USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 739 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 49 HIS : no HE2:sc= -1.36! C(o=-1!,f=-3.2!) USER MOD Set 1.2: A 60 ASN : amide:sc= 0.332 K(o=-1,f=-5.2!) USER MOD Set 2.1: A 43 ASN : amide:sc= -0.373 X(o=-0.88,f=-0.79!) USER MOD Set 2.2: A 45 THR OG1 : rot 26:sc= -0.51! USER MOD Set 3.1: A 35 SER OG : rot 62:sc= -0.449 USER MOD Set 3.2: A 83 ASN : amide:sc= -2.92 K(o=-3.4,f=-4.8!) USER MOD Set 4.1: A 29 CYS SG : rot 171:sc= 1.41 USER MOD Set 4.2: A 79 CYS SG : rot 108:sc= 1.63 USER MOD Set 5.1: A 24 MET CE :methyl -108:sc= -1.57 (180deg=0) USER MOD Set 5.2: A 65 ASN : amide:sc= -2.3 K(o=-3.9,f=-5.3) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0474 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0606 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.905 K(o=-0.9,f=-1.7!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0464 USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0556) USER MOD Single : A 31 THR OG1 : rot 150:sc= 0 USER MOD Single : A 34 MET CE :methyl -177:sc= 0 (180deg=-0.0182) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.719) USER MOD Single : A 48 SER OG : rot 47:sc= 0.631 USER MOD Single : A 51 SER OG : rot -79:sc= 0.292 USER MOD Single : A 53 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-3.7!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -5.28! C(o=-6.5!,f=-5.3!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 100:sc= 0.937 USER MOD Single : A 77 TYR OH : rot -36:sc= 0.0231 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 170:sc= -6.81! (180deg=-7.52!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -3.91 K(o=-3.9,f=-10!) USER MOD Single : A 88 SER OG : rot -70:sc= -0.371 USER MOD Single : A 89 ASN : amide:sc= -5.1! C(o=-5.1!,f=-11!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.946 K(o=-0.95,f=-6.6!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -0:sc= 0.618 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.277 21.301 -0.529 1.00 0.00 N ATOM 2 CA GLY A 1 28.403 20.492 -1.359 1.00 0.00 C ATOM 3 C GLY A 1 28.179 19.107 -0.785 1.00 0.00 C ATOM 4 O GLY A 1 28.328 18.894 0.418 1.00 0.00 O ATOM 0 H1 GLY A 1 28.842 22.232 -0.371 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.423 20.828 0.386 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.193 21.423 -1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.443 20.996 -1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.833 20.404 -2.357 1.00 0.00 H new ATOM 8 N SER A 2 27.818 18.162 -1.648 1.00 0.00 N ATOM 9 CA SER A 2 27.567 16.791 -1.220 1.00 0.00 C ATOM 10 C SER A 2 27.345 15.879 -2.422 1.00 0.00 C ATOM 11 O SER A 2 26.538 16.177 -3.302 1.00 0.00 O ATOM 12 CB SER A 2 26.350 16.738 -0.294 1.00 0.00 C ATOM 13 OG SER A 2 26.326 15.531 0.447 1.00 0.00 O ATOM 0 H SER A 2 27.693 18.321 -2.648 1.00 0.00 H new ATOM 0 HA SER A 2 28.444 16.440 -0.676 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.371 17.587 0.389 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.437 16.825 -0.883 1.00 0.00 H new ATOM 0 HG SER A 2 25.540 15.522 1.032 1.00 0.00 H new ATOM 19 N SER A 3 28.069 14.764 -2.452 1.00 0.00 N ATOM 20 CA SER A 3 27.955 13.808 -3.548 1.00 0.00 C ATOM 21 C SER A 3 27.019 12.663 -3.175 1.00 0.00 C ATOM 22 O SER A 3 27.295 11.500 -3.466 1.00 0.00 O ATOM 23 CB SER A 3 29.333 13.256 -3.916 1.00 0.00 C ATOM 24 OG SER A 3 29.940 12.617 -2.806 1.00 0.00 O ATOM 0 H SER A 3 28.740 14.501 -1.731 1.00 0.00 H new ATOM 0 HA SER A 3 27.538 14.329 -4.410 1.00 0.00 H new ATOM 0 HB2 SER A 3 29.237 12.548 -4.739 1.00 0.00 H new ATOM 0 HB3 SER A 3 29.971 14.067 -4.266 1.00 0.00 H new ATOM 0 HG SER A 3 30.819 12.271 -3.068 1.00 0.00 H new ATOM 30 N GLY A 4 25.908 13.002 -2.527 1.00 0.00 N ATOM 31 CA GLY A 4 24.947 11.992 -2.124 1.00 0.00 C ATOM 32 C GLY A 4 23.986 11.628 -3.239 1.00 0.00 C ATOM 33 O GLY A 4 23.379 12.504 -3.855 1.00 0.00 O ATOM 0 H GLY A 4 25.657 13.958 -2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.479 11.097 -1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.382 12.355 -1.265 1.00 0.00 H new ATOM 37 N SER A 5 23.849 10.332 -3.499 1.00 0.00 N ATOM 38 CA SER A 5 22.959 9.854 -4.552 1.00 0.00 C ATOM 39 C SER A 5 22.022 8.773 -4.021 1.00 0.00 C ATOM 40 O SER A 5 22.467 7.763 -3.476 1.00 0.00 O ATOM 41 CB SER A 5 23.772 9.308 -5.727 1.00 0.00 C ATOM 42 OG SER A 5 22.958 9.137 -6.874 1.00 0.00 O ATOM 0 H SER A 5 24.342 9.594 -2.996 1.00 0.00 H new ATOM 0 HA SER A 5 22.358 10.696 -4.896 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.590 9.991 -5.956 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.221 8.354 -5.450 1.00 0.00 H new ATOM 0 HG SER A 5 23.501 8.789 -7.612 1.00 0.00 H new ATOM 48 N SER A 6 20.722 8.993 -4.186 1.00 0.00 N ATOM 49 CA SER A 6 19.720 8.041 -3.721 1.00 0.00 C ATOM 50 C SER A 6 19.170 7.220 -4.884 1.00 0.00 C ATOM 51 O SER A 6 19.260 7.625 -6.042 1.00 0.00 O ATOM 52 CB SER A 6 18.578 8.774 -3.015 1.00 0.00 C ATOM 53 OG SER A 6 17.540 7.877 -2.658 1.00 0.00 O ATOM 0 H SER A 6 20.338 9.822 -4.638 1.00 0.00 H new ATOM 0 HA SER A 6 20.199 7.363 -3.014 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.957 9.270 -2.122 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.182 9.552 -3.668 1.00 0.00 H new ATOM 0 HG SER A 6 16.823 8.369 -2.207 1.00 0.00 H new ATOM 59 N GLY A 7 18.600 6.061 -4.565 1.00 0.00 N ATOM 60 CA GLY A 7 18.044 5.200 -5.592 1.00 0.00 C ATOM 61 C GLY A 7 17.755 3.803 -5.082 1.00 0.00 C ATOM 62 O GLY A 7 18.555 2.881 -5.244 1.00 0.00 O ATOM 0 H GLY A 7 18.514 5.704 -3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.124 5.642 -5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.740 5.141 -6.429 1.00 0.00 H new ATOM 66 N PRO A 8 16.585 3.630 -4.449 1.00 0.00 N ATOM 67 CA PRO A 8 16.165 2.337 -3.900 1.00 0.00 C ATOM 68 C PRO A 8 15.836 1.324 -4.991 1.00 0.00 C ATOM 69 O PRO A 8 16.122 1.548 -6.167 1.00 0.00 O ATOM 70 CB PRO A 8 14.909 2.684 -3.097 1.00 0.00 C ATOM 71 CG PRO A 8 14.380 3.921 -3.736 1.00 0.00 C ATOM 72 CD PRO A 8 15.582 4.684 -4.221 1.00 0.00 C ATOM 0 HA PRO A 8 16.952 1.871 -3.307 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.179 1.876 -3.135 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.145 2.851 -2.046 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.712 3.678 -4.563 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.804 4.512 -3.024 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.365 5.237 -5.135 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.922 5.410 -3.482 1.00 0.00 H new ATOM 80 N PHE A 9 15.232 0.208 -4.593 1.00 0.00 N ATOM 81 CA PHE A 9 14.865 -0.840 -5.538 1.00 0.00 C ATOM 82 C PHE A 9 13.366 -0.814 -5.823 1.00 0.00 C ATOM 83 O PHE A 9 12.728 -1.861 -5.943 1.00 0.00 O ATOM 84 CB PHE A 9 15.268 -2.212 -4.992 1.00 0.00 C ATOM 85 CG PHE A 9 16.727 -2.521 -5.168 1.00 0.00 C ATOM 86 CD1 PHE A 9 17.230 -2.866 -6.412 1.00 0.00 C ATOM 87 CD2 PHE A 9 17.595 -2.469 -4.090 1.00 0.00 C ATOM 88 CE1 PHE A 9 18.573 -3.151 -6.578 1.00 0.00 C ATOM 89 CE2 PHE A 9 18.938 -2.753 -4.249 1.00 0.00 C ATOM 90 CZ PHE A 9 19.427 -3.095 -5.495 1.00 0.00 C ATOM 0 H PHE A 9 14.987 0.007 -3.624 1.00 0.00 H new ATOM 0 HA PHE A 9 15.398 -0.657 -6.471 1.00 0.00 H new ATOM 0 HB2 PHE A 9 15.020 -2.260 -3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.679 -2.981 -5.492 1.00 0.00 H new ATOM 0 HD1 PHE A 9 16.565 -2.913 -7.262 1.00 0.00 H new ATOM 0 HD2 PHE A 9 17.218 -2.203 -3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 9 18.953 -3.417 -7.553 1.00 0.00 H new ATOM 0 HE2 PHE A 9 19.604 -2.708 -3.400 1.00 0.00 H new ATOM 0 HZ PHE A 9 20.476 -3.318 -5.622 1.00 0.00 H new ATOM 100 N ILE A 10 12.810 0.388 -5.929 1.00 0.00 N ATOM 101 CA ILE A 10 11.388 0.551 -6.200 1.00 0.00 C ATOM 102 C ILE A 10 11.159 1.394 -7.450 1.00 0.00 C ATOM 103 O ILE A 10 11.248 2.621 -7.408 1.00 0.00 O ATOM 104 CB ILE A 10 10.659 1.206 -5.012 1.00 0.00 C ATOM 105 CG1 ILE A 10 10.733 0.303 -3.779 1.00 0.00 C ATOM 106 CG2 ILE A 10 9.211 1.499 -5.375 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.695 1.061 -2.471 1.00 0.00 C ATOM 0 H ILE A 10 13.324 1.264 -5.831 1.00 0.00 H new ATOM 0 HA ILE A 10 10.981 -0.448 -6.359 1.00 0.00 H new ATOM 0 HB ILE A 10 11.152 2.149 -4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.902 -0.402 -3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.651 -0.284 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.709 1.962 -4.525 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.180 2.177 -6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.705 0.569 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.751 0.357 -1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.541 1.747 -2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.765 1.626 -2.405 1.00 0.00 H new ATOM 119 N MET A 11 10.863 0.728 -8.561 1.00 0.00 N ATOM 120 CA MET A 11 10.618 1.417 -9.823 1.00 0.00 C ATOM 121 C MET A 11 9.670 2.595 -9.624 1.00 0.00 C ATOM 122 O MET A 11 9.811 3.634 -10.269 1.00 0.00 O ATOM 123 CB MET A 11 10.036 0.447 -10.853 1.00 0.00 C ATOM 124 CG MET A 11 10.944 -0.733 -11.158 1.00 0.00 C ATOM 125 SD MET A 11 12.569 -0.224 -11.751 1.00 0.00 S ATOM 126 CE MET A 11 13.619 -1.426 -10.938 1.00 0.00 C ATOM 0 H MET A 11 10.787 -0.288 -8.613 1.00 0.00 H new ATOM 0 HA MET A 11 11.570 1.798 -10.191 1.00 0.00 H new ATOM 0 HB2 MET A 11 9.079 0.074 -10.488 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.835 0.989 -11.777 1.00 0.00 H new ATOM 0 HG2 MET A 11 11.063 -1.337 -10.259 1.00 0.00 H new ATOM 0 HG3 MET A 11 10.470 -1.367 -11.908 1.00 0.00 H new ATOM 0 HE1 MET A 11 14.659 -1.242 -11.207 1.00 0.00 H new ATOM 0 HE2 MET A 11 13.503 -1.339 -9.858 1.00 0.00 H new ATOM 0 HE3 MET A 11 13.335 -2.430 -11.254 1.00 0.00 H new ATOM 136 N ASP A 12 8.703 2.426 -8.728 1.00 0.00 N ATOM 137 CA ASP A 12 7.732 3.476 -8.444 1.00 0.00 C ATOM 138 C ASP A 12 7.245 3.389 -7.001 1.00 0.00 C ATOM 139 O ASP A 12 6.688 2.374 -6.583 1.00 0.00 O ATOM 140 CB ASP A 12 6.545 3.376 -9.403 1.00 0.00 C ATOM 141 CG ASP A 12 6.754 4.183 -10.669 1.00 0.00 C ATOM 142 OD1 ASP A 12 6.454 5.395 -10.655 1.00 0.00 O ATOM 143 OD2 ASP A 12 7.216 3.604 -11.674 1.00 0.00 O ATOM 0 H ASP A 12 8.571 1.572 -8.186 1.00 0.00 H new ATOM 0 HA ASP A 12 8.223 4.439 -8.586 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.380 2.331 -9.665 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.644 3.724 -8.898 1.00 0.00 H new ATOM 148 N ALA A 13 7.459 4.460 -6.244 1.00 0.00 N ATOM 149 CA ALA A 13 7.041 4.505 -4.848 1.00 0.00 C ATOM 150 C ALA A 13 5.656 5.128 -4.710 1.00 0.00 C ATOM 151 O ALA A 13 5.276 6.029 -5.458 1.00 0.00 O ATOM 152 CB ALA A 13 8.055 5.279 -4.018 1.00 0.00 C ATOM 0 H ALA A 13 7.919 5.308 -6.574 1.00 0.00 H new ATOM 0 HA ALA A 13 6.989 3.482 -4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.730 5.305 -2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.027 4.790 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.135 6.297 -4.398 1.00 0.00 H new ATOM 158 N PRO A 14 4.881 4.638 -3.731 1.00 0.00 N ATOM 159 CA PRO A 14 3.525 5.133 -3.472 1.00 0.00 C ATOM 160 C PRO A 14 3.523 6.546 -2.900 1.00 0.00 C ATOM 161 O PRO A 14 4.430 6.928 -2.160 1.00 0.00 O ATOM 162 CB PRO A 14 2.976 4.140 -2.445 1.00 0.00 C ATOM 163 CG PRO A 14 4.182 3.595 -1.762 1.00 0.00 C ATOM 164 CD PRO A 14 5.268 3.564 -2.801 1.00 0.00 C ATOM 0 HA PRO A 14 2.932 5.195 -4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.308 4.631 -1.737 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.403 3.348 -2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.468 4.221 -0.917 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.990 2.597 -1.368 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.249 3.746 -2.362 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.317 2.597 -3.302 1.00 0.00 H new ATOM 172 N ARG A 15 2.499 7.319 -3.247 1.00 0.00 N ATOM 173 CA ARG A 15 2.380 8.691 -2.768 1.00 0.00 C ATOM 174 C ARG A 15 1.051 8.902 -2.049 1.00 0.00 C ATOM 175 O ARG A 15 0.074 8.198 -2.308 1.00 0.00 O ATOM 176 CB ARG A 15 2.503 9.673 -3.935 1.00 0.00 C ATOM 177 CG ARG A 15 2.637 11.122 -3.499 1.00 0.00 C ATOM 178 CD ARG A 15 2.269 12.079 -4.622 1.00 0.00 C ATOM 179 NE ARG A 15 0.823 12.211 -4.776 1.00 0.00 N ATOM 180 CZ ARG A 15 0.243 13.198 -5.450 1.00 0.00 C ATOM 181 NH1 ARG A 15 0.983 14.133 -6.031 1.00 0.00 N ATOM 182 NH2 ARG A 15 -1.079 13.250 -5.546 1.00 0.00 N ATOM 0 H ARG A 15 1.740 7.018 -3.858 1.00 0.00 H new ATOM 0 HA ARG A 15 3.189 8.875 -2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.370 9.402 -4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.627 9.575 -4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.994 11.305 -2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.661 11.313 -3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.703 13.058 -4.421 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.702 11.724 -5.557 1.00 0.00 H new ATOM 0 HE ARG A 15 0.226 11.507 -4.342 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.000 14.095 -5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.535 14.890 -6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.651 12.532 -5.102 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.523 14.008 -6.064 1.00 0.00 H new ATOM 196 N ASP A 16 1.021 9.875 -1.145 1.00 0.00 N ATOM 197 CA ASP A 16 -0.188 10.180 -0.389 1.00 0.00 C ATOM 198 C ASP A 16 -1.431 9.984 -1.250 1.00 0.00 C ATOM 199 O ASP A 16 -1.462 10.382 -2.416 1.00 0.00 O ATOM 200 CB ASP A 16 -0.137 11.615 0.137 1.00 0.00 C ATOM 201 CG ASP A 16 0.143 12.624 -0.959 1.00 0.00 C ATOM 202 OD1 ASP A 16 -0.544 12.575 -2.001 1.00 0.00 O ATOM 203 OD2 ASP A 16 1.048 13.464 -0.775 1.00 0.00 O ATOM 0 H ASP A 16 1.821 10.466 -0.918 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.242 9.493 0.456 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.086 11.857 0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.635 11.691 0.903 1.00 0.00 H new ATOM 208 N LEU A 17 -2.455 9.368 -0.670 1.00 0.00 N ATOM 209 CA LEU A 17 -3.702 9.118 -1.385 1.00 0.00 C ATOM 210 C LEU A 17 -4.901 9.598 -0.573 1.00 0.00 C ATOM 211 O LEU A 17 -5.041 9.263 0.602 1.00 0.00 O ATOM 212 CB LEU A 17 -3.846 7.627 -1.694 1.00 0.00 C ATOM 213 CG LEU A 17 -5.176 7.194 -2.312 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.305 7.729 -3.730 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.302 5.678 -2.299 1.00 0.00 C ATOM 0 H LEU A 17 -2.447 9.032 0.293 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.673 9.676 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.043 7.338 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.700 7.069 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.986 7.611 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.258 7.411 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.261 8.818 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.489 7.342 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.255 5.388 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.486 5.240 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.256 5.318 -1.271 1.00 0.00 H new ATOM 227 N ASN A 18 -5.764 10.383 -1.209 1.00 0.00 N ATOM 228 CA ASN A 18 -6.953 10.908 -0.547 1.00 0.00 C ATOM 229 C ASN A 18 -8.217 10.256 -1.099 1.00 0.00 C ATOM 230 O ASN A 18 -8.589 10.478 -2.251 1.00 0.00 O ATOM 231 CB ASN A 18 -7.031 12.426 -0.721 1.00 0.00 C ATOM 232 CG ASN A 18 -7.038 12.841 -2.180 1.00 0.00 C ATOM 233 OD1 ASN A 18 -8.088 12.876 -2.821 1.00 0.00 O ATOM 234 ND2 ASN A 18 -5.862 13.157 -2.710 1.00 0.00 N ATOM 0 H ASN A 18 -5.662 10.670 -2.183 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.879 10.674 0.515 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.933 12.799 -0.236 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.183 12.891 -0.218 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.803 13.443 -3.687 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.017 13.113 -2.140 1.00 0.00 H new ATOM 241 N ILE A 19 -8.871 9.451 -0.269 1.00 0.00 N ATOM 242 CA ILE A 19 -10.094 8.768 -0.673 1.00 0.00 C ATOM 243 C ILE A 19 -11.160 8.859 0.414 1.00 0.00 C ATOM 244 O ILE A 19 -10.846 9.018 1.593 1.00 0.00 O ATOM 245 CB ILE A 19 -9.830 7.285 -0.995 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.119 6.605 -1.463 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.261 6.572 0.222 1.00 0.00 C ATOM 248 CD1 ILE A 19 -10.880 5.372 -2.306 1.00 0.00 C ATOM 0 H ILE A 19 -8.575 9.256 0.687 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.453 9.269 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.098 7.228 -1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.712 6.330 -0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.709 7.319 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.080 5.525 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.323 7.044 0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.972 6.635 1.046 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.837 4.942 -2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.314 5.644 -3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.317 4.639 -1.728 1.00 0.00 H new ATOM 260 N SER A 20 -12.421 8.755 0.008 1.00 0.00 N ATOM 261 CA SER A 20 -13.535 8.828 0.947 1.00 0.00 C ATOM 262 C SER A 20 -13.836 7.455 1.539 1.00 0.00 C ATOM 263 O SER A 20 -13.356 6.435 1.044 1.00 0.00 O ATOM 264 CB SER A 20 -14.780 9.380 0.251 1.00 0.00 C ATOM 265 OG SER A 20 -15.801 9.672 1.190 1.00 0.00 O ATOM 0 H SER A 20 -12.697 8.620 -0.965 1.00 0.00 H new ATOM 0 HA SER A 20 -13.253 9.500 1.757 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.521 10.283 -0.302 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.146 8.655 -0.476 1.00 0.00 H new ATOM 0 HG SER A 20 -16.586 10.025 0.721 1.00 0.00 H new ATOM 271 N GLU A 21 -14.634 7.438 2.602 1.00 0.00 N ATOM 272 CA GLU A 21 -14.998 6.190 3.263 1.00 0.00 C ATOM 273 C GLU A 21 -15.983 5.392 2.414 1.00 0.00 C ATOM 274 O GLU A 21 -16.955 5.937 1.893 1.00 0.00 O ATOM 275 CB GLU A 21 -15.608 6.475 4.638 1.00 0.00 C ATOM 276 CG GLU A 21 -16.135 5.234 5.338 1.00 0.00 C ATOM 277 CD GLU A 21 -17.310 5.532 6.248 1.00 0.00 C ATOM 278 OE1 GLU A 21 -17.242 6.526 7.001 1.00 0.00 O ATOM 279 OE2 GLU A 21 -18.300 4.771 6.207 1.00 0.00 O ATOM 0 H GLU A 21 -15.040 8.273 3.023 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.092 5.598 3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.855 6.946 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.422 7.191 4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.436 4.500 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.333 4.783 5.922 1.00 0.00 H new ATOM 286 N GLY A 22 -15.722 4.095 2.277 1.00 0.00 N ATOM 287 CA GLY A 22 -16.593 3.242 1.490 1.00 0.00 C ATOM 288 C GLY A 22 -16.298 3.325 0.005 1.00 0.00 C ATOM 289 O GLY A 22 -17.196 3.170 -0.822 1.00 0.00 O ATOM 0 H GLY A 22 -14.923 3.620 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.482 2.210 1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.631 3.525 1.668 1.00 0.00 H new ATOM 293 N ARG A 23 -15.037 3.573 -0.333 1.00 0.00 N ATOM 294 CA ARG A 23 -14.626 3.680 -1.728 1.00 0.00 C ATOM 295 C ARG A 23 -13.410 2.802 -2.006 1.00 0.00 C ATOM 296 O ARG A 23 -12.737 2.347 -1.081 1.00 0.00 O ATOM 297 CB ARG A 23 -14.309 5.135 -2.078 1.00 0.00 C ATOM 298 CG ARG A 23 -15.496 6.071 -1.923 1.00 0.00 C ATOM 299 CD ARG A 23 -15.387 7.268 -2.854 1.00 0.00 C ATOM 300 NE ARG A 23 -16.528 8.170 -2.722 1.00 0.00 N ATOM 301 CZ ARG A 23 -16.630 9.327 -3.368 1.00 0.00 C ATOM 302 NH1 ARG A 23 -15.663 9.719 -4.187 1.00 0.00 N ATOM 303 NH2 ARG A 23 -17.699 10.093 -3.196 1.00 0.00 N ATOM 0 H ARG A 23 -14.282 3.704 0.340 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.451 3.335 -2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.496 5.484 -1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.951 5.183 -3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.418 5.529 -2.132 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.556 6.416 -0.891 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.468 7.812 -2.638 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.317 6.920 -3.885 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.289 7.897 -2.100 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.840 9.132 -4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.743 10.607 -4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.444 9.794 -2.567 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.776 10.981 -3.693 1.00 0.00 H new ATOM 317 N MET A 24 -13.135 2.568 -3.285 1.00 0.00 N ATOM 318 CA MET A 24 -11.999 1.745 -3.684 1.00 0.00 C ATOM 319 C MET A 24 -10.725 2.580 -3.767 1.00 0.00 C ATOM 320 O MET A 24 -10.701 3.629 -4.410 1.00 0.00 O ATOM 321 CB MET A 24 -12.274 1.077 -5.033 1.00 0.00 C ATOM 322 CG MET A 24 -11.558 -0.251 -5.211 1.00 0.00 C ATOM 323 SD MET A 24 -12.153 -1.175 -6.640 1.00 0.00 S ATOM 324 CE MET A 24 -11.381 -2.767 -6.360 1.00 0.00 C ATOM 0 H MET A 24 -13.683 2.936 -4.062 1.00 0.00 H new ATOM 0 HA MET A 24 -11.858 0.973 -2.927 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.347 0.919 -5.139 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.971 1.753 -5.832 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.488 -0.071 -5.319 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.690 -0.854 -4.313 1.00 0.00 H new ATOM 0 HE1 MET A 24 -10.576 -2.913 -7.081 1.00 0.00 H new ATOM 0 HE2 MET A 24 -10.974 -2.801 -5.350 1.00 0.00 H new ATOM 0 HE3 MET A 24 -12.123 -3.557 -6.479 1.00 0.00 H new ATOM 334 N ALA A 25 -9.670 2.108 -3.112 1.00 0.00 N ATOM 335 CA ALA A 25 -8.393 2.810 -3.114 1.00 0.00 C ATOM 336 C ALA A 25 -7.263 1.894 -3.571 1.00 0.00 C ATOM 337 O ALA A 25 -7.411 0.673 -3.590 1.00 0.00 O ATOM 338 CB ALA A 25 -8.095 3.368 -1.730 1.00 0.00 C ATOM 0 H ALA A 25 -9.674 1.242 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.463 3.637 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.138 3.890 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.883 4.064 -1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.050 2.551 -1.010 1.00 0.00 H new ATOM 344 N GLU A 26 -6.134 2.493 -3.940 1.00 0.00 N ATOM 345 CA GLU A 26 -4.980 1.729 -4.400 1.00 0.00 C ATOM 346 C GLU A 26 -3.685 2.496 -4.149 1.00 0.00 C ATOM 347 O GLU A 26 -3.656 3.726 -4.214 1.00 0.00 O ATOM 348 CB GLU A 26 -5.114 1.406 -5.889 1.00 0.00 C ATOM 349 CG GLU A 26 -6.394 0.665 -6.239 1.00 0.00 C ATOM 350 CD GLU A 26 -7.598 1.584 -6.314 1.00 0.00 C ATOM 351 OE1 GLU A 26 -7.479 2.667 -6.923 1.00 0.00 O ATOM 352 OE2 GLU A 26 -8.658 1.220 -5.763 1.00 0.00 O ATOM 0 H GLU A 26 -5.994 3.503 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.945 0.797 -3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.075 2.335 -6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.260 0.805 -6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.267 0.160 -7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.578 -0.108 -5.493 1.00 0.00 H new ATOM 359 N LEU A 27 -2.616 1.762 -3.862 1.00 0.00 N ATOM 360 CA LEU A 27 -1.317 2.372 -3.601 1.00 0.00 C ATOM 361 C LEU A 27 -0.329 2.049 -4.717 1.00 0.00 C ATOM 362 O LEU A 27 0.085 0.901 -4.881 1.00 0.00 O ATOM 363 CB LEU A 27 -0.765 1.888 -2.259 1.00 0.00 C ATOM 364 CG LEU A 27 -1.216 2.671 -1.026 1.00 0.00 C ATOM 365 CD1 LEU A 27 -0.992 1.853 0.237 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.482 4.001 -0.939 1.00 0.00 C ATOM 0 H LEU A 27 -2.623 0.744 -3.804 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.452 3.453 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.051 0.844 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.324 1.917 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.283 2.874 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.319 2.426 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.564 0.927 0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.068 1.618 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.816 4.544 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.591 3.821 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.694 4.592 -1.830 1.00 0.00 H new ATOM 378 N LYS A 28 0.047 3.068 -5.481 1.00 0.00 N ATOM 379 CA LYS A 28 0.990 2.895 -6.580 1.00 0.00 C ATOM 380 C LYS A 28 2.339 2.402 -6.067 1.00 0.00 C ATOM 381 O LYS A 28 3.111 3.168 -5.489 1.00 0.00 O ATOM 382 CB LYS A 28 1.170 4.212 -7.338 1.00 0.00 C ATOM 383 CG LYS A 28 0.140 4.430 -8.433 1.00 0.00 C ATOM 384 CD LYS A 28 0.353 3.477 -9.597 1.00 0.00 C ATOM 385 CE LYS A 28 1.295 4.068 -10.635 1.00 0.00 C ATOM 386 NZ LYS A 28 0.629 5.120 -11.453 1.00 0.00 N ATOM 0 H LYS A 28 -0.287 4.024 -5.360 1.00 0.00 H new ATOM 0 HA LYS A 28 0.584 2.146 -7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.116 5.039 -6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.167 4.234 -7.779 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.861 4.290 -8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.198 5.459 -8.789 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.760 2.536 -9.228 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.606 3.249 -10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.165 4.493 -10.135 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.658 3.275 -11.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.218 5.341 -12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.300 4.776 -11.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.503 5.978 -10.879 1.00 0.00 H new ATOM 400 N CYS A 29 2.617 1.121 -6.284 1.00 0.00 N ATOM 401 CA CYS A 29 3.874 0.527 -5.843 1.00 0.00 C ATOM 402 C CYS A 29 4.352 -0.531 -6.833 1.00 0.00 C ATOM 403 O CYS A 29 3.622 -1.470 -7.152 1.00 0.00 O ATOM 404 CB CYS A 29 3.711 -0.092 -4.455 1.00 0.00 C ATOM 405 SG CYS A 29 4.984 -1.305 -4.033 1.00 0.00 S ATOM 0 H CYS A 29 1.989 0.474 -6.762 1.00 0.00 H new ATOM 0 HA CYS A 29 4.623 1.317 -5.794 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.722 0.704 -3.710 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.734 -0.571 -4.395 1.00 0.00 H new ATOM 0 HG CYS A 29 4.876 -1.629 -2.779 1.00 0.00 H new ATOM 411 N ARG A 30 5.580 -0.372 -7.315 1.00 0.00 N ATOM 412 CA ARG A 30 6.153 -1.312 -8.271 1.00 0.00 C ATOM 413 C ARG A 30 7.441 -1.923 -7.726 1.00 0.00 C ATOM 414 O ARG A 30 8.359 -1.207 -7.324 1.00 0.00 O ATOM 415 CB ARG A 30 6.431 -0.612 -9.603 1.00 0.00 C ATOM 416 CG ARG A 30 5.210 -0.510 -10.503 1.00 0.00 C ATOM 417 CD ARG A 30 4.298 0.630 -10.077 1.00 0.00 C ATOM 418 NE ARG A 30 2.941 0.466 -10.591 1.00 0.00 N ATOM 419 CZ ARG A 30 2.613 0.641 -11.867 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.539 0.982 -12.752 1.00 0.00 N ATOM 421 NH2 ARG A 30 1.356 0.473 -12.258 1.00 0.00 N ATOM 0 H ARG A 30 6.197 0.399 -7.059 1.00 0.00 H new ATOM 0 HA ARG A 30 5.431 -2.113 -8.433 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.811 0.390 -9.405 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.217 -1.152 -10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.528 -0.357 -11.534 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.657 -1.449 -10.476 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.269 0.684 -8.989 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.709 1.575 -10.432 1.00 0.00 H new ATOM 0 HE ARG A 30 2.205 0.203 -9.935 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.506 1.111 -12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.284 1.116 -13.731 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.642 0.210 -11.579 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.104 0.607 -13.237 1.00 0.00 H new ATOM 435 N THR A 31 7.502 -3.251 -7.716 1.00 0.00 N ATOM 436 CA THR A 31 8.675 -3.958 -7.220 1.00 0.00 C ATOM 437 C THR A 31 9.226 -4.915 -8.271 1.00 0.00 C ATOM 438 O THR A 31 8.491 -5.462 -9.093 1.00 0.00 O ATOM 439 CB THR A 31 8.353 -4.751 -5.939 1.00 0.00 C ATOM 440 OG1 THR A 31 7.440 -5.813 -6.236 1.00 0.00 O ATOM 441 CG2 THR A 31 7.754 -3.843 -4.876 1.00 0.00 C ATOM 0 H THR A 31 6.752 -3.858 -8.046 1.00 0.00 H new ATOM 0 HA THR A 31 9.426 -3.202 -6.992 1.00 0.00 H new ATOM 0 HB THR A 31 9.283 -5.169 -5.554 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.596 -6.560 -5.622 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.535 -4.426 -3.981 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.464 -3.053 -4.630 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.833 -3.399 -5.254 1.00 0.00 H new ATOM 449 N PRO A 32 10.551 -5.124 -8.246 1.00 0.00 N ATOM 450 CA PRO A 32 11.229 -6.016 -9.190 1.00 0.00 C ATOM 451 C PRO A 32 10.894 -7.483 -8.944 1.00 0.00 C ATOM 452 O PRO A 32 10.283 -7.845 -7.938 1.00 0.00 O ATOM 453 CB PRO A 32 12.713 -5.754 -8.923 1.00 0.00 C ATOM 454 CG PRO A 32 12.764 -5.269 -7.515 1.00 0.00 C ATOM 455 CD PRO A 32 11.488 -4.505 -7.294 1.00 0.00 C ATOM 0 HA PRO A 32 10.927 -5.825 -10.220 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.305 -6.661 -9.051 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.114 -5.011 -9.612 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.845 -6.103 -6.818 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.633 -4.632 -7.353 1.00 0.00 H new ATOM 0 HD2 PRO A 32 11.137 -4.598 -6.266 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.617 -3.441 -7.492 1.00 0.00 H new ATOM 463 N PRO A 33 11.304 -8.350 -9.882 1.00 0.00 N ATOM 464 CA PRO A 33 11.059 -9.793 -9.788 1.00 0.00 C ATOM 465 C PRO A 33 11.880 -10.449 -8.683 1.00 0.00 C ATOM 466 O PRO A 33 12.874 -9.890 -8.221 1.00 0.00 O ATOM 467 CB PRO A 33 11.492 -10.316 -11.159 1.00 0.00 C ATOM 468 CG PRO A 33 12.484 -9.319 -11.650 1.00 0.00 C ATOM 469 CD PRO A 33 12.037 -7.990 -11.107 1.00 0.00 C ATOM 0 HA PRO A 33 10.021 -10.015 -9.541 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.934 -11.309 -11.082 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.643 -10.397 -11.838 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.488 -9.564 -11.304 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.517 -9.305 -12.739 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.884 -7.339 -10.891 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.400 -7.460 -11.815 1.00 0.00 H new ATOM 477 N MET A 34 11.458 -11.638 -8.265 1.00 0.00 N ATOM 478 CA MET A 34 12.156 -12.371 -7.216 1.00 0.00 C ATOM 479 C MET A 34 12.299 -11.517 -5.959 1.00 0.00 C ATOM 480 O MET A 34 13.330 -11.551 -5.288 1.00 0.00 O ATOM 481 CB MET A 34 13.537 -12.813 -7.705 1.00 0.00 C ATOM 482 CG MET A 34 13.495 -13.621 -8.992 1.00 0.00 C ATOM 483 SD MET A 34 14.914 -14.719 -9.169 1.00 0.00 S ATOM 484 CE MET A 34 16.248 -13.530 -9.291 1.00 0.00 C ATOM 0 H MET A 34 10.636 -12.114 -8.637 1.00 0.00 H new ATOM 0 HA MET A 34 11.566 -13.254 -6.970 1.00 0.00 H new ATOM 0 HB2 MET A 34 14.158 -11.931 -7.859 1.00 0.00 H new ATOM 0 HB3 MET A 34 14.016 -13.408 -6.927 1.00 0.00 H new ATOM 0 HG2 MET A 34 12.579 -14.211 -9.016 1.00 0.00 H new ATOM 0 HG3 MET A 34 13.459 -12.940 -9.843 1.00 0.00 H new ATOM 0 HE1 MET A 34 17.189 -14.055 -9.458 1.00 0.00 H new ATOM 0 HE2 MET A 34 16.057 -12.853 -10.123 1.00 0.00 H new ATOM 0 HE3 MET A 34 16.311 -12.958 -8.365 1.00 0.00 H new ATOM 494 N SER A 35 11.257 -10.753 -5.647 1.00 0.00 N ATOM 495 CA SER A 35 11.269 -9.887 -4.474 1.00 0.00 C ATOM 496 C SER A 35 10.007 -10.088 -3.639 1.00 0.00 C ATOM 497 O SER A 35 8.969 -10.503 -4.153 1.00 0.00 O ATOM 498 CB SER A 35 11.387 -8.422 -4.896 1.00 0.00 C ATOM 499 OG SER A 35 12.515 -8.221 -5.730 1.00 0.00 O ATOM 0 H SER A 35 10.394 -10.716 -6.190 1.00 0.00 H new ATOM 0 HA SER A 35 12.134 -10.152 -3.865 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.482 -8.118 -5.423 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.468 -7.791 -4.011 1.00 0.00 H new ATOM 0 HG SER A 35 12.414 -8.748 -6.550 1.00 0.00 H new ATOM 505 N SER A 36 10.107 -9.789 -2.347 1.00 0.00 N ATOM 506 CA SER A 36 8.976 -9.940 -1.439 1.00 0.00 C ATOM 507 C SER A 36 8.246 -8.613 -1.256 1.00 0.00 C ATOM 508 O SER A 36 8.870 -7.569 -1.066 1.00 0.00 O ATOM 509 CB SER A 36 9.450 -10.465 -0.083 1.00 0.00 C ATOM 510 OG SER A 36 8.353 -10.729 0.774 1.00 0.00 O ATOM 0 H SER A 36 10.959 -9.441 -1.906 1.00 0.00 H new ATOM 0 HA SER A 36 8.284 -10.659 -1.877 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.032 -11.376 -0.225 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.111 -9.734 0.382 1.00 0.00 H new ATOM 0 HG SER A 36 8.683 -11.065 1.633 1.00 0.00 H new ATOM 516 N VAL A 37 6.919 -8.661 -1.316 1.00 0.00 N ATOM 517 CA VAL A 37 6.102 -7.464 -1.156 1.00 0.00 C ATOM 518 C VAL A 37 5.304 -7.513 0.142 1.00 0.00 C ATOM 519 O VAL A 37 4.527 -8.439 0.373 1.00 0.00 O ATOM 520 CB VAL A 37 5.129 -7.287 -2.337 1.00 0.00 C ATOM 521 CG1 VAL A 37 4.305 -6.020 -2.165 1.00 0.00 C ATOM 522 CG2 VAL A 37 5.889 -7.264 -3.654 1.00 0.00 C ATOM 0 H VAL A 37 6.387 -9.517 -1.474 1.00 0.00 H new ATOM 0 HA VAL A 37 6.786 -6.616 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 37 4.446 -8.136 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.624 -5.912 -3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.731 -6.082 -1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.969 -5.157 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.186 -7.138 -4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.597 -6.435 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.430 -8.202 -3.779 1.00 0.00 H new ATOM 532 N LYS A 38 5.501 -6.507 0.989 1.00 0.00 N ATOM 533 CA LYS A 38 4.800 -6.432 2.265 1.00 0.00 C ATOM 534 C LYS A 38 4.247 -5.030 2.500 1.00 0.00 C ATOM 535 O LYS A 38 4.738 -4.056 1.930 1.00 0.00 O ATOM 536 CB LYS A 38 5.738 -6.821 3.409 1.00 0.00 C ATOM 537 CG LYS A 38 5.724 -8.305 3.730 1.00 0.00 C ATOM 538 CD LYS A 38 6.280 -8.582 5.117 1.00 0.00 C ATOM 539 CE LYS A 38 5.761 -9.899 5.673 1.00 0.00 C ATOM 540 NZ LYS A 38 4.358 -9.782 6.158 1.00 0.00 N ATOM 0 H LYS A 38 6.141 -5.732 0.814 1.00 0.00 H new ATOM 0 HA LYS A 38 3.965 -7.132 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.754 -6.523 3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.459 -6.262 4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.704 -8.683 3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.312 -8.844 2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.369 -8.607 5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.006 -7.769 5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.815 -10.666 4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.402 -10.225 6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.871 -10.692 6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.359 -9.525 7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.863 -9.047 5.614 1.00 0.00 H new ATOM 554 N TRP A 39 3.225 -4.936 3.343 1.00 0.00 N ATOM 555 CA TRP A 39 2.607 -3.652 3.654 1.00 0.00 C ATOM 556 C TRP A 39 2.284 -3.550 5.141 1.00 0.00 C ATOM 557 O TRP A 39 1.345 -4.182 5.627 1.00 0.00 O ATOM 558 CB TRP A 39 1.334 -3.462 2.829 1.00 0.00 C ATOM 559 CG TRP A 39 1.602 -3.095 1.400 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.746 -3.952 0.347 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.759 -1.774 0.870 1.00 0.00 C ATOM 562 NE1 TRP A 39 1.983 -3.244 -0.806 1.00 0.00 N ATOM 563 CE2 TRP A 39 1.995 -1.906 -0.512 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.721 -0.493 1.428 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.194 -0.805 -1.342 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.919 0.598 0.603 1.00 0.00 C ATOM 567 CH2 TRP A 39 2.152 0.437 -0.769 1.00 0.00 C ATOM 0 H TRP A 39 2.807 -5.733 3.823 1.00 0.00 H new ATOM 0 HA TRP A 39 3.316 -2.864 3.400 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.751 -4.382 2.857 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.724 -2.684 3.288 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.683 -5.028 0.411 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.127 -3.649 -1.731 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.540 -0.358 2.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.375 -0.927 -2.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.894 1.592 1.024 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.301 1.310 -1.387 1.00 0.00 H new ATOM 578 N LEU A 40 3.066 -2.751 5.859 1.00 0.00 N ATOM 579 CA LEU A 40 2.862 -2.566 7.291 1.00 0.00 C ATOM 580 C LEU A 40 1.795 -1.509 7.557 1.00 0.00 C ATOM 581 O LEU A 40 1.845 -0.409 7.006 1.00 0.00 O ATOM 582 CB LEU A 40 4.175 -2.163 7.965 1.00 0.00 C ATOM 583 CG LEU A 40 4.258 -2.407 9.473 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.707 -2.556 9.910 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.583 -1.275 10.234 1.00 0.00 C ATOM 0 H LEU A 40 3.847 -2.221 5.473 1.00 0.00 H new ATOM 0 HA LEU A 40 2.521 -3.513 7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.989 -2.706 7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.345 -1.103 7.779 1.00 0.00 H new ATOM 0 HG LEU A 40 3.734 -3.335 9.702 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.747 -2.729 10.985 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.159 -3.400 9.390 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.255 -1.645 9.668 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.651 -1.465 11.305 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.079 -0.333 10.000 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.534 -1.215 9.942 1.00 0.00 H new ATOM 597 N LEU A 41 0.832 -1.849 8.407 1.00 0.00 N ATOM 598 CA LEU A 41 -0.247 -0.929 8.749 1.00 0.00 C ATOM 599 C LEU A 41 0.166 -0.006 9.891 1.00 0.00 C ATOM 600 O LEU A 41 1.001 -0.350 10.728 1.00 0.00 O ATOM 601 CB LEU A 41 -1.505 -1.708 9.136 1.00 0.00 C ATOM 602 CG LEU A 41 -2.025 -2.702 8.097 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.401 -1.982 6.811 1.00 0.00 C ATOM 604 CD2 LEU A 41 -0.987 -3.780 7.823 1.00 0.00 C ATOM 0 H LEU A 41 0.776 -2.755 8.872 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.462 -0.318 7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.302 -2.251 10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.298 -0.993 9.354 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.919 -3.181 8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.769 -2.705 6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.180 -1.248 7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.524 -1.476 6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.375 -4.478 7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.074 -3.319 7.445 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.767 -4.316 8.746 1.00 0.00 H new ATOM 616 N PRO A 42 -0.434 1.193 9.931 1.00 0.00 N ATOM 617 CA PRO A 42 -0.147 2.188 10.968 1.00 0.00 C ATOM 618 C PRO A 42 -0.675 1.769 12.336 1.00 0.00 C ATOM 619 O PRO A 42 -0.567 2.515 13.308 1.00 0.00 O ATOM 620 CB PRO A 42 -0.877 3.438 10.472 1.00 0.00 C ATOM 621 CG PRO A 42 -1.975 2.918 9.609 1.00 0.00 C ATOM 622 CD PRO A 42 -1.440 1.669 8.966 1.00 0.00 C ATOM 0 HA PRO A 42 0.924 2.332 11.110 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.270 4.023 11.303 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.208 4.091 9.911 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.866 2.702 10.199 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.261 3.653 8.856 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.226 0.930 8.807 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.996 1.877 7.992 1.00 0.00 H new ATOM 630 N ASN A 43 -1.247 0.571 12.403 1.00 0.00 N ATOM 631 CA ASN A 43 -1.793 0.054 13.652 1.00 0.00 C ATOM 632 C ASN A 43 -0.805 -0.894 14.326 1.00 0.00 C ATOM 633 O ASN A 43 -0.965 -1.247 15.493 1.00 0.00 O ATOM 634 CB ASN A 43 -3.116 -0.670 13.394 1.00 0.00 C ATOM 635 CG ASN A 43 -2.918 -2.137 13.067 1.00 0.00 C ATOM 636 OD1 ASN A 43 -2.555 -2.934 13.933 1.00 0.00 O ATOM 637 ND2 ASN A 43 -3.155 -2.501 11.812 1.00 0.00 N ATOM 0 H ASN A 43 -1.344 -0.059 11.607 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.972 0.898 14.318 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.754 -0.579 14.273 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.638 -0.184 12.570 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.038 -3.475 11.533 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.454 -1.807 11.127 1.00 0.00 H new ATOM 644 N GLY A 44 0.218 -1.301 13.581 1.00 0.00 N ATOM 645 CA GLY A 44 1.217 -2.204 14.123 1.00 0.00 C ATOM 646 C GLY A 44 1.258 -3.530 13.391 1.00 0.00 C ATOM 647 O GLY A 44 2.210 -4.298 13.534 1.00 0.00 O ATOM 0 H GLY A 44 0.373 -1.022 12.612 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.198 -1.731 14.067 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.008 -2.381 15.178 1.00 0.00 H new ATOM 651 N THR A 45 0.222 -3.803 12.604 1.00 0.00 N ATOM 652 CA THR A 45 0.142 -5.047 11.849 1.00 0.00 C ATOM 653 C THR A 45 0.825 -4.912 10.493 1.00 0.00 C ATOM 654 O THR A 45 1.348 -3.851 10.153 1.00 0.00 O ATOM 655 CB THR A 45 -1.321 -5.480 11.634 1.00 0.00 C ATOM 656 OG1 THR A 45 -2.127 -5.049 12.736 1.00 0.00 O ATOM 657 CG2 THR A 45 -1.421 -6.991 11.486 1.00 0.00 C ATOM 0 H THR A 45 -0.574 -3.179 12.473 1.00 0.00 H new ATOM 0 HA THR A 45 0.656 -5.808 12.437 1.00 0.00 H new ATOM 0 HB THR A 45 -1.683 -5.016 10.717 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.719 -4.261 13.151 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.463 -7.274 11.335 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.830 -7.312 10.628 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.042 -7.471 12.388 1.00 0.00 H new ATOM 665 N VAL A 46 0.816 -5.994 9.721 1.00 0.00 N ATOM 666 CA VAL A 46 1.433 -5.996 8.400 1.00 0.00 C ATOM 667 C VAL A 46 0.980 -7.200 7.583 1.00 0.00 C ATOM 668 O VAL A 46 1.073 -8.342 8.036 1.00 0.00 O ATOM 669 CB VAL A 46 2.970 -6.005 8.499 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.458 -7.311 9.109 1.00 0.00 C ATOM 671 CG2 VAL A 46 3.593 -5.782 7.129 1.00 0.00 C ATOM 0 H VAL A 46 0.388 -6.881 9.988 1.00 0.00 H new ATOM 0 HA VAL A 46 1.114 -5.081 7.900 1.00 0.00 H new ATOM 0 HB VAL A 46 3.280 -5.189 9.151 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.546 -7.299 9.171 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.039 -7.425 10.109 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.139 -8.146 8.485 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.679 -5.791 7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.277 -6.576 6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.269 -4.819 6.735 1.00 0.00 H new ATOM 681 N LEU A 47 0.489 -6.939 6.377 1.00 0.00 N ATOM 682 CA LEU A 47 0.021 -8.002 5.494 1.00 0.00 C ATOM 683 C LEU A 47 1.024 -8.261 4.374 1.00 0.00 C ATOM 684 O LEU A 47 2.061 -7.604 4.292 1.00 0.00 O ATOM 685 CB LEU A 47 -1.341 -7.637 4.901 1.00 0.00 C ATOM 686 CG LEU A 47 -2.477 -7.434 5.904 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.693 -6.831 5.218 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.839 -8.751 6.574 1.00 0.00 C ATOM 0 H LEU A 47 0.404 -6.000 5.988 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.079 -8.913 6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.228 -6.722 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.634 -8.423 4.205 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.137 -6.740 6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.491 -6.694 5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.426 -5.866 4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.034 -7.500 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.649 -8.587 7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.159 -9.468 5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.969 -9.143 7.100 1.00 0.00 H new ATOM 700 N SER A 48 0.705 -9.222 3.512 1.00 0.00 N ATOM 701 CA SER A 48 1.579 -9.569 2.397 1.00 0.00 C ATOM 702 C SER A 48 0.777 -10.168 1.245 1.00 0.00 C ATOM 703 O SER A 48 -0.452 -10.229 1.295 1.00 0.00 O ATOM 704 CB SER A 48 2.654 -10.556 2.853 1.00 0.00 C ATOM 705 OG SER A 48 3.582 -10.815 1.814 1.00 0.00 O ATOM 0 H SER A 48 -0.151 -9.774 3.564 1.00 0.00 H new ATOM 0 HA SER A 48 2.060 -8.656 2.046 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.177 -10.154 3.720 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.186 -11.489 3.168 1.00 0.00 H new ATOM 0 HG SER A 48 3.865 -9.968 1.410 1.00 0.00 H new ATOM 711 N HIS A 49 1.483 -10.608 0.208 1.00 0.00 N ATOM 712 CA HIS A 49 0.838 -11.204 -0.957 1.00 0.00 C ATOM 713 C HIS A 49 0.085 -12.473 -0.572 1.00 0.00 C ATOM 714 O HIS A 49 -0.842 -12.891 -1.265 1.00 0.00 O ATOM 715 CB HIS A 49 1.876 -11.519 -2.034 1.00 0.00 C ATOM 716 CG HIS A 49 1.275 -11.898 -3.353 1.00 0.00 C ATOM 717 ND1 HIS A 49 0.285 -11.162 -3.968 1.00 0.00 N ATOM 718 CD2 HIS A 49 1.530 -12.944 -4.174 1.00 0.00 C ATOM 719 CE1 HIS A 49 -0.044 -11.738 -5.110 1.00 0.00 C ATOM 720 NE2 HIS A 49 0.697 -12.821 -5.259 1.00 0.00 N ATOM 0 H HIS A 49 2.500 -10.563 0.151 1.00 0.00 H new ATOM 0 HA HIS A 49 0.121 -10.485 -1.353 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.518 -10.649 -2.173 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.512 -12.333 -1.687 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -0.129 -10.306 -3.599 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.253 -13.728 -4.007 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.792 -11.384 -5.804 1.00 0.00 H new ATOM 729 N ALA A 50 0.490 -13.083 0.537 1.00 0.00 N ATOM 730 CA ALA A 50 -0.147 -14.304 1.014 1.00 0.00 C ATOM 731 C ALA A 50 -1.480 -13.999 1.688 1.00 0.00 C ATOM 732 O ALA A 50 -2.507 -14.586 1.348 1.00 0.00 O ATOM 733 CB ALA A 50 0.776 -15.040 1.974 1.00 0.00 C ATOM 0 H ALA A 50 1.257 -12.751 1.122 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.342 -14.944 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.288 -15.950 2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.702 -15.299 1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.000 -14.399 2.827 1.00 0.00 H new ATOM 739 N SER A 51 -1.457 -13.079 2.647 1.00 0.00 N ATOM 740 CA SER A 51 -2.664 -12.700 3.372 1.00 0.00 C ATOM 741 C SER A 51 -3.882 -12.731 2.454 1.00 0.00 C ATOM 742 O SER A 51 -3.805 -12.341 1.289 1.00 0.00 O ATOM 743 CB SER A 51 -2.504 -11.304 3.978 1.00 0.00 C ATOM 744 OG SER A 51 -2.933 -10.303 3.072 1.00 0.00 O ATOM 0 H SER A 51 -0.616 -12.582 2.940 1.00 0.00 H new ATOM 0 HA SER A 51 -2.817 -13.422 4.175 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.081 -11.236 4.900 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.460 -11.136 4.242 1.00 0.00 H new ATOM 0 HG SER A 51 -2.232 -10.143 2.406 1.00 0.00 H new ATOM 750 N ARG A 52 -5.006 -13.199 2.988 1.00 0.00 N ATOM 751 CA ARG A 52 -6.241 -13.283 2.217 1.00 0.00 C ATOM 752 C ARG A 52 -7.166 -12.114 2.543 1.00 0.00 C ATOM 753 O ARG A 52 -8.306 -12.063 2.081 1.00 0.00 O ATOM 754 CB ARG A 52 -6.954 -14.607 2.500 1.00 0.00 C ATOM 755 CG ARG A 52 -7.917 -15.026 1.401 1.00 0.00 C ATOM 756 CD ARG A 52 -8.430 -16.441 1.621 1.00 0.00 C ATOM 757 NE ARG A 52 -9.035 -16.997 0.413 1.00 0.00 N ATOM 758 CZ ARG A 52 -9.897 -18.008 0.422 1.00 0.00 C ATOM 759 NH1 ARG A 52 -10.253 -18.570 1.569 1.00 0.00 N ATOM 760 NH2 ARG A 52 -10.404 -18.458 -0.718 1.00 0.00 N ATOM 0 H ARG A 52 -5.087 -13.526 3.951 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.984 -13.236 1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.208 -15.390 2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.502 -14.522 3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.758 -14.333 1.369 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.417 -14.965 0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.607 -17.080 1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.164 -16.439 2.427 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.782 -16.587 -0.486 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.865 -18.226 2.447 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.915 -19.346 1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.132 -18.028 -1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.066 -19.234 -0.711 1.00 0.00 H new ATOM 774 N HIS A 53 -6.667 -11.177 3.343 1.00 0.00 N ATOM 775 CA HIS A 53 -7.449 -10.008 3.732 1.00 0.00 C ATOM 776 C HIS A 53 -8.371 -9.571 2.598 1.00 0.00 C ATOM 777 O HIS A 53 -7.950 -9.398 1.454 1.00 0.00 O ATOM 778 CB HIS A 53 -6.523 -8.857 4.125 1.00 0.00 C ATOM 779 CG HIS A 53 -7.122 -7.923 5.131 1.00 0.00 C ATOM 780 ND1 HIS A 53 -8.133 -7.036 4.826 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.849 -7.743 6.444 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.454 -6.349 5.908 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.690 -6.759 6.904 1.00 0.00 N ATOM 0 H HIS A 53 -5.725 -11.204 3.734 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.062 -10.280 4.591 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.598 -9.268 4.529 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.258 -8.293 3.231 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.108 -8.274 7.023 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.212 -5.582 5.968 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.720 -6.403 7.859 1.00 0.00 H new ATOM 792 N PRO A 54 -9.660 -9.388 2.920 1.00 0.00 N ATOM 793 CA PRO A 54 -10.669 -8.968 1.942 1.00 0.00 C ATOM 794 C PRO A 54 -10.475 -7.524 1.493 1.00 0.00 C ATOM 795 O PRO A 54 -10.420 -7.239 0.296 1.00 0.00 O ATOM 796 CB PRO A 54 -11.987 -9.118 2.706 1.00 0.00 C ATOM 797 CG PRO A 54 -11.610 -8.986 4.141 1.00 0.00 C ATOM 798 CD PRO A 54 -10.232 -9.576 4.264 1.00 0.00 C ATOM 0 HA PRO A 54 -10.621 -9.559 1.027 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.704 -8.351 2.413 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.453 -10.083 2.506 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.616 -7.941 4.451 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.318 -9.513 4.780 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.643 -9.066 5.026 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.269 -10.629 4.541 1.00 0.00 H new ATOM 806 N ARG A 55 -10.371 -6.617 2.459 1.00 0.00 N ATOM 807 CA ARG A 55 -10.184 -5.203 2.161 1.00 0.00 C ATOM 808 C ARG A 55 -8.798 -4.949 1.575 1.00 0.00 C ATOM 809 O ARG A 55 -8.663 -4.621 0.396 1.00 0.00 O ATOM 810 CB ARG A 55 -10.376 -4.364 3.426 1.00 0.00 C ATOM 811 CG ARG A 55 -11.808 -3.901 3.639 1.00 0.00 C ATOM 812 CD ARG A 55 -11.953 -3.111 4.930 1.00 0.00 C ATOM 813 NE ARG A 55 -11.213 -1.853 4.887 1.00 0.00 N ATOM 814 CZ ARG A 55 -9.930 -1.743 5.213 1.00 0.00 C ATOM 815 NH1 ARG A 55 -9.248 -2.812 5.603 1.00 0.00 N ATOM 816 NH2 ARG A 55 -9.326 -0.564 5.149 1.00 0.00 N ATOM 0 H ARG A 55 -10.413 -6.837 3.454 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.931 -4.911 1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.060 -4.948 4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.725 -3.491 3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.121 -3.284 2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.471 -4.766 3.664 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.008 -2.905 5.113 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.596 -3.713 5.766 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.709 -1.012 4.590 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.709 -3.721 5.653 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.263 -2.725 5.853 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.847 0.260 4.849 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.341 -0.481 5.400 1.00 0.00 H new ATOM 830 N ILE A 56 -7.773 -5.102 2.407 1.00 0.00 N ATOM 831 CA ILE A 56 -6.399 -4.890 1.971 1.00 0.00 C ATOM 832 C ILE A 56 -5.915 -6.042 1.096 1.00 0.00 C ATOM 833 O ILE A 56 -5.475 -7.075 1.600 1.00 0.00 O ATOM 834 CB ILE A 56 -5.445 -4.736 3.170 1.00 0.00 C ATOM 835 CG1 ILE A 56 -5.994 -3.704 4.157 1.00 0.00 C ATOM 836 CG2 ILE A 56 -4.056 -4.336 2.695 1.00 0.00 C ATOM 837 CD1 ILE A 56 -5.199 -3.613 5.441 1.00 0.00 C ATOM 0 H ILE A 56 -7.868 -5.372 3.386 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.392 -3.968 1.390 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.370 -5.696 3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.007 -2.725 3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.027 -3.956 4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.394 -4.231 3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.665 -5.103 2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.113 -3.386 2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.645 -2.862 6.093 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.207 -4.580 5.943 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.171 -3.331 5.213 1.00 0.00 H new ATOM 849 N SER A 57 -5.999 -5.856 -0.217 1.00 0.00 N ATOM 850 CA SER A 57 -5.573 -6.880 -1.163 1.00 0.00 C ATOM 851 C SER A 57 -4.237 -6.508 -1.801 1.00 0.00 C ATOM 852 O SER A 57 -4.124 -5.489 -2.483 1.00 0.00 O ATOM 853 CB SER A 57 -6.633 -7.075 -2.249 1.00 0.00 C ATOM 854 OG SER A 57 -7.660 -7.946 -1.808 1.00 0.00 O ATOM 0 H SER A 57 -6.358 -5.005 -0.650 1.00 0.00 H new ATOM 0 HA SER A 57 -5.448 -7.815 -0.616 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.062 -6.110 -2.521 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.168 -7.481 -3.147 1.00 0.00 H new ATOM 0 HG SER A 57 -8.326 -8.053 -2.519 1.00 0.00 H new ATOM 860 N VAL A 58 -3.228 -7.342 -1.576 1.00 0.00 N ATOM 861 CA VAL A 58 -1.900 -7.103 -2.128 1.00 0.00 C ATOM 862 C VAL A 58 -1.767 -7.710 -3.521 1.00 0.00 C ATOM 863 O VAL A 58 -1.301 -8.839 -3.676 1.00 0.00 O ATOM 864 CB VAL A 58 -0.801 -7.685 -1.220 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.569 -7.501 -1.854 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.851 -7.039 0.157 1.00 0.00 C ATOM 0 H VAL A 58 -3.305 -8.190 -1.015 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.774 -6.022 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.980 -8.754 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.333 -7.918 -1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.597 -8.014 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.761 -6.439 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.068 -7.462 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.698 -5.964 0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.823 -7.228 0.612 1.00 0.00 H new ATOM 876 N LEU A 59 -2.179 -6.953 -4.531 1.00 0.00 N ATOM 877 CA LEU A 59 -2.105 -7.415 -5.913 1.00 0.00 C ATOM 878 C LEU A 59 -0.724 -7.982 -6.225 1.00 0.00 C ATOM 879 O LEU A 59 0.283 -7.518 -5.691 1.00 0.00 O ATOM 880 CB LEU A 59 -2.427 -6.269 -6.873 1.00 0.00 C ATOM 881 CG LEU A 59 -3.891 -5.830 -6.927 1.00 0.00 C ATOM 882 CD1 LEU A 59 -4.337 -5.289 -5.577 1.00 0.00 C ATOM 883 CD2 LEU A 59 -4.095 -4.786 -8.016 1.00 0.00 C ATOM 0 H LEU A 59 -2.568 -6.017 -4.420 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.841 -8.208 -6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.820 -5.407 -6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.120 -6.565 -7.876 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.502 -6.700 -7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.381 -4.982 -5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.229 -6.066 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.721 -4.431 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.142 -4.485 -8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.472 -3.916 -7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.817 -5.208 -8.982 1.00 0.00 H new ATOM 895 N ASN A 60 -0.684 -8.985 -7.095 1.00 0.00 N ATOM 896 CA ASN A 60 0.574 -9.614 -7.480 1.00 0.00 C ATOM 897 C ASN A 60 1.602 -8.565 -7.896 1.00 0.00 C ATOM 898 O ASN A 60 2.738 -8.572 -7.421 1.00 0.00 O ATOM 899 CB ASN A 60 0.346 -10.603 -8.625 1.00 0.00 C ATOM 900 CG ASN A 60 -0.806 -11.550 -8.349 1.00 0.00 C ATOM 901 OD1 ASN A 60 -1.959 -11.131 -8.250 1.00 0.00 O ATOM 902 ND2 ASN A 60 -0.497 -12.835 -8.224 1.00 0.00 N ATOM 0 H ASN A 60 -1.509 -9.380 -7.547 1.00 0.00 H new ATOM 0 HA ASN A 60 0.960 -10.153 -6.615 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.147 -10.051 -9.544 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.256 -11.180 -8.790 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.230 -13.520 -8.038 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.473 -13.137 -8.314 1.00 0.00 H new ATOM 909 N ASP A 61 1.194 -7.666 -8.785 1.00 0.00 N ATOM 910 CA ASP A 61 2.078 -6.610 -9.264 1.00 0.00 C ATOM 911 C ASP A 61 2.732 -5.878 -8.097 1.00 0.00 C ATOM 912 O ASP A 61 3.799 -5.283 -8.244 1.00 0.00 O ATOM 913 CB ASP A 61 1.299 -5.619 -10.132 1.00 0.00 C ATOM 914 CG ASP A 61 1.018 -6.161 -11.519 1.00 0.00 C ATOM 915 OD1 ASP A 61 0.730 -7.371 -11.637 1.00 0.00 O ATOM 916 OD2 ASP A 61 1.085 -5.376 -12.487 1.00 0.00 O ATOM 0 H ASP A 61 0.257 -7.647 -9.188 1.00 0.00 H new ATOM 0 HA ASP A 61 2.862 -7.071 -9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.356 -5.375 -9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.864 -4.691 -10.215 1.00 0.00 H new ATOM 921 N GLY A 62 2.085 -5.926 -6.937 1.00 0.00 N ATOM 922 CA GLY A 62 2.618 -5.262 -5.761 1.00 0.00 C ATOM 923 C GLY A 62 1.817 -4.035 -5.375 1.00 0.00 C ATOM 924 O GLY A 62 2.357 -3.084 -4.809 1.00 0.00 O ATOM 0 H GLY A 62 1.201 -6.413 -6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.629 -5.962 -4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.652 -4.973 -5.948 1.00 0.00 H new ATOM 928 N THR A 63 0.524 -4.053 -5.682 1.00 0.00 N ATOM 929 CA THR A 63 -0.353 -2.932 -5.366 1.00 0.00 C ATOM 930 C THR A 63 -1.279 -3.270 -4.204 1.00 0.00 C ATOM 931 O THR A 63 -1.714 -4.412 -4.055 1.00 0.00 O ATOM 932 CB THR A 63 -1.203 -2.523 -6.584 1.00 0.00 C ATOM 933 OG1 THR A 63 -0.353 -2.090 -7.651 1.00 0.00 O ATOM 934 CG2 THR A 63 -2.173 -1.410 -6.217 1.00 0.00 C ATOM 0 H THR A 63 0.060 -4.832 -6.149 1.00 0.00 H new ATOM 0 HA THR A 63 0.289 -2.097 -5.084 1.00 0.00 H new ATOM 0 HB THR A 63 -1.777 -3.391 -6.908 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.901 -1.833 -8.422 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.762 -1.138 -7.093 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.838 -1.753 -5.424 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.615 -0.540 -5.871 1.00 0.00 H new ATOM 942 N LEU A 64 -1.579 -2.270 -3.382 1.00 0.00 N ATOM 943 CA LEU A 64 -2.456 -2.460 -2.232 1.00 0.00 C ATOM 944 C LEU A 64 -3.842 -1.884 -2.503 1.00 0.00 C ATOM 945 O LEU A 64 -4.051 -0.675 -2.409 1.00 0.00 O ATOM 946 CB LEU A 64 -1.851 -1.803 -0.990 1.00 0.00 C ATOM 947 CG LEU A 64 -2.288 -2.382 0.356 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.869 -3.839 0.472 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.709 -1.565 1.501 1.00 0.00 C ATOM 0 H LEU A 64 -1.227 -1.319 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.557 -3.531 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.765 -1.874 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.103 -0.743 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.375 -2.333 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.189 -4.234 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.333 -4.416 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.785 -3.913 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.030 -1.991 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.621 -1.581 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.061 -0.536 1.428 1.00 0.00 H new ATOM 961 N ASN A 65 -4.786 -2.758 -2.836 1.00 0.00 N ATOM 962 CA ASN A 65 -6.153 -2.336 -3.119 1.00 0.00 C ATOM 963 C ASN A 65 -7.020 -2.429 -1.867 1.00 0.00 C ATOM 964 O ASN A 65 -6.921 -3.387 -1.099 1.00 0.00 O ATOM 965 CB ASN A 65 -6.753 -3.194 -4.234 1.00 0.00 C ATOM 966 CG ASN A 65 -8.159 -2.761 -4.603 1.00 0.00 C ATOM 967 OD1 ASN A 65 -9.086 -2.875 -3.801 1.00 0.00 O ATOM 968 ND2 ASN A 65 -8.324 -2.261 -5.822 1.00 0.00 N ATOM 0 H ASN A 65 -4.630 -3.763 -2.917 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.127 -1.296 -3.445 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.115 -3.137 -5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.768 -4.237 -3.918 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.248 -1.953 -6.126 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.527 -2.185 -6.454 1.00 0.00 H new ATOM 975 N PHE A 66 -7.872 -1.429 -1.668 1.00 0.00 N ATOM 976 CA PHE A 66 -8.757 -1.397 -0.510 1.00 0.00 C ATOM 977 C PHE A 66 -10.219 -1.331 -0.944 1.00 0.00 C ATOM 978 O PHE A 66 -10.754 -0.251 -1.194 1.00 0.00 O ATOM 979 CB PHE A 66 -8.423 -0.200 0.382 1.00 0.00 C ATOM 980 CG PHE A 66 -7.066 -0.287 1.020 1.00 0.00 C ATOM 981 CD1 PHE A 66 -5.918 -0.250 0.245 1.00 0.00 C ATOM 982 CD2 PHE A 66 -6.939 -0.408 2.394 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.668 -0.330 0.829 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.691 -0.488 2.984 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.554 -0.450 2.200 1.00 0.00 C ATOM 0 H PHE A 66 -7.968 -0.630 -2.294 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.606 -2.316 0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.478 0.712 -0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.178 -0.118 1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.001 -0.158 -0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.825 -0.440 3.011 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.781 -0.299 0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.605 -0.580 4.057 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.578 -0.514 2.658 1.00 0.00 H new ATOM 995 N SER A 67 -10.857 -2.493 -1.032 1.00 0.00 N ATOM 996 CA SER A 67 -12.255 -2.568 -1.440 1.00 0.00 C ATOM 997 C SER A 67 -13.046 -1.385 -0.889 1.00 0.00 C ATOM 998 O SER A 67 -13.788 -0.725 -1.619 1.00 0.00 O ATOM 999 CB SER A 67 -12.879 -3.880 -0.960 1.00 0.00 C ATOM 1000 OG SER A 67 -12.481 -4.964 -1.782 1.00 0.00 O ATOM 0 H SER A 67 -10.429 -3.396 -0.826 1.00 0.00 H new ATOM 0 HA SER A 67 -12.292 -2.533 -2.529 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.581 -4.072 0.071 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.966 -3.794 -0.967 1.00 0.00 H new ATOM 0 HG SER A 67 -12.891 -5.791 -1.454 1.00 0.00 H new ATOM 1006 N HIS A 68 -12.883 -1.122 0.403 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.580 -0.018 1.053 1.00 0.00 C ATOM 1008 C HIS A 68 -12.815 0.459 2.284 1.00 0.00 C ATOM 1009 O HIS A 68 -12.799 -0.213 3.316 1.00 0.00 O ATOM 1010 CB HIS A 68 -14.994 -0.443 1.450 1.00 0.00 C ATOM 1011 CG HIS A 68 -15.035 -1.350 2.641 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -15.210 -1.077 3.955 1.00 0.00 N flip ATOM 1013 CD2 HIS A 68 -14.883 -2.717 2.552 1.00 0.00 C flip ATOM 1014 CE1 HIS A 68 -15.163 -2.273 4.629 1.00 0.00 C flip ATOM 1015 NE2 HIS A 68 -14.964 -3.247 3.760 1.00 0.00 N flip ATOM 0 H HIS A 68 -12.274 -1.658 1.021 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.642 0.807 0.344 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.586 0.447 1.661 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.464 -0.945 0.605 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.723 -3.269 1.638 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.271 -2.397 5.696 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -14.886 -4.239 3.983 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.182 1.621 2.168 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.415 2.188 3.271 1.00 0.00 C ATOM 1026 C VAL A 69 -12.330 2.867 4.284 1.00 0.00 C ATOM 1027 O VAL A 69 -13.363 3.433 3.923 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.377 3.208 2.768 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.486 2.584 1.705 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.070 4.452 2.232 1.00 0.00 C ATOM 0 H VAL A 69 -12.185 2.189 1.321 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.895 1.360 3.753 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.747 3.503 3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.759 3.320 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.962 1.726 2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.097 2.258 0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.322 5.162 1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.725 4.176 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -11.661 4.910 3.025 1.00 0.00 H new ATOM 1040 N LEU A 70 -11.944 2.808 5.554 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.729 3.419 6.621 1.00 0.00 C ATOM 1042 C LEU A 70 -12.001 4.621 7.214 1.00 0.00 C ATOM 1043 O LEU A 70 -10.834 4.868 6.905 1.00 0.00 O ATOM 1044 CB LEU A 70 -13.021 2.393 7.718 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.842 1.174 7.296 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -13.152 0.432 6.162 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -14.070 0.248 8.481 1.00 0.00 C ATOM 0 H LEU A 70 -11.093 2.343 5.870 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.671 3.763 6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.071 2.044 8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.547 2.897 8.529 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.812 1.520 6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.751 -0.432 5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.042 1.097 5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.168 0.098 6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.656 -0.614 8.162 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.109 -0.090 8.869 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.609 0.783 9.263 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.695 5.364 8.069 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.113 6.539 8.708 1.00 0.00 C ATOM 1061 C LEU A 71 -10.969 6.144 9.637 1.00 0.00 C ATOM 1062 O LEU A 71 -9.864 6.678 9.538 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.183 7.299 9.494 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.238 8.026 8.659 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.394 8.480 9.538 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -13.620 9.212 7.934 1.00 0.00 C ATOM 0 H LEU A 71 -13.661 5.174 8.336 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.715 7.187 7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.691 6.594 10.152 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.686 8.030 10.132 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.626 7.332 7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.135 8.995 8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.854 7.612 10.011 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.022 9.158 10.306 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.385 9.717 7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.205 9.908 8.663 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.826 8.862 7.274 1.00 0.00 H new ATOM 1078 N SER A 72 -11.241 5.205 10.536 1.00 0.00 N ATOM 1079 CA SER A 72 -10.235 4.739 11.484 1.00 0.00 C ATOM 1080 C SER A 72 -8.960 4.320 10.759 1.00 0.00 C ATOM 1081 O SER A 72 -7.857 4.458 11.290 1.00 0.00 O ATOM 1082 CB SER A 72 -10.779 3.567 12.303 1.00 0.00 C ATOM 1083 OG SER A 72 -10.102 3.453 13.542 1.00 0.00 O ATOM 0 H SER A 72 -12.150 4.751 10.629 1.00 0.00 H new ATOM 0 HA SER A 72 -9.996 5.562 12.157 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.846 3.707 12.479 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.668 2.642 11.738 1.00 0.00 H new ATOM 0 HG SER A 72 -10.469 2.698 14.047 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.119 3.807 9.544 1.00 0.00 N ATOM 1090 CA ASP A 73 -7.981 3.367 8.745 1.00 0.00 C ATOM 1091 C ASP A 73 -7.019 4.523 8.487 1.00 0.00 C ATOM 1092 O ASP A 73 -5.827 4.315 8.260 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.460 2.780 7.416 1.00 0.00 C ATOM 1094 CG ASP A 73 -9.230 1.487 7.599 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -8.967 0.775 8.591 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -10.095 1.187 6.751 1.00 0.00 O ATOM 0 H ASP A 73 -10.025 3.686 9.091 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.452 2.595 9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.093 3.508 6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.600 2.599 6.771 1.00 0.00 H new ATOM 1101 N THR A 74 -7.546 5.744 8.523 1.00 0.00 N ATOM 1102 CA THR A 74 -6.735 6.933 8.291 1.00 0.00 C ATOM 1103 C THR A 74 -5.397 6.836 9.014 1.00 0.00 C ATOM 1104 O THR A 74 -5.349 6.689 10.235 1.00 0.00 O ATOM 1105 CB THR A 74 -7.465 8.208 8.753 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.666 8.388 7.995 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.571 9.430 8.596 1.00 0.00 C ATOM 0 H THR A 74 -8.530 5.935 8.711 1.00 0.00 H new ATOM 0 HA THR A 74 -6.560 6.992 7.217 1.00 0.00 H new ATOM 0 HB THR A 74 -7.716 8.094 9.807 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.433 8.077 8.519 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.108 10.319 8.928 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.672 9.303 9.198 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.293 9.545 7.548 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.310 6.919 8.253 1.00 0.00 N ATOM 1116 CA GLY A 75 -2.985 6.839 8.839 1.00 0.00 C ATOM 1117 C GLY A 75 -1.891 6.774 7.793 1.00 0.00 C ATOM 1118 O GLY A 75 -2.064 7.253 6.672 1.00 0.00 O ATOM 0 H GLY A 75 -4.324 7.040 7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.821 7.707 9.478 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.926 5.957 9.477 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.759 6.181 8.158 1.00 0.00 N ATOM 1123 CA VAL A 76 0.369 6.055 7.243 1.00 0.00 C ATOM 1124 C VAL A 76 0.702 4.591 6.979 1.00 0.00 C ATOM 1125 O VAL A 76 0.814 3.792 7.909 1.00 0.00 O ATOM 1126 CB VAL A 76 1.620 6.764 7.793 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.868 6.285 7.068 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.472 8.274 7.676 1.00 0.00 C ATOM 0 H VAL A 76 -0.599 5.780 9.082 1.00 0.00 H new ATOM 0 HA VAL A 76 0.073 6.531 6.308 1.00 0.00 H new ATOM 0 HB VAL A 76 1.723 6.513 8.849 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.742 6.797 7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.981 5.210 7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.777 6.504 6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.365 8.759 8.070 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.343 8.547 6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.602 8.600 8.246 1.00 0.00 H new ATOM 1138 N TYR A 77 0.860 4.246 5.706 1.00 0.00 N ATOM 1139 CA TYR A 77 1.179 2.877 5.319 1.00 0.00 C ATOM 1140 C TYR A 77 2.612 2.776 4.806 1.00 0.00 C ATOM 1141 O TYR A 77 3.068 3.616 4.029 1.00 0.00 O ATOM 1142 CB TYR A 77 0.205 2.388 4.246 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.222 2.273 4.730 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -1.974 3.406 5.015 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.820 1.030 4.902 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.278 3.305 5.459 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -3.124 0.920 5.344 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.849 2.060 5.622 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.148 1.955 6.062 1.00 0.00 O ATOM 0 H TYR A 77 0.772 4.896 4.925 1.00 0.00 H new ATOM 0 HA TYR A 77 1.083 2.245 6.202 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.238 3.072 3.398 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.536 1.415 3.883 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.531 4.383 4.887 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.255 0.135 4.686 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.848 4.196 5.677 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.574 -0.054 5.471 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.331 2.663 6.714 1.00 0.00 H new ATOM 1159 N THR A 78 3.319 1.739 5.246 1.00 0.00 N ATOM 1160 CA THR A 78 4.701 1.527 4.833 1.00 0.00 C ATOM 1161 C THR A 78 4.835 0.262 3.992 1.00 0.00 C ATOM 1162 O THR A 78 4.403 -0.816 4.403 1.00 0.00 O ATOM 1163 CB THR A 78 5.641 1.424 6.048 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.378 2.494 6.963 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.097 1.470 5.611 1.00 0.00 C ATOM 0 H THR A 78 2.957 1.034 5.888 1.00 0.00 H new ATOM 0 HA THR A 78 4.988 2.391 4.234 1.00 0.00 H new ATOM 0 HB THR A 78 5.457 0.470 6.542 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.979 2.420 7.734 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.742 1.396 6.486 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.301 0.637 4.938 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.292 2.410 5.095 1.00 0.00 H new ATOM 1173 N CYS A 79 5.435 0.400 2.816 1.00 0.00 N ATOM 1174 CA CYS A 79 5.626 -0.733 1.917 1.00 0.00 C ATOM 1175 C CYS A 79 7.067 -1.230 1.967 1.00 0.00 C ATOM 1176 O CYS A 79 8.003 -0.477 1.700 1.00 0.00 O ATOM 1177 CB CYS A 79 5.257 -0.343 0.485 1.00 0.00 C ATOM 1178 SG CYS A 79 5.473 -1.672 -0.721 1.00 0.00 S ATOM 0 H CYS A 79 5.798 1.285 2.462 1.00 0.00 H new ATOM 0 HA CYS A 79 4.971 -1.540 2.246 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.218 -0.015 0.466 1.00 0.00 H new ATOM 0 HB3 CYS A 79 5.866 0.509 0.184 1.00 0.00 H new ATOM 0 HG CYS A 79 4.308 -2.118 -1.089 1.00 0.00 H new ATOM 1184 N MET A 80 7.237 -2.502 2.312 1.00 0.00 N ATOM 1185 CA MET A 80 8.565 -3.099 2.397 1.00 0.00 C ATOM 1186 C MET A 80 8.936 -3.789 1.088 1.00 0.00 C ATOM 1187 O MET A 80 8.077 -4.342 0.401 1.00 0.00 O ATOM 1188 CB MET A 80 8.623 -4.103 3.550 1.00 0.00 C ATOM 1189 CG MET A 80 7.985 -3.593 4.832 1.00 0.00 C ATOM 1190 SD MET A 80 8.212 -4.724 6.218 1.00 0.00 S ATOM 1191 CE MET A 80 6.669 -4.495 7.098 1.00 0.00 C ATOM 0 H MET A 80 6.473 -3.139 2.537 1.00 0.00 H new ATOM 0 HA MET A 80 9.284 -2.301 2.583 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.123 -5.023 3.246 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.664 -4.357 3.748 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.413 -2.623 5.086 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.919 -3.437 4.666 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.579 -5.251 7.878 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.652 -3.503 7.550 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.836 -4.591 6.402 1.00 0.00 H new ATOM 1201 N VAL A 81 10.221 -3.752 0.748 1.00 0.00 N ATOM 1202 CA VAL A 81 10.705 -4.374 -0.479 1.00 0.00 C ATOM 1203 C VAL A 81 12.023 -5.102 -0.242 1.00 0.00 C ATOM 1204 O VAL A 81 12.998 -4.511 0.224 1.00 0.00 O ATOM 1205 CB VAL A 81 10.900 -3.333 -1.597 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.179 -4.021 -2.925 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.681 -2.429 -1.701 1.00 0.00 C ATOM 0 H VAL A 81 10.945 -3.298 1.305 1.00 0.00 H new ATOM 0 HA VAL A 81 9.947 -5.092 -0.790 1.00 0.00 H new ATOM 0 HB VAL A 81 11.762 -2.715 -1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.314 -3.269 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.084 -4.622 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.339 -4.665 -3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.836 -1.699 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.800 -3.030 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.532 -1.909 -0.755 1.00 0.00 H new ATOM 1217 N THR A 82 12.048 -6.391 -0.566 1.00 0.00 N ATOM 1218 CA THR A 82 13.246 -7.202 -0.389 1.00 0.00 C ATOM 1219 C THR A 82 13.627 -7.910 -1.683 1.00 0.00 C ATOM 1220 O THR A 82 12.801 -8.580 -2.302 1.00 0.00 O ATOM 1221 CB THR A 82 13.054 -8.252 0.721 1.00 0.00 C ATOM 1222 OG1 THR A 82 12.464 -7.644 1.875 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.383 -8.888 1.100 1.00 0.00 C ATOM 0 H THR A 82 11.251 -6.896 -0.953 1.00 0.00 H new ATOM 0 HA THR A 82 14.048 -6.522 -0.101 1.00 0.00 H new ATOM 0 HB THR A 82 12.391 -9.030 0.343 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.344 -8.319 2.575 1.00 0.00 H new ATOM 0 HG21 THR A 82 14.222 -9.626 1.886 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.815 -9.376 0.226 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.065 -8.118 1.460 1.00 0.00 H new ATOM 1231 N ASN A 83 14.884 -7.758 -2.087 1.00 0.00 N ATOM 1232 CA ASN A 83 15.375 -8.384 -3.310 1.00 0.00 C ATOM 1233 C ASN A 83 16.791 -8.919 -3.116 1.00 0.00 C ATOM 1234 O ASN A 83 17.559 -8.396 -2.308 1.00 0.00 O ATOM 1235 CB ASN A 83 15.350 -7.383 -4.466 1.00 0.00 C ATOM 1236 CG ASN A 83 16.055 -7.909 -5.702 1.00 0.00 C ATOM 1237 OD1 ASN A 83 16.965 -7.271 -6.230 1.00 0.00 O ATOM 1238 ND2 ASN A 83 15.635 -9.079 -6.169 1.00 0.00 N ATOM 0 H ASN A 83 15.581 -7.207 -1.586 1.00 0.00 H new ATOM 0 HA ASN A 83 14.719 -9.221 -3.549 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.316 -7.145 -4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 83 15.823 -6.454 -4.149 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.071 -9.483 -6.998 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.877 -9.573 -5.699 1.00 0.00 H new ATOM 1245 N VAL A 84 17.130 -9.965 -3.863 1.00 0.00 N ATOM 1246 CA VAL A 84 18.453 -10.571 -3.776 1.00 0.00 C ATOM 1247 C VAL A 84 19.546 -9.509 -3.808 1.00 0.00 C ATOM 1248 O VAL A 84 20.593 -9.662 -3.179 1.00 0.00 O ATOM 1249 CB VAL A 84 18.690 -11.571 -4.923 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.509 -10.889 -6.271 1.00 0.00 C ATOM 1251 CG2 VAL A 84 20.075 -12.191 -4.812 1.00 0.00 C ATOM 0 H VAL A 84 16.506 -10.410 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 84 18.495 -11.104 -2.826 1.00 0.00 H new ATOM 0 HB VAL A 84 17.952 -12.370 -4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.680 -11.611 -7.070 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.495 -10.497 -6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.222 -10.070 -6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.225 -12.895 -5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.830 -11.407 -4.865 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.163 -12.716 -3.861 1.00 0.00 H new ATOM 1261 N ALA A 85 19.296 -8.432 -4.545 1.00 0.00 N ATOM 1262 CA ALA A 85 20.258 -7.342 -4.657 1.00 0.00 C ATOM 1263 C ALA A 85 20.339 -6.545 -3.359 1.00 0.00 C ATOM 1264 O ALA A 85 21.422 -6.334 -2.816 1.00 0.00 O ATOM 1265 CB ALA A 85 19.888 -6.429 -5.817 1.00 0.00 C ATOM 0 H ALA A 85 18.435 -8.291 -5.074 1.00 0.00 H new ATOM 0 HA ALA A 85 21.240 -7.775 -4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.615 -5.620 -5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.889 -7.001 -6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.895 -6.011 -5.649 1.00 0.00 H new ATOM 1271 N GLY A 86 19.185 -6.104 -2.868 1.00 0.00 N ATOM 1272 CA GLY A 86 19.148 -5.335 -1.638 1.00 0.00 C ATOM 1273 C GLY A 86 17.747 -5.215 -1.071 1.00 0.00 C ATOM 1274 O GLY A 86 16.889 -6.055 -1.337 1.00 0.00 O ATOM 0 H GLY A 86 18.275 -6.266 -3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.797 -5.806 -0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.548 -4.338 -1.824 1.00 0.00 H new ATOM 1278 N ASN A 87 17.516 -4.169 -0.284 1.00 0.00 N ATOM 1279 CA ASN A 87 16.210 -3.944 0.325 1.00 0.00 C ATOM 1280 C ASN A 87 15.812 -2.474 0.231 1.00 0.00 C ATOM 1281 O ASN A 87 16.657 -1.604 0.022 1.00 0.00 O ATOM 1282 CB ASN A 87 16.224 -4.388 1.789 1.00 0.00 C ATOM 1283 CG ASN A 87 16.315 -5.895 1.935 1.00 0.00 C ATOM 1284 OD1 ASN A 87 16.802 -6.588 1.042 1.00 0.00 O ATOM 1285 ND2 ASN A 87 15.844 -6.409 3.066 1.00 0.00 N ATOM 0 H ASN A 87 18.216 -3.464 -0.053 1.00 0.00 H new ATOM 0 HA ASN A 87 15.475 -4.536 -0.220 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.069 -3.925 2.298 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.320 -4.032 2.283 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.878 -7.417 3.221 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.449 -5.796 3.779 1.00 0.00 H new ATOM 1292 N SER A 88 14.520 -2.206 0.387 1.00 0.00 N ATOM 1293 CA SER A 88 14.009 -0.842 0.317 1.00 0.00 C ATOM 1294 C SER A 88 12.559 -0.780 0.788 1.00 0.00 C ATOM 1295 O SER A 88 11.801 -1.735 0.626 1.00 0.00 O ATOM 1296 CB SER A 88 14.115 -0.307 -1.112 1.00 0.00 C ATOM 1297 OG SER A 88 13.374 -1.111 -2.014 1.00 0.00 O ATOM 0 H SER A 88 13.808 -2.915 0.563 1.00 0.00 H new ATOM 0 HA SER A 88 14.615 -0.220 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.747 0.719 -1.148 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.161 -0.282 -1.418 1.00 0.00 H new ATOM 0 HG SER A 88 13.817 -1.979 -2.118 1.00 0.00 H new ATOM 1303 N ASN A 89 12.181 0.352 1.373 1.00 0.00 N ATOM 1304 CA ASN A 89 10.822 0.540 1.869 1.00 0.00 C ATOM 1305 C ASN A 89 10.293 1.922 1.497 1.00 0.00 C ATOM 1306 O ASN A 89 11.065 2.836 1.210 1.00 0.00 O ATOM 1307 CB ASN A 89 10.782 0.358 3.387 1.00 0.00 C ATOM 1308 CG ASN A 89 11.036 -1.078 3.805 1.00 0.00 C ATOM 1309 OD1 ASN A 89 11.721 -1.827 3.108 1.00 0.00 O ATOM 1310 ND2 ASN A 89 10.484 -1.469 4.947 1.00 0.00 N ATOM 0 H ASN A 89 12.796 1.153 1.515 1.00 0.00 H new ATOM 0 HA ASN A 89 10.184 -0.211 1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.529 1.005 3.847 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.810 0.676 3.763 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.620 -2.424 5.279 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.924 -0.815 5.493 1.00 0.00 H new ATOM 1317 N ALA A 90 8.972 2.065 1.505 1.00 0.00 N ATOM 1318 CA ALA A 90 8.340 3.335 1.171 1.00 0.00 C ATOM 1319 C ALA A 90 7.241 3.681 2.170 1.00 0.00 C ATOM 1320 O ALA A 90 6.917 2.885 3.051 1.00 0.00 O ATOM 1321 CB ALA A 90 7.777 3.289 -0.241 1.00 0.00 C ATOM 0 H ALA A 90 8.319 1.317 1.739 1.00 0.00 H new ATOM 0 HA ALA A 90 9.100 4.115 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.308 4.244 -0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.584 3.096 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.035 2.493 -0.311 1.00 0.00 H new ATOM 1327 N SER A 91 6.670 4.873 2.027 1.00 0.00 N ATOM 1328 CA SER A 91 5.610 5.325 2.920 1.00 0.00 C ATOM 1329 C SER A 91 4.584 6.164 2.164 1.00 0.00 C ATOM 1330 O SER A 91 4.852 6.651 1.066 1.00 0.00 O ATOM 1331 CB SER A 91 6.199 6.138 4.075 1.00 0.00 C ATOM 1332 OG SER A 91 7.207 5.406 4.751 1.00 0.00 O ATOM 0 H SER A 91 6.924 5.543 1.301 1.00 0.00 H new ATOM 0 HA SER A 91 5.108 4.445 3.323 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.616 7.070 3.693 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.408 6.406 4.775 1.00 0.00 H new ATOM 0 HG SER A 91 7.569 5.947 5.484 1.00 0.00 H new ATOM 1338 N ALA A 92 3.408 6.328 2.761 1.00 0.00 N ATOM 1339 CA ALA A 92 2.342 7.109 2.146 1.00 0.00 C ATOM 1340 C ALA A 92 1.165 7.279 3.101 1.00 0.00 C ATOM 1341 O ALA A 92 0.749 6.328 3.764 1.00 0.00 O ATOM 1342 CB ALA A 92 1.884 6.451 0.853 1.00 0.00 C ATOM 0 H ALA A 92 3.170 5.931 3.670 1.00 0.00 H new ATOM 0 HA ALA A 92 2.736 8.099 1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.088 7.045 0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.723 6.387 0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.513 5.449 1.066 1.00 0.00 H new ATOM 1348 N TYR A 93 0.633 8.494 3.167 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.494 8.789 4.043 1.00 0.00 C ATOM 1350 C TYR A 93 -1.819 8.577 3.317 1.00 0.00 C ATOM 1351 O TYR A 93 -1.973 8.962 2.157 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.406 10.227 4.557 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.377 10.531 5.675 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -2.708 10.823 5.405 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -0.964 10.526 7.002 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -3.599 11.103 6.423 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -1.848 10.803 8.027 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.164 11.091 7.732 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.049 11.368 8.749 1.00 0.00 O ATOM 0 H TYR A 93 0.964 9.291 2.624 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.451 8.104 4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.609 10.417 4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.592 10.912 3.730 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.052 10.831 4.381 1.00 0.00 H new ATOM 0 HD2 TYR A 93 0.066 10.302 7.236 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.630 11.330 6.195 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.511 10.794 9.053 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.584 11.317 9.610 1.00 0.00 H new ATOM 1369 N LEU A 94 -2.773 7.964 4.008 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.087 7.700 3.431 1.00 0.00 C ATOM 1371 C LEU A 94 -5.180 8.424 4.211 1.00 0.00 C ATOM 1372 O LEU A 94 -5.488 8.063 5.346 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.367 6.197 3.415 1.00 0.00 C ATOM 1374 CG LEU A 94 -5.816 5.786 3.150 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.069 5.653 1.657 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.141 4.484 3.867 1.00 0.00 C ATOM 0 H LEU A 94 -2.662 7.640 4.969 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.088 8.074 2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.736 5.738 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.062 5.781 4.375 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.471 6.565 3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.105 5.360 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.878 6.609 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.405 4.895 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.176 4.207 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.479 3.696 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.001 4.615 4.940 1.00 0.00 H new ATOM 1388 N ASN A 95 -5.762 9.447 3.593 1.00 0.00 N ATOM 1389 CA ASN A 95 -6.822 10.220 4.229 1.00 0.00 C ATOM 1390 C ASN A 95 -8.192 9.625 3.918 1.00 0.00 C ATOM 1391 O ASN A 95 -8.538 9.409 2.756 1.00 0.00 O ATOM 1392 CB ASN A 95 -6.769 11.677 3.763 1.00 0.00 C ATOM 1393 CG ASN A 95 -7.833 12.534 4.421 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.628 12.047 5.226 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -7.853 13.817 4.081 1.00 0.00 N ATOM 0 H ASN A 95 -5.517 9.759 2.653 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.666 10.184 5.307 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.785 12.091 3.984 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.894 11.714 2.681 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.546 14.443 4.491 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.175 14.177 3.410 1.00 0.00 H new ATOM 1402 N VAL A 96 -8.969 9.363 4.964 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.302 8.795 4.803 1.00 0.00 C ATOM 1404 C VAL A 96 -11.364 9.702 5.415 1.00 0.00 C ATOM 1405 O VAL A 96 -11.397 9.905 6.628 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.400 7.400 5.449 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -11.727 6.742 5.102 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.233 6.528 5.011 1.00 0.00 C ATOM 0 H VAL A 96 -8.698 9.535 5.932 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.480 8.704 3.731 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.352 7.516 6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.778 5.758 5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.546 7.360 5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.809 6.637 4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.318 5.546 5.477 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.248 6.418 3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.296 6.994 5.316 1.00 0.00 H new ATOM 1418 N SER A 97 -12.232 10.244 4.566 1.00 0.00 N ATOM 1419 CA SER A 97 -13.294 11.133 5.023 1.00 0.00 C ATOM 1420 C SER A 97 -14.633 10.403 5.062 1.00 0.00 C ATOM 1421 O SER A 97 -14.923 9.567 4.206 1.00 0.00 O ATOM 1422 CB SER A 97 -13.393 12.355 4.109 1.00 0.00 C ATOM 1423 OG SER A 97 -12.441 13.340 4.469 1.00 0.00 O ATOM 0 H SER A 97 -12.221 10.083 3.559 1.00 0.00 H new ATOM 0 HA SER A 97 -13.050 11.463 6.033 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.234 12.053 3.074 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.397 12.776 4.168 1.00 0.00 H new ATOM 0 HG SER A 97 -12.524 14.110 3.868 1.00 0.00 H new ATOM 1429 N SER A 98 -15.446 10.725 6.063 1.00 0.00 N ATOM 1430 CA SER A 98 -16.754 10.098 6.218 1.00 0.00 C ATOM 1431 C SER A 98 -17.707 10.550 5.116 1.00 0.00 C ATOM 1432 O SER A 98 -17.994 11.739 4.976 1.00 0.00 O ATOM 1433 CB SER A 98 -17.345 10.435 7.589 1.00 0.00 C ATOM 1434 OG SER A 98 -17.903 11.737 7.598 1.00 0.00 O ATOM 0 H SER A 98 -15.222 11.416 6.779 1.00 0.00 H new ATOM 0 HA SER A 98 -16.624 9.019 6.141 1.00 0.00 H new ATOM 0 HB2 SER A 98 -18.113 9.705 7.847 1.00 0.00 H new ATOM 0 HB3 SER A 98 -16.569 10.364 8.351 1.00 0.00 H new ATOM 0 HG SER A 98 -17.782 12.151 6.718 1.00 0.00 H new ATOM 1440 N GLY A 99 -18.195 9.592 4.334 1.00 0.00 N ATOM 1441 CA GLY A 99 -19.110 9.910 3.253 1.00 0.00 C ATOM 1442 C GLY A 99 -20.202 10.869 3.683 1.00 0.00 C ATOM 1443 O GLY A 99 -20.418 11.107 4.871 1.00 0.00 O ATOM 0 H GLY A 99 -17.973 8.601 4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -18.552 10.347 2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -19.563 8.991 2.882 1.00 0.00 H new ATOM 1447 N PRO A 100 -20.914 11.440 2.699 1.00 0.00 N ATOM 1448 CA PRO A 100 -22.001 12.389 2.957 1.00 0.00 C ATOM 1449 C PRO A 100 -23.220 11.718 3.583 1.00 0.00 C ATOM 1450 O PRO A 100 -23.739 12.177 4.600 1.00 0.00 O ATOM 1451 CB PRO A 100 -22.342 12.924 1.564 1.00 0.00 C ATOM 1452 CG PRO A 100 -21.916 11.846 0.629 1.00 0.00 C ATOM 1453 CD PRO A 100 -20.712 11.202 1.260 1.00 0.00 C ATOM 0 HA PRO A 100 -21.707 13.163 3.666 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -23.408 13.131 1.470 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -21.816 13.857 1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -22.715 11.119 0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -21.671 12.254 -0.352 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -20.660 10.137 1.032 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -19.784 11.650 0.905 1.00 0.00 H new ATOM 1461 N SER A 101 -23.671 10.629 2.968 1.00 0.00 N ATOM 1462 CA SER A 101 -24.831 9.898 3.463 1.00 0.00 C ATOM 1463 C SER A 101 -24.490 9.143 4.745 1.00 0.00 C ATOM 1464 O SER A 101 -23.366 8.676 4.923 1.00 0.00 O ATOM 1465 CB SER A 101 -25.335 8.920 2.401 1.00 0.00 C ATOM 1466 OG SER A 101 -26.569 8.338 2.787 1.00 0.00 O ATOM 0 H SER A 101 -23.251 10.234 2.127 1.00 0.00 H new ATOM 0 HA SER A 101 -25.617 10.620 3.684 1.00 0.00 H new ATOM 0 HB2 SER A 101 -25.456 9.441 1.451 1.00 0.00 H new ATOM 0 HB3 SER A 101 -24.594 8.137 2.243 1.00 0.00 H new ATOM 0 HG SER A 101 -26.870 7.718 2.090 1.00 0.00 H new ATOM 1472 N SER A 102 -25.471 9.027 5.635 1.00 0.00 N ATOM 1473 CA SER A 102 -25.275 8.333 6.902 1.00 0.00 C ATOM 1474 C SER A 102 -25.502 6.833 6.740 1.00 0.00 C ATOM 1475 O SER A 102 -26.208 6.395 5.833 1.00 0.00 O ATOM 1476 CB SER A 102 -26.223 8.891 7.965 1.00 0.00 C ATOM 1477 OG SER A 102 -25.662 10.025 8.604 1.00 0.00 O ATOM 0 H SER A 102 -26.409 9.405 5.502 1.00 0.00 H new ATOM 0 HA SER A 102 -24.246 8.495 7.222 1.00 0.00 H new ATOM 0 HB2 SER A 102 -27.173 9.162 7.504 1.00 0.00 H new ATOM 0 HB3 SER A 102 -26.437 8.121 8.706 1.00 0.00 H new ATOM 0 HG SER A 102 -26.288 10.364 9.278 1.00 0.00 H new ATOM 1483 N GLY A 103 -24.896 6.050 7.627 1.00 0.00 N ATOM 1484 CA GLY A 103 -25.043 4.607 7.566 1.00 0.00 C ATOM 1485 C GLY A 103 -24.853 3.948 8.918 1.00 0.00 C ATOM 1486 O GLY A 103 -25.434 4.379 9.913 1.00 0.00 O ATOM 0 H GLY A 103 -24.306 6.389 8.387 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -26.033 4.362 7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -24.317 4.200 6.862 1.00 0.00 H new TER 1490 GLY A 103