USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 672 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 17 HIS : no HD1:sc= -1.82 X(o=-2.8,f=-3.2) USER MOD Set 1.2: A 81 GLN : amide:sc= -1.01 K(o=-2.8,f=-5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0436 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -43:sc= 0.0531 USER MOD Single : A 16 ASN : amide:sc= -5.92! C(o=-5.9!,f=-19!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -110:sc= -0.413 (180deg=-1.34) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 157:sc= -0.0973 (180deg=-0.431) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0627 X(o=-0.063,f=-0.51) USER MOD Single : A 67 THR OG1 : rot -12:sc= 1.01 USER MOD Single : A 71 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.41) USER MOD Single : A 72 THR OG1 : rot 94:sc= 0.819 USER MOD Single : A 73 HIS :FLIP no HD1:sc= -1.56 F(o=-3.1!,f=-1.6) USER MOD Single : A 75 MET CE :methyl 153:sc= -4.1 (180deg=-4.71!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 161:sc= -0.0276 (180deg=-0.273) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.807 9.204 22.958 1.00 0.00 N ATOM 2 CA GLY A 1 21.486 9.785 22.803 1.00 0.00 C ATOM 3 C GLY A 1 21.037 9.825 21.356 1.00 0.00 C ATOM 4 O GLY A 1 20.911 10.898 20.766 1.00 0.00 O ATOM 0 H1 GLY A 1 23.068 9.199 23.965 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.802 8.229 22.597 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.499 9.767 22.423 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.768 9.209 23.387 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.488 10.797 23.208 1.00 0.00 H new ATOM 8 N SER A 2 20.796 8.650 20.781 1.00 0.00 N ATOM 9 CA SER A 2 20.363 8.554 19.392 1.00 0.00 C ATOM 10 C SER A 2 19.326 9.626 19.069 1.00 0.00 C ATOM 11 O SER A 2 18.700 10.189 19.968 1.00 0.00 O ATOM 12 CB SER A 2 19.783 7.166 19.111 1.00 0.00 C ATOM 13 OG SER A 2 18.631 6.926 19.900 1.00 0.00 O ATOM 0 H SER A 2 20.893 7.752 21.256 1.00 0.00 H new ATOM 0 HA SER A 2 21.233 8.712 18.755 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.528 7.082 18.055 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.535 6.405 19.319 1.00 0.00 H new ATOM 0 HG SER A 2 18.278 6.034 19.701 1.00 0.00 H new ATOM 19 N SER A 3 19.149 9.902 17.782 1.00 0.00 N ATOM 20 CA SER A 3 18.191 10.908 17.340 1.00 0.00 C ATOM 21 C SER A 3 17.032 10.262 16.589 1.00 0.00 C ATOM 22 O SER A 3 15.869 10.599 16.808 1.00 0.00 O ATOM 23 CB SER A 3 18.881 11.942 16.447 1.00 0.00 C ATOM 24 OG SER A 3 19.367 11.344 15.258 1.00 0.00 O ATOM 0 H SER A 3 19.657 9.443 17.026 1.00 0.00 H new ATOM 0 HA SER A 3 17.794 11.409 18.223 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.179 12.738 16.197 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.706 12.403 16.990 1.00 0.00 H new ATOM 0 HG SER A 3 19.802 12.025 14.703 1.00 0.00 H new ATOM 30 N GLY A 4 17.358 9.329 15.699 1.00 0.00 N ATOM 31 CA GLY A 4 16.334 8.650 14.927 1.00 0.00 C ATOM 32 C GLY A 4 16.107 9.290 13.572 1.00 0.00 C ATOM 33 O GLY A 4 15.471 10.340 13.474 1.00 0.00 O ATOM 0 H GLY A 4 18.313 9.032 15.499 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.619 7.607 14.789 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.399 8.653 15.488 1.00 0.00 H new ATOM 37 N SER A 5 16.631 8.660 12.526 1.00 0.00 N ATOM 38 CA SER A 5 16.487 9.179 11.171 1.00 0.00 C ATOM 39 C SER A 5 15.399 8.424 10.413 1.00 0.00 C ATOM 40 O SER A 5 15.646 7.361 9.843 1.00 0.00 O ATOM 41 CB SER A 5 17.815 9.073 10.419 1.00 0.00 C ATOM 42 OG SER A 5 18.819 9.853 11.044 1.00 0.00 O ATOM 0 H SER A 5 17.159 7.790 12.591 1.00 0.00 H new ATOM 0 HA SER A 5 16.198 10.228 11.238 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.132 8.031 10.379 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.681 9.405 9.389 1.00 0.00 H new ATOM 0 HG SER A 5 19.658 9.767 10.545 1.00 0.00 H new ATOM 48 N SER A 6 14.192 8.982 10.411 1.00 0.00 N ATOM 49 CA SER A 6 13.064 8.361 9.726 1.00 0.00 C ATOM 50 C SER A 6 13.448 7.950 8.309 1.00 0.00 C ATOM 51 O SER A 6 13.361 6.777 7.946 1.00 0.00 O ATOM 52 CB SER A 6 11.874 9.322 9.686 1.00 0.00 C ATOM 53 OG SER A 6 10.651 8.615 9.571 1.00 0.00 O ATOM 0 H SER A 6 13.970 9.862 10.876 1.00 0.00 H new ATOM 0 HA SER A 6 12.782 7.466 10.280 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.863 9.930 10.591 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.983 10.006 8.844 1.00 0.00 H new ATOM 0 HG SER A 6 9.906 9.251 9.549 1.00 0.00 H new ATOM 59 N GLY A 7 13.874 8.924 7.511 1.00 0.00 N ATOM 60 CA GLY A 7 14.265 8.644 6.142 1.00 0.00 C ATOM 61 C GLY A 7 13.270 9.182 5.133 1.00 0.00 C ATOM 62 O GLY A 7 12.148 9.555 5.474 1.00 0.00 O ATOM 0 H GLY A 7 13.955 9.902 7.788 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.245 9.082 5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.366 7.567 6.009 1.00 0.00 H new ATOM 66 N PRO A 8 13.682 9.230 3.858 1.00 0.00 N ATOM 67 CA PRO A 8 12.834 9.726 2.770 1.00 0.00 C ATOM 68 C PRO A 8 11.674 8.785 2.463 1.00 0.00 C ATOM 69 O PRO A 8 11.709 7.607 2.818 1.00 0.00 O ATOM 70 CB PRO A 8 13.792 9.801 1.579 1.00 0.00 C ATOM 71 CG PRO A 8 14.853 8.800 1.883 1.00 0.00 C ATOM 72 CD PRO A 8 15.007 8.802 3.378 1.00 0.00 C ATOM 0 HA PRO A 8 12.367 10.679 3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.282 9.566 0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.211 10.801 1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.572 7.811 1.521 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.791 9.064 1.394 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.271 7.814 3.756 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.791 9.487 3.700 1.00 0.00 H new ATOM 80 N ALA A 9 10.650 9.311 1.801 1.00 0.00 N ATOM 81 CA ALA A 9 9.481 8.517 1.444 1.00 0.00 C ATOM 82 C ALA A 9 9.623 7.930 0.044 1.00 0.00 C ATOM 83 O ALA A 9 10.294 8.503 -0.815 1.00 0.00 O ATOM 84 CB ALA A 9 8.219 9.362 1.539 1.00 0.00 C ATOM 0 H ALA A 9 10.606 10.285 1.501 1.00 0.00 H new ATOM 0 HA ALA A 9 9.405 7.690 2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.354 8.756 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.102 9.728 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.296 10.208 0.856 1.00 0.00 H new ATOM 90 N ARG A 10 8.988 6.785 -0.180 1.00 0.00 N ATOM 91 CA ARG A 10 9.045 6.119 -1.476 1.00 0.00 C ATOM 92 C ARG A 10 7.674 6.116 -2.147 1.00 0.00 C ATOM 93 O ARG A 10 6.636 6.027 -1.491 1.00 0.00 O ATOM 94 CB ARG A 10 9.550 4.684 -1.315 1.00 0.00 C ATOM 95 CG ARG A 10 11.062 4.579 -1.209 1.00 0.00 C ATOM 96 CD ARG A 10 11.718 4.583 -2.581 1.00 0.00 C ATOM 97 NE ARG A 10 12.970 3.830 -2.591 1.00 0.00 N ATOM 98 CZ ARG A 10 14.100 4.276 -2.053 1.00 0.00 C ATOM 99 NH1 ARG A 10 14.134 5.462 -1.463 1.00 0.00 N ATOM 100 NH2 ARG A 10 15.198 3.533 -2.103 1.00 0.00 N ATOM 0 H ARG A 10 8.427 6.298 0.520 1.00 0.00 H new ATOM 0 HA ARG A 10 9.739 6.671 -2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.101 4.248 -0.423 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.212 4.091 -2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.445 5.411 -0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.328 3.664 -0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.032 4.155 -3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.911 5.611 -2.888 1.00 0.00 H new ATOM 0 HE ARG A 10 12.977 2.912 -3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.291 6.035 -1.421 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.003 5.802 -1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.175 2.619 -2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.065 3.876 -1.690 1.00 0.00 H new ATOM 114 N PRO A 11 7.670 6.216 -3.484 1.00 0.00 N ATOM 115 CA PRO A 11 6.434 6.227 -4.273 1.00 0.00 C ATOM 116 C PRO A 11 5.735 4.871 -4.273 1.00 0.00 C ATOM 117 O PRO A 11 6.373 3.832 -4.448 1.00 0.00 O ATOM 118 CB PRO A 11 6.915 6.581 -5.681 1.00 0.00 C ATOM 119 CG PRO A 11 8.335 6.131 -5.721 1.00 0.00 C ATOM 120 CD PRO A 11 8.869 6.326 -4.330 1.00 0.00 C ATOM 0 HA PRO A 11 5.700 6.925 -3.871 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.319 6.077 -6.441 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.834 7.651 -5.870 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.405 5.086 -6.023 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.908 6.711 -6.444 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.611 5.569 -4.075 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.352 7.297 -4.218 1.00 0.00 H new ATOM 128 N PHE A 12 4.421 4.888 -4.077 1.00 0.00 N ATOM 129 CA PHE A 12 3.636 3.660 -4.055 1.00 0.00 C ATOM 130 C PHE A 12 2.233 3.901 -4.606 1.00 0.00 C ATOM 131 O PHE A 12 1.626 4.942 -4.355 1.00 0.00 O ATOM 132 CB PHE A 12 3.547 3.111 -2.629 1.00 0.00 C ATOM 133 CG PHE A 12 4.888 2.844 -2.007 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.743 1.899 -2.551 1.00 0.00 C ATOM 135 CD2 PHE A 12 5.293 3.536 -0.877 1.00 0.00 C ATOM 136 CE1 PHE A 12 6.978 1.651 -1.981 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.526 3.293 -0.303 1.00 0.00 C ATOM 138 CZ PHE A 12 7.369 2.348 -0.855 1.00 0.00 C ATOM 0 H PHE A 12 3.878 5.739 -3.931 1.00 0.00 H new ATOM 0 HA PHE A 12 4.137 2.928 -4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.002 3.821 -2.008 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.969 2.187 -2.639 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.441 1.350 -3.431 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.637 4.274 -0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.636 0.913 -2.416 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.830 3.841 0.576 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.332 2.155 -0.407 1.00 0.00 H new ATOM 148 N ARG A 13 1.725 2.931 -5.360 1.00 0.00 N ATOM 149 CA ARG A 13 0.395 3.038 -5.949 1.00 0.00 C ATOM 150 C ARG A 13 -0.633 2.282 -5.111 1.00 0.00 C ATOM 151 O ARG A 13 -0.316 1.269 -4.487 1.00 0.00 O ATOM 152 CB ARG A 13 0.403 2.494 -7.378 1.00 0.00 C ATOM 153 CG ARG A 13 0.810 3.524 -8.419 1.00 0.00 C ATOM 154 CD ARG A 13 -0.382 4.339 -8.894 1.00 0.00 C ATOM 155 NE ARG A 13 -0.156 4.924 -10.213 1.00 0.00 N ATOM 156 CZ ARG A 13 0.670 5.941 -10.433 1.00 0.00 C ATOM 157 NH1 ARG A 13 1.344 6.482 -9.428 1.00 0.00 N ATOM 158 NH2 ARG A 13 0.823 6.418 -11.663 1.00 0.00 N ATOM 0 H ARG A 13 2.214 2.063 -5.577 1.00 0.00 H new ATOM 0 HA ARG A 13 0.117 4.092 -5.970 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.086 1.646 -7.431 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.591 2.118 -7.620 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.563 4.190 -7.998 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.270 3.021 -9.270 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.266 3.702 -8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.587 5.133 -8.176 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.659 4.531 -11.008 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.229 6.118 -8.482 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.977 7.263 -9.600 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.306 6.004 -12.439 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.457 7.199 -11.832 1.00 0.00 H new ATOM 172 N VAL A 14 -1.864 2.782 -5.101 1.00 0.00 N ATOM 173 CA VAL A 14 -2.938 2.154 -4.341 1.00 0.00 C ATOM 174 C VAL A 14 -4.200 2.014 -5.186 1.00 0.00 C ATOM 175 O VAL A 14 -4.573 2.931 -5.919 1.00 0.00 O ATOM 176 CB VAL A 14 -3.271 2.959 -3.071 1.00 0.00 C ATOM 177 CG1 VAL A 14 -4.269 2.203 -2.206 1.00 0.00 C ATOM 178 CG2 VAL A 14 -2.003 3.269 -2.289 1.00 0.00 C ATOM 0 H VAL A 14 -2.143 3.620 -5.611 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.585 1.164 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.727 3.903 -3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.492 2.787 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.187 2.037 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.844 1.243 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.257 3.838 -1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.517 2.337 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.326 3.854 -2.911 1.00 0.00 H new ATOM 188 N SER A 15 -4.852 0.862 -5.078 1.00 0.00 N ATOM 189 CA SER A 15 -6.072 0.600 -5.835 1.00 0.00 C ATOM 190 C SER A 15 -7.168 0.052 -4.926 1.00 0.00 C ATOM 191 O SER A 15 -6.896 -0.702 -3.993 1.00 0.00 O ATOM 192 CB SER A 15 -5.792 -0.389 -6.967 1.00 0.00 C ATOM 193 OG SER A 15 -5.317 0.280 -8.123 1.00 0.00 O ATOM 0 H SER A 15 -4.557 0.095 -4.474 1.00 0.00 H new ATOM 0 HA SER A 15 -6.415 1.543 -6.262 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.056 -1.123 -6.639 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.703 -0.937 -7.209 1.00 0.00 H new ATOM 0 HG SER A 15 -5.846 1.092 -8.272 1.00 0.00 H new ATOM 199 N ASN A 16 -8.408 0.440 -5.207 1.00 0.00 N ATOM 200 CA ASN A 16 -9.547 -0.012 -4.415 1.00 0.00 C ATOM 201 C ASN A 16 -9.851 -1.481 -4.688 1.00 0.00 C ATOM 202 O ASN A 16 -9.188 -2.124 -5.502 1.00 0.00 O ATOM 203 CB ASN A 16 -10.779 0.841 -4.723 1.00 0.00 C ATOM 204 CG ASN A 16 -11.341 0.567 -6.104 1.00 0.00 C ATOM 205 OD1 ASN A 16 -11.053 -0.465 -6.711 1.00 0.00 O ATOM 206 ND2 ASN A 16 -12.151 1.492 -6.608 1.00 0.00 N ATOM 0 H ASN A 16 -8.650 1.065 -5.976 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.291 0.098 -3.361 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.548 0.647 -3.976 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.516 1.896 -4.643 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.561 1.362 -7.533 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.363 2.332 -6.070 1.00 0.00 H new ATOM 213 N HIS A 17 -10.860 -2.009 -4.002 1.00 0.00 N ATOM 214 CA HIS A 17 -11.255 -3.403 -4.171 1.00 0.00 C ATOM 215 C HIS A 17 -11.533 -3.715 -5.638 1.00 0.00 C ATOM 216 O HIS A 17 -11.072 -4.726 -6.167 1.00 0.00 O ATOM 217 CB HIS A 17 -12.492 -3.710 -3.328 1.00 0.00 C ATOM 218 CG HIS A 17 -13.699 -2.918 -3.724 1.00 0.00 C ATOM 219 ND1 HIS A 17 -14.623 -3.361 -4.648 1.00 0.00 N ATOM 220 CD2 HIS A 17 -14.134 -1.702 -3.314 1.00 0.00 C ATOM 221 CE1 HIS A 17 -15.571 -2.453 -4.790 1.00 0.00 C ATOM 222 NE2 HIS A 17 -15.297 -1.437 -3.991 1.00 0.00 N ATOM 0 H HIS A 17 -11.419 -1.492 -3.323 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.431 -4.032 -3.835 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.722 -4.772 -3.409 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.266 -3.512 -2.280 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.654 -1.061 -2.589 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.425 -2.528 -5.447 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.860 -0.592 -3.893 1.00 0.00 H new ATOM 231 N ASP A 18 -12.292 -2.840 -6.290 1.00 0.00 N ATOM 232 CA ASP A 18 -12.632 -3.021 -7.697 1.00 0.00 C ATOM 233 C ASP A 18 -11.511 -2.509 -8.597 1.00 0.00 C ATOM 234 O ASP A 18 -11.728 -2.230 -9.776 1.00 0.00 O ATOM 235 CB ASP A 18 -13.938 -2.296 -8.024 1.00 0.00 C ATOM 236 CG ASP A 18 -14.606 -2.843 -9.271 1.00 0.00 C ATOM 237 OD1 ASP A 18 -15.405 -3.796 -9.147 1.00 0.00 O ATOM 238 OD2 ASP A 18 -14.330 -2.319 -10.370 1.00 0.00 O ATOM 0 H ASP A 18 -12.683 -1.999 -5.867 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.762 -4.088 -7.881 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.622 -2.386 -7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.737 -1.233 -8.159 1.00 0.00 H new ATOM 243 N ARG A 19 -10.315 -2.388 -8.032 1.00 0.00 N ATOM 244 CA ARG A 19 -9.161 -1.908 -8.783 1.00 0.00 C ATOM 245 C ARG A 19 -9.581 -0.866 -9.817 1.00 0.00 C ATOM 246 O ARG A 19 -9.185 -0.938 -10.980 1.00 0.00 O ATOM 247 CB ARG A 19 -8.455 -3.075 -9.477 1.00 0.00 C ATOM 248 CG ARG A 19 -7.945 -4.136 -8.516 1.00 0.00 C ATOM 249 CD ARG A 19 -7.308 -5.300 -9.259 1.00 0.00 C ATOM 250 NE ARG A 19 -8.240 -5.932 -10.190 1.00 0.00 N ATOM 251 CZ ARG A 19 -8.053 -7.140 -10.709 1.00 0.00 C ATOM 252 NH1 ARG A 19 -6.974 -7.843 -10.392 1.00 0.00 N ATOM 253 NH2 ARG A 19 -8.947 -7.647 -11.549 1.00 0.00 N ATOM 0 H ARG A 19 -10.119 -2.615 -7.057 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.471 -1.441 -8.081 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.144 -3.538 -10.183 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.617 -2.689 -10.057 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.216 -3.694 -7.837 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.770 -4.501 -7.904 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.434 -4.946 -9.806 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.956 -6.040 -8.540 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.080 -5.418 -10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.284 -7.456 -9.748 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.834 -8.771 -10.793 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.778 -7.109 -11.796 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.803 -8.575 -11.948 1.00 0.00 H new ATOM 267 N SER A 20 -10.384 0.100 -9.383 1.00 0.00 N ATOM 268 CA SER A 20 -10.861 1.153 -10.271 1.00 0.00 C ATOM 269 C SER A 20 -10.221 2.493 -9.918 1.00 0.00 C ATOM 270 O SER A 20 -9.943 3.311 -10.794 1.00 0.00 O ATOM 271 CB SER A 20 -12.384 1.266 -10.191 1.00 0.00 C ATOM 272 OG SER A 20 -12.917 1.822 -11.380 1.00 0.00 O ATOM 0 H SER A 20 -10.718 0.175 -8.422 1.00 0.00 H new ATOM 0 HA SER A 20 -10.576 0.891 -11.290 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.817 0.280 -10.021 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.662 1.887 -9.339 1.00 0.00 H new ATOM 0 HG SER A 20 -13.892 1.882 -11.304 1.00 0.00 H new ATOM 278 N SER A 21 -9.991 2.709 -8.627 1.00 0.00 N ATOM 279 CA SER A 21 -9.387 3.950 -8.155 1.00 0.00 C ATOM 280 C SER A 21 -7.866 3.833 -8.115 1.00 0.00 C ATOM 281 O SER A 21 -7.322 2.766 -7.834 1.00 0.00 O ATOM 282 CB SER A 21 -9.920 4.305 -6.766 1.00 0.00 C ATOM 283 OG SER A 21 -11.152 4.999 -6.853 1.00 0.00 O ATOM 0 H SER A 21 -10.214 2.041 -7.889 1.00 0.00 H new ATOM 0 HA SER A 21 -9.654 4.744 -8.852 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.053 3.395 -6.181 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.190 4.919 -6.239 1.00 0.00 H new ATOM 0 HG SER A 21 -11.472 5.212 -5.952 1.00 0.00 H new ATOM 289 N ARG A 22 -7.187 4.940 -8.397 1.00 0.00 N ATOM 290 CA ARG A 22 -5.729 4.963 -8.395 1.00 0.00 C ATOM 291 C ARG A 22 -5.205 6.120 -7.549 1.00 0.00 C ATOM 292 O ARG A 22 -5.403 7.288 -7.887 1.00 0.00 O ATOM 293 CB ARG A 22 -5.197 5.081 -9.825 1.00 0.00 C ATOM 294 CG ARG A 22 -5.648 3.952 -10.737 1.00 0.00 C ATOM 295 CD ARG A 22 -5.693 4.394 -12.191 1.00 0.00 C ATOM 296 NE ARG A 22 -4.390 4.276 -12.840 1.00 0.00 N ATOM 297 CZ ARG A 22 -3.942 3.152 -13.387 1.00 0.00 C ATOM 298 NH1 ARG A 22 -4.687 2.056 -13.364 1.00 0.00 N ATOM 299 NH2 ARG A 22 -2.745 3.122 -13.959 1.00 0.00 N ATOM 0 H ARG A 22 -7.623 5.832 -8.630 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.377 4.028 -7.960 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.524 6.031 -10.248 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.108 5.102 -9.798 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.968 3.106 -10.634 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.635 3.607 -10.430 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.423 3.790 -12.731 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.032 5.428 -12.245 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.792 5.101 -12.875 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.608 2.074 -12.925 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.340 1.194 -13.785 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.168 3.963 -13.979 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.402 2.258 -14.379 1.00 0.00 H new ATOM 313 N ARG A 23 -4.536 5.788 -6.450 1.00 0.00 N ATOM 314 CA ARG A 23 -3.986 6.799 -5.555 1.00 0.00 C ATOM 315 C ARG A 23 -2.534 6.482 -5.206 1.00 0.00 C ATOM 316 O ARG A 23 -2.231 5.413 -4.679 1.00 0.00 O ATOM 317 CB ARG A 23 -4.822 6.889 -4.278 1.00 0.00 C ATOM 318 CG ARG A 23 -4.860 8.283 -3.673 1.00 0.00 C ATOM 319 CD ARG A 23 -3.525 8.658 -3.051 1.00 0.00 C ATOM 320 NE ARG A 23 -2.648 9.334 -4.003 1.00 0.00 N ATOM 321 CZ ARG A 23 -2.928 10.511 -4.554 1.00 0.00 C ATOM 322 NH1 ARG A 23 -4.056 11.138 -4.247 1.00 0.00 N ATOM 323 NH2 ARG A 23 -2.081 11.062 -5.413 1.00 0.00 N ATOM 0 H ARG A 23 -4.362 4.826 -6.158 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.017 7.760 -6.068 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.841 6.569 -4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.421 6.193 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.120 9.008 -4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.642 8.330 -2.915 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.695 9.306 -2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.033 7.759 -2.680 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.772 8.878 -4.259 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.710 10.717 -3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.269 12.041 -4.671 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.213 10.583 -5.652 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.298 11.965 -5.835 1.00 0.00 H new ATOM 337 N GLY A 24 -1.641 7.421 -5.503 1.00 0.00 N ATOM 338 CA GLY A 24 -0.232 7.223 -5.214 1.00 0.00 C ATOM 339 C GLY A 24 0.208 7.948 -3.958 1.00 0.00 C ATOM 340 O GLY A 24 0.391 9.165 -3.966 1.00 0.00 O ATOM 0 H GLY A 24 -1.868 8.315 -5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.033 6.157 -5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.362 7.572 -6.059 1.00 0.00 H new ATOM 344 N VAL A 25 0.379 7.198 -2.874 1.00 0.00 N ATOM 345 CA VAL A 25 0.801 7.777 -1.603 1.00 0.00 C ATOM 346 C VAL A 25 2.300 7.600 -1.391 1.00 0.00 C ATOM 347 O VAL A 25 2.879 6.587 -1.782 1.00 0.00 O ATOM 348 CB VAL A 25 0.047 7.141 -0.419 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.335 7.901 0.867 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.447 7.099 -0.701 1.00 0.00 C ATOM 0 H VAL A 25 0.232 6.189 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 25 0.566 8.840 -1.645 1.00 0.00 H new ATOM 0 HB VAL A 25 0.399 6.117 -0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.206 7.438 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.405 7.874 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.013 8.936 0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.964 6.647 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.817 8.113 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.632 6.507 -1.597 1.00 0.00 H new ATOM 360 N MET A 26 2.924 8.594 -0.766 1.00 0.00 N ATOM 361 CA MET A 26 4.357 8.548 -0.499 1.00 0.00 C ATOM 362 C MET A 26 4.627 8.402 0.995 1.00 0.00 C ATOM 363 O MET A 26 4.449 9.347 1.763 1.00 0.00 O ATOM 364 CB MET A 26 5.037 9.811 -1.031 1.00 0.00 C ATOM 365 CG MET A 26 5.023 9.915 -2.548 1.00 0.00 C ATOM 366 SD MET A 26 6.429 10.843 -3.193 1.00 0.00 S ATOM 367 CE MET A 26 7.790 9.808 -2.659 1.00 0.00 C ATOM 0 H MET A 26 2.460 9.440 -0.435 1.00 0.00 H new ATOM 0 HA MET A 26 4.769 7.679 -1.011 1.00 0.00 H new ATOM 0 HB2 MET A 26 4.541 10.686 -0.610 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.070 9.832 -0.683 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.026 8.913 -2.977 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.098 10.396 -2.867 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.346 10.316 -1.871 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.401 8.864 -2.277 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.452 9.613 -3.503 1.00 0.00 H new ATOM 377 N ALA A 27 5.058 7.212 1.401 1.00 0.00 N ATOM 378 CA ALA A 27 5.354 6.944 2.802 1.00 0.00 C ATOM 379 C ALA A 27 6.731 6.308 2.960 1.00 0.00 C ATOM 380 O ALA A 27 7.177 5.547 2.100 1.00 0.00 O ATOM 381 CB ALA A 27 4.284 6.045 3.405 1.00 0.00 C ATOM 0 H ALA A 27 5.210 6.418 0.779 1.00 0.00 H new ATOM 0 HA ALA A 27 5.358 7.895 3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.518 5.853 4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.314 6.536 3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.253 5.101 2.861 1.00 0.00 H new ATOM 387 N SER A 28 7.401 6.624 4.064 1.00 0.00 N ATOM 388 CA SER A 28 8.730 6.087 4.331 1.00 0.00 C ATOM 389 C SER A 28 8.651 4.620 4.744 1.00 0.00 C ATOM 390 O SER A 28 9.451 3.796 4.302 1.00 0.00 O ATOM 391 CB SER A 28 9.420 6.900 5.430 1.00 0.00 C ATOM 392 OG SER A 28 10.714 6.392 5.704 1.00 0.00 O ATOM 0 H SER A 28 7.045 7.249 4.787 1.00 0.00 H new ATOM 0 HA SER A 28 9.314 6.158 3.413 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.493 7.943 5.123 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.817 6.876 6.338 1.00 0.00 H new ATOM 0 HG SER A 28 11.134 6.929 6.408 1.00 0.00 H new ATOM 398 N SER A 29 7.679 4.302 5.593 1.00 0.00 N ATOM 399 CA SER A 29 7.495 2.936 6.068 1.00 0.00 C ATOM 400 C SER A 29 6.112 2.411 5.693 1.00 0.00 C ATOM 401 O SER A 29 5.351 3.080 4.992 1.00 0.00 O ATOM 402 CB SER A 29 7.682 2.872 7.585 1.00 0.00 C ATOM 403 OG SER A 29 8.790 3.656 7.996 1.00 0.00 O ATOM 0 H SER A 29 7.007 4.972 5.966 1.00 0.00 H new ATOM 0 HA SER A 29 8.245 2.307 5.589 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.778 3.226 8.081 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.831 1.837 7.893 1.00 0.00 H new ATOM 0 HG SER A 29 8.887 3.600 8.970 1.00 0.00 H new ATOM 409 N LEU A 30 5.795 1.211 6.163 1.00 0.00 N ATOM 410 CA LEU A 30 4.504 0.594 5.878 1.00 0.00 C ATOM 411 C LEU A 30 3.400 1.228 6.718 1.00 0.00 C ATOM 412 O LEU A 30 2.453 1.804 6.182 1.00 0.00 O ATOM 413 CB LEU A 30 4.564 -0.911 6.147 1.00 0.00 C ATOM 414 CG LEU A 30 3.220 -1.638 6.201 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.825 -2.134 4.820 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.279 -2.794 7.188 1.00 0.00 C ATOM 0 H LEU A 30 6.414 0.645 6.743 1.00 0.00 H new ATOM 0 HA LEU A 30 4.275 0.760 4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.174 -1.374 5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.079 -1.070 7.095 1.00 0.00 H new ATOM 0 HG LEU A 30 2.461 -0.933 6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.866 -2.649 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.741 -1.287 4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.584 -2.823 4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.314 -3.300 7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.050 -3.499 6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.515 -2.413 8.181 1.00 0.00 H new ATOM 428 N GLN A 31 3.530 1.119 8.036 1.00 0.00 N ATOM 429 CA GLN A 31 2.544 1.684 8.950 1.00 0.00 C ATOM 430 C GLN A 31 2.116 3.076 8.496 1.00 0.00 C ATOM 431 O GLN A 31 0.928 3.398 8.488 1.00 0.00 O ATOM 432 CB GLN A 31 3.109 1.748 10.369 1.00 0.00 C ATOM 433 CG GLN A 31 2.170 2.400 11.369 1.00 0.00 C ATOM 434 CD GLN A 31 1.172 1.423 11.956 1.00 0.00 C ATOM 435 OE1 GLN A 31 1.485 0.684 12.892 1.00 0.00 O ATOM 436 NE2 GLN A 31 -0.038 1.412 11.410 1.00 0.00 N ATOM 0 H GLN A 31 4.308 0.645 8.495 1.00 0.00 H new ATOM 0 HA GLN A 31 1.668 1.035 8.946 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.339 0.737 10.705 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.049 2.300 10.352 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.755 2.844 12.175 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.633 3.213 10.880 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.254 2.041 10.637 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.751 0.775 11.764 1.00 0.00 H new ATOM 445 N GLU A 32 3.092 3.896 8.121 1.00 0.00 N ATOM 446 CA GLU A 32 2.815 5.255 7.668 1.00 0.00 C ATOM 447 C GLU A 32 1.925 5.245 6.429 1.00 0.00 C ATOM 448 O GLU A 32 0.975 6.022 6.327 1.00 0.00 O ATOM 449 CB GLU A 32 4.122 5.990 7.363 1.00 0.00 C ATOM 450 CG GLU A 32 3.918 7.386 6.799 1.00 0.00 C ATOM 451 CD GLU A 32 5.066 8.321 7.123 1.00 0.00 C ATOM 452 OE1 GLU A 32 6.188 7.823 7.354 1.00 0.00 O ATOM 453 OE2 GLU A 32 4.845 9.550 7.146 1.00 0.00 O ATOM 0 H GLU A 32 4.080 3.644 8.122 1.00 0.00 H new ATOM 0 HA GLU A 32 2.290 5.777 8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.712 6.059 8.277 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.703 5.402 6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.800 7.323 5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.992 7.802 7.196 1.00 0.00 H new ATOM 460 N LEU A 33 2.238 4.359 5.490 1.00 0.00 N ATOM 461 CA LEU A 33 1.466 4.246 4.257 1.00 0.00 C ATOM 462 C LEU A 33 0.009 3.906 4.556 1.00 0.00 C ATOM 463 O LEU A 33 -0.884 4.728 4.354 1.00 0.00 O ATOM 464 CB LEU A 33 2.075 3.178 3.346 1.00 0.00 C ATOM 465 CG LEU A 33 1.270 2.824 2.095 1.00 0.00 C ATOM 466 CD1 LEU A 33 1.272 3.986 1.114 1.00 0.00 C ATOM 467 CD2 LEU A 33 1.828 1.570 1.440 1.00 0.00 C ATOM 0 H LEU A 33 3.021 3.709 5.559 1.00 0.00 H new ATOM 0 HA LEU A 33 1.498 5.209 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.063 3.516 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.218 2.269 3.931 1.00 0.00 H new ATOM 0 HG LEU A 33 0.240 2.627 2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.695 3.717 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.826 4.861 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.297 4.214 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.243 1.333 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.867 1.739 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.775 0.738 2.142 1.00 0.00 H new ATOM 479 N ILE A 34 -0.221 2.689 5.038 1.00 0.00 N ATOM 480 CA ILE A 34 -1.569 2.242 5.367 1.00 0.00 C ATOM 481 C ILE A 34 -2.418 3.394 5.894 1.00 0.00 C ATOM 482 O ILE A 34 -3.357 3.838 5.234 1.00 0.00 O ATOM 483 CB ILE A 34 -1.548 1.114 6.415 1.00 0.00 C ATOM 484 CG1 ILE A 34 -0.857 -0.127 5.847 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.962 0.781 6.864 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.402 -1.105 6.907 1.00 0.00 C ATOM 0 H ILE A 34 0.508 1.996 5.209 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.009 1.862 4.445 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.984 1.455 7.283 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.541 -0.634 5.166 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.006 0.185 5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.930 -0.018 7.605 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.422 1.666 7.304 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.549 0.456 6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.079 -1.960 6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.307 -0.615 7.574 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.264 -1.447 7.481 1.00 0.00 H new ATOM 498 N SER A 35 -2.078 3.875 7.085 1.00 0.00 N ATOM 499 CA SER A 35 -2.810 4.976 7.703 1.00 0.00 C ATOM 500 C SER A 35 -3.147 6.049 6.672 1.00 0.00 C ATOM 501 O SER A 35 -4.296 6.475 6.555 1.00 0.00 O ATOM 502 CB SER A 35 -1.991 5.585 8.842 1.00 0.00 C ATOM 503 OG SER A 35 -2.650 6.709 9.398 1.00 0.00 O ATOM 0 H SER A 35 -1.301 3.520 7.642 1.00 0.00 H new ATOM 0 HA SER A 35 -3.741 4.580 8.107 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.826 4.836 9.617 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.010 5.881 8.471 1.00 0.00 H new ATOM 0 HG SER A 35 -2.107 7.080 10.125 1.00 0.00 H new ATOM 509 N LYS A 36 -2.137 6.483 5.927 1.00 0.00 N ATOM 510 CA LYS A 36 -2.323 7.506 4.905 1.00 0.00 C ATOM 511 C LYS A 36 -3.360 7.066 3.877 1.00 0.00 C ATOM 512 O LYS A 36 -4.344 7.765 3.634 1.00 0.00 O ATOM 513 CB LYS A 36 -0.995 7.807 4.208 1.00 0.00 C ATOM 514 CG LYS A 36 -0.001 8.551 5.085 1.00 0.00 C ATOM 515 CD LYS A 36 1.409 8.467 4.526 1.00 0.00 C ATOM 516 CE LYS A 36 1.701 9.616 3.574 1.00 0.00 C ATOM 517 NZ LYS A 36 1.759 10.924 4.285 1.00 0.00 N ATOM 0 H LYS A 36 -1.180 6.142 6.012 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.683 8.411 5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.546 6.870 3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.190 8.398 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.299 9.596 5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.019 8.134 6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.128 8.481 5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.539 7.519 4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.649 9.436 3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.930 9.655 2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.321 11.598 3.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.795 11.295 4.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.201 10.793 5.217 1.00 0.00 H new ATOM 531 N THR A 37 -3.134 5.901 3.278 1.00 0.00 N ATOM 532 CA THR A 37 -4.050 5.367 2.277 1.00 0.00 C ATOM 533 C THR A 37 -5.501 5.647 2.653 1.00 0.00 C ATOM 534 O THR A 37 -6.294 6.089 1.821 1.00 0.00 O ATOM 535 CB THR A 37 -3.862 3.849 2.096 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.484 3.552 1.843 1.00 0.00 O ATOM 537 CG2 THR A 37 -4.717 3.330 0.949 1.00 0.00 C ATOM 0 H THR A 37 -2.325 5.309 3.468 1.00 0.00 H new ATOM 0 HA THR A 37 -3.818 5.869 1.338 1.00 0.00 H new ATOM 0 HB THR A 37 -4.177 3.355 3.015 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.373 2.585 1.731 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.567 2.256 0.841 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.768 3.531 1.159 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.429 3.831 0.025 1.00 0.00 H new ATOM 545 N LEU A 38 -5.841 5.387 3.910 1.00 0.00 N ATOM 546 CA LEU A 38 -7.197 5.611 4.398 1.00 0.00 C ATOM 547 C LEU A 38 -7.601 7.073 4.232 1.00 0.00 C ATOM 548 O LEU A 38 -8.667 7.376 3.696 1.00 0.00 O ATOM 549 CB LEU A 38 -7.306 5.205 5.869 1.00 0.00 C ATOM 550 CG LEU A 38 -7.498 3.712 6.140 1.00 0.00 C ATOM 551 CD1 LEU A 38 -6.921 3.338 7.496 1.00 0.00 C ATOM 552 CD2 LEU A 38 -8.971 3.342 6.065 1.00 0.00 C ATOM 0 H LEU A 38 -5.196 5.021 4.610 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.875 4.995 3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.404 5.534 6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.142 5.745 6.313 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.964 3.151 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.067 2.272 7.672 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.855 3.566 7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.427 3.907 8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.089 2.276 6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.527 3.911 6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.354 3.573 5.071 1.00 0.00 H new ATOM 564 N ASP A 39 -6.741 7.974 4.692 1.00 0.00 N ATOM 565 CA ASP A 39 -7.006 9.405 4.591 1.00 0.00 C ATOM 566 C ASP A 39 -7.104 9.838 3.131 1.00 0.00 C ATOM 567 O ASP A 39 -8.049 10.523 2.740 1.00 0.00 O ATOM 568 CB ASP A 39 -5.908 10.200 5.299 1.00 0.00 C ATOM 569 CG ASP A 39 -6.295 11.648 5.527 1.00 0.00 C ATOM 570 OD1 ASP A 39 -7.488 11.907 5.794 1.00 0.00 O ATOM 571 OD2 ASP A 39 -5.408 12.521 5.440 1.00 0.00 O ATOM 0 H ASP A 39 -5.854 7.740 5.139 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.961 9.608 5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.685 9.732 6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.995 10.160 4.705 1.00 0.00 H new ATOM 576 N ALA A 40 -6.122 9.434 2.333 1.00 0.00 N ATOM 577 CA ALA A 40 -6.098 9.781 0.916 1.00 0.00 C ATOM 578 C ALA A 40 -7.355 9.285 0.210 1.00 0.00 C ATOM 579 O ALA A 40 -8.028 10.046 -0.489 1.00 0.00 O ATOM 580 CB ALA A 40 -4.856 9.203 0.253 1.00 0.00 C ATOM 0 H ALA A 40 -5.333 8.867 2.642 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.069 10.867 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.850 9.469 -0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.965 9.607 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.861 8.118 0.354 1.00 0.00 H new ATOM 586 N LEU A 41 -7.669 8.008 0.395 1.00 0.00 N ATOM 587 CA LEU A 41 -8.846 7.410 -0.225 1.00 0.00 C ATOM 588 C LEU A 41 -10.124 7.887 0.460 1.00 0.00 C ATOM 589 O LEU A 41 -11.228 7.651 -0.030 1.00 0.00 O ATOM 590 CB LEU A 41 -8.760 5.885 -0.166 1.00 0.00 C ATOM 591 CG LEU A 41 -7.989 5.211 -1.302 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.820 3.726 -1.024 1.00 0.00 C ATOM 593 CD2 LEU A 41 -8.699 5.429 -2.630 1.00 0.00 C ATOM 0 H LEU A 41 -7.124 7.366 0.970 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.876 7.725 -1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.295 5.604 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.774 5.484 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.999 5.663 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.269 3.263 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.269 3.590 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.801 3.258 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.137 4.943 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.701 5.003 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.768 6.497 -2.834 1.00 0.00 H new ATOM 605 N VAL A 42 -9.965 8.560 1.595 1.00 0.00 N ATOM 606 CA VAL A 42 -11.104 9.073 2.345 1.00 0.00 C ATOM 607 C VAL A 42 -12.134 7.977 2.597 1.00 0.00 C ATOM 608 O VAL A 42 -13.337 8.196 2.453 1.00 0.00 O ATOM 609 CB VAL A 42 -11.785 10.240 1.605 1.00 0.00 C ATOM 610 CG1 VAL A 42 -12.878 10.853 2.467 1.00 0.00 C ATOM 611 CG2 VAL A 42 -10.757 11.289 1.208 1.00 0.00 C ATOM 0 H VAL A 42 -9.058 8.762 2.015 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.718 9.433 3.299 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.246 9.853 0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.348 11.676 1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.627 10.096 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.443 11.228 3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.254 12.107 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.266 11.674 2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.013 10.839 0.551 1.00 0.00 H new ATOM 621 N ILE A 43 -11.653 6.797 2.977 1.00 0.00 N ATOM 622 CA ILE A 43 -12.532 5.667 3.252 1.00 0.00 C ATOM 623 C ILE A 43 -13.443 5.955 4.440 1.00 0.00 C ATOM 624 O ILE A 43 -12.996 6.459 5.469 1.00 0.00 O ATOM 625 CB ILE A 43 -11.728 4.385 3.534 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.799 4.069 2.360 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.668 3.219 3.802 1.00 0.00 C ATOM 628 CD1 ILE A 43 -9.801 2.972 2.658 1.00 0.00 C ATOM 0 H ILE A 43 -10.660 6.599 3.101 1.00 0.00 H new ATOM 0 HA ILE A 43 -13.140 5.516 2.360 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.117 4.546 4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.401 3.778 1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.259 4.974 2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.085 2.320 4.000 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.291 3.445 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.303 3.056 2.931 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.176 2.801 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.174 3.269 3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.333 2.054 2.909 1.00 0.00 H new ATOM 640 N ALA A 44 -14.723 5.631 4.289 1.00 0.00 N ATOM 641 CA ALA A 44 -15.697 5.851 5.351 1.00 0.00 C ATOM 642 C ALA A 44 -15.177 5.334 6.688 1.00 0.00 C ATOM 643 O ALA A 44 -14.976 6.103 7.628 1.00 0.00 O ATOM 644 CB ALA A 44 -17.019 5.183 5.001 1.00 0.00 C ATOM 0 H ALA A 44 -15.110 5.215 3.442 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.859 6.925 5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.737 5.355 5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.404 5.603 4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.864 4.111 4.877 1.00 0.00 H new ATOM 650 N THR A 45 -14.964 4.024 6.768 1.00 0.00 N ATOM 651 CA THR A 45 -14.470 3.403 7.990 1.00 0.00 C ATOM 652 C THR A 45 -12.948 3.314 7.986 1.00 0.00 C ATOM 653 O THR A 45 -12.321 3.293 6.928 1.00 0.00 O ATOM 654 CB THR A 45 -15.055 1.991 8.179 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.683 1.473 9.462 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.567 1.052 7.086 1.00 0.00 C ATOM 0 H THR A 45 -15.126 3.373 6.000 1.00 0.00 H new ATOM 0 HA THR A 45 -14.792 4.035 8.818 1.00 0.00 H new ATOM 0 HB THR A 45 -16.141 2.061 8.118 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.061 0.576 9.574 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.993 0.061 7.241 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.878 1.433 6.113 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.479 0.988 7.120 1.00 0.00 H new ATOM 664 N GLY A 46 -12.359 3.261 9.177 1.00 0.00 N ATOM 665 CA GLY A 46 -10.915 3.174 9.287 1.00 0.00 C ATOM 666 C GLY A 46 -10.411 1.748 9.191 1.00 0.00 C ATOM 667 O GLY A 46 -9.341 1.495 8.636 1.00 0.00 O ATOM 0 H GLY A 46 -12.856 3.277 10.067 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.457 3.772 8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.600 3.604 10.237 1.00 0.00 H new ATOM 671 N LEU A 47 -11.182 0.812 9.734 1.00 0.00 N ATOM 672 CA LEU A 47 -10.808 -0.597 9.709 1.00 0.00 C ATOM 673 C LEU A 47 -10.607 -1.082 8.276 1.00 0.00 C ATOM 674 O LEU A 47 -11.562 -1.193 7.507 1.00 0.00 O ATOM 675 CB LEU A 47 -11.879 -1.444 10.399 1.00 0.00 C ATOM 676 CG LEU A 47 -11.479 -2.876 10.753 1.00 0.00 C ATOM 677 CD1 LEU A 47 -10.968 -3.607 9.521 1.00 0.00 C ATOM 678 CD2 LEU A 47 -10.427 -2.880 11.852 1.00 0.00 C ATOM 0 H LEU A 47 -12.070 1.004 10.197 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.866 -0.705 10.247 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.181 -0.936 11.315 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.755 -1.483 9.752 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.362 -3.399 11.121 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.688 -4.625 9.792 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.752 -3.636 8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.098 -3.085 9.123 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.154 -3.908 12.091 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.543 -2.340 11.512 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.828 -2.395 12.742 1.00 0.00 H new ATOM 690 N VAL A 48 -9.358 -1.372 7.924 1.00 0.00 N ATOM 691 CA VAL A 48 -9.032 -1.848 6.585 1.00 0.00 C ATOM 692 C VAL A 48 -7.792 -2.736 6.604 1.00 0.00 C ATOM 693 O VAL A 48 -7.011 -2.710 7.556 1.00 0.00 O ATOM 694 CB VAL A 48 -8.796 -0.676 5.615 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.075 0.124 5.422 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.672 0.215 6.119 1.00 0.00 C ATOM 0 H VAL A 48 -8.556 -1.286 8.548 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.886 -2.430 6.239 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.501 -1.083 4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.888 0.948 4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.850 -0.523 5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.404 0.521 6.382 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.519 1.038 5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.936 0.614 7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.754 -0.368 6.200 1.00 0.00 H new ATOM 706 N THR A 49 -7.615 -3.519 5.546 1.00 0.00 N ATOM 707 CA THR A 49 -6.470 -4.415 5.439 1.00 0.00 C ATOM 708 C THR A 49 -5.700 -4.172 4.148 1.00 0.00 C ATOM 709 O THR A 49 -6.274 -4.183 3.058 1.00 0.00 O ATOM 710 CB THR A 49 -6.906 -5.891 5.494 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.553 -6.166 6.741 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.710 -6.816 5.324 1.00 0.00 C ATOM 0 H THR A 49 -8.251 -3.551 4.749 1.00 0.00 H new ATOM 0 HA THR A 49 -5.822 -4.203 6.289 1.00 0.00 H new ATOM 0 HB THR A 49 -7.604 -6.070 4.676 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.828 -7.106 6.766 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.043 -7.853 5.366 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.237 -6.626 4.361 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.992 -6.633 6.123 1.00 0.00 H new ATOM 720 N LEU A 50 -4.396 -3.954 4.275 1.00 0.00 N ATOM 721 CA LEU A 50 -3.544 -3.708 3.117 1.00 0.00 C ATOM 722 C LEU A 50 -2.964 -5.012 2.581 1.00 0.00 C ATOM 723 O LEU A 50 -2.511 -5.864 3.346 1.00 0.00 O ATOM 724 CB LEU A 50 -2.413 -2.746 3.484 1.00 0.00 C ATOM 725 CG LEU A 50 -1.785 -1.973 2.325 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.683 -0.819 1.904 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.404 -1.463 2.709 1.00 0.00 C ATOM 0 H LEU A 50 -3.905 -3.943 5.169 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.157 -3.256 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.796 -2.027 4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.628 -3.314 3.983 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.677 -2.651 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.220 -0.280 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.650 -1.208 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.823 -0.141 2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.027 -0.915 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.487 -0.801 3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.239 -2.307 2.960 1.00 0.00 H new ATOM 739 N VAL A 51 -2.978 -5.163 1.261 1.00 0.00 N ATOM 740 CA VAL A 51 -2.450 -6.362 0.621 1.00 0.00 C ATOM 741 C VAL A 51 -1.786 -6.030 -0.711 1.00 0.00 C ATOM 742 O VAL A 51 -1.976 -4.942 -1.256 1.00 0.00 O ATOM 743 CB VAL A 51 -3.558 -7.406 0.384 1.00 0.00 C ATOM 744 CG1 VAL A 51 -4.446 -7.532 1.613 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.381 -7.038 -0.842 1.00 0.00 C ATOM 0 H VAL A 51 -3.350 -4.469 0.613 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.706 -6.780 1.299 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.089 -8.373 0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.222 -8.274 1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.844 -7.844 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.909 -6.569 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.159 -7.786 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.841 -6.061 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.733 -7.003 -1.718 1.00 0.00 H new ATOM 755 N LEU A 52 -1.009 -6.973 -1.229 1.00 0.00 N ATOM 756 CA LEU A 52 -0.316 -6.781 -2.498 1.00 0.00 C ATOM 757 C LEU A 52 -1.301 -6.787 -3.663 1.00 0.00 C ATOM 758 O LEU A 52 -2.203 -7.622 -3.720 1.00 0.00 O ATOM 759 CB LEU A 52 0.735 -7.873 -2.699 1.00 0.00 C ATOM 760 CG LEU A 52 2.023 -7.723 -1.887 1.00 0.00 C ATOM 761 CD1 LEU A 52 2.848 -8.999 -1.955 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.831 -6.535 -2.385 1.00 0.00 C ATOM 0 H LEU A 52 -0.842 -7.879 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 52 0.179 -5.810 -2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.283 -8.834 -2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.998 -7.906 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 52 1.756 -7.543 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.760 -8.874 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.269 -9.829 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.107 -9.210 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.744 -6.443 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.089 -6.684 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.240 -5.625 -2.283 1.00 0.00 H new ATOM 774 N GLU A 53 -1.121 -5.852 -4.590 1.00 0.00 N ATOM 775 CA GLU A 53 -1.993 -5.752 -5.753 1.00 0.00 C ATOM 776 C GLU A 53 -1.542 -6.706 -6.856 1.00 0.00 C ATOM 777 O GLU A 53 -1.900 -6.538 -8.021 1.00 0.00 O ATOM 778 CB GLU A 53 -2.013 -4.317 -6.283 1.00 0.00 C ATOM 779 CG GLU A 53 -3.333 -3.923 -6.926 1.00 0.00 C ATOM 780 CD GLU A 53 -3.943 -5.046 -7.741 1.00 0.00 C ATOM 781 OE1 GLU A 53 -4.554 -5.952 -7.139 1.00 0.00 O ATOM 782 OE2 GLU A 53 -3.807 -5.016 -8.983 1.00 0.00 O ATOM 0 H GLU A 53 -0.379 -5.153 -4.558 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.000 -6.031 -5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.800 -3.633 -5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.213 -4.197 -7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.035 -3.620 -6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.176 -3.057 -7.569 1.00 0.00 H new ATOM 789 N GLU A 54 -0.753 -7.707 -6.478 1.00 0.00 N ATOM 790 CA GLU A 54 -0.252 -8.687 -7.435 1.00 0.00 C ATOM 791 C GLU A 54 -0.699 -10.096 -7.055 1.00 0.00 C ATOM 792 O GLU A 54 -1.092 -10.886 -7.913 1.00 0.00 O ATOM 793 CB GLU A 54 1.276 -8.626 -7.507 1.00 0.00 C ATOM 794 CG GLU A 54 1.958 -8.845 -6.167 1.00 0.00 C ATOM 795 CD GLU A 54 3.443 -9.115 -6.306 1.00 0.00 C ATOM 796 OE1 GLU A 54 3.817 -10.288 -6.511 1.00 0.00 O ATOM 797 OE2 GLU A 54 4.232 -8.151 -6.210 1.00 0.00 O ATOM 0 H GLU A 54 -0.447 -7.861 -5.517 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.665 -8.446 -8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.628 -9.379 -8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.574 -7.655 -7.902 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.809 -7.966 -5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.486 -9.684 -5.656 1.00 0.00 H new ATOM 804 N ASP A 55 -0.634 -10.403 -5.764 1.00 0.00 N ATOM 805 CA ASP A 55 -1.030 -11.716 -5.269 1.00 0.00 C ATOM 806 C ASP A 55 -2.077 -11.587 -4.166 1.00 0.00 C ATOM 807 O ASP A 55 -2.718 -12.566 -3.787 1.00 0.00 O ATOM 808 CB ASP A 55 0.188 -12.478 -4.747 1.00 0.00 C ATOM 809 CG ASP A 55 1.221 -12.727 -5.828 1.00 0.00 C ATOM 810 OD1 ASP A 55 0.889 -13.411 -6.819 1.00 0.00 O ATOM 811 OD2 ASP A 55 2.362 -12.241 -5.682 1.00 0.00 O ATOM 0 H ASP A 55 -0.311 -9.760 -5.041 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.467 -12.273 -6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.645 -11.914 -3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.135 -13.432 -4.330 1.00 0.00 H new ATOM 816 N GLY A 56 -2.244 -10.371 -3.654 1.00 0.00 N ATOM 817 CA GLY A 56 -3.211 -10.137 -2.599 1.00 0.00 C ATOM 818 C GLY A 56 -2.702 -10.570 -1.238 1.00 0.00 C ATOM 819 O GLY A 56 -3.485 -10.939 -0.362 1.00 0.00 O ATOM 0 H GLY A 56 -1.726 -9.544 -3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.462 -9.077 -2.569 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.131 -10.676 -2.828 1.00 0.00 H new ATOM 823 N THR A 57 -1.385 -10.527 -1.059 1.00 0.00 N ATOM 824 CA THR A 57 -0.772 -10.921 0.203 1.00 0.00 C ATOM 825 C THR A 57 -0.749 -9.759 1.189 1.00 0.00 C ATOM 826 O THR A 57 -0.114 -8.734 0.941 1.00 0.00 O ATOM 827 CB THR A 57 0.666 -11.431 -0.006 1.00 0.00 C ATOM 828 OG1 THR A 57 0.670 -12.516 -0.941 1.00 0.00 O ATOM 829 CG2 THR A 57 1.276 -11.886 1.310 1.00 0.00 C ATOM 0 H THR A 57 -0.723 -10.223 -1.773 1.00 0.00 H new ATOM 0 HA THR A 57 -1.380 -11.728 0.611 1.00 0.00 H new ATOM 0 HB THR A 57 1.265 -10.610 -0.400 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.588 -12.833 -1.070 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.292 -12.242 1.137 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.299 -11.050 2.009 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.676 -12.693 1.730 1.00 0.00 H new ATOM 837 N VAL A 58 -1.446 -9.925 2.309 1.00 0.00 N ATOM 838 CA VAL A 58 -1.503 -8.890 3.334 1.00 0.00 C ATOM 839 C VAL A 58 -0.111 -8.564 3.865 1.00 0.00 C ATOM 840 O VAL A 58 0.595 -9.439 4.365 1.00 0.00 O ATOM 841 CB VAL A 58 -2.402 -9.315 4.511 1.00 0.00 C ATOM 842 CG1 VAL A 58 -1.952 -10.655 5.070 1.00 0.00 C ATOM 843 CG2 VAL A 58 -2.400 -8.248 5.595 1.00 0.00 C ATOM 0 H VAL A 58 -1.979 -10.766 2.529 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.926 -8.002 2.864 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.422 -9.426 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.599 -10.939 5.900 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.011 -11.413 4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.923 -10.575 5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.040 -8.565 6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.383 -8.103 5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.775 -7.311 5.184 1.00 0.00 H new ATOM 853 N VAL A 59 0.277 -7.298 3.752 1.00 0.00 N ATOM 854 CA VAL A 59 1.584 -6.854 4.222 1.00 0.00 C ATOM 855 C VAL A 59 1.467 -6.103 5.542 1.00 0.00 C ATOM 856 O VAL A 59 1.171 -4.909 5.565 1.00 0.00 O ATOM 857 CB VAL A 59 2.274 -5.946 3.186 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.604 -5.440 3.722 1.00 0.00 C ATOM 859 CG2 VAL A 59 2.468 -6.688 1.872 1.00 0.00 C ATOM 0 H VAL A 59 -0.295 -6.561 3.339 1.00 0.00 H new ATOM 0 HA VAL A 59 2.188 -7.749 4.369 1.00 0.00 H new ATOM 0 HB VAL A 59 1.633 -5.085 2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.077 -4.800 2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.435 -4.869 4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.255 -6.287 3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.957 -6.031 1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.088 -7.568 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.498 -6.996 1.482 1.00 0.00 H new ATOM 869 N ASP A 60 1.703 -6.811 6.642 1.00 0.00 N ATOM 870 CA ASP A 60 1.626 -6.210 7.969 1.00 0.00 C ATOM 871 C ASP A 60 2.969 -6.306 8.688 1.00 0.00 C ATOM 872 O ASP A 60 3.024 -6.524 9.898 1.00 0.00 O ATOM 873 CB ASP A 60 0.540 -6.895 8.800 1.00 0.00 C ATOM 874 CG ASP A 60 -0.814 -6.232 8.642 1.00 0.00 C ATOM 875 OD1 ASP A 60 -0.993 -5.114 9.171 1.00 0.00 O ATOM 876 OD2 ASP A 60 -1.695 -6.829 7.989 1.00 0.00 O ATOM 0 H ASP A 60 1.949 -7.801 6.641 1.00 0.00 H new ATOM 0 HA ASP A 60 1.372 -5.157 7.849 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.466 -7.941 8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.828 -6.881 9.851 1.00 0.00 H new ATOM 881 N THR A 61 4.051 -6.142 7.932 1.00 0.00 N ATOM 882 CA THR A 61 5.393 -6.212 8.495 1.00 0.00 C ATOM 883 C THR A 61 6.316 -5.186 7.847 1.00 0.00 C ATOM 884 O THR A 61 6.218 -4.921 6.649 1.00 0.00 O ATOM 885 CB THR A 61 6.003 -7.616 8.323 1.00 0.00 C ATOM 886 OG1 THR A 61 5.765 -8.093 6.994 1.00 0.00 O ATOM 887 CG2 THR A 61 5.411 -8.590 9.331 1.00 0.00 C ATOM 0 H THR A 61 4.023 -5.960 6.929 1.00 0.00 H new ATOM 0 HA THR A 61 5.300 -5.993 9.559 1.00 0.00 H new ATOM 0 HB THR A 61 7.077 -7.546 8.497 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.157 -8.985 6.892 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.857 -9.575 9.190 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.619 -8.239 10.342 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.333 -8.655 9.184 1.00 0.00 H new ATOM 895 N GLU A 62 7.212 -4.614 8.645 1.00 0.00 N ATOM 896 CA GLU A 62 8.152 -3.617 8.146 1.00 0.00 C ATOM 897 C GLU A 62 9.271 -4.277 7.346 1.00 0.00 C ATOM 898 O GLU A 62 9.834 -3.674 6.433 1.00 0.00 O ATOM 899 CB GLU A 62 8.743 -2.815 9.308 1.00 0.00 C ATOM 900 CG GLU A 62 9.130 -1.395 8.931 1.00 0.00 C ATOM 901 CD GLU A 62 10.135 -0.790 9.893 1.00 0.00 C ATOM 902 OE1 GLU A 62 11.281 -1.285 9.940 1.00 0.00 O ATOM 903 OE2 GLU A 62 9.776 0.175 10.598 1.00 0.00 O ATOM 0 H GLU A 62 7.307 -4.824 9.639 1.00 0.00 H new ATOM 0 HA GLU A 62 7.609 -2.940 7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.018 -2.782 10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.623 -3.334 9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.548 -1.391 7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.235 -0.773 8.907 1.00 0.00 H new ATOM 910 N GLU A 63 9.589 -5.519 7.698 1.00 0.00 N ATOM 911 CA GLU A 63 10.642 -6.261 7.014 1.00 0.00 C ATOM 912 C GLU A 63 10.251 -6.552 5.568 1.00 0.00 C ATOM 913 O GLU A 63 11.089 -6.509 4.667 1.00 0.00 O ATOM 914 CB GLU A 63 10.934 -7.570 7.749 1.00 0.00 C ATOM 915 CG GLU A 63 9.804 -8.583 7.662 1.00 0.00 C ATOM 916 CD GLU A 63 10.191 -9.939 8.218 1.00 0.00 C ATOM 917 OE1 GLU A 63 10.402 -10.040 9.445 1.00 0.00 O ATOM 918 OE2 GLU A 63 10.282 -10.900 7.426 1.00 0.00 O ATOM 0 H GLU A 63 9.133 -6.032 8.452 1.00 0.00 H new ATOM 0 HA GLU A 63 11.542 -5.646 7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.841 -8.014 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.134 -7.351 8.798 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.939 -8.205 8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.501 -8.695 6.621 1.00 0.00 H new ATOM 925 N PHE A 64 8.974 -6.850 5.355 1.00 0.00 N ATOM 926 CA PHE A 64 8.471 -7.150 4.020 1.00 0.00 C ATOM 927 C PHE A 64 8.277 -5.870 3.212 1.00 0.00 C ATOM 928 O PHE A 64 8.487 -5.852 1.999 1.00 0.00 O ATOM 929 CB PHE A 64 7.150 -7.916 4.109 1.00 0.00 C ATOM 930 CG PHE A 64 6.723 -8.530 2.806 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.620 -9.256 2.042 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.425 -8.379 2.347 1.00 0.00 C ATOM 933 CE1 PHE A 64 7.232 -9.823 0.842 1.00 0.00 C ATOM 934 CE2 PHE A 64 5.030 -8.943 1.149 1.00 0.00 C ATOM 935 CZ PHE A 64 5.935 -9.665 0.395 1.00 0.00 C ATOM 0 H PHE A 64 8.268 -6.890 6.090 1.00 0.00 H new ATOM 0 HA PHE A 64 9.209 -7.771 3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.245 -8.702 4.858 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.369 -7.239 4.455 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.636 -9.381 2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.714 -7.814 2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.942 -10.388 0.256 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.015 -8.820 0.802 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.629 -10.105 -0.542 1.00 0.00 H new ATOM 945 N PHE A 65 7.874 -4.803 3.893 1.00 0.00 N ATOM 946 CA PHE A 65 7.649 -3.519 3.238 1.00 0.00 C ATOM 947 C PHE A 65 8.972 -2.869 2.846 1.00 0.00 C ATOM 948 O PHE A 65 9.094 -2.288 1.768 1.00 0.00 O ATOM 949 CB PHE A 65 6.863 -2.583 4.160 1.00 0.00 C ATOM 950 CG PHE A 65 6.905 -1.145 3.731 1.00 0.00 C ATOM 951 CD1 PHE A 65 8.005 -0.355 4.019 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.844 -0.583 3.039 1.00 0.00 C ATOM 953 CE1 PHE A 65 8.046 0.970 3.627 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.879 0.741 2.644 1.00 0.00 C ATOM 955 CZ PHE A 65 6.982 1.518 2.937 1.00 0.00 C ATOM 0 H PHE A 65 7.696 -4.801 4.897 1.00 0.00 H new ATOM 0 HA PHE A 65 7.070 -3.698 2.332 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.825 -2.912 4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.261 -2.664 5.171 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.841 -0.779 4.556 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.979 -1.187 2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.909 1.576 3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.045 1.167 2.107 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.013 2.552 2.627 1.00 0.00 H new ATOM 965 N GLN A 66 9.960 -2.971 3.730 1.00 0.00 N ATOM 966 CA GLN A 66 11.275 -2.393 3.476 1.00 0.00 C ATOM 967 C GLN A 66 11.925 -3.035 2.255 1.00 0.00 C ATOM 968 O GLN A 66 12.775 -2.429 1.601 1.00 0.00 O ATOM 969 CB GLN A 66 12.176 -2.567 4.700 1.00 0.00 C ATOM 970 CG GLN A 66 11.822 -1.642 5.853 1.00 0.00 C ATOM 971 CD GLN A 66 12.173 -0.194 5.569 1.00 0.00 C ATOM 972 OE1 GLN A 66 13.233 0.102 5.017 1.00 0.00 O ATOM 973 NE2 GLN A 66 11.283 0.716 5.946 1.00 0.00 N ATOM 0 H GLN A 66 9.875 -3.448 4.628 1.00 0.00 H new ATOM 0 HA GLN A 66 11.145 -1.329 3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.114 -3.600 5.042 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.211 -2.389 4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.755 -1.719 6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.346 -1.970 6.751 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.417 0.425 6.400 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.465 1.706 5.781 1.00 0.00 H new ATOM 982 N THR A 67 11.521 -4.264 1.952 1.00 0.00 N ATOM 983 CA THR A 67 12.065 -4.988 0.811 1.00 0.00 C ATOM 984 C THR A 67 11.385 -4.563 -0.486 1.00 0.00 C ATOM 985 O THR A 67 11.966 -4.669 -1.567 1.00 0.00 O ATOM 986 CB THR A 67 11.908 -6.510 0.984 1.00 0.00 C ATOM 987 OG1 THR A 67 10.520 -6.856 1.048 1.00 0.00 O ATOM 988 CG2 THR A 67 12.612 -6.987 2.246 1.00 0.00 C ATOM 0 H THR A 67 10.818 -4.779 2.482 1.00 0.00 H new ATOM 0 HA THR A 67 13.126 -4.743 0.759 1.00 0.00 H new ATOM 0 HB THR A 67 12.365 -6.999 0.124 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.985 -6.042 1.156 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.487 -8.065 2.347 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.674 -6.749 2.182 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.180 -6.489 3.114 1.00 0.00 H new ATOM 996 N LEU A 68 10.153 -4.080 -0.372 1.00 0.00 N ATOM 997 CA LEU A 68 9.393 -3.637 -1.535 1.00 0.00 C ATOM 998 C LEU A 68 10.110 -2.496 -2.251 1.00 0.00 C ATOM 999 O LEU A 68 10.558 -1.540 -1.621 1.00 0.00 O ATOM 1000 CB LEU A 68 7.992 -3.192 -1.115 1.00 0.00 C ATOM 1001 CG LEU A 68 7.123 -4.255 -0.443 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.719 -3.722 -0.202 1.00 0.00 C ATOM 1003 CD2 LEU A 68 7.078 -5.519 -1.288 1.00 0.00 C ATOM 0 H LEU A 68 9.659 -3.985 0.515 1.00 0.00 H new ATOM 0 HA LEU A 68 9.308 -4.477 -2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.090 -2.347 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.468 -2.829 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 68 7.566 -4.503 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.115 -4.492 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.768 -2.846 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.266 -3.446 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.455 -6.265 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.659 -5.287 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.087 -5.912 -1.409 1.00 0.00 H new ATOM 1015 N GLY A 69 10.212 -2.605 -3.572 1.00 0.00 N ATOM 1016 CA GLY A 69 10.872 -1.574 -4.351 1.00 0.00 C ATOM 1017 C GLY A 69 10.002 -0.348 -4.548 1.00 0.00 C ATOM 1018 O GLY A 69 9.026 -0.149 -3.824 1.00 0.00 O ATOM 0 H GLY A 69 9.850 -3.388 -4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.797 -1.283 -3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.148 -1.980 -5.324 1.00 0.00 H new ATOM 1022 N ASP A 70 10.356 0.476 -5.527 1.00 0.00 N ATOM 1023 CA ASP A 70 9.601 1.690 -5.817 1.00 0.00 C ATOM 1024 C ASP A 70 8.448 1.397 -6.772 1.00 0.00 C ATOM 1025 O ASP A 70 8.517 0.470 -7.578 1.00 0.00 O ATOM 1026 CB ASP A 70 10.519 2.756 -6.415 1.00 0.00 C ATOM 1027 CG ASP A 70 11.577 2.165 -7.325 1.00 0.00 C ATOM 1028 OD1 ASP A 70 12.530 1.548 -6.804 1.00 0.00 O ATOM 1029 OD2 ASP A 70 11.452 2.318 -8.558 1.00 0.00 O ATOM 0 H ASP A 70 11.162 0.326 -6.134 1.00 0.00 H new ATOM 0 HA ASP A 70 9.187 2.064 -4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.920 3.473 -6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.004 3.307 -5.609 1.00 0.00 H new ATOM 1034 N ASN A 71 7.389 2.194 -6.675 1.00 0.00 N ATOM 1035 CA ASN A 71 6.221 2.020 -7.530 1.00 0.00 C ATOM 1036 C ASN A 71 5.528 0.692 -7.240 1.00 0.00 C ATOM 1037 O ASN A 71 5.101 -0.011 -8.156 1.00 0.00 O ATOM 1038 CB ASN A 71 6.627 2.085 -9.003 1.00 0.00 C ATOM 1039 CG ASN A 71 7.730 3.094 -9.255 1.00 0.00 C ATOM 1040 OD1 ASN A 71 8.773 2.762 -9.818 1.00 0.00 O ATOM 1041 ND2 ASN A 71 7.505 4.335 -8.837 1.00 0.00 N ATOM 0 H ASN A 71 7.316 2.966 -6.013 1.00 0.00 H new ATOM 0 HA ASN A 71 5.522 2.829 -7.317 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.959 1.099 -9.329 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.757 2.344 -9.606 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.212 5.057 -8.978 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.626 4.566 -8.375 1.00 0.00 H new ATOM 1048 N THR A 72 5.418 0.356 -5.958 1.00 0.00 N ATOM 1049 CA THR A 72 4.778 -0.888 -5.547 1.00 0.00 C ATOM 1050 C THR A 72 3.273 -0.703 -5.383 1.00 0.00 C ATOM 1051 O THR A 72 2.821 0.069 -4.537 1.00 0.00 O ATOM 1052 CB THR A 72 5.367 -1.411 -4.224 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.783 -1.578 -4.350 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.728 -2.736 -3.834 1.00 0.00 C ATOM 0 H THR A 72 5.764 0.928 -5.187 1.00 0.00 H new ATOM 0 HA THR A 72 4.968 -1.618 -6.334 1.00 0.00 H new ATOM 0 HB THR A 72 5.156 -0.680 -3.444 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.237 -0.767 -4.039 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.160 -3.086 -2.896 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.654 -2.599 -3.710 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.912 -3.473 -4.616 1.00 0.00 H new ATOM 1062 N HIS A 73 2.502 -1.416 -6.197 1.00 0.00 N ATOM 1063 CA HIS A 73 1.047 -1.332 -6.141 1.00 0.00 C ATOM 1064 C HIS A 73 0.509 -2.041 -4.901 1.00 0.00 C ATOM 1065 O HIS A 73 1.107 -3.000 -4.413 1.00 0.00 O ATOM 1066 CB HIS A 73 0.430 -1.943 -7.399 1.00 0.00 C ATOM 1067 CG HIS A 73 0.276 -0.967 -8.525 1.00 0.00 C ATOM 1068 ND1 HIS A 73 -0.642 0.006 -8.734 1.00 0.00 N flip ATOM 1069 CD2 HIS A 73 1.130 -0.925 -9.606 1.00 0.00 C flip ATOM 1070 CE1 HIS A 73 -0.328 0.613 -9.925 1.00 0.00 C flip ATOM 1071 NE2 HIS A 73 0.745 0.033 -10.431 1.00 0.00 N flip ATOM 0 H HIS A 73 2.860 -2.059 -6.903 1.00 0.00 H new ATOM 0 HA HIS A 73 0.771 -0.279 -6.085 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.052 -2.774 -7.732 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.548 -2.356 -7.151 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.981 -1.573 -9.755 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.870 1.432 -10.375 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.200 0.282 -11.309 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.623 -1.562 -4.395 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.239 -2.148 -3.211 1.00 0.00 C ATOM 1082 C PHE A 74 -2.755 -2.227 -3.371 1.00 0.00 C ATOM 1083 O PHE A 74 -3.331 -1.590 -4.252 1.00 0.00 O ATOM 1084 CB PHE A 74 -0.889 -1.329 -1.968 1.00 0.00 C ATOM 1085 CG PHE A 74 0.566 -1.393 -1.599 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.066 -2.470 -0.885 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.433 -0.377 -1.967 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.403 -2.531 -0.544 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.772 -0.433 -1.628 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.258 -1.512 -0.917 1.00 0.00 C ATOM 0 H PHE A 74 -1.132 -0.770 -4.787 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.849 -3.159 -3.092 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.167 -0.289 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.485 -1.686 -1.128 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.403 -3.271 -0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.058 0.468 -2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.780 -3.375 0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.437 0.366 -1.919 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.304 -1.559 -0.653 1.00 0.00 H new ATOM 1100 N MET A 75 -3.395 -3.015 -2.512 1.00 0.00 N ATOM 1101 CA MET A 75 -4.843 -3.177 -2.557 1.00 0.00 C ATOM 1102 C MET A 75 -5.450 -3.036 -1.165 1.00 0.00 C ATOM 1103 O MET A 75 -5.057 -3.739 -0.232 1.00 0.00 O ATOM 1104 CB MET A 75 -5.206 -4.541 -3.149 1.00 0.00 C ATOM 1105 CG MET A 75 -6.641 -4.961 -2.869 1.00 0.00 C ATOM 1106 SD MET A 75 -7.848 -3.870 -3.647 1.00 0.00 S ATOM 1107 CE MET A 75 -7.843 -4.500 -5.324 1.00 0.00 C ATOM 0 H MET A 75 -2.933 -3.551 -1.777 1.00 0.00 H new ATOM 0 HA MET A 75 -5.252 -2.392 -3.193 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.047 -4.514 -4.227 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.530 -5.295 -2.746 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.794 -5.979 -3.226 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.809 -4.973 -1.792 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.808 -4.300 -5.791 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.055 -4.009 -5.895 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.663 -5.575 -5.308 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.407 -2.125 -1.031 1.00 0.00 N ATOM 1118 CA ILE A 76 -7.067 -1.892 0.248 1.00 0.00 C ATOM 1119 C ILE A 76 -8.409 -2.615 0.313 1.00 0.00 C ATOM 1120 O ILE A 76 -9.270 -2.428 -0.547 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.292 -0.391 0.501 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.586 -0.139 1.981 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.431 0.127 -0.366 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.346 0.124 2.807 1.00 0.00 C ATOM 0 H ILE A 76 -6.743 -1.536 -1.793 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.406 -2.286 1.020 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.383 0.148 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.259 0.714 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.110 -1.002 2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.578 1.190 -0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.185 -0.023 -1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.346 -0.415 -0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.630 0.294 3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.681 -0.738 2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.833 1.005 2.422 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.580 -3.441 1.340 1.00 0.00 N ATOM 1137 CA LEU A 77 -9.817 -4.191 1.519 1.00 0.00 C ATOM 1138 C LEU A 77 -10.470 -3.854 2.856 1.00 0.00 C ATOM 1139 O LEU A 77 -9.786 -3.689 3.866 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.543 -5.694 1.438 1.00 0.00 C ATOM 1141 CG LEU A 77 -8.727 -6.162 0.232 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.273 -7.601 0.422 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.538 -6.021 -1.049 1.00 0.00 C ATOM 0 H LEU A 77 -7.878 -3.608 2.061 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.502 -3.909 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.020 -5.997 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.499 -6.218 1.430 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.842 -5.531 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.694 -7.917 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.655 -7.672 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.145 -8.246 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.941 -6.359 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.441 -6.627 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.813 -4.976 -1.192 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.795 -3.755 2.854 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.539 -3.439 4.069 1.00 0.00 C ATOM 1157 C GLU A 78 -12.743 -4.688 4.922 1.00 0.00 C ATOM 1158 O GLU A 78 -12.453 -5.804 4.491 1.00 0.00 O ATOM 1159 CB GLU A 78 -13.894 -2.822 3.717 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.790 -1.437 3.100 1.00 0.00 C ATOM 1161 CD GLU A 78 -15.047 -1.036 2.354 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -16.070 -0.765 3.018 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -15.009 -0.991 1.106 1.00 0.00 O ATOM 0 H GLU A 78 -12.376 -3.889 2.026 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.958 -2.718 4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.415 -3.482 3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.503 -2.764 4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.589 -0.708 3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.942 -1.411 2.416 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.242 -4.491 6.138 1.00 0.00 N ATOM 1171 CA LYS A 79 -13.486 -5.599 7.054 1.00 0.00 C ATOM 1172 C LYS A 79 -14.245 -6.723 6.357 1.00 0.00 C ATOM 1173 O LYS A 79 -14.043 -7.900 6.655 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.275 -5.115 8.273 1.00 0.00 C ATOM 1175 CG LYS A 79 -14.422 -6.167 9.358 1.00 0.00 C ATOM 1176 CD LYS A 79 -14.800 -5.544 10.692 1.00 0.00 C ATOM 1177 CE LYS A 79 -14.446 -6.458 11.855 1.00 0.00 C ATOM 1178 NZ LYS A 79 -15.434 -7.561 12.014 1.00 0.00 N ATOM 0 H LYS A 79 -13.485 -3.574 6.512 1.00 0.00 H new ATOM 0 HA LYS A 79 -12.522 -5.985 7.383 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.779 -4.239 8.692 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.266 -4.796 7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.183 -6.890 9.064 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.486 -6.715 9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.285 -4.590 10.808 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -15.869 -5.333 10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.453 -6.880 11.697 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.402 -5.875 12.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.158 -8.162 12.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.377 -7.160 12.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.458 -8.133 11.146 1.00 0.00 H new ATOM 1192 N GLY A 80 -15.121 -6.353 5.427 1.00 0.00 N ATOM 1193 CA GLY A 80 -15.896 -7.343 4.702 1.00 0.00 C ATOM 1194 C GLY A 80 -15.554 -7.380 3.226 1.00 0.00 C ATOM 1195 O GLY A 80 -16.435 -7.257 2.375 1.00 0.00 O ATOM 0 H GLY A 80 -15.307 -5.386 5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.721 -8.327 5.137 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.958 -7.127 4.820 1.00 0.00 H new ATOM 1199 N GLN A 81 -14.271 -7.548 2.921 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.815 -7.598 1.537 1.00 0.00 C ATOM 1201 C GLN A 81 -12.536 -8.418 1.415 1.00 0.00 C ATOM 1202 O GLN A 81 -11.808 -8.604 2.391 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.581 -6.183 1.004 1.00 0.00 C ATOM 1204 CG GLN A 81 -14.863 -5.394 0.788 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.734 -4.362 -0.314 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -15.175 -4.583 -1.442 1.00 0.00 O ATOM 1207 NE2 GLN A 81 -14.127 -3.225 0.008 1.00 0.00 N ATOM 0 H GLN A 81 -13.529 -7.652 3.614 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.591 -8.079 0.942 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.944 -5.641 1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.039 -6.244 0.061 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.672 -6.082 0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.139 -4.895 1.717 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.777 -3.084 0.956 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.011 -2.493 -0.692 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.266 -8.908 0.209 1.00 0.00 N ATOM 1217 CA LYS A 82 -11.073 -9.709 -0.043 1.00 0.00 C ATOM 1218 C LYS A 82 -10.388 -9.274 -1.335 1.00 0.00 C ATOM 1219 O LYS A 82 -10.917 -8.448 -2.080 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.437 -11.193 -0.121 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.441 -11.517 -1.214 1.00 0.00 C ATOM 1222 CD LYS A 82 -12.865 -12.975 -1.168 1.00 0.00 C ATOM 1223 CE LYS A 82 -13.697 -13.352 -2.384 1.00 0.00 C ATOM 1224 NZ LYS A 82 -14.400 -14.651 -2.195 1.00 0.00 N ATOM 0 H LYS A 82 -12.858 -8.764 -0.609 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.381 -9.554 0.784 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.529 -11.773 -0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.844 -11.510 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.318 -10.879 -1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.004 -11.295 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.981 -13.611 -1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.440 -13.159 -0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.429 -12.568 -2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.052 -13.412 -3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.956 -14.872 -3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.701 -15.404 -2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.035 -14.586 -1.374 1.00 0.00 H new ATOM 1238 N TRP A 83 -9.213 -9.835 -1.594 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.458 -9.506 -2.797 1.00 0.00 C ATOM 1240 C TRP A 83 -8.767 -10.489 -3.920 1.00 0.00 C ATOM 1241 O TRP A 83 -9.109 -11.644 -3.669 1.00 0.00 O ATOM 1242 CB TRP A 83 -6.958 -9.508 -2.498 1.00 0.00 C ATOM 1243 CG TRP A 83 -6.108 -9.605 -3.729 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.439 -8.586 -4.347 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.838 -10.785 -4.493 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.769 -9.062 -5.448 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -4.997 -10.409 -5.559 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.221 -12.123 -4.380 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.537 -11.323 -6.503 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -5.765 -13.030 -5.318 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -4.929 -12.627 -6.367 1.00 0.00 C ATOM 0 H TRP A 83 -8.762 -10.520 -0.987 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.755 -8.509 -3.122 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.701 -8.597 -1.958 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.727 -10.345 -1.839 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.437 -7.557 -4.018 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.195 -8.504 -6.080 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -6.863 -12.444 -3.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.894 -11.014 -7.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -6.058 -14.067 -5.241 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.587 -13.360 -7.083 1.00 0.00 H new ATOM 1262 N MET A 84 -8.646 -10.022 -5.159 1.00 0.00 N ATOM 1263 CA MET A 84 -8.912 -10.863 -6.320 1.00 0.00 C ATOM 1264 C MET A 84 -7.841 -10.667 -7.390 1.00 0.00 C ATOM 1265 O MET A 84 -7.331 -9.566 -7.596 1.00 0.00 O ATOM 1266 CB MET A 84 -10.292 -10.548 -6.900 1.00 0.00 C ATOM 1267 CG MET A 84 -11.434 -10.826 -5.936 1.00 0.00 C ATOM 1268 SD MET A 84 -12.979 -11.210 -6.783 1.00 0.00 S ATOM 1269 CE MET A 84 -12.631 -12.858 -7.393 1.00 0.00 C ATOM 0 H MET A 84 -8.366 -9.067 -5.384 1.00 0.00 H new ATOM 0 HA MET A 84 -8.891 -11.903 -5.996 1.00 0.00 H new ATOM 0 HB2 MET A 84 -10.323 -9.499 -7.194 1.00 0.00 H new ATOM 0 HB3 MET A 84 -10.440 -11.137 -7.805 1.00 0.00 H new ATOM 0 HG2 MET A 84 -11.163 -11.659 -5.288 1.00 0.00 H new ATOM 0 HG3 MET A 84 -11.582 -9.958 -5.294 1.00 0.00 H new ATOM 0 HE1 MET A 84 -13.567 -13.361 -7.635 1.00 0.00 H new ATOM 0 HE2 MET A 84 -12.012 -12.792 -8.288 1.00 0.00 H new ATOM 0 HE3 MET A 84 -12.102 -13.425 -6.627 1.00 0.00 H new ATOM 1279 N PRO A 85 -7.492 -11.759 -8.086 1.00 0.00 N ATOM 1280 CA PRO A 85 -6.480 -11.732 -9.145 1.00 0.00 C ATOM 1281 C PRO A 85 -6.954 -10.976 -10.382 1.00 0.00 C ATOM 1282 O PRO A 85 -8.073 -10.464 -10.417 1.00 0.00 O ATOM 1283 CB PRO A 85 -6.269 -13.212 -9.473 1.00 0.00 C ATOM 1284 CG PRO A 85 -7.544 -13.873 -9.078 1.00 0.00 C ATOM 1285 CD PRO A 85 -8.059 -13.104 -7.893 1.00 0.00 C ATOM 0 HA PRO A 85 -5.573 -11.218 -8.827 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.060 -13.357 -10.533 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.423 -13.623 -8.922 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.263 -13.855 -9.897 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.378 -14.919 -8.822 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.149 -13.081 -7.871 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.731 -13.547 -6.953 1.00 0.00 H new ATOM 1293 N SER A 86 -6.096 -10.908 -11.394 1.00 0.00 N ATOM 1294 CA SER A 86 -6.427 -10.211 -12.631 1.00 0.00 C ATOM 1295 C SER A 86 -6.697 -11.204 -13.759 1.00 0.00 C ATOM 1296 O SER A 86 -6.548 -12.412 -13.586 1.00 0.00 O ATOM 1297 CB SER A 86 -5.291 -9.267 -13.030 1.00 0.00 C ATOM 1298 OG SER A 86 -4.231 -9.976 -13.646 1.00 0.00 O ATOM 0 H SER A 86 -5.166 -11.327 -11.382 1.00 0.00 H new ATOM 0 HA SER A 86 -7.331 -9.628 -12.459 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.669 -8.506 -13.713 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.920 -8.746 -12.147 1.00 0.00 H new ATOM 0 HG SER A 86 -3.519 -9.350 -13.893 1.00 0.00 H new ATOM 1304 N GLY A 87 -7.095 -10.681 -14.915 1.00 0.00 N ATOM 1305 CA GLY A 87 -7.380 -11.534 -16.055 1.00 0.00 C ATOM 1306 C GLY A 87 -8.333 -10.887 -17.039 1.00 0.00 C ATOM 1307 O GLY A 87 -9.180 -10.073 -16.672 1.00 0.00 O ATOM 0 H GLY A 87 -7.225 -9.683 -15.083 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.448 -11.778 -16.564 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.807 -12.473 -15.704 1.00 0.00 H new ATOM 1311 N PRO A 88 -8.200 -11.250 -18.324 1.00 0.00 N ATOM 1312 CA PRO A 88 -9.048 -10.710 -19.391 1.00 0.00 C ATOM 1313 C PRO A 88 -10.486 -11.209 -19.297 1.00 0.00 C ATOM 1314 O PRO A 88 -10.743 -12.409 -19.380 1.00 0.00 O ATOM 1315 CB PRO A 88 -8.384 -11.229 -20.669 1.00 0.00 C ATOM 1316 CG PRO A 88 -7.663 -12.463 -20.246 1.00 0.00 C ATOM 1317 CD PRO A 88 -7.212 -12.215 -18.834 1.00 0.00 C ATOM 0 HA PRO A 88 -9.121 -9.623 -19.343 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -9.124 -11.447 -21.439 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.697 -10.492 -21.086 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.316 -13.334 -20.300 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.812 -12.661 -20.898 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.207 -13.133 -18.247 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.201 -11.810 -18.801 1.00 0.00 H new ATOM 1325 N SER A 89 -11.420 -10.279 -19.124 1.00 0.00 N ATOM 1326 CA SER A 89 -12.832 -10.624 -19.017 1.00 0.00 C ATOM 1327 C SER A 89 -13.711 -9.399 -19.249 1.00 0.00 C ATOM 1328 O SER A 89 -13.775 -8.500 -18.412 1.00 0.00 O ATOM 1329 CB SER A 89 -13.128 -11.225 -17.641 1.00 0.00 C ATOM 1330 OG SER A 89 -14.293 -12.031 -17.676 1.00 0.00 O ATOM 0 H SER A 89 -11.224 -9.280 -19.055 1.00 0.00 H new ATOM 0 HA SER A 89 -13.059 -11.362 -19.786 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.278 -11.823 -17.311 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.257 -10.425 -16.912 1.00 0.00 H new ATOM 0 HG SER A 89 -14.459 -12.404 -16.785 1.00 0.00 H new ATOM 1336 N SER A 90 -14.387 -9.372 -20.394 1.00 0.00 N ATOM 1337 CA SER A 90 -15.260 -8.256 -20.739 1.00 0.00 C ATOM 1338 C SER A 90 -16.445 -8.176 -19.781 1.00 0.00 C ATOM 1339 O SER A 90 -16.668 -9.079 -18.976 1.00 0.00 O ATOM 1340 CB SER A 90 -15.761 -8.401 -22.178 1.00 0.00 C ATOM 1341 OG SER A 90 -16.717 -9.442 -22.283 1.00 0.00 O ATOM 0 H SER A 90 -14.347 -10.110 -21.097 1.00 0.00 H new ATOM 0 HA SER A 90 -14.684 -7.335 -20.653 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.204 -7.462 -22.508 1.00 0.00 H new ATOM 0 HB3 SER A 90 -14.920 -8.607 -22.840 1.00 0.00 H new ATOM 0 HG SER A 90 -17.023 -9.513 -23.211 1.00 0.00 H new ATOM 1347 N GLY A 91 -17.201 -7.087 -19.876 1.00 0.00 N ATOM 1348 CA GLY A 91 -18.353 -6.907 -19.013 1.00 0.00 C ATOM 1349 C GLY A 91 -19.452 -7.912 -19.296 1.00 0.00 C ATOM 1350 O GLY A 91 -19.201 -9.116 -19.352 1.00 0.00 O ATOM 0 H GLY A 91 -17.036 -6.326 -20.535 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -18.041 -6.998 -17.972 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -18.745 -5.898 -19.142 1.00 0.00 H new TER 1354 GLY A 91