 4.344 6.915 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.081 4.068 5.187 1.00 0.00 H new