USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 906 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 107 LYS NZ :NH3+ -161:sc= 1.11 (180deg=-0.787) USER MOD Set 1.2: A 108 ASN : amide:sc= 0.164 K(o=1.3,f=-14!) USER MOD Set 2.1: A 63 GLN :FLIP amide:sc= -2.85! C(o=-5.9!,f=-2.1!) USER MOD Set 2.2: A 90 SER OG : rot 76:sc= 0.739 USER MOD Single : A 3 THR OG1 : rot 39:sc= 0.305 USER MOD Single : A 10 ASN : amide:sc= -0.01 K(o=-0.01,f=-0.66) USER MOD Single : A 11 THR OG1 : rot 90:sc= -0.182 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00117 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= -2.16! (180deg=-2.57!) USER MOD Single : A 25 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.5) USER MOD Single : A 31 GLN :FLIP amide:sc= -3.8! C(o=-9.3!,f=-3.8!) USER MOD Single : A 32 SER OG : rot 61:sc= -0.424 USER MOD Single : A 37 THR OG1 : rot 133:sc= 1.5 USER MOD Single : A 42 ASN : amide:sc= -7.17! C(o=-7.2!,f=-7.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0909 K(o=-0.091,f=-1.4!) USER MOD Single : A 60 ASN : amide:sc= 0.956 K(o=0.96,f=-2.6!) USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= -0.0124 (180deg=-0.14) USER MOD Single : A 70 TYR OH : rot -133:sc= 1.25 USER MOD Single : A 71 HIS : +bothHN:sc= 0.839 K(o=0.84,f=-10!) USER MOD Single : A 77 TYR OH : rot 110:sc= 0.523 USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 1.31 (180deg=1.28) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.049) USER MOD Single : A 85 MET CE :methyl 160:sc= -0.172 (180deg=-0.725) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 133:sc= 1.17 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.088 USER MOD Single : A 99 HIS : no HD1:sc=-0.00579 X(o=-0.0058,f=-0.02) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot -62:sc= 1.27 USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 HIS : +bothHN:sc= -0.394 K(o=-0.39,f=-7.8!) USER MOD Single : A 128 THR OG1 : rot 1:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 -15.827 9.868 -3.826 1.00 0.00 N ATOM 31 CA THR A 3 -14.518 9.252 -3.927 1.00 0.00 C ATOM 32 C THR A 3 -14.673 7.781 -4.323 1.00 0.00 C ATOM 33 O THR A 3 -15.709 7.183 -4.030 1.00 0.00 O ATOM 34 CB THR A 3 -13.782 9.346 -2.577 1.00 0.00 C ATOM 35 OG1 THR A 3 -13.916 10.671 -2.054 1.00 0.00 O ATOM 36 CG2 THR A 3 -12.308 9.003 -2.718 1.00 0.00 C ATOM 0 HA THR A 3 -13.937 9.776 -4.686 1.00 0.00 H new ATOM 0 HB THR A 3 -14.232 8.624 -1.895 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.818 11.007 -2.241 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.822 9.080 -1.745 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.206 7.985 -3.095 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.838 9.697 -3.415 1.00 0.00 H new ATOM 44 N ILE A 4 -13.679 7.204 -4.992 1.00 0.00 N ATOM 45 CA ILE A 4 -13.747 5.795 -5.392 1.00 0.00 C ATOM 46 C ILE A 4 -14.141 4.918 -4.200 1.00 0.00 C ATOM 47 O ILE A 4 -14.983 4.022 -4.309 1.00 0.00 O ATOM 48 CB ILE A 4 -12.406 5.277 -5.969 1.00 0.00 C ATOM 49 CG1 ILE A 4 -11.853 6.227 -7.038 1.00 0.00 C ATOM 50 CG2 ILE A 4 -12.593 3.887 -6.558 1.00 0.00 C ATOM 51 CD1 ILE A 4 -10.828 7.215 -6.514 1.00 0.00 C ATOM 0 H ILE A 4 -12.822 7.683 -5.269 1.00 0.00 H new ATOM 0 HA ILE A 4 -14.503 5.733 -6.175 1.00 0.00 H new ATOM 0 HB ILE A 4 -11.686 5.231 -5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -11.400 5.637 -7.835 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -12.681 6.779 -7.482 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -11.644 3.532 -6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -12.935 3.205 -5.779 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -13.334 3.927 -7.356 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.485 7.851 -7.330 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -11.281 7.832 -5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.980 6.672 -6.096 1.00 0.00 H new ATOM 63 N VAL A 5 -13.551 5.226 -3.055 1.00 0.00 N ATOM 64 CA VAL A 5 -13.810 4.508 -1.819 1.00 0.00 C ATOM 65 C VAL A 5 -15.170 4.890 -1.234 1.00 0.00 C ATOM 66 O VAL A 5 -15.865 4.061 -0.657 1.00 0.00 O ATOM 67 CB VAL A 5 -12.708 4.791 -0.776 1.00 0.00 C ATOM 68 CG1 VAL A 5 -12.419 6.279 -0.663 1.00 0.00 C ATOM 69 CG2 VAL A 5 -13.108 4.226 0.562 1.00 0.00 C ATOM 0 H VAL A 5 -12.876 5.985 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.813 3.444 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.792 4.303 -1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.638 6.443 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.086 6.659 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.325 6.804 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.325 4.430 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -14.039 4.690 0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.250 3.149 0.474 1.00 0.00 H new ATOM 79 N ASP A 6 -15.529 6.156 -1.379 1.00 0.00 N ATOM 80 CA ASP A 6 -16.819 6.664 -0.909 1.00 0.00 C ATOM 81 C ASP A 6 -17.945 5.806 -1.445 1.00 0.00 C ATOM 82 O ASP A 6 -18.838 5.378 -0.712 1.00 0.00 O ATOM 83 CB ASP A 6 -17.032 8.097 -1.388 1.00 0.00 C ATOM 84 CG ASP A 6 -18.285 8.727 -0.814 1.00 0.00 C ATOM 85 OD1 ASP A 6 -19.363 8.594 -1.431 1.00 0.00 O ATOM 86 OD2 ASP A 6 -18.201 9.356 0.255 1.00 0.00 O1- ATOM 0 H ASP A 6 -14.941 6.862 -1.823 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.817 6.636 0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.168 8.700 -1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.092 8.107 -2.476 1.00 0.00 H new ATOM 91 N ILE A 7 -17.874 5.567 -2.742 1.00 0.00 N ATOM 92 CA ILE A 7 -18.837 4.735 -3.443 1.00 0.00 C ATOM 93 C ILE A 7 -18.929 3.328 -2.844 1.00 0.00 C ATOM 94 O ILE A 7 -19.931 2.657 -3.010 1.00 0.00 O ATOM 95 CB ILE A 7 -18.487 4.636 -4.936 1.00 0.00 C ATOM 96 CG1 ILE A 7 -18.297 6.045 -5.491 1.00 0.00 C ATOM 97 CG2 ILE A 7 -19.591 3.905 -5.702 1.00 0.00 C ATOM 98 CD1 ILE A 7 -17.394 6.110 -6.700 1.00 0.00 C ATOM 0 H ILE A 7 -17.142 5.947 -3.343 1.00 0.00 H new ATOM 0 HA ILE A 7 -19.809 5.215 -3.328 1.00 0.00 H new ATOM 0 HB ILE A 7 -17.565 4.067 -5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -19.272 6.455 -5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -17.885 6.681 -4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -19.324 3.846 -6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -19.708 2.899 -5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -20.529 4.449 -5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -17.309 7.144 -7.035 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -16.406 5.731 -6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -17.814 5.502 -7.501 1.00 0.00 H new ATOM 110 N ALA A 8 -17.896 2.881 -2.138 1.00 0.00 N ATOM 111 CA ALA A 8 -17.932 1.567 -1.500 1.00 0.00 C ATOM 112 C ALA A 8 -19.012 1.528 -0.417 1.00 0.00 C ATOM 113 O ALA A 8 -19.703 0.528 -0.247 1.00 0.00 O ATOM 114 CB ALA A 8 -16.571 1.207 -0.919 1.00 0.00 C ATOM 0 H ALA A 8 -17.031 3.402 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 8 -18.179 0.825 -2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -16.624 0.225 -0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -15.828 1.189 -1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.285 1.950 -0.174 1.00 0.00 H new ATOM 120 N VAL A 9 -19.161 2.630 0.308 1.00 0.00 N ATOM 121 CA VAL A 9 -20.247 2.770 1.279 1.00 0.00 C ATOM 122 C VAL A 9 -21.585 2.941 0.552 1.00 0.00 C ATOM 123 O VAL A 9 -22.659 2.728 1.115 1.00 0.00 O ATOM 124 CB VAL A 9 -20.013 3.987 2.204 1.00 0.00 C ATOM 125 CG1 VAL A 9 -21.029 4.025 3.338 1.00 0.00 C ATOM 126 CG2 VAL A 9 -18.597 3.980 2.754 1.00 0.00 C ATOM 0 H VAL A 9 -18.546 3.441 0.244 1.00 0.00 H new ATOM 0 HA VAL A 9 -20.270 1.866 1.887 1.00 0.00 H new ATOM 0 HB VAL A 9 -20.147 4.888 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -20.837 4.892 3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.035 4.094 2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -20.944 3.116 3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -18.454 4.845 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -18.433 3.067 3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -17.886 4.024 1.929 1.00 0.00 H new ATOM 136 N ASN A 10 -21.497 3.309 -0.716 1.00 0.00 N ATOM 137 CA ASN A 10 -22.668 3.626 -1.526 1.00 0.00 C ATOM 138 C ASN A 10 -23.127 2.429 -2.354 1.00 0.00 C ATOM 139 O ASN A 10 -24.299 2.326 -2.720 1.00 0.00 O ATOM 140 CB ASN A 10 -22.319 4.776 -2.448 1.00 0.00 C ATOM 141 CG ASN A 10 -23.428 5.204 -3.361 1.00 0.00 C ATOM 142 OD1 ASN A 10 -24.613 5.055 -3.063 1.00 0.00 O ATOM 143 ND2 ASN A 10 -23.037 5.770 -4.479 1.00 0.00 N ATOM 0 H ASN A 10 -20.612 3.397 -1.216 1.00 0.00 H new ATOM 0 HA ASN A 10 -23.487 3.897 -0.860 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -22.015 5.630 -1.843 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -21.458 4.491 -3.053 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -23.728 6.110 -5.147 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -22.042 5.870 -4.679 1.00 0.00 H new ATOM 150 N THR A 11 -22.199 1.531 -2.644 1.00 0.00 N ATOM 151 CA THR A 11 -22.472 0.397 -3.509 1.00 0.00 C ATOM 152 C THR A 11 -23.593 -0.479 -2.966 1.00 0.00 C ATOM 153 O THR A 11 -23.579 -0.858 -1.791 1.00 0.00 O ATOM 154 CB THR A 11 -21.231 -0.478 -3.731 1.00 0.00 C ATOM 155 OG1 THR A 11 -20.496 -0.634 -2.515 1.00 0.00 O ATOM 156 CG2 THR A 11 -20.339 0.107 -4.813 1.00 0.00 C ATOM 0 H THR A 11 -21.243 1.568 -2.289 1.00 0.00 H new ATOM 0 HA THR A 11 -22.779 0.827 -4.462 1.00 0.00 H new ATOM 0 HB THR A 11 -21.571 -1.460 -4.060 1.00 0.00 H new ATOM 0 HG1 THR A 11 -20.823 -1.422 -2.034 1.00 0.00 H new ATOM 0 HG21 THR A 11 -19.467 -0.532 -4.951 1.00 0.00 H new ATOM 0 HG22 THR A 11 -20.895 0.169 -5.749 1.00 0.00 H new ATOM 0 HG23 THR A 11 -20.015 1.105 -4.517 1.00 0.00 H new ATOM 164 N PRO A 12 -24.582 -0.810 -3.809 1.00 0.00 N ATOM 165 CA PRO A 12 -25.678 -1.694 -3.434 1.00 0.00 C ATOM 166 C PRO A 12 -25.259 -3.157 -3.430 1.00 0.00 C ATOM 167 O PRO A 12 -25.727 -3.955 -4.245 1.00 0.00 O ATOM 168 CB PRO A 12 -26.742 -1.445 -4.518 1.00 0.00 C ATOM 169 CG PRO A 12 -26.222 -0.321 -5.351 1.00 0.00 C ATOM 170 CD PRO A 12 -24.738 -0.340 -5.189 1.00 0.00 C ATOM 0 HA PRO A 12 -26.032 -1.491 -2.423 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -26.900 -2.338 -5.122 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -27.702 -1.188 -4.071 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -26.502 -0.449 -6.397 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -26.638 0.632 -5.024 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -24.259 -1.010 -5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -24.300 0.647 -5.335 1.00 0.00 H new ATOM 178 N GLY A 13 -24.360 -3.497 -2.522 1.00 0.00 N ATOM 179 CA GLY A 13 -23.930 -4.872 -2.390 1.00 0.00 C ATOM 180 C GLY A 13 -23.004 -5.291 -3.509 1.00 0.00 C ATOM 181 O GLY A 13 -23.195 -6.345 -4.115 1.00 0.00 O ATOM 0 H GLY A 13 -23.920 -2.845 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -23.423 -5.002 -1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -24.803 -5.524 -2.380 1.00 0.00 H new ATOM 185 N PHE A 14 -22.018 -4.450 -3.803 1.00 0.00 N ATOM 186 CA PHE A 14 -21.021 -4.760 -4.832 1.00 0.00 C ATOM 187 C PHE A 14 -20.189 -5.983 -4.455 1.00 0.00 C ATOM 188 O PHE A 14 -20.448 -6.643 -3.444 1.00 0.00 O ATOM 189 CB PHE A 14 -20.076 -3.577 -5.052 1.00 0.00 C ATOM 190 CG PHE A 14 -19.824 -3.259 -6.498 1.00 0.00 C ATOM 191 CD1 PHE A 14 -20.850 -2.791 -7.305 1.00 0.00 C ATOM 192 CD2 PHE A 14 -18.564 -3.417 -7.047 1.00 0.00 C ATOM 193 CE1 PHE A 14 -20.621 -2.488 -8.633 1.00 0.00 C ATOM 194 CE2 PHE A 14 -18.329 -3.117 -8.374 1.00 0.00 C ATOM 195 CZ PHE A 14 -19.358 -2.652 -9.168 1.00 0.00 C ATOM 0 H PHE A 14 -21.884 -3.548 -3.346 1.00 0.00 H new ATOM 0 HA PHE A 14 -21.571 -4.969 -5.750 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.493 -2.696 -4.564 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -19.124 -3.790 -4.566 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -21.839 -2.662 -6.891 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -17.755 -3.779 -6.430 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -21.428 -2.124 -9.252 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -17.341 -3.246 -8.790 1.00 0.00 H new ATOM 0 HZ PHE A 14 -19.176 -2.417 -10.206 1.00 0.00 H new ATOM 205 N SER A 15 -19.187 -6.272 -5.273 1.00 0.00 N ATOM 206 CA SER A 15 -18.255 -7.355 -5.009 1.00 0.00 C ATOM 207 C SER A 15 -17.585 -7.171 -3.649 1.00 0.00 C ATOM 208 O SER A 15 -17.490 -6.055 -3.132 1.00 0.00 O ATOM 209 CB SER A 15 -17.196 -7.386 -6.109 1.00 0.00 C ATOM 210 OG SER A 15 -17.801 -7.418 -7.391 1.00 0.00 O ATOM 0 H SER A 15 -18.999 -5.762 -6.136 1.00 0.00 H new ATOM 0 HA SER A 15 -18.802 -8.298 -4.996 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.554 -6.509 -6.027 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.558 -8.261 -5.981 1.00 0.00 H new ATOM 0 HG SER A 15 -17.105 -7.436 -8.081 1.00 0.00 H new ATOM 216 N THR A 16 -17.107 -8.277 -3.092 1.00 0.00 N ATOM 217 CA THR A 16 -16.487 -8.290 -1.775 1.00 0.00 C ATOM 218 C THR A 16 -15.266 -7.374 -1.727 1.00 0.00 C ATOM 219 O THR A 16 -14.806 -6.999 -0.653 1.00 0.00 O ATOM 220 CB THR A 16 -16.083 -9.722 -1.377 1.00 0.00 C ATOM 221 OG1 THR A 16 -17.168 -10.622 -1.645 1.00 0.00 O ATOM 222 CG2 THR A 16 -15.719 -9.804 0.099 1.00 0.00 C ATOM 0 H THR A 16 -17.139 -9.191 -3.543 1.00 0.00 H new ATOM 0 HA THR A 16 -17.224 -7.918 -1.063 1.00 0.00 H new ATOM 0 HB THR A 16 -15.209 -10.001 -1.965 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.908 -11.532 -1.393 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.439 -10.827 0.348 1.00 0.00 H new ATOM 0 HG22 THR A 16 -14.881 -9.138 0.305 1.00 0.00 H new ATOM 0 HG23 THR A 16 -16.576 -9.506 0.702 1.00 0.00 H new ATOM 230 N LEU A 17 -14.743 -7.028 -2.899 1.00 0.00 N ATOM 231 CA LEU A 17 -13.640 -6.082 -3.001 1.00 0.00 C ATOM 232 C LEU A 17 -13.973 -4.773 -2.287 1.00 0.00 C ATOM 233 O LEU A 17 -13.095 -4.156 -1.683 1.00 0.00 O ATOM 234 CB LEU A 17 -13.291 -5.798 -4.468 1.00 0.00 C ATOM 235 CG LEU A 17 -12.499 -6.894 -5.193 1.00 0.00 C ATOM 236 CD1 LEU A 17 -13.347 -8.139 -5.411 1.00 0.00 C ATOM 237 CD2 LEU A 17 -11.971 -6.371 -6.519 1.00 0.00 C ATOM 0 H LEU A 17 -15.068 -7.391 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.775 -6.536 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.218 -5.625 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.717 -4.872 -4.512 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.655 -7.173 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.756 -8.896 -5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.675 -8.529 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.218 -7.885 -6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.411 -7.158 -7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.807 -6.061 -7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.316 -5.518 -6.339 1.00 0.00 H new ATOM 249 N VAL A 18 -15.241 -4.358 -2.326 1.00 0.00 N ATOM 250 CA VAL A 18 -15.627 -3.118 -1.664 1.00 0.00 C ATOM 251 C VAL A 18 -15.791 -3.382 -0.186 1.00 0.00 C ATOM 252 O VAL A 18 -15.378 -2.587 0.652 1.00 0.00 O ATOM 253 CB VAL A 18 -16.930 -2.486 -2.239 1.00 0.00 C ATOM 254 CG1 VAL A 18 -16.893 -2.476 -3.757 1.00 0.00 C ATOM 255 CG2 VAL A 18 -18.200 -3.180 -1.732 1.00 0.00 C ATOM 0 H VAL A 18 -15.999 -4.851 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.833 -2.394 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 18 -16.969 -1.459 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -17.811 -2.031 -4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -16.038 -1.892 -4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -16.804 -3.498 -4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.076 -2.698 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -18.182 -4.230 -2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -18.246 -3.106 -0.645 1.00 0.00 H new ATOM 265 N THR A 19 -16.353 -4.536 0.125 1.00 0.00 N ATOM 266 CA THR A 19 -16.652 -4.887 1.488 1.00 0.00 C ATOM 267 C THR A 19 -15.376 -5.123 2.281 1.00 0.00 C ATOM 268 O THR A 19 -15.351 -4.933 3.481 1.00 0.00 O ATOM 269 CB THR A 19 -17.530 -6.135 1.543 1.00 0.00 C ATOM 270 OG1 THR A 19 -18.280 -6.242 0.325 1.00 0.00 O ATOM 271 CG2 THR A 19 -18.478 -6.047 2.728 1.00 0.00 C ATOM 0 H THR A 19 -16.611 -5.247 -0.560 1.00 0.00 H new ATOM 0 HA THR A 19 -17.192 -4.052 1.935 1.00 0.00 H new ATOM 0 HB THR A 19 -16.900 -7.017 1.659 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.843 -7.043 0.357 1.00 0.00 H new ATOM 0 HG21 THR A 19 -19.102 -6.940 2.762 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.902 -5.972 3.650 1.00 0.00 H new ATOM 0 HG23 THR A 19 -19.111 -5.166 2.623 1.00 0.00 H new ATOM 279 N ALA A 20 -14.316 -5.508 1.585 1.00 0.00 N ATOM 280 CA ALA A 20 -13.032 -5.803 2.208 1.00 0.00 C ATOM 281 C ALA A 20 -12.377 -4.554 2.808 1.00 0.00 C ATOM 282 O ALA A 20 -11.765 -4.623 3.864 1.00 0.00 O ATOM 283 CB ALA A 20 -12.136 -6.486 1.203 1.00 0.00 C ATOM 0 H ALA A 20 -14.321 -5.625 0.572 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.199 -6.478 3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.174 -6.708 1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.602 -7.414 0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.984 -5.830 0.346 1.00 0.00 H new ATOM 289 N VAL A 21 -12.509 -3.410 2.154 1.00 0.00 N ATOM 290 CA VAL A 21 -12.057 -2.152 2.755 1.00 0.00 C ATOM 291 C VAL A 21 -13.089 -1.661 3.771 1.00 0.00 C ATOM 292 O VAL A 21 -12.750 -1.132 4.833 1.00 0.00 O ATOM 293 CB VAL A 21 -11.783 -1.054 1.693 1.00 0.00 C ATOM 294 CG1 VAL A 21 -12.783 -1.117 0.546 1.00 0.00 C ATOM 295 CG2 VAL A 21 -11.822 0.320 2.338 1.00 0.00 C ATOM 0 H VAL A 21 -12.917 -3.320 1.224 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.111 -2.352 3.259 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.790 -1.234 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.558 -0.333 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.716 -2.090 0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.791 -0.974 0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.628 1.082 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.805 0.487 2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.061 0.378 3.116 1.00 0.00 H new ATOM 305 N LYS A 22 -14.347 -1.875 3.430 1.00 0.00 N ATOM 306 CA LYS A 22 -15.480 -1.530 4.251 1.00 0.00 C ATOM 307 C LYS A 22 -15.428 -2.216 5.611 1.00 0.00 C ATOM 308 O LYS A 22 -15.722 -1.610 6.643 1.00 0.00 O ATOM 309 CB LYS A 22 -16.704 -1.948 3.447 1.00 0.00 C ATOM 310 CG LYS A 22 -17.206 -0.877 2.531 1.00 0.00 C ATOM 311 CD LYS A 22 -18.021 -1.449 1.466 1.00 0.00 C ATOM 312 CE LYS A 22 -19.355 -1.894 1.949 1.00 0.00 C ATOM 313 NZ LYS A 22 -19.736 -1.366 3.290 1.00 0.00 N1+ ATOM 0 H LYS A 22 -14.610 -2.308 2.545 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.498 -0.464 4.478 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.459 -2.833 2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.501 -2.232 4.134 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.794 -0.154 3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.364 -0.336 2.100 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.152 -0.710 0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.496 -2.297 1.026 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.110 -1.588 1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.370 -2.983 1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.736 -1.581 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.144 -1.812 4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.594 -0.336 3.311 1.00 0.00 H new ATOM 327 N VAL A 23 -15.034 -3.474 5.602 1.00 0.00 N ATOM 328 CA VAL A 23 -14.888 -4.249 6.822 1.00 0.00 C ATOM 329 C VAL A 23 -13.590 -3.881 7.525 1.00 0.00 C ATOM 330 O VAL A 23 -13.528 -3.812 8.750 1.00 0.00 O ATOM 331 CB VAL A 23 -14.895 -5.763 6.526 1.00 0.00 C ATOM 332 CG1 VAL A 23 -13.776 -6.132 5.568 1.00 0.00 C ATOM 333 CG2 VAL A 23 -14.769 -6.540 7.818 1.00 0.00 C ATOM 0 H VAL A 23 -14.806 -3.989 4.751 1.00 0.00 H new ATOM 0 HA VAL A 23 -15.735 -4.016 7.467 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.841 -6.021 6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.801 -7.204 5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.906 -5.591 4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.816 -5.866 6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.775 -7.608 7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.835 -6.275 8.313 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.607 -6.298 8.472 1.00 0.00 H new ATOM 343 N ALA A 24 -12.565 -3.615 6.728 1.00 0.00 N ATOM 344 CA ALA A 24 -11.240 -3.313 7.243 1.00 0.00 C ATOM 345 C ALA A 24 -11.173 -1.934 7.867 1.00 0.00 C ATOM 346 O ALA A 24 -10.126 -1.536 8.337 1.00 0.00 O ATOM 347 CB ALA A 24 -10.213 -3.397 6.143 1.00 0.00 C ATOM 0 H ALA A 24 -12.629 -3.603 5.710 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.027 -4.054 8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.227 -3.168 6.547 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.209 -4.404 5.725 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.459 -2.680 5.360 1.00 0.00 H new ATOM 353 N ASN A 25 -12.289 -1.212 7.823 1.00 0.00 N ATOM 354 CA ASN A 25 -12.416 0.133 8.379 1.00 0.00 C ATOM 355 C ASN A 25 -11.601 1.171 7.599 1.00 0.00 C ATOM 356 O ASN A 25 -11.517 2.334 7.994 1.00 0.00 O ATOM 357 CB ASN A 25 -12.094 0.140 9.889 1.00 0.00 C ATOM 358 CG ASN A 25 -10.645 0.455 10.278 1.00 0.00 C ATOM 359 OD1 ASN A 25 -9.883 -0.439 10.636 1.00 0.00 O ATOM 360 ND2 ASN A 25 -10.258 1.722 10.236 1.00 0.00 N ATOM 0 H ASN A 25 -13.148 -1.552 7.391 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.458 0.434 8.267 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.743 0.870 10.373 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -12.352 -0.837 10.297 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.307 1.974 10.505 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.911 2.445 9.935 1.00 0.00 H new ATOM 367 N LEU A 26 -11.069 0.779 6.448 1.00 0.00 N ATOM 368 CA LEU A 26 -10.283 1.701 5.633 1.00 0.00 C ATOM 369 C LEU A 26 -11.153 2.472 4.666 1.00 0.00 C ATOM 370 O LEU A 26 -10.647 3.213 3.823 1.00 0.00 O ATOM 371 CB LEU A 26 -9.169 0.985 4.874 1.00 0.00 C ATOM 372 CG LEU A 26 -7.863 0.840 5.650 1.00 0.00 C ATOM 373 CD1 LEU A 26 -8.024 -0.140 6.789 1.00 0.00 C ATOM 374 CD2 LEU A 26 -6.738 0.422 4.725 1.00 0.00 C ATOM 0 H LEU A 26 -11.165 -0.159 6.060 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.824 2.407 6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.520 -0.007 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.969 1.528 3.950 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.606 1.809 6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.081 -0.228 7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.799 0.215 7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.308 -1.115 6.393 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.815 0.324 5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.983 -0.535 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.606 1.176 3.949 1.00 0.00 H new ATOM 386 N VAL A 27 -12.458 2.299 4.790 1.00 0.00 N ATOM 387 CA VAL A 27 -13.404 3.057 3.988 1.00 0.00 C ATOM 388 C VAL A 27 -13.194 4.547 4.207 1.00 0.00 C ATOM 389 O VAL A 27 -13.299 5.341 3.283 1.00 0.00 O ATOM 390 CB VAL A 27 -14.857 2.654 4.322 1.00 0.00 C ATOM 391 CG1 VAL A 27 -15.690 3.834 4.807 1.00 0.00 C ATOM 392 CG2 VAL A 27 -15.507 1.996 3.115 1.00 0.00 C ATOM 0 H VAL A 27 -12.887 1.640 5.439 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.229 2.829 2.937 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.817 1.938 5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.703 3.498 5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.241 4.250 5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.723 4.599 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.531 1.716 3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.513 2.695 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.943 1.105 2.839 1.00 0.00 H new ATOM 402 N GLU A 28 -12.885 4.909 5.437 1.00 0.00 N ATOM 403 CA GLU A 28 -12.579 6.294 5.770 1.00 0.00 C ATOM 404 C GLU A 28 -11.112 6.632 5.502 1.00 0.00 C ATOM 405 O GLU A 28 -10.761 7.797 5.319 1.00 0.00 O ATOM 406 CB GLU A 28 -12.930 6.580 7.224 1.00 0.00 C ATOM 407 CG GLU A 28 -12.530 5.474 8.182 1.00 0.00 C ATOM 408 CD GLU A 28 -12.790 5.842 9.625 1.00 0.00 C ATOM 409 OE1 GLU A 28 -13.966 5.816 10.046 1.00 0.00 O ATOM 410 OE2 GLU A 28 -11.822 6.180 10.338 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.838 4.265 6.226 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.187 6.928 5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.443 7.506 7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.005 6.744 7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.081 4.566 7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.471 5.249 8.052 1.00 0.00 H new ATOM 417 N ALA A 29 -10.262 5.613 5.467 1.00 0.00 N ATOM 418 CA ALA A 29 -8.833 5.810 5.274 1.00 0.00 C ATOM 419 C ALA A 29 -8.509 6.196 3.832 1.00 0.00 C ATOM 420 O ALA A 29 -7.874 7.221 3.583 1.00 0.00 O ATOM 421 CB ALA A 29 -8.066 4.559 5.680 1.00 0.00 C ATOM 0 H ALA A 29 -10.541 4.637 5.570 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.521 6.636 5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.999 4.722 5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.256 4.341 6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.394 3.717 5.070 1.00 0.00 H new ATOM 427 N LEU A 30 -8.959 5.364 2.892 1.00 0.00 N ATOM 428 CA LEU A 30 -8.734 5.584 1.453 1.00 0.00 C ATOM 429 C LEU A 30 -9.270 6.937 0.970 1.00 0.00 C ATOM 430 O LEU A 30 -8.950 7.384 -0.133 1.00 0.00 O ATOM 431 CB LEU A 30 -9.408 4.487 0.639 1.00 0.00 C ATOM 432 CG LEU A 30 -9.112 3.056 1.076 1.00 0.00 C ATOM 433 CD1 LEU A 30 -9.707 2.083 0.081 1.00 0.00 C ATOM 434 CD2 LEU A 30 -7.621 2.819 1.225 1.00 0.00 C ATOM 0 H LEU A 30 -9.490 4.518 3.101 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.654 5.569 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.486 4.643 0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.108 4.598 -0.403 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.569 2.895 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.493 1.062 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.786 2.228 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.271 2.257 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.446 1.790 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.127 2.998 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.218 3.499 1.975 1.00 0.00 H new ATOM 446 N GLN A 31 -10.101 7.568 1.791 1.00 0.00 N ATOM 447 CA GLN A 31 -10.728 8.850 1.450 1.00 0.00 C ATOM 448 C GLN A 31 -9.715 9.987 1.403 1.00 0.00 C ATOM 449 O GLN A 31 -10.071 11.122 1.088 1.00 0.00 O ATOM 450 CB GLN A 31 -11.797 9.196 2.475 1.00 0.00 C ATOM 451 CG GLN A 31 -12.816 8.104 2.665 1.00 0.00 C ATOM 452 CD GLN A 31 -13.987 8.196 1.724 1.00 0.00 C ATOM 453 OE1 GLN A 31 -14.450 7.047 1.282 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -14.432 9.283 1.353 1.00 0.00 N flip ATOM 0 H GLN A 31 -10.362 7.211 2.710 1.00 0.00 H new ATOM 0 HA GLN A 31 -11.169 8.737 0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.319 9.407 3.431 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.306 10.108 2.165 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.329 7.138 2.531 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.183 8.136 3.691 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.040 10.148 1.725 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.193 9.318 0.674 1.00 0.00 H new ATOM 463 N SER A 32 -8.467 9.680 1.734 1.00 0.00 N ATOM 464 CA SER A 32 -7.395 10.665 1.749 1.00 0.00 C ATOM 465 C SER A 32 -7.360 11.474 0.452 1.00 0.00 C ATOM 466 O SER A 32 -7.140 10.928 -0.628 1.00 0.00 O ATOM 467 CB SER A 32 -6.067 9.952 1.974 1.00 0.00 C ATOM 468 OG SER A 32 -5.986 8.780 1.182 1.00 0.00 O ATOM 0 H SER A 32 -8.170 8.741 1.999 1.00 0.00 H new ATOM 0 HA SER A 32 -7.576 11.368 2.562 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.243 10.621 1.727 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.962 9.693 3.027 1.00 0.00 H new ATOM 0 HG SER A 32 -6.051 9.021 0.234 1.00 0.00 H new ATOM 474 N PRO A 33 -7.608 12.787 0.548 1.00 0.00 N ATOM 475 CA PRO A 33 -7.664 13.671 -0.615 1.00 0.00 C ATOM 476 C PRO A 33 -6.288 14.085 -1.119 1.00 0.00 C ATOM 477 O PRO A 33 -6.143 14.539 -2.255 1.00 0.00 O ATOM 478 CB PRO A 33 -8.413 14.888 -0.087 1.00 0.00 C ATOM 479 CG PRO A 33 -8.107 14.931 1.371 1.00 0.00 C ATOM 480 CD PRO A 33 -7.875 13.509 1.808 1.00 0.00 C ATOM 0 HA PRO A 33 -8.137 13.182 -1.467 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.084 15.800 -0.586 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.485 14.798 -0.262 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.226 15.543 1.563 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.932 15.377 1.926 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.033 13.435 2.496 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.745 13.103 2.324 1.00 0.00 H new ATOM 488 N GLY A 34 -5.289 13.927 -0.267 1.00 0.00 N ATOM 489 CA GLY A 34 -3.953 14.376 -0.591 1.00 0.00 C ATOM 490 C GLY A 34 -3.206 13.439 -1.525 1.00 0.00 C ATOM 491 O GLY A 34 -3.764 12.958 -2.514 1.00 0.00 O ATOM 0 H GLY A 34 -5.381 13.492 0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.012 15.363 -1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.383 14.487 0.331 1.00 0.00 H new ATOM 495 N PRO A 35 -1.929 13.165 -1.231 1.00 0.00 N ATOM 496 CA PRO A 35 -1.075 12.358 -2.086 1.00 0.00 C ATOM 497 C PRO A 35 -1.206 10.860 -1.821 1.00 0.00 C ATOM 498 O PRO A 35 -1.750 10.445 -0.799 1.00 0.00 O ATOM 499 CB PRO A 35 0.334 12.839 -1.733 1.00 0.00 C ATOM 500 CG PRO A 35 0.219 13.627 -0.458 1.00 0.00 C ATOM 501 CD PRO A 35 -1.218 13.615 -0.034 1.00 0.00 C ATOM 0 HA PRO A 35 -1.337 12.476 -3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.010 11.994 -1.605 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.743 13.456 -2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.849 13.191 0.318 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.563 14.650 -0.610 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.382 12.940 0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.551 14.604 0.281 1.00 0.00 H new ATOM 509 N PHE A 36 -0.676 10.057 -2.735 1.00 0.00 N ATOM 510 CA PHE A 36 -0.774 8.607 -2.642 1.00 0.00 C ATOM 511 C PHE A 36 0.572 7.950 -2.918 1.00 0.00 C ATOM 512 O PHE A 36 1.166 8.143 -3.979 1.00 0.00 O ATOM 513 CB PHE A 36 -1.821 8.075 -3.628 1.00 0.00 C ATOM 514 CG PHE A 36 -3.243 8.290 -3.182 1.00 0.00 C ATOM 515 CD1 PHE A 36 -3.871 7.359 -2.370 1.00 0.00 C ATOM 516 CD2 PHE A 36 -3.952 9.415 -3.574 1.00 0.00 C ATOM 517 CE1 PHE A 36 -5.176 7.545 -1.958 1.00 0.00 C ATOM 518 CE2 PHE A 36 -5.258 9.605 -3.166 1.00 0.00 C ATOM 519 CZ PHE A 36 -5.871 8.668 -2.357 1.00 0.00 C ATOM 0 H PHE A 36 -0.170 10.390 -3.556 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.081 8.358 -1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.676 8.560 -4.593 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.655 7.008 -3.779 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.333 6.477 -2.055 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.478 10.151 -4.206 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.652 6.812 -1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.799 10.485 -3.479 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.892 8.814 -2.038 1.00 0.00 H new ATOM 529 N THR A 37 1.045 7.183 -1.957 1.00 0.00 N ATOM 530 CA THR A 37 2.287 6.450 -2.088 1.00 0.00 C ATOM 531 C THR A 37 2.012 4.969 -2.339 1.00 0.00 C ATOM 532 O THR A 37 1.620 4.227 -1.434 1.00 0.00 O ATOM 533 CB THR A 37 3.166 6.632 -0.836 1.00 0.00 C ATOM 534 OG1 THR A 37 3.680 7.966 -0.808 1.00 0.00 O ATOM 535 CG2 THR A 37 4.321 5.647 -0.816 1.00 0.00 C ATOM 0 H THR A 37 0.577 7.050 -1.060 1.00 0.00 H new ATOM 0 HA THR A 37 2.829 6.851 -2.945 1.00 0.00 H new ATOM 0 HB THR A 37 2.547 6.445 0.042 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.553 8.347 0.086 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.919 5.805 0.082 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.931 4.629 -0.817 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.943 5.798 -1.698 1.00 0.00 H new ATOM 543 N VAL A 38 2.204 4.554 -3.576 1.00 0.00 N ATOM 544 CA VAL A 38 1.920 3.190 -3.974 1.00 0.00 C ATOM 545 C VAL A 38 3.179 2.339 -3.921 1.00 0.00 C ATOM 546 O VAL A 38 4.195 2.665 -4.539 1.00 0.00 O ATOM 547 CB VAL A 38 1.338 3.123 -5.403 1.00 0.00 C ATOM 548 CG1 VAL A 38 0.920 1.702 -5.749 1.00 0.00 C ATOM 549 CG2 VAL A 38 0.167 4.083 -5.562 1.00 0.00 C ATOM 0 H VAL A 38 2.558 5.147 -4.327 1.00 0.00 H new ATOM 0 HA VAL A 38 1.182 2.804 -3.271 1.00 0.00 H new ATOM 0 HB VAL A 38 2.120 3.428 -6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.513 1.678 -6.760 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.787 1.044 -5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.160 1.364 -5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.224 4.015 -6.577 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.618 3.820 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.503 5.102 -5.370 1.00 0.00 H new ATOM 559 N PHE A 39 3.122 1.267 -3.155 1.00 0.00 N ATOM 560 CA PHE A 39 4.160 0.258 -3.201 1.00 0.00 C ATOM 561 C PHE A 39 3.806 -0.721 -4.313 1.00 0.00 C ATOM 562 O PHE A 39 2.859 -1.497 -4.186 1.00 0.00 O ATOM 563 CB PHE A 39 4.292 -0.458 -1.850 1.00 0.00 C ATOM 564 CG PHE A 39 4.723 0.439 -0.725 1.00 0.00 C ATOM 565 CD1 PHE A 39 6.068 0.662 -0.482 1.00 0.00 C ATOM 566 CD2 PHE A 39 3.789 1.050 0.093 1.00 0.00 C ATOM 567 CE1 PHE A 39 6.472 1.479 0.557 1.00 0.00 C ATOM 568 CE2 PHE A 39 4.188 1.869 1.132 1.00 0.00 C ATOM 569 CZ PHE A 39 5.531 2.083 1.364 1.00 0.00 C ATOM 0 H PHE A 39 2.369 1.073 -2.495 1.00 0.00 H new ATOM 0 HA PHE A 39 5.126 0.720 -3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.334 -0.910 -1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.011 -1.271 -1.949 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.809 0.192 -1.111 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.736 0.885 -0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.524 1.644 0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.449 2.341 1.762 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.845 2.722 2.176 1.00 0.00 H new ATOM 579 N ALA A 40 4.549 -0.664 -5.403 1.00 0.00 N ATOM 580 CA ALA A 40 4.191 -1.391 -6.612 1.00 0.00 C ATOM 581 C ALA A 40 4.888 -2.739 -6.659 1.00 0.00 C ATOM 582 O ALA A 40 6.099 -2.827 -6.485 1.00 0.00 O ATOM 583 CB ALA A 40 4.541 -0.570 -7.844 1.00 0.00 C ATOM 0 H ALA A 40 5.408 -0.120 -5.478 1.00 0.00 H new ATOM 0 HA ALA A 40 3.115 -1.565 -6.600 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.268 -1.126 -8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.994 0.373 -7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.612 -0.368 -7.854 1.00 0.00 H new ATOM 589 N PRO A 41 4.134 -3.815 -6.887 1.00 0.00 N ATOM 590 CA PRO A 41 4.694 -5.155 -6.935 1.00 0.00 C ATOM 591 C PRO A 41 5.359 -5.464 -8.274 1.00 0.00 C ATOM 592 O PRO A 41 4.761 -5.295 -9.337 1.00 0.00 O ATOM 593 CB PRO A 41 3.474 -6.039 -6.716 1.00 0.00 C ATOM 594 CG PRO A 41 2.338 -5.270 -7.301 1.00 0.00 C ATOM 595 CD PRO A 41 2.675 -3.812 -7.113 1.00 0.00 C ATOM 0 HA PRO A 41 5.484 -5.301 -6.198 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.592 -7.005 -7.207 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.314 -6.237 -5.656 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.211 -5.507 -8.357 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.401 -5.520 -6.803 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.407 -3.223 -7.990 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.140 -3.384 -6.266 1.00 0.00 H new ATOM 603 N ASN A 42 6.606 -5.900 -8.213 1.00 0.00 N ATOM 604 CA ASN A 42 7.327 -6.328 -9.401 1.00 0.00 C ATOM 605 C ASN A 42 6.866 -7.742 -9.775 1.00 0.00 C ATOM 606 O ASN A 42 6.052 -8.318 -9.059 1.00 0.00 O ATOM 607 CB ASN A 42 8.839 -6.267 -9.123 1.00 0.00 C ATOM 608 CG ASN A 42 9.456 -7.610 -8.808 1.00 0.00 C ATOM 609 OD1 ASN A 42 9.991 -8.293 -9.678 1.00 0.00 O ATOM 610 ND2 ASN A 42 9.345 -8.005 -7.567 1.00 0.00 N ATOM 0 H ASN A 42 7.143 -5.967 -7.348 1.00 0.00 H new ATOM 0 HA ASN A 42 7.119 -5.670 -10.245 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.342 -5.841 -9.991 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.018 -5.590 -8.288 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.711 -8.915 -7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.893 -7.403 -6.879 1.00 0.00 H new ATOM 617 N ASP A 43 7.369 -8.307 -10.864 1.00 0.00 N ATOM 618 CA ASP A 43 6.903 -9.620 -11.336 1.00 0.00 C ATOM 619 C ASP A 43 7.039 -10.718 -10.269 1.00 0.00 C ATOM 620 O ASP A 43 6.204 -11.622 -10.189 1.00 0.00 O ATOM 621 CB ASP A 43 7.656 -10.038 -12.598 1.00 0.00 C ATOM 622 CG ASP A 43 7.297 -9.192 -13.802 1.00 0.00 C ATOM 623 OD1 ASP A 43 7.952 -8.152 -14.021 1.00 0.00 O ATOM 624 OD2 ASP A 43 6.365 -9.568 -14.544 1.00 0.00 O1- ATOM 0 H ASP A 43 8.097 -7.885 -11.441 1.00 0.00 H new ATOM 0 HA ASP A 43 5.842 -9.507 -11.559 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.728 -9.967 -12.416 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.438 -11.084 -12.816 1.00 0.00 H new ATOM 629 N ASP A 44 8.062 -10.612 -9.427 1.00 0.00 N ATOM 630 CA ASP A 44 8.342 -11.623 -8.414 1.00 0.00 C ATOM 631 C ASP A 44 7.482 -11.350 -7.195 1.00 0.00 C ATOM 632 O ASP A 44 7.230 -12.222 -6.369 1.00 0.00 O ATOM 633 CB ASP A 44 9.823 -11.595 -8.038 1.00 0.00 C ATOM 634 CG ASP A 44 10.261 -12.799 -7.223 1.00 0.00 C ATOM 635 OD1 ASP A 44 10.147 -12.769 -5.983 1.00 0.00 O ATOM 636 OD2 ASP A 44 10.753 -13.779 -7.826 1.00 0.00 O1- ATOM 0 H ASP A 44 8.716 -9.829 -9.427 1.00 0.00 H new ATOM 0 HA ASP A 44 8.109 -12.612 -8.808 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.420 -11.545 -8.948 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.029 -10.687 -7.471 1.00 0.00 H new ATOM 641 N ALA A 45 7.016 -10.117 -7.112 1.00 0.00 N ATOM 642 CA ALA A 45 6.116 -9.710 -6.058 1.00 0.00 C ATOM 643 C ALA A 45 4.693 -10.065 -6.448 1.00 0.00 C ATOM 644 O ALA A 45 3.893 -10.479 -5.625 1.00 0.00 O ATOM 645 CB ALA A 45 6.253 -8.232 -5.793 1.00 0.00 C ATOM 0 H ALA A 45 7.252 -9.376 -7.772 1.00 0.00 H new ATOM 0 HA ALA A 45 6.370 -10.237 -5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.569 -7.940 -4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.277 -8.010 -5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.013 -7.676 -6.699 1.00 0.00 H new ATOM 769 N ILE A 54 0.550 -11.232 1.610 1.00 0.00 N ATOM 770 CA ILE A 54 -0.617 -10.484 2.024 1.00 0.00 C ATOM 771 C ILE A 54 -1.553 -11.335 2.863 1.00 0.00 C ATOM 772 O ILE A 54 -2.319 -10.826 3.677 1.00 0.00 O ATOM 773 CB ILE A 54 -1.327 -9.860 0.805 1.00 0.00 C ATOM 774 CG1 ILE A 54 -0.810 -8.433 0.634 1.00 0.00 C ATOM 775 CG2 ILE A 54 -2.844 -9.887 0.937 1.00 0.00 C ATOM 776 CD1 ILE A 54 0.687 -8.354 0.490 1.00 0.00 C ATOM 0 HA ILE A 54 -0.288 -9.664 2.662 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.099 -10.453 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.276 -7.988 -0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.117 -7.837 1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.294 -9.436 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.183 -10.919 1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.142 -9.326 1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.987 -7.313 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.161 -8.770 1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.999 -8.923 -0.386 1.00 0.00 H new ATOM 788 N THR A 55 -1.453 -12.632 2.683 1.00 0.00 N ATOM 789 CA THR A 55 -2.214 -13.565 3.478 1.00 0.00 C ATOM 790 C THR A 55 -1.931 -13.390 4.969 1.00 0.00 C ATOM 791 O THR A 55 -2.822 -13.523 5.786 1.00 0.00 O ATOM 792 CB THR A 55 -1.907 -15.001 3.072 1.00 0.00 C ATOM 793 OG1 THR A 55 -2.181 -15.179 1.679 1.00 0.00 O ATOM 794 CG2 THR A 55 -2.730 -15.967 3.905 1.00 0.00 C ATOM 0 H THR A 55 -0.847 -13.066 1.987 1.00 0.00 H new ATOM 0 HA THR A 55 -3.268 -13.356 3.295 1.00 0.00 H new ATOM 0 HB THR A 55 -0.852 -15.206 3.251 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.981 -16.103 1.422 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.502 -16.990 3.606 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.489 -15.835 4.960 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.791 -15.771 3.748 1.00 0.00 H new ATOM 802 N SER A 56 -0.696 -13.075 5.315 1.00 0.00 N ATOM 803 CA SER A 56 -0.337 -12.853 6.703 1.00 0.00 C ATOM 804 C SER A 56 -0.698 -11.430 7.089 1.00 0.00 C ATOM 805 O SER A 56 -0.970 -11.121 8.249 1.00 0.00 O ATOM 806 CB SER A 56 1.158 -13.113 6.905 1.00 0.00 C ATOM 807 OG SER A 56 1.543 -12.913 8.254 1.00 0.00 O ATOM 0 H SER A 56 0.074 -12.967 4.655 1.00 0.00 H new ATOM 0 HA SER A 56 -0.888 -13.542 7.343 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.394 -14.134 6.606 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.734 -12.450 6.259 1.00 0.00 H new ATOM 0 HG SER A 56 2.502 -13.088 8.350 1.00 0.00 H new ATOM 813 N LEU A 57 -0.735 -10.584 6.082 1.00 0.00 N ATOM 814 CA LEU A 57 -1.074 -9.182 6.248 1.00 0.00 C ATOM 815 C LEU A 57 -2.561 -9.014 6.517 1.00 0.00 C ATOM 816 O LEU A 57 -2.974 -8.048 7.153 1.00 0.00 O ATOM 817 CB LEU A 57 -0.679 -8.395 5.016 1.00 0.00 C ATOM 818 CG LEU A 57 0.765 -7.886 4.987 1.00 0.00 C ATOM 819 CD1 LEU A 57 1.753 -9.010 5.257 1.00 0.00 C ATOM 820 CD2 LEU A 57 1.076 -7.236 3.645 1.00 0.00 C ATOM 0 H LEU A 57 -0.530 -10.848 5.118 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.521 -8.799 7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.841 -9.022 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.348 -7.539 4.924 1.00 0.00 H new ATOM 0 HG LEU A 57 0.868 -7.142 5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.769 -8.616 5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.557 -9.439 6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.643 -9.782 4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.106 -6.880 3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.943 -7.967 2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.402 -6.395 3.483 1.00 0.00 H new ATOM 832 N VAL A 58 -3.367 -9.955 6.028 1.00 0.00 N ATOM 833 CA VAL A 58 -4.799 -9.908 6.275 1.00 0.00 C ATOM 834 C VAL A 58 -5.097 -10.429 7.671 1.00 0.00 C ATOM 835 O VAL A 58 -6.063 -10.014 8.311 1.00 0.00 O ATOM 836 CB VAL A 58 -5.598 -10.722 5.237 1.00 0.00 C ATOM 837 CG1 VAL A 58 -5.370 -12.215 5.428 1.00 0.00 C ATOM 838 CG2 VAL A 58 -7.078 -10.377 5.318 1.00 0.00 C ATOM 0 H VAL A 58 -3.055 -10.747 5.467 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.111 -8.867 6.188 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.242 -10.458 4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.944 -12.769 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.310 -12.439 5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.693 -12.507 6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.628 -10.960 4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.452 -10.609 6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.215 -9.314 5.118 1.00 0.00 H new ATOM 848 N GLN A 59 -4.245 -11.334 8.141 1.00 0.00 N ATOM 849 CA GLN A 59 -4.366 -11.865 9.483 1.00 0.00 C ATOM 850 C GLN A 59 -3.984 -10.773 10.465 1.00 0.00 C ATOM 851 O GLN A 59 -4.414 -10.735 11.617 1.00 0.00 O ATOM 852 CB GLN A 59 -3.426 -13.051 9.640 1.00 0.00 C ATOM 853 CG GLN A 59 -3.467 -13.991 8.458 1.00 0.00 C ATOM 854 CD GLN A 59 -4.485 -15.099 8.584 1.00 0.00 C ATOM 855 OE1 GLN A 59 -4.819 -15.541 9.682 1.00 0.00 O ATOM 856 NE2 GLN A 59 -4.963 -15.570 7.446 1.00 0.00 N ATOM 0 H GLN A 59 -3.463 -11.712 7.606 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.388 -12.194 9.672 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.407 -12.686 9.773 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.689 -13.600 10.544 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.682 -13.416 7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.480 -14.433 8.325 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -4.655 -15.170 6.559 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.640 -16.333 7.454 1.00 0.00 H new ATOM 865 N ASN A 60 -3.139 -9.905 9.955 1.00 0.00 N ATOM 866 CA ASN A 60 -2.641 -8.745 10.640 1.00 0.00 C ATOM 867 C ASN A 60 -3.644 -7.588 10.556 1.00 0.00 C ATOM 868 O ASN A 60 -4.634 -7.695 9.834 1.00 0.00 O ATOM 869 CB ASN A 60 -1.298 -8.368 10.024 1.00 0.00 C ATOM 870 CG ASN A 60 -0.120 -8.896 10.814 1.00 0.00 C ATOM 871 OD1 ASN A 60 0.375 -8.239 11.728 1.00 0.00 O ATOM 872 ND2 ASN A 60 0.345 -10.081 10.462 1.00 0.00 N ATOM 0 H ASN A 60 -2.767 -9.997 9.010 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.505 -8.965 11.699 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.249 -8.755 9.006 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.227 -7.282 9.956 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.143 -10.483 10.954 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.094 -10.595 9.698 1.00 0.00 H new ATOM 879 N PRO A 61 -3.436 -6.515 11.353 1.00 0.00 N ATOM 880 CA PRO A 61 -4.307 -5.314 11.409 1.00 0.00 C ATOM 881 C PRO A 61 -4.910 -4.840 10.056 1.00 0.00 C ATOM 882 O PRO A 61 -4.511 -5.294 8.982 1.00 0.00 O ATOM 883 CB PRO A 61 -3.334 -4.264 11.950 1.00 0.00 C ATOM 884 CG PRO A 61 -2.476 -5.015 12.900 1.00 0.00 C ATOM 885 CD PRO A 61 -2.325 -6.399 12.326 1.00 0.00 C ATOM 0 HA PRO A 61 -5.201 -5.509 12.002 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.745 -3.818 11.149 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.862 -3.451 12.448 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.505 -4.532 13.013 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.931 -5.052 13.890 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.357 -6.525 11.841 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.395 -7.161 13.102 1.00 0.00 H new ATOM 893 N PRO A 62 -5.897 -3.901 10.144 1.00 0.00 N ATOM 894 CA PRO A 62 -6.759 -3.399 9.031 1.00 0.00 C ATOM 895 C PRO A 62 -6.112 -3.147 7.656 1.00 0.00 C ATOM 896 O PRO A 62 -6.836 -2.885 6.694 1.00 0.00 O ATOM 897 CB PRO A 62 -7.271 -2.083 9.586 1.00 0.00 C ATOM 898 CG PRO A 62 -7.417 -2.338 11.038 1.00 0.00 C ATOM 899 CD PRO A 62 -6.272 -3.233 11.413 1.00 0.00 C ATOM 0 HA PRO A 62 -7.490 -4.170 8.789 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.572 -1.269 9.392 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.222 -1.802 9.133 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.387 -1.407 11.604 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.373 -2.813 11.257 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.439 -2.662 11.823 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.566 -3.958 12.172 1.00 0.00 H new ATOM 907 N GLN A 63 -4.788 -3.193 7.563 1.00 0.00 N ATOM 908 CA GLN A 63 -4.053 -2.964 6.310 1.00 0.00 C ATOM 909 C GLN A 63 -4.667 -3.670 5.090 1.00 0.00 C ATOM 910 O GLN A 63 -4.375 -3.291 3.951 1.00 0.00 O ATOM 911 CB GLN A 63 -2.620 -3.413 6.469 1.00 0.00 C ATOM 912 CG GLN A 63 -1.760 -2.921 5.337 1.00 0.00 C ATOM 913 CD GLN A 63 -0.475 -3.661 5.234 1.00 0.00 C ATOM 914 OE1 GLN A 63 -0.503 -4.712 4.462 1.00 0.00 O flip ATOM 915 NE2 GLN A 63 0.534 -3.288 5.826 1.00 0.00 N flip ATOM 0 H GLN A 63 -4.182 -3.392 8.359 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.111 -1.893 6.118 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.225 -3.043 7.415 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.581 -4.502 6.511 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.308 -3.019 4.400 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.554 -1.860 5.476 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.500 -2.458 6.418 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.406 -3.808 5.726 1.00 0.00 H new ATOM 924 N LEU A 64 -5.503 -4.681 5.327 1.00 0.00 N ATOM 925 CA LEU A 64 -6.254 -5.342 4.270 1.00 0.00 C ATOM 926 C LEU A 64 -6.860 -4.322 3.313 1.00 0.00 C ATOM 927 O LEU A 64 -6.690 -4.422 2.099 1.00 0.00 O ATOM 928 CB LEU A 64 -7.380 -6.185 4.871 1.00 0.00 C ATOM 929 CG LEU A 64 -8.486 -6.528 3.880 1.00 0.00 C ATOM 930 CD1 LEU A 64 -8.051 -7.651 2.950 1.00 0.00 C ATOM 931 CD2 LEU A 64 -9.791 -6.869 4.585 1.00 0.00 C ATOM 0 H LEU A 64 -5.676 -5.061 6.258 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.563 -5.982 3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.959 -7.110 5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.814 -5.647 5.714 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.672 -5.640 3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.857 -7.878 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.166 -7.341 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.818 -8.540 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.554 -7.107 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.638 -7.729 5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.117 -6.016 5.179 1.00 0.00 H new ATOM 943 N GLY A 65 -7.537 -3.331 3.885 1.00 0.00 N ATOM 944 CA GLY A 65 -8.228 -2.314 3.102 1.00 0.00 C ATOM 945 C GLY A 65 -7.341 -1.630 2.079 1.00 0.00 C ATOM 946 O GLY A 65 -7.807 -1.199 1.026 1.00 0.00 O ATOM 0 H GLY A 65 -7.621 -3.211 4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.073 -2.774 2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.636 -1.562 3.777 1.00 0.00 H new ATOM 950 N ARG A 66 -6.057 -1.543 2.387 1.00 0.00 N ATOM 951 CA ARG A 66 -5.097 -0.931 1.501 1.00 0.00 C ATOM 952 C ARG A 66 -4.716 -1.905 0.402 1.00 0.00 C ATOM 953 O ARG A 66 -4.569 -1.530 -0.760 1.00 0.00 O ATOM 954 CB ARG A 66 -3.880 -0.513 2.312 1.00 0.00 C ATOM 955 CG ARG A 66 -2.587 -0.573 1.543 1.00 0.00 C ATOM 956 CD ARG A 66 -1.602 -1.474 2.248 1.00 0.00 C ATOM 957 NE ARG A 66 -0.243 -1.288 1.723 1.00 0.00 N ATOM 958 CZ ARG A 66 0.854 -1.167 2.477 1.00 0.00 C ATOM 959 NH1 ARG A 66 0.771 -1.194 3.798 1.00 0.00 N1+ ATOM 960 NH2 ARG A 66 2.037 -1.000 1.898 1.00 0.00 N ATOM 0 H ARG A 66 -5.658 -1.895 3.257 1.00 0.00 H new ATOM 0 HA ARG A 66 -5.528 -0.048 1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.029 0.504 2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.801 -1.156 3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.772 -0.943 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.168 0.428 1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.614 -1.264 3.317 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.903 -2.514 2.124 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.128 -1.248 0.710 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.136 -1.308 4.250 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.614 -1.101 4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.107 -0.964 0.881 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.876 -0.907 2.470 1.00 0.00 H new ATOM 974 N ILE A 67 -4.574 -3.157 0.796 1.00 0.00 N ATOM 975 CA ILE A 67 -4.167 -4.228 -0.088 1.00 0.00 C ATOM 976 C ILE A 67 -5.122 -4.410 -1.264 1.00 0.00 C ATOM 977 O ILE A 67 -4.681 -4.563 -2.403 1.00 0.00 O ATOM 978 CB ILE A 67 -4.095 -5.535 0.708 1.00 0.00 C ATOM 979 CG1 ILE A 67 -3.206 -5.327 1.935 1.00 0.00 C ATOM 980 CG2 ILE A 67 -3.587 -6.655 -0.174 1.00 0.00 C ATOM 981 CD1 ILE A 67 -3.125 -6.520 2.857 1.00 0.00 C ATOM 0 H ILE A 67 -4.741 -3.461 1.755 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.191 -3.964 -0.496 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.090 -5.820 1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.200 -5.073 1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.580 -4.472 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.540 -7.579 0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.263 -6.788 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.592 -6.406 -0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.475 -6.285 3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.122 -6.764 3.225 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.720 -7.373 2.313 1.00 0.00 H new ATOM 993 N LEU A 68 -6.417 -4.401 -0.973 1.00 0.00 N ATOM 994 CA LEU A 68 -7.439 -4.655 -1.989 1.00 0.00 C ATOM 995 C LEU A 68 -7.263 -3.792 -3.231 1.00 0.00 C ATOM 996 O LEU A 68 -7.076 -4.309 -4.332 1.00 0.00 O ATOM 997 CB LEU A 68 -8.852 -4.420 -1.445 1.00 0.00 C ATOM 998 CG LEU A 68 -9.407 -5.481 -0.499 1.00 0.00 C ATOM 999 CD1 LEU A 68 -8.673 -6.798 -0.661 1.00 0.00 C ATOM 1000 CD2 LEU A 68 -9.351 -4.989 0.936 1.00 0.00 C ATOM 0 H LEU A 68 -6.788 -4.220 -0.040 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.312 -5.702 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.862 -3.462 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.532 -4.330 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.451 -5.659 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.091 -7.534 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.785 -7.153 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.615 -6.655 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.750 -5.756 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.317 -4.776 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.946 -4.081 1.033 1.00 0.00 H new ATOM 1012 N LYS A 69 -7.315 -2.481 -3.055 1.00 0.00 N ATOM 1013 CA LYS A 69 -7.442 -1.589 -4.193 1.00 0.00 C ATOM 1014 C LYS A 69 -6.098 -1.236 -4.825 1.00 0.00 C ATOM 1015 O LYS A 69 -5.852 -1.566 -5.984 1.00 0.00 O ATOM 1016 CB LYS A 69 -8.165 -0.309 -3.769 1.00 0.00 C ATOM 1017 CG LYS A 69 -8.414 0.656 -4.917 1.00 0.00 C ATOM 1018 CD LYS A 69 -9.078 1.935 -4.440 1.00 0.00 C ATOM 1019 CE LYS A 69 -9.400 2.857 -5.603 1.00 0.00 C ATOM 1020 NZ LYS A 69 -8.180 3.274 -6.342 1.00 0.00 N1+ ATOM 0 H LYS A 69 -7.272 -2.017 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.021 -2.119 -4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.119 -0.574 -3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.576 0.195 -3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.468 0.896 -5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.044 0.176 -5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.994 1.693 -3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.421 2.448 -3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.082 2.352 -6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.918 3.741 -5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.419 4.041 -7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.463 3.610 -5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.802 2.464 -6.874 1.00 0.00 H new ATOM 1034 N TYR A 70 -5.226 -0.570 -4.080 1.00 0.00 N ATOM 1035 CA TYR A 70 -4.004 -0.056 -4.687 1.00 0.00 C ATOM 1036 C TYR A 70 -2.728 -0.520 -3.984 1.00 0.00 C ATOM 1037 O TYR A 70 -1.642 -0.410 -4.553 1.00 0.00 O ATOM 1038 CB TYR A 70 -4.048 1.471 -4.745 1.00 0.00 C ATOM 1039 CG TYR A 70 -3.657 2.041 -6.093 1.00 0.00 C ATOM 1040 CD1 TYR A 70 -2.545 1.566 -6.776 1.00 0.00 C ATOM 1041 CD2 TYR A 70 -4.403 3.054 -6.679 1.00 0.00 C ATOM 1042 CE1 TYR A 70 -2.190 2.082 -8.007 1.00 0.00 C ATOM 1043 CE2 TYR A 70 -4.053 3.576 -7.909 1.00 0.00 C ATOM 1044 CZ TYR A 70 -2.946 3.086 -8.570 1.00 0.00 C ATOM 1045 OH TYR A 70 -2.596 3.599 -9.800 1.00 0.00 O ATOM 0 H TYR A 70 -5.335 -0.376 -3.084 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.965 -0.468 -5.695 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.055 1.806 -4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.381 1.874 -3.983 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.948 0.780 -6.337 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.271 3.440 -6.165 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.323 1.700 -8.526 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.644 4.365 -8.351 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.622 4.578 -9.765 1.00 0.00 H new ATOM 1055 N HIS A 71 -2.853 -1.020 -2.746 1.00 0.00 N ATOM 1056 CA HIS A 71 -1.686 -1.385 -1.940 1.00 0.00 C ATOM 1057 C HIS A 71 -0.923 -0.100 -1.589 1.00 0.00 C ATOM 1058 O HIS A 71 0.303 -0.087 -1.452 1.00 0.00 O ATOM 1059 CB HIS A 71 -0.812 -2.404 -2.705 1.00 0.00 C ATOM 1060 CG HIS A 71 0.328 -2.995 -1.928 1.00 0.00 C ATOM 1061 ND1 HIS A 71 1.641 -2.721 -2.213 1.00 0.00 N ATOM 1062 CD2 HIS A 71 0.349 -3.885 -0.906 1.00 0.00 C ATOM 1063 CE1 HIS A 71 2.422 -3.407 -1.407 1.00 0.00 C ATOM 1064 NE2 HIS A 71 1.669 -4.126 -0.601 1.00 0.00 N ATOM 0 H HIS A 71 -3.749 -1.179 -2.285 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.988 -1.870 -1.012 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.451 -3.216 -3.051 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.409 -1.916 -3.592 1.00 0.00 H new ATOM 0 HD1 HIS A 71 1.963 -2.082 -2.940 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.511 -4.324 -0.421 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.502 -3.384 -1.406 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.007 -4.756 0.127 1.00 0.00 H new ATOM 1073 N VAL A 72 -1.698 0.966 -1.384 1.00 0.00 N ATOM 1074 CA VAL A 72 -1.185 2.329 -1.306 1.00 0.00 C ATOM 1075 C VAL A 72 -1.313 2.909 0.106 1.00 0.00 C ATOM 1076 O VAL A 72 -2.096 2.426 0.925 1.00 0.00 O ATOM 1077 CB VAL A 72 -1.964 3.232 -2.299 1.00 0.00 C ATOM 1078 CG1 VAL A 72 -3.432 3.313 -1.910 1.00 0.00 C ATOM 1079 CG2 VAL A 72 -1.370 4.628 -2.391 1.00 0.00 C ATOM 0 H VAL A 72 -2.709 0.904 -1.267 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.126 2.300 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.879 2.772 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.961 3.951 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.868 2.314 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.520 3.733 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.948 5.224 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.398 5.101 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.337 4.562 -2.732 1.00 0.00 H new ATOM 1089 N VAL A 73 -0.519 3.930 0.372 1.00 0.00 N ATOM 1090 CA VAL A 73 -0.629 4.724 1.584 1.00 0.00 C ATOM 1091 C VAL A 73 -0.598 6.211 1.236 1.00 0.00 C ATOM 1092 O VAL A 73 0.245 6.654 0.463 1.00 0.00 O ATOM 1093 CB VAL A 73 0.505 4.404 2.586 1.00 0.00 C ATOM 1094 CG1 VAL A 73 1.851 4.302 1.888 1.00 0.00 C ATOM 1095 CG2 VAL A 73 0.570 5.467 3.655 1.00 0.00 C ATOM 0 H VAL A 73 0.228 4.235 -0.252 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.578 4.472 2.058 1.00 0.00 H new ATOM 0 HB VAL A 73 0.281 3.439 3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.625 4.076 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.815 3.508 1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.080 5.249 1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.372 5.231 4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.764 6.435 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.379 5.504 4.190 1.00 0.00 H new ATOM 1105 N ALA A 74 -1.534 6.972 1.785 1.00 0.00 N ATOM 1106 CA ALA A 74 -1.595 8.409 1.539 1.00 0.00 C ATOM 1107 C ALA A 74 -0.386 9.125 2.105 1.00 0.00 C ATOM 1108 O ALA A 74 0.124 8.775 3.171 1.00 0.00 O ATOM 1109 CB ALA A 74 -2.854 8.984 2.145 1.00 0.00 C ATOM 0 H ALA A 74 -2.263 6.619 2.405 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.603 8.560 0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.891 10.057 1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.725 8.506 1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.855 8.804 3.220 1.00 0.00 H new ATOM 1115 N GLY A 75 0.044 10.147 1.388 1.00 0.00 N ATOM 1116 CA GLY A 75 1.214 10.891 1.779 1.00 0.00 C ATOM 1117 C GLY A 75 2.400 10.538 0.915 1.00 0.00 C ATOM 1118 O GLY A 75 3.016 9.502 1.097 1.00 0.00 O ATOM 0 H GLY A 75 -0.404 10.476 0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.011 11.959 1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.447 10.684 2.823 1.00 0.00 H new ATOM 1122 N ALA A 76 2.671 11.387 -0.054 1.00 0.00 N ATOM 1123 CA ALA A 76 3.786 11.240 -0.966 1.00 0.00 C ATOM 1124 C ALA A 76 5.105 11.163 -0.220 1.00 0.00 C ATOM 1125 O ALA A 76 5.558 12.139 0.382 1.00 0.00 O ATOM 1126 CB ALA A 76 3.799 12.405 -1.939 1.00 0.00 C ATOM 0 H ALA A 76 2.108 12.219 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 76 3.663 10.306 -1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.638 12.296 -2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.867 12.418 -2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.902 13.339 -1.387 1.00 0.00 H new ATOM 1132 N TYR A 77 5.693 9.990 -0.245 1.00 0.00 N ATOM 1133 CA TYR A 77 6.990 9.779 0.395 1.00 0.00 C ATOM 1134 C TYR A 77 8.046 9.299 -0.603 1.00 0.00 C ATOM 1135 O TYR A 77 7.985 8.161 -1.076 1.00 0.00 O ATOM 1136 CB TYR A 77 6.920 8.731 1.509 1.00 0.00 C ATOM 1137 CG TYR A 77 5.716 8.778 2.423 1.00 0.00 C ATOM 1138 CD1 TYR A 77 5.406 9.910 3.166 1.00 0.00 C ATOM 1139 CD2 TYR A 77 4.909 7.655 2.570 1.00 0.00 C ATOM 1140 CE1 TYR A 77 4.322 9.920 4.025 1.00 0.00 C ATOM 1141 CE2 TYR A 77 3.823 7.659 3.420 1.00 0.00 C ATOM 1142 CZ TYR A 77 3.533 8.793 4.147 1.00 0.00 C ATOM 1143 OH TYR A 77 2.459 8.797 5.005 1.00 0.00 O ATOM 0 H TYR A 77 5.303 9.163 -0.698 1.00 0.00 H new ATOM 0 HA TYR A 77 7.266 10.750 0.807 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.957 7.744 1.048 1.00 0.00 H new ATOM 0 HB3 TYR A 77 7.815 8.829 2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.019 10.794 3.072 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.137 6.762 2.007 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.093 10.806 4.598 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.204 6.779 3.515 1.00 0.00 H new ATOM 0 HH TYR A 77 1.627 8.791 4.487 1.00 0.00 H new ATOM 1153 N LYS A 78 9.017 10.151 -0.914 1.00 0.00 N ATOM 1154 CA LYS A 78 10.181 9.749 -1.645 1.00 0.00 C ATOM 1155 C LYS A 78 10.998 8.776 -0.817 1.00 0.00 C ATOM 1156 O LYS A 78 10.841 8.739 0.401 1.00 0.00 O ATOM 1157 CB LYS A 78 10.996 10.979 -1.995 1.00 0.00 C ATOM 1158 CG LYS A 78 10.456 11.650 -3.226 1.00 0.00 C ATOM 1159 CD LYS A 78 10.515 10.701 -4.352 1.00 0.00 C ATOM 1160 CE LYS A 78 10.180 11.414 -5.603 1.00 0.00 C ATOM 1161 NZ LYS A 78 11.352 12.113 -6.199 1.00 0.00 N1+ ATOM 0 H LYS A 78 9.005 11.139 -0.659 1.00 0.00 H new ATOM 0 HA LYS A 78 9.887 9.247 -2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.982 11.679 -1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.036 10.696 -2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.429 11.973 -3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.038 12.543 -3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.511 10.264 -4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.817 9.880 -4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.781 10.703 -6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.393 12.141 -5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.073 12.553 -7.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.688 12.848 -5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.115 11.427 -6.371 1.00 0.00 H new ATOM 1175 N ALA A 79 11.882 8.021 -1.449 1.00 0.00 N ATOM 1176 CA ALA A 79 12.622 6.971 -0.748 1.00 0.00 C ATOM 1177 C ALA A 79 13.378 7.530 0.454 1.00 0.00 C ATOM 1178 O ALA A 79 13.629 6.828 1.436 1.00 0.00 O ATOM 1179 CB ALA A 79 13.584 6.281 -1.697 1.00 0.00 C ATOM 0 H ALA A 79 12.107 8.110 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 79 11.899 6.242 -0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.128 5.502 -1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.026 5.834 -2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.291 7.010 -2.093 1.00 0.00 H new ATOM 1185 N THR A 80 13.683 8.815 0.388 1.00 0.00 N ATOM 1186 CA THR A 80 14.496 9.454 1.401 1.00 0.00 C ATOM 1187 C THR A 80 13.679 9.710 2.664 1.00 0.00 C ATOM 1188 O THR A 80 14.216 9.652 3.770 1.00 0.00 O ATOM 1189 CB THR A 80 15.121 10.770 0.879 1.00 0.00 C ATOM 1190 OG1 THR A 80 16.053 11.300 1.831 1.00 0.00 O ATOM 1191 CG2 THR A 80 14.055 11.815 0.578 1.00 0.00 C ATOM 0 H THR A 80 13.377 9.436 -0.361 1.00 0.00 H new ATOM 0 HA THR A 80 15.312 8.775 1.648 1.00 0.00 H new ATOM 0 HB THR A 80 15.644 10.533 -0.047 1.00 0.00 H new ATOM 0 HG1 THR A 80 16.439 12.131 1.483 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.531 12.726 0.214 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.374 11.432 -0.182 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.496 12.037 1.487 1.00 0.00 H new ATOM 1199 N ASP A 81 12.374 9.953 2.505 1.00 0.00 N ATOM 1200 CA ASP A 81 11.504 10.217 3.647 1.00 0.00 C ATOM 1201 C ASP A 81 11.330 8.952 4.475 1.00 0.00 C ATOM 1202 O ASP A 81 11.463 8.966 5.699 1.00 0.00 O ATOM 1203 CB ASP A 81 10.137 10.719 3.171 1.00 0.00 C ATOM 1204 CG ASP A 81 9.246 11.155 4.319 1.00 0.00 C ATOM 1205 OD1 ASP A 81 9.409 12.298 4.794 1.00 0.00 O ATOM 1206 OD2 ASP A 81 8.379 10.367 4.749 1.00 0.00 O1- ATOM 0 H ASP A 81 11.903 9.972 1.601 1.00 0.00 H new ATOM 0 HA ASP A 81 11.966 10.987 4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.279 11.556 2.487 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.639 9.929 2.609 1.00 0.00 H new ATOM 1211 N LEU A 82 11.054 7.857 3.782 1.00 0.00 N ATOM 1212 CA LEU A 82 10.859 6.563 4.406 1.00 0.00 C ATOM 1213 C LEU A 82 12.071 6.125 5.203 1.00 0.00 C ATOM 1214 O LEU A 82 11.968 5.802 6.384 1.00 0.00 O ATOM 1215 CB LEU A 82 10.554 5.539 3.316 1.00 0.00 C ATOM 1216 CG LEU A 82 9.228 5.752 2.593 1.00 0.00 C ATOM 1217 CD1 LEU A 82 8.327 6.689 3.376 1.00 0.00 C ATOM 1218 CD2 LEU A 82 9.468 6.265 1.191 1.00 0.00 C ATOM 0 H LEU A 82 10.959 7.844 2.766 1.00 0.00 H new ATOM 0 HA LEU A 82 10.027 6.639 5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.360 5.559 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.554 4.544 3.761 1.00 0.00 H new ATOM 0 HG LEU A 82 8.718 4.792 2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.388 6.824 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.125 6.263 4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.820 7.654 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.512 6.412 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.003 7.214 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.062 5.540 0.635 1.00 0.00 H new ATOM 1230 N LYS A 83 13.215 6.117 4.553 1.00 0.00 N ATOM 1231 CA LYS A 83 14.436 5.644 5.175 1.00 0.00 C ATOM 1232 C LYS A 83 14.895 6.585 6.284 1.00 0.00 C ATOM 1233 O LYS A 83 15.491 6.149 7.270 1.00 0.00 O ATOM 1234 CB LYS A 83 15.510 5.495 4.116 1.00 0.00 C ATOM 1235 CG LYS A 83 16.775 4.843 4.626 1.00 0.00 C ATOM 1236 CD LYS A 83 17.683 4.411 3.484 1.00 0.00 C ATOM 1237 CE LYS A 83 18.099 5.587 2.609 1.00 0.00 C ATOM 1238 NZ LYS A 83 18.912 6.587 3.352 1.00 0.00 N1+ ATOM 0 H LYS A 83 13.326 6.434 3.590 1.00 0.00 H new ATOM 0 HA LYS A 83 14.244 4.674 5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.114 4.905 3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 83 15.754 6.479 3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.309 5.540 5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 83 16.518 3.976 5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 83 18.572 3.929 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.169 3.669 2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 83 18.671 5.218 1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 83 17.208 6.072 2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 19.255 7.314 2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 18.326 7.034 4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.723 6.113 3.798 1.00 0.00 H new ATOM 1252 N ARG A 84 14.616 7.872 6.110 1.00 0.00 N ATOM 1253 CA ARG A 84 14.864 8.875 7.135 1.00 0.00 C ATOM 1254 C ARG A 84 14.258 8.436 8.456 1.00 0.00 C ATOM 1255 O ARG A 84 14.879 8.525 9.515 1.00 0.00 O ATOM 1256 CB ARG A 84 14.235 10.185 6.711 1.00 0.00 C ATOM 1257 CG ARG A 84 15.172 11.362 6.832 1.00 0.00 C ATOM 1258 CD ARG A 84 14.912 12.365 5.733 1.00 0.00 C ATOM 1259 NE ARG A 84 15.768 13.547 5.835 1.00 0.00 N ATOM 1260 CZ ARG A 84 15.636 14.630 5.066 1.00 0.00 C ATOM 1261 NH1 ARG A 84 14.683 14.684 4.142 1.00 0.00 N1+ ATOM 1262 NH2 ARG A 84 16.458 15.659 5.221 1.00 0.00 N ATOM 0 H ARG A 84 14.211 8.248 5.253 1.00 0.00 H new ATOM 0 HA ARG A 84 15.940 8.998 7.260 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.899 10.101 5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.350 10.369 7.320 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.043 11.838 7.804 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.205 11.018 6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.071 11.888 4.766 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.867 12.674 5.768 1.00 0.00 H new ATOM 0 HE ARG A 84 16.510 13.543 6.535 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.048 13.896 4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.586 15.514 3.557 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.192 15.623 5.928 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.356 16.486 4.633 1.00 0.00 H new ATOM 1276 N MET A 85 13.031 7.956 8.364 1.00 0.00 N ATOM 1277 CA MET A 85 12.307 7.463 9.524 1.00 0.00 C ATOM 1278 C MET A 85 12.725 6.043 9.867 1.00 0.00 C ATOM 1279 O MET A 85 12.860 5.684 11.036 1.00 0.00 O ATOM 1280 CB MET A 85 10.803 7.485 9.268 1.00 0.00 C ATOM 1281 CG MET A 85 10.240 8.867 9.022 1.00 0.00 C ATOM 1282 SD MET A 85 8.472 8.841 8.665 1.00 0.00 S ATOM 1283 CE MET A 85 7.824 8.127 10.176 1.00 0.00 C ATOM 0 H MET A 85 12.510 7.897 7.489 1.00 0.00 H new ATOM 0 HA MET A 85 12.547 8.119 10.360 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.583 6.856 8.406 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.293 7.043 10.124 1.00 0.00 H new ATOM 0 HG2 MET A 85 10.421 9.490 9.898 1.00 0.00 H new ATOM 0 HG3 MET A 85 10.769 9.328 8.188 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.764 8.365 10.266 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.952 7.045 10.151 1.00 0.00 H new ATOM 0 HE3 MET A 85 8.361 8.536 11.031 1.00 0.00 H new ATOM 1293 N GLY A 86 12.934 5.237 8.836 1.00 0.00 N ATOM 1294 CA GLY A 86 13.233 3.834 9.045 1.00 0.00 C ATOM 1295 C GLY A 86 11.976 3.016 9.264 1.00 0.00 C ATOM 1296 O GLY A 86 12.032 1.869 9.706 1.00 0.00 O ATOM 0 H GLY A 86 12.902 5.529 7.859 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.774 3.445 8.182 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.891 3.727 9.908 1.00 0.00 H new ATOM 1300 N ILE A 87 10.838 3.625 8.973 1.00 0.00 N ATOM 1301 CA ILE A 87 9.546 2.995 9.101 1.00 0.00 C ATOM 1302 C ILE A 87 8.526 3.797 8.303 1.00 0.00 C ATOM 1303 O ILE A 87 8.736 4.977 8.017 1.00 0.00 O ATOM 1304 CB ILE A 87 9.115 2.887 10.580 1.00 0.00 C ATOM 1305 CG1 ILE A 87 8.241 1.652 10.812 1.00 0.00 C ATOM 1306 CG2 ILE A 87 8.351 4.128 10.981 1.00 0.00 C ATOM 1307 CD1 ILE A 87 8.172 1.212 12.254 1.00 0.00 C ATOM 0 H ILE A 87 10.792 4.587 8.636 1.00 0.00 H new ATOM 0 HA ILE A 87 9.607 1.980 8.709 1.00 0.00 H new ATOM 0 HB ILE A 87 10.014 2.792 11.190 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.232 1.862 10.458 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.625 0.829 10.209 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.049 4.048 12.025 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.987 5.004 10.854 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.465 4.229 10.354 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.534 0.332 12.336 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.174 0.969 12.608 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.758 2.017 12.861 1.00 0.00 H new ATOM 1319 N VAL A 88 7.450 3.146 7.937 1.00 0.00 N ATOM 1320 CA VAL A 88 6.377 3.765 7.183 1.00 0.00 C ATOM 1321 C VAL A 88 5.037 3.419 7.800 1.00 0.00 C ATOM 1322 O VAL A 88 4.862 2.321 8.307 1.00 0.00 O ATOM 1323 CB VAL A 88 6.406 3.278 5.727 1.00 0.00 C ATOM 1324 CG1 VAL A 88 7.580 3.897 5.014 1.00 0.00 C ATOM 1325 CG2 VAL A 88 6.505 1.762 5.672 1.00 0.00 C ATOM 0 H VAL A 88 7.288 2.162 8.154 1.00 0.00 H new ATOM 0 HA VAL A 88 6.517 4.846 7.206 1.00 0.00 H new ATOM 0 HB VAL A 88 5.481 3.580 5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.601 3.552 3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.485 4.983 5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.504 3.605 5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.524 1.436 4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.419 1.439 6.171 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.643 1.323 6.174 1.00 0.00 H new ATOM 1335 N THR A 89 4.100 4.343 7.782 1.00 0.00 N ATOM 1336 CA THR A 89 2.786 4.062 8.324 1.00 0.00 C ATOM 1337 C THR A 89 1.768 3.905 7.208 1.00 0.00 C ATOM 1338 O THR A 89 1.743 4.682 6.261 1.00 0.00 O ATOM 1339 CB THR A 89 2.315 5.157 9.293 1.00 0.00 C ATOM 1340 OG1 THR A 89 3.409 5.575 10.120 1.00 0.00 O ATOM 1341 CG2 THR A 89 1.186 4.624 10.165 1.00 0.00 C ATOM 0 H THR A 89 4.219 5.283 7.404 1.00 0.00 H new ATOM 0 HA THR A 89 2.867 3.128 8.880 1.00 0.00 H new ATOM 0 HB THR A 89 1.952 6.010 8.719 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.105 6.275 10.735 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.856 5.405 10.850 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.352 4.319 9.534 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.541 3.766 10.736 1.00 0.00 H new ATOM 1349 N SER A 90 0.952 2.873 7.326 1.00 0.00 N ATOM 1350 CA SER A 90 -0.086 2.579 6.363 1.00 0.00 C ATOM 1351 C SER A 90 -1.237 3.571 6.488 1.00 0.00 C ATOM 1352 O SER A 90 -1.353 4.248 7.506 1.00 0.00 O ATOM 1353 CB SER A 90 -0.580 1.148 6.593 1.00 0.00 C ATOM 1354 OG SER A 90 0.431 0.211 6.276 1.00 0.00 O ATOM 0 H SER A 90 0.994 2.211 8.101 1.00 0.00 H new ATOM 0 HA SER A 90 0.318 2.669 5.355 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.883 1.026 7.633 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.462 0.960 5.980 1.00 0.00 H new ATOM 0 HG SER A 90 1.100 0.196 6.992 1.00 0.00 H new ATOM 1360 N LEU A 91 -2.077 3.655 5.461 1.00 0.00 N ATOM 1361 CA LEU A 91 -3.244 4.533 5.488 1.00 0.00 C ATOM 1362 C LEU A 91 -4.083 4.270 6.736 1.00 0.00 C ATOM 1363 O LEU A 91 -4.626 5.188 7.349 1.00 0.00 O ATOM 1364 CB LEU A 91 -4.085 4.307 4.230 1.00 0.00 C ATOM 1365 CG LEU A 91 -4.890 5.510 3.764 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -4.176 6.789 4.100 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -5.118 5.434 2.277 1.00 0.00 C ATOM 0 H LEU A 91 -1.971 3.124 4.596 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.906 5.569 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.423 3.997 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.771 3.480 4.415 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.851 5.499 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.769 7.637 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.037 6.855 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.204 6.803 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.695 6.300 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.158 5.425 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.666 4.522 2.039 1.00 0.00 H new ATOM 1379 N GLU A 92 -4.147 3.002 7.114 1.00 0.00 N ATOM 1380 CA GLU A 92 -4.915 2.575 8.279 1.00 0.00 C ATOM 1381 C GLU A 92 -4.179 2.945 9.562 1.00 0.00 C ATOM 1382 O GLU A 92 -4.791 3.205 10.598 1.00 0.00 O ATOM 1383 CB GLU A 92 -5.152 1.063 8.218 1.00 0.00 C ATOM 1384 CG GLU A 92 -3.876 0.239 8.288 1.00 0.00 C ATOM 1385 CD GLU A 92 -3.753 -0.529 9.585 1.00 0.00 C ATOM 1386 OE1 GLU A 92 -3.832 0.095 10.656 1.00 0.00 O ATOM 1387 OE2 GLU A 92 -3.558 -1.754 9.533 1.00 0.00 O1- ATOM 0 H GLU A 92 -3.672 2.242 6.627 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.879 3.085 8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.806 0.774 9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.678 0.824 7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.852 -0.460 7.452 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.015 0.898 8.177 1.00 0.00 H new ATOM 1394 N GLY A 93 -2.859 2.996 9.462 1.00 0.00 N ATOM 1395 CA GLY A 93 -2.033 3.292 10.613 1.00 0.00 C ATOM 1396 C GLY A 93 -1.014 2.207 10.929 1.00 0.00 C ATOM 1397 O GLY A 93 -0.316 2.293 11.939 1.00 0.00 O ATOM 0 H GLY A 93 -2.343 2.836 8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.508 4.232 10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.675 3.440 11.482 1.00 0.00 H new ATOM 1401 N SER A 94 -0.911 1.185 10.081 1.00 0.00 N ATOM 1402 CA SER A 94 0.053 0.121 10.309 1.00 0.00 C ATOM 1403 C SER A 94 1.460 0.515 9.863 1.00 0.00 C ATOM 1404 O SER A 94 1.694 0.804 8.693 1.00 0.00 O ATOM 1405 CB SER A 94 -0.389 -1.150 9.587 1.00 0.00 C ATOM 1406 OG SER A 94 -1.172 -1.975 10.435 1.00 0.00 O ATOM 0 H SER A 94 -1.478 1.075 9.240 1.00 0.00 H new ATOM 0 HA SER A 94 0.090 -0.063 11.383 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.964 -0.886 8.700 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.487 -1.702 9.246 1.00 0.00 H new ATOM 0 HG SER A 94 -1.977 -2.265 9.957 1.00 0.00 H new ATOM 1412 N THR A 95 2.394 0.501 10.799 1.00 0.00 N ATOM 1413 CA THR A 95 3.787 0.797 10.506 1.00 0.00 C ATOM 1414 C THR A 95 4.545 -0.410 9.942 1.00 0.00 C ATOM 1415 O THR A 95 4.366 -1.545 10.382 1.00 0.00 O ATOM 1416 CB THR A 95 4.508 1.312 11.760 1.00 0.00 C ATOM 1417 OG1 THR A 95 3.721 1.023 12.924 1.00 0.00 O ATOM 1418 CG2 THR A 95 4.763 2.808 11.662 1.00 0.00 C ATOM 0 H THR A 95 2.210 0.285 11.779 1.00 0.00 H new ATOM 0 HA THR A 95 3.780 1.571 9.738 1.00 0.00 H new ATOM 0 HB THR A 95 5.470 0.806 11.839 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.185 1.351 13.722 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.275 3.150 12.562 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.384 3.015 10.791 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.813 3.333 11.563 1.00 0.00 H new ATOM 1426 N ILE A 96 5.383 -0.132 8.953 1.00 0.00 N ATOM 1427 CA ILE A 96 6.248 -1.121 8.330 1.00 0.00 C ATOM 1428 C ILE A 96 7.683 -0.592 8.343 1.00 0.00 C ATOM 1429 O ILE A 96 7.925 0.533 7.927 1.00 0.00 O ATOM 1430 CB ILE A 96 5.807 -1.441 6.872 1.00 0.00 C ATOM 1431 CG1 ILE A 96 4.656 -2.450 6.840 1.00 0.00 C ATOM 1432 CG2 ILE A 96 6.960 -1.962 6.039 1.00 0.00 C ATOM 1433 CD1 ILE A 96 3.294 -1.846 7.113 1.00 0.00 C ATOM 0 H ILE A 96 5.482 0.802 8.556 1.00 0.00 H new ATOM 0 HA ILE A 96 6.180 -2.050 8.896 1.00 0.00 H new ATOM 0 HB ILE A 96 5.462 -0.501 6.441 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.638 -2.933 5.863 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.850 -3.229 7.577 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.612 -2.174 5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.750 -1.212 6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.349 -2.876 6.488 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.535 -2.627 7.072 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.291 -1.388 8.102 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.075 -1.087 6.362 1.00 0.00 H new ATOM 1445 N PRO A 97 8.650 -1.366 8.845 1.00 0.00 N ATOM 1446 CA PRO A 97 10.023 -0.889 9.005 1.00 0.00 C ATOM 1447 C PRO A 97 10.767 -0.763 7.688 1.00 0.00 C ATOM 1448 O PRO A 97 10.755 -1.667 6.849 1.00 0.00 O ATOM 1449 CB PRO A 97 10.694 -1.942 9.894 1.00 0.00 C ATOM 1450 CG PRO A 97 9.631 -2.934 10.251 1.00 0.00 C ATOM 1451 CD PRO A 97 8.500 -2.754 9.282 1.00 0.00 C ATOM 0 HA PRO A 97 10.035 0.113 9.433 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.517 -2.427 9.368 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.114 -1.484 10.789 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.022 -3.950 10.199 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.288 -2.777 11.274 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.572 -3.449 8.446 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.533 -2.925 9.756 1.00 0.00 H new ATOM 1459 N ILE A 98 11.409 0.377 7.528 1.00 0.00 N ATOM 1460 CA ILE A 98 12.211 0.664 6.366 1.00 0.00 C ATOM 1461 C ILE A 98 13.676 0.352 6.616 1.00 0.00 C ATOM 1462 O ILE A 98 14.232 0.659 7.671 1.00 0.00 O ATOM 1463 CB ILE A 98 12.056 2.140 5.956 1.00 0.00 C ATOM 1464 CG1 ILE A 98 10.616 2.403 5.533 1.00 0.00 C ATOM 1465 CG2 ILE A 98 13.026 2.506 4.845 1.00 0.00 C ATOM 1466 CD1 ILE A 98 10.177 1.581 4.344 1.00 0.00 C ATOM 0 H ILE A 98 11.385 1.135 8.211 1.00 0.00 H new ATOM 0 HA ILE A 98 11.857 0.027 5.555 1.00 0.00 H new ATOM 0 HB ILE A 98 12.294 2.770 6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.955 2.193 6.374 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.503 3.461 5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.893 3.554 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.048 2.346 5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 98 12.833 1.881 3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.142 1.820 4.099 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.814 1.808 3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.257 0.521 4.585 1.00 0.00 H new ATOM 1478 N HIS A 99 14.274 -0.282 5.633 1.00 0.00 N ATOM 1479 CA HIS A 99 15.693 -0.591 5.643 1.00 0.00 C ATOM 1480 C HIS A 99 16.290 -0.072 4.345 1.00 0.00 C ATOM 1481 O HIS A 99 15.566 0.484 3.515 1.00 0.00 O ATOM 1482 CB HIS A 99 15.944 -2.097 5.778 1.00 0.00 C ATOM 1483 CG HIS A 99 15.218 -2.751 6.917 1.00 0.00 C ATOM 1484 ND1 HIS A 99 15.824 -3.089 8.106 1.00 0.00 N ATOM 1485 CD2 HIS A 99 13.928 -3.147 7.033 1.00 0.00 C ATOM 1486 CE1 HIS A 99 14.942 -3.661 8.902 1.00 0.00 C ATOM 1487 NE2 HIS A 99 13.781 -3.709 8.277 1.00 0.00 N ATOM 0 H HIS A 99 13.788 -0.602 4.795 1.00 0.00 H new ATOM 0 HA HIS A 99 16.161 -0.114 6.504 1.00 0.00 H new ATOM 0 HB2 HIS A 99 15.651 -2.586 4.849 1.00 0.00 H new ATOM 0 HB3 HIS A 99 17.014 -2.264 5.902 1.00 0.00 H new ATOM 0 HD2 HIS A 99 13.157 -3.040 6.285 1.00 0.00 H new ATOM 0 HE1 HIS A 99 15.137 -4.029 9.899 1.00 0.00 H new ATOM 0 HE2 HIS A 99 12.918 -4.099 8.655 1.00 0.00 H new ATOM 1496 N GLY A 100 17.587 -0.218 4.167 1.00 0.00 N ATOM 1497 CA GLY A 100 18.187 0.212 2.924 1.00 0.00 C ATOM 1498 C GLY A 100 19.690 0.323 2.994 1.00 0.00 C ATOM 1499 O GLY A 100 20.225 1.146 3.736 1.00 0.00 O ATOM 0 H GLY A 100 18.231 -0.620 4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 100 17.918 -0.492 2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 100 17.771 1.179 2.643 1.00 0.00 H new ATOM 1503 N ASP A 101 20.370 -0.512 2.226 1.00 0.00 N ATOM 1504 CA ASP A 101 21.816 -0.422 2.103 1.00 0.00 C ATOM 1505 C ASP A 101 22.156 0.214 0.764 1.00 0.00 C ATOM 1506 O ASP A 101 22.863 1.218 0.698 1.00 0.00 O ATOM 1507 CB ASP A 101 22.463 -1.804 2.210 1.00 0.00 C ATOM 1508 CG ASP A 101 23.957 -1.726 2.462 1.00 0.00 C ATOM 1509 OD1 ASP A 101 24.731 -1.588 1.493 1.00 0.00 O ATOM 1510 OD2 ASP A 101 24.364 -1.809 3.640 1.00 0.00 O1- ATOM 0 H ASP A 101 19.944 -1.260 1.678 1.00 0.00 H new ATOM 0 HA ASP A 101 22.206 0.191 2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 101 21.990 -2.362 3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 101 22.281 -2.359 1.290 1.00 0.00 H new ATOM 1515 N ASN A 102 21.617 -0.363 -0.303 1.00 0.00 N ATOM 1516 CA ASN A 102 21.767 0.211 -1.633 1.00 0.00 C ATOM 1517 C ASN A 102 20.405 0.665 -2.173 1.00 0.00 C ATOM 1518 O ASN A 102 20.227 1.851 -2.454 1.00 0.00 O ATOM 1519 CB ASN A 102 22.465 -0.761 -2.600 1.00 0.00 C ATOM 1520 CG ASN A 102 23.898 -1.052 -2.208 1.00 0.00 C ATOM 1521 OD1 ASN A 102 24.169 -2.004 -1.479 1.00 0.00 O ATOM 1522 ND2 ASN A 102 24.822 -0.236 -2.685 1.00 0.00 N ATOM 0 H ASN A 102 21.074 -1.226 -0.273 1.00 0.00 H new ATOM 0 HA ASN A 102 22.411 1.086 -1.552 1.00 0.00 H new ATOM 0 HB2 ASN A 102 21.906 -1.696 -2.634 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.447 -0.341 -3.606 1.00 0.00 H new ATOM 0 HD21 ASN A 102 25.804 -0.385 -2.451 1.00 0.00 H new ATOM 0 HD22 ASN A 102 24.553 0.542 -3.287 1.00 0.00 H new ATOM 1529 N PRO A 103 19.409 -0.244 -2.323 1.00 0.00 N ATOM 1530 CA PRO A 103 18.046 0.147 -2.665 1.00 0.00 C ATOM 1531 C PRO A 103 17.221 0.399 -1.409 1.00 0.00 C ATOM 1532 O PRO A 103 17.694 0.168 -0.292 1.00 0.00 O ATOM 1533 CB PRO A 103 17.541 -1.091 -3.385 1.00 0.00 C ATOM 1534 CG PRO A 103 18.125 -2.200 -2.599 1.00 0.00 C ATOM 1535 CD PRO A 103 19.496 -1.722 -2.195 1.00 0.00 C ATOM 0 HA PRO A 103 17.986 1.065 -3.250 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.452 -1.135 -3.396 1.00 0.00 H new ATOM 0 HB3 PRO A 103 17.871 -1.116 -4.424 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.514 -2.427 -1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 103 18.185 -3.113 -3.192 1.00 0.00 H new ATOM 0 HD2 PRO A 103 19.740 -2.021 -1.176 1.00 0.00 H new ATOM 0 HD3 PRO A 103 20.270 -2.135 -2.842 1.00 0.00 H new ATOM 1543 N LEU A 104 16.007 0.885 -1.582 1.00 0.00 N ATOM 1544 CA LEU A 104 15.098 1.014 -0.462 1.00 0.00 C ATOM 1545 C LEU A 104 14.555 -0.356 -0.096 1.00 0.00 C ATOM 1546 O LEU A 104 14.475 -1.251 -0.940 1.00 0.00 O ATOM 1547 CB LEU A 104 13.946 1.954 -0.789 1.00 0.00 C ATOM 1548 CG LEU A 104 13.105 2.395 0.412 1.00 0.00 C ATOM 1549 CD1 LEU A 104 13.866 3.391 1.276 1.00 0.00 C ATOM 1550 CD2 LEU A 104 11.792 2.987 -0.055 1.00 0.00 C ATOM 0 H LEU A 104 15.631 1.194 -2.478 1.00 0.00 H new ATOM 0 HA LEU A 104 15.647 1.435 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.349 2.842 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.292 1.464 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 104 12.894 1.516 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.246 3.688 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.782 2.929 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.116 4.271 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.204 3.296 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 104 11.988 3.852 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.237 2.240 -0.622 1.00 0.00 H new ATOM 1562 N GLU A 105 14.170 -0.510 1.153 1.00 0.00 N ATOM 1563 CA GLU A 105 13.757 -1.800 1.672 1.00 0.00 C ATOM 1564 C GLU A 105 12.546 -1.626 2.570 1.00 0.00 C ATOM 1565 O GLU A 105 12.643 -1.109 3.681 1.00 0.00 O ATOM 1566 CB GLU A 105 14.906 -2.443 2.445 1.00 0.00 C ATOM 1567 CG GLU A 105 16.135 -2.712 1.594 1.00 0.00 C ATOM 1568 CD GLU A 105 16.253 -4.161 1.168 1.00 0.00 C ATOM 1569 OE1 GLU A 105 15.217 -4.800 0.908 1.00 0.00 O ATOM 1570 OE2 GLU A 105 17.391 -4.670 1.095 1.00 0.00 O1- ATOM 0 H GLU A 105 14.134 0.248 1.834 1.00 0.00 H new ATOM 0 HA GLU A 105 13.489 -2.454 0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.184 -1.793 3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.561 -3.382 2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.102 -2.080 0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.027 -2.430 2.153 1.00 0.00 H new ATOM 1577 N VAL A 106 11.409 -2.045 2.070 1.00 0.00 N ATOM 1578 CA VAL A 106 10.154 -1.908 2.773 1.00 0.00 C ATOM 1579 C VAL A 106 9.644 -3.289 3.151 1.00 0.00 C ATOM 1580 O VAL A 106 9.613 -4.169 2.301 1.00 0.00 O ATOM 1581 CB VAL A 106 9.137 -1.143 1.880 1.00 0.00 C ATOM 1582 CG1 VAL A 106 9.466 -1.342 0.407 1.00 0.00 C ATOM 1583 CG2 VAL A 106 7.696 -1.563 2.152 1.00 0.00 C ATOM 0 H VAL A 106 11.327 -2.494 1.158 1.00 0.00 H new ATOM 0 HA VAL A 106 10.291 -1.332 3.688 1.00 0.00 H new ATOM 0 HB VAL A 106 9.225 -0.086 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 106 8.744 -0.800 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.469 -0.965 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.421 -2.404 0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.024 -1.000 1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.584 -2.629 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.448 -1.360 3.194 1.00 0.00 H new ATOM 1593 N LYS A 107 9.303 -3.484 4.435 1.00 0.00 N ATOM 1594 CA LYS A 107 8.818 -4.775 4.944 1.00 0.00 C ATOM 1595 C LYS A 107 9.785 -5.897 4.548 1.00 0.00 C ATOM 1596 O LYS A 107 11.000 -5.719 4.626 1.00 0.00 O ATOM 1597 CB LYS A 107 7.355 -5.060 4.494 1.00 0.00 C ATOM 1598 CG LYS A 107 7.143 -5.265 2.994 1.00 0.00 C ATOM 1599 CD LYS A 107 5.704 -5.010 2.571 1.00 0.00 C ATOM 1600 CE LYS A 107 4.746 -6.007 3.193 1.00 0.00 C ATOM 1601 NZ LYS A 107 4.986 -7.395 2.713 1.00 0.00 N1+ ATOM 0 H LYS A 107 9.356 -2.754 5.146 1.00 0.00 H new ATOM 0 HA LYS A 107 8.792 -4.730 6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 107 7.002 -5.950 5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.728 -4.230 4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.805 -4.598 2.442 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.422 -6.284 2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.414 -4.000 2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 107 5.630 -5.065 1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.848 -5.977 4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 107 3.721 -5.717 2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.143 -7.976 2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.183 -7.380 1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.801 -7.801 3.217 1.00 0.00 H new ATOM 1615 N ASN A 108 9.264 -7.038 4.134 1.00 0.00 N ATOM 1616 CA ASN A 108 10.104 -8.122 3.642 1.00 0.00 C ATOM 1617 C ASN A 108 10.309 -7.984 2.132 1.00 0.00 C ATOM 1618 O ASN A 108 10.477 -8.972 1.416 1.00 0.00 O ATOM 1619 CB ASN A 108 9.479 -9.483 3.982 1.00 0.00 C ATOM 1620 CG ASN A 108 8.097 -9.683 3.380 1.00 0.00 C ATOM 1621 OD1 ASN A 108 7.340 -8.729 3.177 1.00 0.00 O ATOM 1622 ND2 ASN A 108 7.753 -10.930 3.099 1.00 0.00 N ATOM 0 H ASN A 108 8.264 -7.241 4.128 1.00 0.00 H new ATOM 0 HA ASN A 108 11.076 -8.062 4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.139 -10.275 3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 108 9.413 -9.583 5.065 1.00 0.00 H new ATOM 0 HD21 ASN A 108 6.835 -11.128 2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 108 8.406 -11.692 3.281 1.00 0.00 H new ATOM 1629 N ALA A 109 10.304 -6.743 1.663 1.00 0.00 N ATOM 1630 CA ALA A 109 10.406 -6.451 0.245 1.00 0.00 C ATOM 1631 C ALA A 109 11.579 -5.520 -0.041 1.00 0.00 C ATOM 1632 O ALA A 109 12.041 -4.798 0.839 1.00 0.00 O ATOM 1633 CB ALA A 109 9.108 -5.830 -0.248 1.00 0.00 C ATOM 0 H ALA A 109 10.229 -5.916 2.255 1.00 0.00 H new ATOM 0 HA ALA A 109 10.582 -7.386 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 109 9.190 -5.613 -1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.286 -6.526 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.917 -4.906 0.297 1.00 0.00 H new ATOM 1639 N THR A 110 12.029 -5.524 -1.283 1.00 0.00 N ATOM 1640 CA THR A 110 13.148 -4.725 -1.707 1.00 0.00 C ATOM 1641 C THR A 110 12.723 -3.898 -2.895 1.00 0.00 C ATOM 1642 O THR A 110 12.025 -4.391 -3.778 1.00 0.00 O ATOM 1643 CB THR A 110 14.349 -5.599 -2.105 1.00 0.00 C ATOM 1644 OG1 THR A 110 14.676 -6.486 -1.032 1.00 0.00 O ATOM 1645 CG2 THR A 110 15.560 -4.743 -2.441 1.00 0.00 C ATOM 0 H THR A 110 11.619 -6.089 -2.027 1.00 0.00 H new ATOM 0 HA THR A 110 13.456 -4.089 -0.877 1.00 0.00 H new ATOM 0 HB THR A 110 14.075 -6.173 -2.990 1.00 0.00 H new ATOM 0 HG1 THR A 110 14.933 -5.964 -0.243 1.00 0.00 H new ATOM 0 HG21 THR A 110 16.395 -5.387 -2.719 1.00 0.00 H new ATOM 0 HG22 THR A 110 15.319 -4.082 -3.273 1.00 0.00 H new ATOM 0 HG23 THR A 110 15.836 -4.146 -1.572 1.00 0.00 H new ATOM 1653 N VAL A 111 13.119 -2.655 -2.909 1.00 0.00 N ATOM 1654 CA VAL A 111 12.732 -1.763 -3.975 1.00 0.00 C ATOM 1655 C VAL A 111 13.597 -1.958 -5.217 1.00 0.00 C ATOM 1656 O VAL A 111 14.826 -1.900 -5.162 1.00 0.00 O ATOM 1657 CB VAL A 111 12.781 -0.301 -3.511 1.00 0.00 C ATOM 1658 CG1 VAL A 111 12.935 0.636 -4.691 1.00 0.00 C ATOM 1659 CG2 VAL A 111 11.527 0.042 -2.720 1.00 0.00 C ATOM 0 H VAL A 111 13.711 -2.233 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 111 11.705 -2.008 -4.244 1.00 0.00 H new ATOM 0 HB VAL A 111 13.649 -0.176 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.967 1.666 -4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 111 13.860 0.406 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.089 0.512 -5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.574 1.082 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.649 -0.103 -3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 111 11.459 -0.607 -1.847 1.00 0.00 H new ATOM 1669 N LEU A 112 12.926 -2.198 -6.334 1.00 0.00 N ATOM 1670 CA LEU A 112 13.578 -2.318 -7.623 1.00 0.00 C ATOM 1671 C LEU A 112 13.678 -0.947 -8.269 1.00 0.00 C ATOM 1672 O LEU A 112 14.649 -0.634 -8.958 1.00 0.00 O ATOM 1673 CB LEU A 112 12.807 -3.262 -8.548 1.00 0.00 C ATOM 1674 CG LEU A 112 12.854 -4.737 -8.170 1.00 0.00 C ATOM 1675 CD1 LEU A 112 11.852 -4.998 -7.075 1.00 0.00 C ATOM 1676 CD2 LEU A 112 12.575 -5.613 -9.381 1.00 0.00 C ATOM 0 H LEU A 112 11.913 -2.315 -6.369 1.00 0.00 H new ATOM 0 HA LEU A 112 14.574 -2.731 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 112 11.764 -2.945 -8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 112 13.199 -3.152 -9.559 1.00 0.00 H new ATOM 0 HG LEU A 112 13.852 -4.985 -7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.880 -6.052 -6.800 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.097 -4.389 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.853 -4.742 -7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.614 -6.662 -9.088 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.586 -5.383 -9.776 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.325 -5.423 -10.148 1.00 0.00 H new ATOM 1688 N ALA A 113 12.648 -0.142 -8.040 1.00 0.00 N ATOM 1689 CA ALA A 113 12.591 1.223 -8.556 1.00 0.00 C ATOM 1690 C ALA A 113 11.642 2.072 -7.717 1.00 0.00 C ATOM 1691 O ALA A 113 10.444 1.811 -7.678 1.00 0.00 O ATOM 1692 CB ALA A 113 12.144 1.225 -10.009 1.00 0.00 C ATOM 0 H ALA A 113 11.831 -0.414 -7.494 1.00 0.00 H new ATOM 0 HA ALA A 113 13.591 1.652 -8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 113 12.107 2.250 -10.377 1.00 0.00 H new ATOM 0 HB2 ALA A 113 12.850 0.650 -10.608 1.00 0.00 H new ATOM 0 HB3 ALA A 113 11.154 0.776 -10.086 1.00 0.00 H new ATOM 1698 N ALA A 114 12.171 3.075 -7.034 1.00 0.00 N ATOM 1699 CA ALA A 114 11.366 3.925 -6.190 1.00 0.00 C ATOM 1700 C ALA A 114 11.766 5.365 -6.370 1.00 0.00 C ATOM 1701 O ALA A 114 12.569 5.678 -7.245 1.00 0.00 O ATOM 1702 CB ALA A 114 11.524 3.521 -4.745 1.00 0.00 C ATOM 0 H ALA A 114 13.162 3.316 -7.052 1.00 0.00 H new ATOM 0 HA ALA A 114 10.320 3.812 -6.476 1.00 0.00 H new ATOM 0 HB1 ALA A 114 10.912 4.169 -4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.204 2.487 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.570 3.615 -4.453 1.00 0.00 H new ATOM 1708 N ASP A 115 11.177 6.230 -5.547 1.00 0.00 N ATOM 1709 CA ASP A 115 11.409 7.663 -5.634 1.00 0.00 C ATOM 1710 C ASP A 115 10.715 8.167 -6.890 1.00 0.00 C ATOM 1711 O ASP A 115 11.129 9.122 -7.538 1.00 0.00 O ATOM 1712 CB ASP A 115 12.923 7.951 -5.636 1.00 0.00 C ATOM 1713 CG ASP A 115 13.272 9.405 -5.382 1.00 0.00 C ATOM 1714 OD1 ASP A 115 13.284 10.207 -6.337 1.00 0.00 O ATOM 1715 OD2 ASP A 115 13.534 9.752 -4.214 1.00 0.00 O1- ATOM 0 H ASP A 115 10.530 5.956 -4.807 1.00 0.00 H new ATOM 0 HA ASP A 115 10.997 8.188 -4.772 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.401 7.334 -4.875 1.00 0.00 H new ATOM 0 HB3 ASP A 115 13.339 7.650 -6.598 1.00 0.00 H new ATOM 1720 N ILE A 116 9.624 7.486 -7.198 1.00 0.00 N ATOM 1721 CA ILE A 116 8.832 7.746 -8.368 1.00 0.00 C ATOM 1722 C ILE A 116 7.694 8.678 -8.012 1.00 0.00 C ATOM 1723 O ILE A 116 6.857 8.337 -7.189 1.00 0.00 O ATOM 1724 CB ILE A 116 8.231 6.434 -8.900 1.00 0.00 C ATOM 1725 CG1 ILE A 116 9.295 5.334 -8.926 1.00 0.00 C ATOM 1726 CG2 ILE A 116 7.627 6.643 -10.274 1.00 0.00 C ATOM 1727 CD1 ILE A 116 8.834 4.035 -9.556 1.00 0.00 C ATOM 0 H ILE A 116 9.265 6.723 -6.624 1.00 0.00 H new ATOM 0 HA ILE A 116 9.470 8.197 -9.128 1.00 0.00 H new ATOM 0 HB ILE A 116 7.433 6.118 -8.229 1.00 0.00 H new ATOM 0 HG12 ILE A 116 10.165 5.700 -9.471 1.00 0.00 H new ATOM 0 HG13 ILE A 116 9.619 5.134 -7.905 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.207 5.704 -10.634 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.839 7.394 -10.215 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.400 6.982 -10.964 1.00 0.00 H new ATOM 0 HD11 ILE A 116 9.648 3.311 -9.534 1.00 0.00 H new ATOM 0 HD12 ILE A 116 7.983 3.642 -8.999 1.00 0.00 H new ATOM 0 HD13 ILE A 116 8.538 4.217 -10.589 1.00 0.00 H new ATOM 1739 N GLU A 117 7.679 9.854 -8.586 1.00 0.00 N ATOM 1740 CA GLU A 117 6.556 10.757 -8.402 1.00 0.00 C ATOM 1741 C GLU A 117 5.320 10.185 -9.079 1.00 0.00 C ATOM 1742 O GLU A 117 5.220 10.163 -10.305 1.00 0.00 O ATOM 1743 CB GLU A 117 6.875 12.140 -8.951 1.00 0.00 C ATOM 1744 CG GLU A 117 8.126 12.743 -8.342 1.00 0.00 C ATOM 1745 CD GLU A 117 8.406 14.150 -8.829 1.00 0.00 C ATOM 1746 OE1 GLU A 117 7.754 15.095 -8.340 1.00 0.00 O ATOM 1747 OE2 GLU A 117 9.301 14.316 -9.684 1.00 0.00 O1- ATOM 0 H GLU A 117 8.424 10.213 -9.183 1.00 0.00 H new ATOM 0 HA GLU A 117 6.361 10.859 -7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 117 6.998 12.077 -10.032 1.00 0.00 H new ATOM 0 HB3 GLU A 117 6.030 12.803 -8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.025 12.754 -7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.980 12.107 -8.577 1.00 0.00 H new ATOM 1754 N ALA A 118 4.390 9.711 -8.265 1.00 0.00 N ATOM 1755 CA ALA A 118 3.201 9.042 -8.769 1.00 0.00 C ATOM 1756 C ALA A 118 2.160 10.026 -9.268 1.00 0.00 C ATOM 1757 O ALA A 118 2.381 11.240 -9.278 1.00 0.00 O ATOM 1758 CB ALA A 118 2.571 8.162 -7.698 1.00 0.00 C ATOM 0 H ALA A 118 4.436 9.778 -7.248 1.00 0.00 H new ATOM 0 HA ALA A 118 3.529 8.426 -9.606 1.00 0.00 H new ATOM 0 HB1 ALA A 118 1.684 7.674 -8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.288 7.405 -7.381 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.289 8.776 -6.842 1.00 0.00 H new ATOM 1764 N GLU A 119 1.033 9.474 -9.681 1.00 0.00 N ATOM 1765 CA GLU A 119 -0.133 10.251 -10.065 1.00 0.00 C ATOM 1766 C GLU A 119 -0.485 11.290 -9.003 1.00 0.00 C ATOM 1767 O GLU A 119 -0.668 12.468 -9.310 1.00 0.00 O ATOM 1768 CB GLU A 119 -1.310 9.304 -10.292 1.00 0.00 C ATOM 1769 CG GLU A 119 -1.387 8.168 -9.277 1.00 0.00 C ATOM 1770 CD GLU A 119 -2.591 7.281 -9.501 1.00 0.00 C ATOM 1771 OE1 GLU A 119 -3.708 7.679 -9.112 1.00 0.00 O ATOM 1772 OE2 GLU A 119 -2.430 6.186 -10.079 1.00 0.00 O1- ATOM 0 H GLU A 119 0.900 8.466 -9.760 1.00 0.00 H new ATOM 0 HA GLU A 119 0.092 10.789 -10.986 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -2.237 9.876 -10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.236 8.880 -11.294 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.479 7.567 -9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.427 8.585 -8.271 1.00 0.00 H new ATOM 1779 N ASN A 120 -0.573 10.851 -7.754 1.00 0.00 N ATOM 1780 CA ASN A 120 -0.913 11.751 -6.660 1.00 0.00 C ATOM 1781 C ASN A 120 0.202 11.835 -5.625 1.00 0.00 C ATOM 1782 O ASN A 120 0.217 12.743 -4.803 1.00 0.00 O ATOM 1783 CB ASN A 120 -2.214 11.314 -5.978 1.00 0.00 C ATOM 1784 CG ASN A 120 -3.441 11.563 -6.834 1.00 0.00 C ATOM 1785 OD1 ASN A 120 -4.010 12.654 -6.819 1.00 0.00 O ATOM 1786 ND2 ASN A 120 -3.875 10.546 -7.563 1.00 0.00 N ATOM 0 H ASN A 120 -0.415 9.883 -7.474 1.00 0.00 H new ATOM 0 HA ASN A 120 -1.049 12.741 -7.096 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -2.154 10.252 -5.738 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -2.321 11.849 -5.034 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -4.710 10.651 -8.140 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -3.375 9.657 -7.548 1.00 0.00 H new ATOM 1793 N GLY A 121 1.134 10.891 -5.653 1.00 0.00 N ATOM 1794 CA GLY A 121 2.164 10.859 -4.628 1.00 0.00 C ATOM 1795 C GLY A 121 3.476 10.309 -5.112 1.00 0.00 C ATOM 1796 O GLY A 121 4.185 10.942 -5.888 1.00 0.00 O ATOM 0 H GLY A 121 1.197 10.155 -6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 121 2.320 11.869 -4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 121 1.813 10.256 -3.791 1.00 0.00 H new ATOM 1800 N ILE A 122 3.788 9.126 -4.640 1.00 0.00 N ATOM 1801 CA ILE A 122 5.050 8.474 -4.921 1.00 0.00 C ATOM 1802 C ILE A 122 4.831 6.981 -5.133 1.00 0.00 C ATOM 1803 O ILE A 122 3.904 6.399 -4.582 1.00 0.00 O ATOM 1804 CB ILE A 122 6.039 8.681 -3.755 1.00 0.00 C ATOM 1805 CG1 ILE A 122 6.449 10.145 -3.637 1.00 0.00 C ATOM 1806 CG2 ILE A 122 7.273 7.811 -3.931 1.00 0.00 C ATOM 1807 CD1 ILE A 122 7.340 10.589 -4.765 1.00 0.00 C ATOM 0 H ILE A 122 3.167 8.580 -4.043 1.00 0.00 H new ATOM 0 HA ILE A 122 5.468 8.915 -5.826 1.00 0.00 H new ATOM 0 HB ILE A 122 5.531 8.388 -2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.555 10.768 -3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 122 6.965 10.299 -2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 122 7.955 7.974 -3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.978 6.762 -3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.772 8.072 -4.864 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.601 11.639 -4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 122 8.248 9.987 -4.770 1.00 0.00 H new ATOM 0 HD13 ILE A 122 6.817 10.464 -5.713 1.00 0.00 H new ATOM 1819 N ILE A 123 5.680 6.377 -5.939 1.00 0.00 N ATOM 1820 CA ILE A 123 5.626 4.937 -6.172 1.00 0.00 C ATOM 1821 C ILE A 123 6.960 4.285 -5.830 1.00 0.00 C ATOM 1822 O ILE A 123 8.024 4.882 -6.016 1.00 0.00 O ATOM 1823 CB ILE A 123 5.228 4.608 -7.633 1.00 0.00 C ATOM 1824 CG1 ILE A 123 3.802 5.077 -7.881 1.00 0.00 C ATOM 1825 CG2 ILE A 123 5.353 3.115 -7.921 1.00 0.00 C ATOM 1826 CD1 ILE A 123 3.328 4.906 -9.306 1.00 0.00 C ATOM 0 H ILE A 123 6.421 6.858 -6.449 1.00 0.00 H new ATOM 0 HA ILE A 123 4.856 4.530 -5.516 1.00 0.00 H new ATOM 0 HB ILE A 123 5.909 5.129 -8.306 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.132 4.528 -7.220 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.726 6.130 -7.609 1.00 0.00 H new ATOM 0 HG21 ILE A 123 5.066 2.918 -8.954 1.00 0.00 H new ATOM 0 HG22 ILE A 123 6.384 2.799 -7.764 1.00 0.00 H new ATOM 0 HG23 ILE A 123 4.698 2.559 -7.251 1.00 0.00 H new ATOM 0 HD11 ILE A 123 2.303 5.265 -9.394 1.00 0.00 H new ATOM 0 HD12 ILE A 123 3.971 5.478 -9.975 1.00 0.00 H new ATOM 0 HD13 ILE A 123 3.368 3.851 -9.579 1.00 0.00 H new ATOM 1838 N HIS A 124 6.896 3.081 -5.276 1.00 0.00 N ATOM 1839 CA HIS A 124 8.094 2.287 -5.029 1.00 0.00 C ATOM 1840 C HIS A 124 7.848 0.851 -5.457 1.00 0.00 C ATOM 1841 O HIS A 124 7.027 0.161 -4.861 1.00 0.00 O ATOM 1842 CB HIS A 124 8.513 2.268 -3.553 1.00 0.00 C ATOM 1843 CG HIS A 124 8.264 3.526 -2.776 1.00 0.00 C ATOM 1844 ND1 HIS A 124 7.452 3.559 -1.665 1.00 0.00 N ATOM 1845 CD2 HIS A 124 8.755 4.780 -2.911 1.00 0.00 C ATOM 1846 CE1 HIS A 124 7.455 4.770 -1.153 1.00 0.00 C ATOM 1847 NE2 HIS A 124 8.236 5.533 -1.887 1.00 0.00 N ATOM 0 H HIS A 124 6.026 2.632 -4.989 1.00 0.00 H new ATOM 0 HA HIS A 124 8.894 2.753 -5.604 1.00 0.00 H new ATOM 0 HB2 HIS A 124 7.988 1.451 -3.059 1.00 0.00 H new ATOM 0 HB3 HIS A 124 9.578 2.040 -3.502 1.00 0.00 H new ATOM 0 HD1 HIS A 124 6.928 2.766 -1.296 1.00 0.00 H new ATOM 0 HD2 HIS A 124 9.430 5.124 -3.681 1.00 0.00 H new ATOM 0 HE1 HIS A 124 6.908 5.085 -0.277 1.00 0.00 H new ATOM 0 HE2 HIS A 124 8.425 6.522 -1.722 1.00 0.00 H new ATOM 1856 N VAL A 125 8.555 0.411 -6.475 1.00 0.00 N ATOM 1857 CA VAL A 125 8.443 -0.957 -6.961 1.00 0.00 C ATOM 1858 C VAL A 125 9.228 -1.893 -6.051 1.00 0.00 C ATOM 1859 O VAL A 125 10.394 -1.641 -5.772 1.00 0.00 O ATOM 1860 CB VAL A 125 8.976 -1.072 -8.406 1.00 0.00 C ATOM 1861 CG1 VAL A 125 8.838 -2.492 -8.931 1.00 0.00 C ATOM 1862 CG2 VAL A 125 8.258 -0.088 -9.314 1.00 0.00 C ATOM 0 H VAL A 125 9.222 0.985 -6.991 1.00 0.00 H new ATOM 0 HA VAL A 125 7.390 -1.239 -6.956 1.00 0.00 H new ATOM 0 HB VAL A 125 10.037 -0.824 -8.397 1.00 0.00 H new ATOM 0 HG11 VAL A 125 9.221 -2.542 -9.950 1.00 0.00 H new ATOM 0 HG12 VAL A 125 9.406 -3.172 -8.296 1.00 0.00 H new ATOM 0 HG13 VAL A 125 7.787 -2.782 -8.924 1.00 0.00 H new ATOM 0 HG21 VAL A 125 8.644 -0.181 -10.329 1.00 0.00 H new ATOM 0 HG22 VAL A 125 7.190 -0.303 -9.311 1.00 0.00 H new ATOM 0 HG23 VAL A 125 8.424 0.927 -8.954 1.00 0.00 H new ATOM 1872 N ILE A 126 8.597 -2.965 -5.590 1.00 0.00 N ATOM 1873 CA ILE A 126 9.229 -3.865 -4.643 1.00 0.00 C ATOM 1874 C ILE A 126 9.146 -5.296 -5.105 1.00 0.00 C ATOM 1875 O ILE A 126 8.382 -5.652 -6.006 1.00 0.00 O ATOM 1876 CB ILE A 126 8.622 -3.787 -3.228 1.00 0.00 C ATOM 1877 CG1 ILE A 126 7.182 -4.321 -3.218 1.00 0.00 C ATOM 1878 CG2 ILE A 126 8.688 -2.368 -2.693 1.00 0.00 C ATOM 1879 CD1 ILE A 126 6.112 -3.256 -3.214 1.00 0.00 C ATOM 0 H ILE A 126 7.649 -3.230 -5.858 1.00 0.00 H new ATOM 0 HA ILE A 126 10.267 -3.537 -4.594 1.00 0.00 H new ATOM 0 HB ILE A 126 9.213 -4.421 -2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 126 7.039 -4.957 -4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 126 7.050 -4.953 -2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 126 8.254 -2.335 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 126 9.728 -2.044 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 126 8.129 -1.704 -3.353 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.129 -3.728 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 126 6.222 -2.633 -2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 126 6.211 -2.637 -4.106 1.00 0.00 H new ATOM 1891 N ASP A 127 9.940 -6.106 -4.451 1.00 0.00 N ATOM 1892 CA ASP A 127 10.135 -7.480 -4.829 1.00 0.00 C ATOM 1893 C ASP A 127 9.253 -8.411 -3.996 1.00 0.00 C ATOM 1894 O ASP A 127 9.358 -9.628 -4.068 1.00 0.00 O ATOM 1895 CB ASP A 127 11.625 -7.792 -4.695 1.00 0.00 C ATOM 1896 CG ASP A 127 11.984 -9.231 -5.011 1.00 0.00 C ATOM 1897 OD1 ASP A 127 11.937 -9.614 -6.195 1.00 0.00 O ATOM 1898 OD2 ASP A 127 12.320 -9.982 -4.069 1.00 0.00 O1- ATOM 0 H ASP A 127 10.476 -5.824 -3.630 1.00 0.00 H new ATOM 0 HA ASP A 127 9.832 -7.644 -5.863 1.00 0.00 H new ATOM 0 HB2 ASP A 127 12.185 -7.134 -5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 127 11.944 -7.564 -3.678 1.00 0.00 H new ATOM 1903 N THR A 128 8.332 -7.818 -3.257 1.00 0.00 N ATOM 1904 CA THR A 128 7.449 -8.562 -2.366 1.00 0.00 C ATOM 1905 C THR A 128 6.261 -7.684 -1.958 1.00 0.00 C ATOM 1906 O THR A 128 6.446 -6.590 -1.435 1.00 0.00 O ATOM 1907 CB THR A 128 8.210 -9.045 -1.111 1.00 0.00 C ATOM 1908 OG1 THR A 128 9.127 -10.094 -1.455 1.00 0.00 O ATOM 1909 CG2 THR A 128 7.253 -9.524 -0.033 1.00 0.00 C ATOM 0 H THR A 128 8.173 -6.811 -3.255 1.00 0.00 H new ATOM 0 HA THR A 128 7.081 -9.439 -2.898 1.00 0.00 H new ATOM 0 HB THR A 128 8.769 -8.197 -0.715 1.00 0.00 H new ATOM 0 HG1 THR A 128 9.077 -10.270 -2.418 1.00 0.00 H new ATOM 0 HG21 THR A 128 7.821 -9.857 0.836 1.00 0.00 H new ATOM 0 HG22 THR A 128 6.592 -8.707 0.256 1.00 0.00 H new ATOM 0 HG23 THR A 128 6.658 -10.353 -0.417 1.00 0.00 H new ATOM 1917 N VAL A 129 5.049 -8.157 -2.218 1.00 0.00 N ATOM 1918 CA VAL A 129 3.853 -7.390 -1.937 1.00 0.00 C ATOM 1919 C VAL A 129 3.675 -7.188 -0.429 1.00 0.00 C ATOM 1920 O VAL A 129 3.223 -6.099 -0.012 1.00 0.00 O ATOM 1921 CB VAL A 129 2.613 -8.088 -2.530 1.00 0.00 C ATOM 1922 CG1 VAL A 129 1.396 -7.203 -2.419 1.00 0.00 C ATOM 1923 CG2 VAL A 129 2.854 -8.435 -3.983 1.00 0.00 C ATOM 0 H VAL A 129 4.873 -9.075 -2.626 1.00 0.00 H new ATOM 0 HA VAL A 129 3.962 -6.411 -2.404 1.00 0.00 H new ATOM 0 HB VAL A 129 2.436 -9.002 -1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.533 -7.716 -2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 129 1.204 -6.978 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 129 1.570 -6.275 -2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.971 -8.928 -4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.054 -7.524 -4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 129 3.711 -9.104 -4.060 1.00 0.00 H new