USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 606 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 Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.011) USER MOD Single : A 7 GLN : amide:sc= -6.29! C(o=-6.3!,f=-6.2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 153:sc= -0.0893 (180deg=-0.718) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 150:sc= -0.679 (180deg=-2.46!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -157:sc= -4.41 (180deg=-5.55!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -6.21! C(o=-6.2!,f=-8!) USER MOD Single : A 52 ASN : amide:sc= -0.0557 X(o=-0.056,f=0) USER MOD Single : A 54 THR OG1 : rot 128:sc= -3.42! USER MOD Single : A 55 LYS NZ :NH3+ -122:sc=-0.00606 (180deg=-0.15) USER MOD Single : A 72 THR OG1 : rot 124:sc= -0.267! USER MOD Single : A 81 MET CE :methyl 140:sc= -1.36 (180deg=-3.28!) USER MOD Single : A 82 MET CE :methyl 153:sc= -14.4! (180deg=-20!) USER MOD Single : A 85 GLN : amide:sc= -2.3 K(o=-2.3,f=-4!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.650 -5.083 -11.274 1.00 0.00 N ATOM 25 CA MET A 3 64.527 -4.267 -10.031 1.00 0.00 C ATOM 26 C MET A 3 63.136 -3.633 -9.946 1.00 0.00 C ATOM 27 O MET A 3 62.477 -3.692 -8.927 1.00 0.00 O ATOM 28 CB MET A 3 65.599 -3.186 -10.164 1.00 0.00 C ATOM 29 CG MET A 3 66.900 -3.674 -9.523 1.00 0.00 C ATOM 30 SD MET A 3 67.654 -2.323 -8.584 1.00 0.00 S ATOM 31 CE MET A 3 68.521 -1.541 -9.966 1.00 0.00 C ATOM 0 HA MET A 3 64.657 -4.866 -9.130 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.765 -2.951 -11.215 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.266 -2.267 -9.681 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.699 -4.520 -8.866 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.588 -4.024 -10.292 1.00 0.00 H new ATOM 0 HE1 MET A 3 69.064 -0.667 -9.607 1.00 0.00 H new ATOM 0 HE2 MET A 3 69.223 -2.251 -10.403 1.00 0.00 H new ATOM 0 HE3 MET A 3 67.798 -1.234 -10.722 1.00 0.00 H new ATOM 41 N THR A 4 62.687 -3.027 -11.009 1.00 0.00 N ATOM 42 CA THR A 4 61.342 -2.387 -10.993 1.00 0.00 C ATOM 43 C THR A 4 60.309 -3.347 -10.394 1.00 0.00 C ATOM 44 O THR A 4 59.281 -2.934 -9.895 1.00 0.00 O ATOM 45 CB THR A 4 61.026 -2.098 -12.461 1.00 0.00 C ATOM 46 OG1 THR A 4 61.757 -0.955 -12.883 1.00 0.00 O ATOM 47 CG2 THR A 4 59.527 -1.835 -12.626 1.00 0.00 C ATOM 0 H THR A 4 63.194 -2.947 -11.890 1.00 0.00 H new ATOM 0 HA THR A 4 61.319 -1.481 -10.387 1.00 0.00 H new ATOM 0 HB THR A 4 61.308 -2.958 -13.068 1.00 0.00 H new ATOM 0 HG1 THR A 4 61.558 -0.768 -13.824 1.00 0.00 H new ATOM 0 HG21 THR A 4 59.307 -1.630 -13.674 1.00 0.00 H new ATOM 0 HG22 THR A 4 58.966 -2.712 -12.302 1.00 0.00 H new ATOM 0 HG23 THR A 4 59.239 -0.976 -12.020 1.00 0.00 H new ATOM 55 N ASP A 5 60.576 -4.622 -10.439 1.00 0.00 N ATOM 56 CA ASP A 5 59.610 -5.607 -9.871 1.00 0.00 C ATOM 57 C ASP A 5 59.786 -5.704 -8.354 1.00 0.00 C ATOM 58 O ASP A 5 58.869 -5.459 -7.595 1.00 0.00 O ATOM 59 CB ASP A 5 59.961 -6.936 -10.538 1.00 0.00 C ATOM 60 CG ASP A 5 59.144 -8.060 -9.898 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.929 -8.007 -9.986 1.00 0.00 O ATOM 62 OD2 ASP A 5 59.749 -8.955 -9.328 1.00 0.00 O ATOM 0 H ASP A 5 61.421 -5.026 -10.844 1.00 0.00 H new ATOM 0 HA ASP A 5 58.574 -5.322 -10.053 1.00 0.00 H new ATOM 0 HB2 ASP A 5 59.754 -6.885 -11.607 1.00 0.00 H new ATOM 0 HB3 ASP A 5 61.026 -7.139 -10.429 1.00 0.00 H new ATOM 67 N GLN A 6 60.960 -6.056 -7.905 1.00 0.00 N ATOM 68 CA GLN A 6 61.196 -6.167 -6.437 1.00 0.00 C ATOM 69 C GLN A 6 60.795 -4.867 -5.735 1.00 0.00 C ATOM 70 O GLN A 6 60.586 -4.835 -4.538 1.00 0.00 O ATOM 71 CB GLN A 6 62.699 -6.412 -6.297 1.00 0.00 C ATOM 72 CG GLN A 6 62.944 -7.513 -5.264 1.00 0.00 C ATOM 73 CD GLN A 6 62.752 -8.882 -5.921 1.00 0.00 C ATOM 74 OE1 GLN A 6 63.524 -9.272 -6.774 1.00 0.00 O ATOM 75 NE2 GLN A 6 61.749 -9.632 -5.556 1.00 0.00 N ATOM 0 H GLN A 6 61.766 -6.272 -8.491 1.00 0.00 H new ATOM 0 HA GLN A 6 60.608 -6.965 -5.983 1.00 0.00 H new ATOM 0 HB2 GLN A 6 63.122 -6.701 -7.259 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.201 -5.494 -5.991 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.953 -7.430 -4.861 1.00 0.00 H new ATOM 0 HG3 GLN A 6 62.256 -7.400 -4.426 1.00 0.00 H new ATOM 0 HE21 GLN A 6 61.101 -9.304 -4.840 1.00 0.00 H new ATOM 0 HE22 GLN A 6 61.613 -10.546 -5.987 1.00 0.00 H new ATOM 84 N GLN A 7 60.688 -3.794 -6.470 1.00 0.00 N ATOM 85 CA GLN A 7 60.303 -2.495 -5.846 1.00 0.00 C ATOM 86 C GLN A 7 58.928 -2.606 -5.178 1.00 0.00 C ATOM 87 O GLN A 7 58.799 -2.484 -3.977 1.00 0.00 O ATOM 88 CB GLN A 7 60.251 -1.500 -7.005 1.00 0.00 C ATOM 89 CG GLN A 7 60.458 -0.081 -6.473 1.00 0.00 C ATOM 90 CD GLN A 7 59.271 0.794 -6.874 1.00 0.00 C ATOM 91 OE1 GLN A 7 59.447 1.876 -7.398 1.00 0.00 O ATOM 92 NE2 GLN A 7 58.057 0.369 -6.651 1.00 0.00 N ATOM 0 H GLN A 7 60.851 -3.760 -7.476 1.00 0.00 H new ATOM 0 HA GLN A 7 61.007 -2.189 -5.072 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.021 -1.740 -7.738 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.291 -1.571 -7.516 1.00 0.00 H new ATOM 0 HG2 GLN A 7 60.559 -0.100 -5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.382 0.337 -6.872 1.00 0.00 H new ATOM 0 HE21 GLN A 7 57.907 -0.539 -6.211 1.00 0.00 H new ATOM 0 HE22 GLN A 7 57.258 0.945 -6.917 1.00 0.00 H new ATOM 101 N ALA A 8 57.901 -2.835 -5.950 1.00 0.00 N ATOM 102 CA ALA A 8 56.536 -2.948 -5.361 1.00 0.00 C ATOM 103 C ALA A 8 56.554 -3.882 -4.146 1.00 0.00 C ATOM 104 O ALA A 8 56.164 -3.507 -3.058 1.00 0.00 O ATOM 105 CB ALA A 8 55.672 -3.539 -6.475 1.00 0.00 C ATOM 0 H ALA A 8 57.948 -2.949 -6.963 1.00 0.00 H new ATOM 0 HA ALA A 8 56.158 -1.986 -5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.648 -3.654 -6.119 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.684 -2.872 -7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.067 -4.513 -6.764 1.00 0.00 H new ATOM 111 N GLU A 9 57.000 -5.094 -4.325 1.00 0.00 N ATOM 112 CA GLU A 9 57.039 -6.049 -3.180 1.00 0.00 C ATOM 113 C GLU A 9 57.993 -5.544 -2.095 1.00 0.00 C ATOM 114 O GLU A 9 57.932 -5.967 -0.958 1.00 0.00 O ATOM 115 CB GLU A 9 57.553 -7.360 -3.775 1.00 0.00 C ATOM 116 CG GLU A 9 56.859 -8.539 -3.089 1.00 0.00 C ATOM 117 CD GLU A 9 57.577 -9.838 -3.454 1.00 0.00 C ATOM 118 OE1 GLU A 9 58.619 -9.760 -4.084 1.00 0.00 O ATOM 119 OE2 GLU A 9 57.073 -10.891 -3.097 1.00 0.00 O ATOM 0 H GLU A 9 57.339 -5.465 -5.213 1.00 0.00 H new ATOM 0 HA GLU A 9 56.062 -6.167 -2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.360 -7.385 -4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 9 58.633 -7.433 -3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 9 56.865 -8.399 -2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 9 55.815 -8.589 -3.398 1.00 0.00 H new ATOM 126 N ALA A 10 58.874 -4.643 -2.434 1.00 0.00 N ATOM 127 CA ALA A 10 59.828 -4.117 -1.416 1.00 0.00 C ATOM 128 C ALA A 10 59.146 -3.054 -0.548 1.00 0.00 C ATOM 129 O ALA A 10 59.315 -3.020 0.655 1.00 0.00 O ATOM 130 CB ALA A 10 60.972 -3.502 -2.221 1.00 0.00 C ATOM 0 H ALA A 10 58.975 -4.249 -3.369 1.00 0.00 H new ATOM 0 HA ALA A 10 60.181 -4.897 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.717 -3.092 -1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.433 -4.269 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.583 -2.705 -2.855 1.00 0.00 H new ATOM 136 N ARG A 11 58.376 -2.186 -1.147 1.00 0.00 N ATOM 137 CA ARG A 11 57.689 -1.128 -0.351 1.00 0.00 C ATOM 138 C ARG A 11 56.377 -1.672 0.220 1.00 0.00 C ATOM 139 O ARG A 11 56.123 -1.596 1.405 1.00 0.00 O ATOM 140 CB ARG A 11 57.401 0.011 -1.335 1.00 0.00 C ATOM 141 CG ARG A 11 58.595 0.217 -2.272 1.00 0.00 C ATOM 142 CD ARG A 11 58.145 -0.010 -3.717 1.00 0.00 C ATOM 143 NE ARG A 11 57.530 1.282 -4.132 1.00 0.00 N ATOM 144 CZ ARG A 11 56.544 1.787 -3.442 1.00 0.00 C ATOM 145 NH1 ARG A 11 55.418 1.135 -3.340 1.00 0.00 N ATOM 146 NH2 ARG A 11 56.684 2.943 -2.854 1.00 0.00 N ATOM 0 H ARG A 11 58.193 -2.163 -2.150 1.00 0.00 H new ATOM 0 HA ARG A 11 58.299 -0.792 0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.508 -0.219 -1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 11 57.196 0.931 -0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.994 1.225 -2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 11 59.398 -0.474 -2.015 1.00 0.00 H new ATOM 0 HD2 ARG A 11 58.988 -0.271 -4.357 1.00 0.00 H new ATOM 0 HD3 ARG A 11 57.429 -0.829 -3.784 1.00 0.00 H new ATOM 0 HE ARG A 11 57.880 1.772 -4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 11 55.309 0.231 -3.799 1.00 0.00 H new ATOM 0 HH12 ARG A 11 54.647 1.529 -2.801 1.00 0.00 H new ATOM 0 HH21 ARG A 11 57.564 3.452 -2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 11 55.913 3.338 -2.315 1.00 0.00 H new ATOM 160 N ALA A 12 55.543 -2.221 -0.620 1.00 0.00 N ATOM 161 CA ALA A 12 54.245 -2.771 -0.134 1.00 0.00 C ATOM 162 C ALA A 12 54.481 -3.716 1.047 1.00 0.00 C ATOM 163 O ALA A 12 53.609 -3.933 1.865 1.00 0.00 O ATOM 164 CB ALA A 12 53.674 -3.534 -1.328 1.00 0.00 C ATOM 0 H ALA A 12 55.704 -2.313 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 12 53.567 -1.992 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.714 -3.972 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.535 -2.849 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.365 -4.326 -1.618 1.00 0.00 H new ATOM 170 N PHE A 13 55.654 -4.277 1.142 1.00 0.00 N ATOM 171 CA PHE A 13 55.946 -5.206 2.271 1.00 0.00 C ATOM 172 C PHE A 13 55.623 -4.528 3.607 1.00 0.00 C ATOM 173 O PHE A 13 55.183 -5.162 4.545 1.00 0.00 O ATOM 174 CB PHE A 13 57.444 -5.501 2.159 1.00 0.00 C ATOM 175 CG PHE A 13 57.954 -6.063 3.465 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.439 -7.268 3.959 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.941 -5.377 4.183 1.00 0.00 C ATOM 178 CE1 PHE A 13 57.913 -7.786 5.170 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.414 -5.895 5.393 1.00 0.00 C ATOM 180 CZ PHE A 13 58.901 -7.100 5.888 1.00 0.00 C ATOM 0 H PHE A 13 56.423 -4.133 0.488 1.00 0.00 H new ATOM 0 HA PHE A 13 55.349 -6.117 2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.625 -6.211 1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.986 -4.589 1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 13 56.677 -7.797 3.406 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.337 -4.447 3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 13 57.517 -8.715 5.551 1.00 0.00 H new ATOM 0 HE2 PHE A 13 60.176 -5.365 5.946 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.267 -7.500 6.822 1.00 0.00 H new ATOM 190 N LEU A 14 55.839 -3.244 3.700 1.00 0.00 N ATOM 191 CA LEU A 14 55.543 -2.529 4.975 1.00 0.00 C ATOM 192 C LEU A 14 54.255 -1.713 4.841 1.00 0.00 C ATOM 193 O LEU A 14 53.728 -1.538 3.759 1.00 0.00 O ATOM 194 CB LEU A 14 56.741 -1.604 5.196 1.00 0.00 C ATOM 195 CG LEU A 14 58.034 -2.420 5.142 1.00 0.00 C ATOM 196 CD1 LEU A 14 59.113 -1.620 4.410 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.504 -2.723 6.567 1.00 0.00 C ATOM 0 H LEU A 14 56.207 -2.660 2.949 1.00 0.00 H new ATOM 0 HA LEU A 14 55.397 -3.216 5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.758 -0.825 4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.654 -1.104 6.161 1.00 0.00 H new ATOM 0 HG LEU A 14 57.852 -3.354 4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 14 60.034 -2.202 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 14 58.779 -1.402 3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.296 -0.685 4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 14 59.425 -3.304 6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 14 58.686 -1.788 7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 14 57.736 -3.293 7.090 1.00 0.00 H new ATOM 209 N SER A 15 53.745 -1.211 5.932 1.00 0.00 N ATOM 210 CA SER A 15 52.492 -0.406 5.869 1.00 0.00 C ATOM 211 C SER A 15 52.821 1.067 5.618 1.00 0.00 C ATOM 212 O SER A 15 53.838 1.569 6.057 1.00 0.00 O ATOM 213 CB SER A 15 51.839 -0.582 7.240 1.00 0.00 C ATOM 214 OG SER A 15 50.988 -1.721 7.212 1.00 0.00 O ATOM 0 H SER A 15 54.142 -1.323 6.865 1.00 0.00 H new ATOM 0 HA SER A 15 51.836 -0.727 5.060 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.604 -0.704 8.007 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.266 0.308 7.500 1.00 0.00 H new ATOM 0 HG SER A 15 50.569 -1.838 8.090 1.00 0.00 H new ATOM 220 N GLU A 16 51.971 1.765 4.914 1.00 0.00 N ATOM 221 CA GLU A 16 52.238 3.206 4.637 1.00 0.00 C ATOM 222 C GLU A 16 52.763 3.900 5.897 1.00 0.00 C ATOM 223 O GLU A 16 53.499 4.865 5.825 1.00 0.00 O ATOM 224 CB GLU A 16 50.884 3.787 4.230 1.00 0.00 C ATOM 225 CG GLU A 16 51.085 5.179 3.627 1.00 0.00 C ATOM 226 CD GLU A 16 49.729 5.761 3.221 1.00 0.00 C ATOM 227 OE1 GLU A 16 48.770 5.533 3.941 1.00 0.00 O ATOM 228 OE2 GLU A 16 49.673 6.423 2.199 1.00 0.00 O ATOM 0 H GLU A 16 51.104 1.400 4.519 1.00 0.00 H new ATOM 0 HA GLU A 16 52.992 3.345 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.398 3.132 3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.227 3.846 5.097 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.571 5.833 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.742 5.119 2.759 1.00 0.00 H new ATOM 235 N GLU A 17 52.392 3.416 7.050 1.00 0.00 N ATOM 236 CA GLU A 17 52.868 4.048 8.313 1.00 0.00 C ATOM 237 C GLU A 17 54.383 3.870 8.455 1.00 0.00 C ATOM 238 O GLU A 17 55.095 4.791 8.805 1.00 0.00 O ATOM 239 CB GLU A 17 52.134 3.306 9.429 1.00 0.00 C ATOM 240 CG GLU A 17 52.007 4.217 10.652 1.00 0.00 C ATOM 241 CD GLU A 17 50.529 4.504 10.923 1.00 0.00 C ATOM 242 OE1 GLU A 17 49.886 3.668 11.537 1.00 0.00 O ATOM 243 OE2 GLU A 17 50.065 5.555 10.514 1.00 0.00 O ATOM 0 H GLU A 17 51.779 2.610 7.172 1.00 0.00 H new ATOM 0 HA GLU A 17 52.670 5.120 8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.146 2.999 9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.676 2.398 9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.462 3.742 11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 17 52.544 5.150 10.481 1.00 0.00 H new ATOM 250 N MET A 18 54.881 2.694 8.184 1.00 0.00 N ATOM 251 CA MET A 18 56.349 2.460 8.305 1.00 0.00 C ATOM 252 C MET A 18 57.098 3.234 7.215 1.00 0.00 C ATOM 253 O MET A 18 58.096 3.875 7.472 1.00 0.00 O ATOM 254 CB MET A 18 56.530 0.955 8.113 1.00 0.00 C ATOM 255 CG MET A 18 58.012 0.599 8.241 1.00 0.00 C ATOM 256 SD MET A 18 58.610 1.080 9.880 1.00 0.00 S ATOM 257 CE MET A 18 57.768 -0.216 10.821 1.00 0.00 C ATOM 0 H MET A 18 54.336 1.886 7.884 1.00 0.00 H new ATOM 0 HA MET A 18 56.743 2.797 9.264 1.00 0.00 H new ATOM 0 HB2 MET A 18 55.949 0.410 8.857 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.156 0.655 7.134 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.154 -0.471 8.090 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.587 1.109 7.468 1.00 0.00 H new ATOM 0 HE1 MET A 18 58.328 -0.426 11.732 1.00 0.00 H new ATOM 0 HE2 MET A 18 56.764 0.118 11.082 1.00 0.00 H new ATOM 0 HE3 MET A 18 57.704 -1.121 10.217 1.00 0.00 H new ATOM 267 N ILE A 19 56.622 3.179 6.001 1.00 0.00 N ATOM 268 CA ILE A 19 57.310 3.911 4.900 1.00 0.00 C ATOM 269 C ILE A 19 57.711 5.311 5.371 1.00 0.00 C ATOM 270 O ILE A 19 58.777 5.802 5.056 1.00 0.00 O ATOM 271 CB ILE A 19 56.279 4.000 3.774 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.163 2.639 3.082 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.721 5.051 2.755 1.00 0.00 C ATOM 274 CD1 ILE A 19 55.113 2.720 1.972 1.00 0.00 C ATOM 0 H ILE A 19 55.789 2.660 5.724 1.00 0.00 H new ATOM 0 HA ILE A 19 58.222 3.408 4.576 1.00 0.00 H new ATOM 0 HB ILE A 19 55.312 4.283 4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 19 57.127 2.348 2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.884 1.873 3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.985 5.113 1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.805 6.021 3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.688 4.770 2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 19 55.030 1.752 1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.149 2.992 2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 19 55.411 3.474 1.243 1.00 0.00 H new ATOM 286 N ALA A 20 56.866 5.957 6.128 1.00 0.00 N ATOM 287 CA ALA A 20 57.200 7.324 6.621 1.00 0.00 C ATOM 288 C ALA A 20 58.355 7.253 7.624 1.00 0.00 C ATOM 289 O ALA A 20 59.138 8.173 7.752 1.00 0.00 O ATOM 290 CB ALA A 20 55.926 7.823 7.304 1.00 0.00 C ATOM 0 H ALA A 20 55.959 5.598 6.426 1.00 0.00 H new ATOM 0 HA ALA A 20 57.516 7.988 5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 20 56.092 8.827 7.695 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.110 7.845 6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.666 7.153 8.124 1.00 0.00 H new ATOM 296 N GLU A 21 58.467 6.163 8.334 1.00 0.00 N ATOM 297 CA GLU A 21 59.572 6.027 9.326 1.00 0.00 C ATOM 298 C GLU A 21 60.926 6.051 8.612 1.00 0.00 C ATOM 299 O GLU A 21 61.859 6.695 9.050 1.00 0.00 O ATOM 300 CB GLU A 21 59.339 4.670 9.991 1.00 0.00 C ATOM 301 CG GLU A 21 60.518 4.341 10.910 1.00 0.00 C ATOM 302 CD GLU A 21 60.169 4.733 12.348 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.351 5.622 12.517 1.00 0.00 O ATOM 304 OE2 GLU A 21 60.726 4.136 13.254 1.00 0.00 O ATOM 0 H GLU A 21 57.841 5.360 8.270 1.00 0.00 H new ATOM 0 HA GLU A 21 59.581 6.840 10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.412 4.689 10.564 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.229 3.896 9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 21 60.748 3.277 10.857 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.409 4.876 10.582 1.00 0.00 H new ATOM 311 N PHE A 22 61.038 5.355 7.514 1.00 0.00 N ATOM 312 CA PHE A 22 62.331 5.338 6.772 1.00 0.00 C ATOM 313 C PHE A 22 62.506 6.643 5.989 1.00 0.00 C ATOM 314 O PHE A 22 63.606 7.035 5.657 1.00 0.00 O ATOM 315 CB PHE A 22 62.224 4.145 5.818 1.00 0.00 C ATOM 316 CG PHE A 22 61.911 2.886 6.598 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.099 2.848 7.987 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.434 1.752 5.928 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.809 1.681 8.703 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.144 0.584 6.645 1.00 0.00 C ATOM 321 CZ PHE A 22 61.332 0.549 8.032 1.00 0.00 C ATOM 0 H PHE A 22 60.291 4.798 7.099 1.00 0.00 H new ATOM 0 HA PHE A 22 63.190 5.250 7.437 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.444 4.328 5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.159 4.021 5.271 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.468 3.721 8.505 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.290 1.778 4.858 1.00 0.00 H new ATOM 0 HE1 PHE A 22 61.953 1.654 9.773 1.00 0.00 H new ATOM 0 HE2 PHE A 22 60.775 -0.290 6.128 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.109 -0.352 8.584 1.00 0.00 H new ATOM 331 N LYS A 23 61.428 7.317 5.695 1.00 0.00 N ATOM 332 CA LYS A 23 61.530 8.597 4.937 1.00 0.00 C ATOM 333 C LYS A 23 62.440 9.582 5.677 1.00 0.00 C ATOM 334 O LYS A 23 63.478 9.976 5.182 1.00 0.00 O ATOM 335 CB LYS A 23 60.100 9.136 4.881 1.00 0.00 C ATOM 336 CG LYS A 23 59.367 8.517 3.689 1.00 0.00 C ATOM 337 CD LYS A 23 59.894 9.134 2.394 1.00 0.00 C ATOM 338 CE LYS A 23 58.758 9.862 1.673 1.00 0.00 C ATOM 339 NZ LYS A 23 58.627 9.166 0.362 1.00 0.00 N ATOM 0 H LYS A 23 60.480 7.037 5.947 1.00 0.00 H new ATOM 0 HA LYS A 23 61.956 8.454 3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.575 8.900 5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.113 10.222 4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.516 7.437 3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 23 58.294 8.690 3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 23 60.704 9.830 2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 23 60.307 8.357 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 23 57.830 9.809 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.989 10.919 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 57.866 9.609 -0.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 59.523 9.239 -0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 58.400 8.164 0.522 1.00 0.00 H new ATOM 353 N ALA A 24 62.054 9.985 6.856 1.00 0.00 N ATOM 354 CA ALA A 24 62.891 10.949 7.629 1.00 0.00 C ATOM 355 C ALA A 24 64.290 10.373 7.865 1.00 0.00 C ATOM 356 O ALA A 24 65.238 11.097 8.097 1.00 0.00 O ATOM 357 CB ALA A 24 62.155 11.134 8.956 1.00 0.00 C ATOM 0 H ALA A 24 61.195 9.689 7.319 1.00 0.00 H new ATOM 0 HA ALA A 24 63.026 11.893 7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.708 11.832 9.585 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.157 11.529 8.767 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.074 10.173 9.464 1.00 0.00 H new ATOM 363 N ALA A 25 64.426 9.076 7.808 1.00 0.00 N ATOM 364 CA ALA A 25 65.765 8.459 8.032 1.00 0.00 C ATOM 365 C ALA A 25 66.509 8.304 6.703 1.00 0.00 C ATOM 366 O ALA A 25 67.721 8.370 6.648 1.00 0.00 O ATOM 367 CB ALA A 25 65.472 7.089 8.645 1.00 0.00 C ATOM 0 H ALA A 25 63.670 8.418 7.617 1.00 0.00 H new ATOM 0 HA ALA A 25 66.396 9.069 8.678 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.410 6.570 8.840 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.927 7.218 9.580 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.870 6.502 7.952 1.00 0.00 H new ATOM 373 N PHE A 26 65.793 8.097 5.631 1.00 0.00 N ATOM 374 CA PHE A 26 66.462 7.937 4.308 1.00 0.00 C ATOM 375 C PHE A 26 67.080 9.264 3.857 1.00 0.00 C ATOM 376 O PHE A 26 68.165 9.299 3.313 1.00 0.00 O ATOM 377 CB PHE A 26 65.350 7.510 3.349 1.00 0.00 C ATOM 378 CG PHE A 26 65.864 7.566 1.931 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.512 6.455 1.377 1.00 0.00 C ATOM 380 CD2 PHE A 26 65.694 8.729 1.170 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.990 6.507 0.062 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.173 8.782 -0.144 1.00 0.00 C ATOM 383 CZ PHE A 26 66.820 7.670 -0.698 1.00 0.00 C ATOM 0 H PHE A 26 64.775 8.032 5.614 1.00 0.00 H new ATOM 0 HA PHE A 26 67.272 7.209 4.344 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.017 6.500 3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.486 8.165 3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 26 66.643 5.558 1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 26 65.193 9.585 1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 26 67.490 5.650 -0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 26 66.044 9.680 -0.730 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.188 7.710 -1.713 1.00 0.00 H new ATOM 393 N ASP A 27 66.397 10.355 4.076 1.00 0.00 N ATOM 394 CA ASP A 27 66.950 11.675 3.655 1.00 0.00 C ATOM 395 C ASP A 27 68.158 12.047 4.520 1.00 0.00 C ATOM 396 O ASP A 27 68.817 13.040 4.288 1.00 0.00 O ATOM 397 CB ASP A 27 65.810 12.672 3.869 1.00 0.00 C ATOM 398 CG ASP A 27 65.553 12.841 5.368 1.00 0.00 C ATOM 399 OD1 ASP A 27 66.474 13.231 6.067 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.440 12.580 5.791 1.00 0.00 O ATOM 0 H ASP A 27 65.483 10.390 4.527 1.00 0.00 H new ATOM 0 HA ASP A 27 67.293 11.665 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 27 66.065 13.633 3.423 1.00 0.00 H new ATOM 0 HB3 ASP A 27 64.906 12.319 3.372 1.00 0.00 H new ATOM 405 N MET A 28 68.451 11.257 5.517 1.00 0.00 N ATOM 406 CA MET A 28 69.616 11.567 6.396 1.00 0.00 C ATOM 407 C MET A 28 70.889 11.721 5.559 1.00 0.00 C ATOM 408 O MET A 28 71.873 12.274 6.007 1.00 0.00 O ATOM 409 CB MET A 28 69.737 10.364 7.333 1.00 0.00 C ATOM 410 CG MET A 28 68.617 10.413 8.375 1.00 0.00 C ATOM 411 SD MET A 28 69.249 11.145 9.906 1.00 0.00 S ATOM 412 CE MET A 28 68.896 12.872 9.495 1.00 0.00 C ATOM 0 H MET A 28 67.935 10.411 5.761 1.00 0.00 H new ATOM 0 HA MET A 28 69.481 12.500 6.942 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.677 9.437 6.762 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.708 10.371 7.827 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.780 11.000 7.997 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.241 9.408 8.568 1.00 0.00 H new ATOM 0 HE1 MET A 28 68.695 13.430 10.410 1.00 0.00 H new ATOM 0 HE2 MET A 28 69.756 13.308 8.986 1.00 0.00 H new ATOM 0 HE3 MET A 28 68.025 12.920 8.842 1.00 0.00 H new ATOM 422 N PHE A 29 70.880 11.229 4.351 1.00 0.00 N ATOM 423 CA PHE A 29 72.100 11.343 3.494 1.00 0.00 C ATOM 424 C PHE A 29 71.754 12.008 2.158 1.00 0.00 C ATOM 425 O PHE A 29 72.570 12.078 1.261 1.00 0.00 O ATOM 426 CB PHE A 29 72.577 9.902 3.269 1.00 0.00 C ATOM 427 CG PHE A 29 72.337 9.081 4.516 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.115 8.422 4.690 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.330 8.989 5.499 1.00 0.00 C ATOM 430 CE1 PHE A 29 70.885 7.669 5.846 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.100 8.237 6.657 1.00 0.00 C ATOM 432 CZ PHE A 29 71.877 7.577 6.830 1.00 0.00 C ATOM 0 H PHE A 29 70.087 10.755 3.919 1.00 0.00 H new ATOM 0 HA PHE A 29 72.870 11.955 3.963 1.00 0.00 H new ATOM 0 HB2 PHE A 29 72.046 9.461 2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.637 9.896 3.017 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.349 8.495 3.932 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.273 9.498 5.364 1.00 0.00 H new ATOM 0 HE1 PHE A 29 69.943 7.159 5.980 1.00 0.00 H new ATOM 0 HE2 PHE A 29 73.865 8.166 7.416 1.00 0.00 H new ATOM 0 HZ PHE A 29 71.699 6.997 7.723 1.00 0.00 H new ATOM 442 N ASP A 30 70.552 12.496 2.020 1.00 0.00 N ATOM 443 CA ASP A 30 70.160 13.156 0.741 1.00 0.00 C ATOM 444 C ASP A 30 70.881 14.499 0.597 1.00 0.00 C ATOM 445 O ASP A 30 70.319 15.546 0.847 1.00 0.00 O ATOM 446 CB ASP A 30 68.649 13.367 0.850 1.00 0.00 C ATOM 447 CG ASP A 30 67.951 12.681 -0.326 1.00 0.00 C ATOM 448 OD1 ASP A 30 68.415 12.846 -1.443 1.00 0.00 O ATOM 449 OD2 ASP A 30 66.965 12.004 -0.091 1.00 0.00 O ATOM 0 H ASP A 30 69.825 12.467 2.735 1.00 0.00 H new ATOM 0 HA ASP A 30 70.425 12.558 -0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.281 12.960 1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.419 14.432 0.852 1.00 0.00 H new ATOM 490 N GLY A 35 65.821 12.445 -3.972 1.00 0.00 N ATOM 491 CA GLY A 35 65.110 11.157 -3.742 1.00 0.00 C ATOM 492 C GLY A 35 66.090 9.992 -3.907 1.00 0.00 C ATOM 493 O GLY A 35 65.704 8.887 -4.237 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.677 11.143 -2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.285 11.054 -4.447 1.00 0.00 H new ATOM 497 N ASP A 36 67.353 10.227 -3.680 1.00 0.00 N ATOM 498 CA ASP A 36 68.351 9.128 -3.825 1.00 0.00 C ATOM 499 C ASP A 36 69.714 9.567 -3.281 1.00 0.00 C ATOM 500 O ASP A 36 70.268 10.564 -3.700 1.00 0.00 O ATOM 501 CB ASP A 36 68.436 8.863 -5.329 1.00 0.00 C ATOM 502 CG ASP A 36 68.513 10.193 -6.081 1.00 0.00 C ATOM 503 OD1 ASP A 36 69.479 10.911 -5.880 1.00 0.00 O ATOM 504 OD2 ASP A 36 67.605 10.471 -6.848 1.00 0.00 O ATOM 0 H ASP A 36 67.737 11.130 -3.401 1.00 0.00 H new ATOM 0 HA ASP A 36 68.061 8.237 -3.268 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.313 8.256 -5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.565 8.297 -5.659 1.00 0.00 H new ATOM 509 N ILE A 37 70.257 8.827 -2.352 1.00 0.00 N ATOM 510 CA ILE A 37 71.584 9.199 -1.783 1.00 0.00 C ATOM 511 C ILE A 37 72.700 8.449 -2.516 1.00 0.00 C ATOM 512 O ILE A 37 72.456 7.494 -3.226 1.00 0.00 O ATOM 513 CB ILE A 37 71.521 8.766 -0.317 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.601 7.240 -0.231 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.205 9.242 0.299 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.469 6.804 1.230 1.00 0.00 C ATOM 0 H ILE A 37 69.839 7.982 -1.963 1.00 0.00 H new ATOM 0 HA ILE A 37 71.795 10.264 -1.885 1.00 0.00 H new ATOM 0 HB ILE A 37 72.357 9.205 0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.809 6.789 -0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.548 6.891 -0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.160 8.934 1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.147 10.329 0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.369 8.803 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.526 5.717 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.277 7.244 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.510 7.140 1.625 1.00 0.00 H new ATOM 528 N SER A 38 73.922 8.873 -2.349 1.00 0.00 N ATOM 529 CA SER A 38 75.050 8.182 -3.036 1.00 0.00 C ATOM 530 C SER A 38 75.048 6.692 -2.684 1.00 0.00 C ATOM 531 O SER A 38 74.961 6.317 -1.532 1.00 0.00 O ATOM 532 CB SER A 38 76.311 8.857 -2.501 1.00 0.00 C ATOM 533 OG SER A 38 77.077 9.355 -3.590 1.00 0.00 O ATOM 0 H SER A 38 74.189 9.667 -1.767 1.00 0.00 H new ATOM 0 HA SER A 38 74.979 8.252 -4.121 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.043 9.671 -1.828 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.900 8.146 -1.922 1.00 0.00 H new ATOM 0 HG SER A 38 77.886 9.790 -3.249 1.00 0.00 H new ATOM 539 N THR A 39 75.140 5.840 -3.667 1.00 0.00 N ATOM 540 CA THR A 39 75.141 4.375 -3.386 1.00 0.00 C ATOM 541 C THR A 39 76.032 4.069 -2.179 1.00 0.00 C ATOM 542 O THR A 39 75.803 3.125 -1.449 1.00 0.00 O ATOM 543 CB THR A 39 75.709 3.727 -4.650 1.00 0.00 C ATOM 544 OG1 THR A 39 76.900 4.400 -5.030 1.00 0.00 O ATOM 545 CG2 THR A 39 74.684 3.820 -5.780 1.00 0.00 C ATOM 0 H THR A 39 75.215 6.093 -4.652 1.00 0.00 H new ATOM 0 HA THR A 39 74.145 4.000 -3.149 1.00 0.00 H new ATOM 0 HB THR A 39 75.931 2.678 -4.452 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.266 3.985 -5.839 1.00 0.00 H new ATOM 0 HG21 THR A 39 75.091 3.358 -6.679 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.771 3.302 -5.487 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.458 4.867 -5.981 1.00 0.00 H new ATOM 553 N LYS A 40 77.046 4.861 -1.962 1.00 0.00 N ATOM 554 CA LYS A 40 77.950 4.614 -0.800 1.00 0.00 C ATOM 555 C LYS A 40 77.169 4.738 0.511 1.00 0.00 C ATOM 556 O LYS A 40 77.578 4.234 1.538 1.00 0.00 O ATOM 557 CB LYS A 40 79.023 5.699 -0.893 1.00 0.00 C ATOM 558 CG LYS A 40 80.336 5.168 -0.313 1.00 0.00 C ATOM 559 CD LYS A 40 81.497 6.048 -0.783 1.00 0.00 C ATOM 560 CE LYS A 40 82.153 5.413 -2.012 1.00 0.00 C ATOM 561 NZ LYS A 40 83.566 5.880 -1.977 1.00 0.00 N ATOM 0 H LYS A 40 77.288 5.668 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 40 78.383 3.614 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.166 5.996 -1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 40 78.705 6.588 -0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.288 5.162 0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.495 4.138 -0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.135 7.047 -1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 40 82.229 6.160 0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.095 4.325 -1.973 1.00 0.00 H new ATOM 0 HE3 LYS A 40 81.656 5.725 -2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 84.082 5.486 -2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 83.590 6.919 -2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 84.015 5.562 -1.094 1.00 0.00 H new ATOM 575 N GLU A 41 76.049 5.407 0.485 1.00 0.00 N ATOM 576 CA GLU A 41 75.244 5.562 1.731 1.00 0.00 C ATOM 577 C GLU A 41 74.127 4.516 1.775 1.00 0.00 C ATOM 578 O GLU A 41 73.317 4.497 2.681 1.00 0.00 O ATOM 579 CB GLU A 41 74.655 6.971 1.648 1.00 0.00 C ATOM 580 CG GLU A 41 75.701 7.990 2.105 1.00 0.00 C ATOM 581 CD GLU A 41 77.021 7.731 1.375 1.00 0.00 C ATOM 582 OE1 GLU A 41 77.045 7.881 0.164 1.00 0.00 O ATOM 583 OE2 GLU A 41 77.984 7.388 2.040 1.00 0.00 O ATOM 0 H GLU A 41 75.656 5.853 -0.344 1.00 0.00 H new ATOM 0 HA GLU A 41 75.844 5.422 2.630 1.00 0.00 H new ATOM 0 HB2 GLU A 41 74.344 7.187 0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 41 73.765 7.042 2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 41 75.352 9.002 1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 41 75.849 7.917 3.182 1.00 0.00 H new ATOM 590 N LEU A 42 74.078 3.646 0.804 1.00 0.00 N ATOM 591 CA LEU A 42 73.013 2.602 0.793 1.00 0.00 C ATOM 592 C LEU A 42 73.161 1.678 2.005 1.00 0.00 C ATOM 593 O LEU A 42 72.198 1.131 2.501 1.00 0.00 O ATOM 594 CB LEU A 42 73.233 1.823 -0.504 1.00 0.00 C ATOM 595 CG LEU A 42 72.231 0.670 -0.583 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.891 0.388 -2.046 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.846 -0.582 0.047 1.00 0.00 C ATOM 0 H LEU A 42 74.728 3.612 0.019 1.00 0.00 H new ATOM 0 HA LEU A 42 72.014 3.034 0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.112 2.484 -1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.252 1.437 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 42 71.322 0.941 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 42 71.177 -0.434 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.454 1.279 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.799 0.117 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 42 72.133 -1.405 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.754 -0.852 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 42 73.089 -0.382 1.091 1.00 0.00 H new ATOM 609 N GLY A 43 74.363 1.499 2.482 1.00 0.00 N ATOM 610 CA GLY A 43 74.571 0.609 3.660 1.00 0.00 C ATOM 611 C GLY A 43 74.245 1.373 4.944 1.00 0.00 C ATOM 612 O GLY A 43 73.744 0.814 5.899 1.00 0.00 O ATOM 0 H GLY A 43 75.209 1.930 2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 43 73.936 -0.273 3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.603 0.258 3.686 1.00 0.00 H new ATOM 616 N THR A 44 74.529 2.647 4.977 1.00 0.00 N ATOM 617 CA THR A 44 74.235 3.444 6.202 1.00 0.00 C ATOM 618 C THR A 44 72.730 3.700 6.322 1.00 0.00 C ATOM 619 O THR A 44 72.162 3.627 7.393 1.00 0.00 O ATOM 620 CB THR A 44 74.989 4.760 6.008 1.00 0.00 C ATOM 621 OG1 THR A 44 76.382 4.536 6.180 1.00 0.00 O ATOM 622 CG2 THR A 44 74.504 5.785 7.033 1.00 0.00 C ATOM 0 H THR A 44 74.951 3.170 4.210 1.00 0.00 H new ATOM 0 HA THR A 44 74.541 2.928 7.112 1.00 0.00 H new ATOM 0 HB THR A 44 74.803 5.140 5.003 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.867 5.378 6.054 1.00 0.00 H new ATOM 0 HG21 THR A 44 75.043 6.722 6.893 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.436 5.957 6.899 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.687 5.408 8.039 1.00 0.00 H new ATOM 630 N VAL A 45 72.081 4.004 5.231 1.00 0.00 N ATOM 631 CA VAL A 45 70.615 4.267 5.287 1.00 0.00 C ATOM 632 C VAL A 45 69.872 3.031 5.804 1.00 0.00 C ATOM 633 O VAL A 45 68.998 3.127 6.641 1.00 0.00 O ATOM 634 CB VAL A 45 70.210 4.572 3.844 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.571 3.388 2.947 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.701 4.815 3.780 1.00 0.00 C ATOM 0 H VAL A 45 72.502 4.081 4.305 1.00 0.00 H new ATOM 0 HA VAL A 45 70.370 5.088 5.961 1.00 0.00 H new ATOM 0 HB VAL A 45 70.739 5.461 3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 45 70.281 3.608 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.646 3.212 2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 45 70.044 2.498 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.411 5.033 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 45 68.174 3.925 4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.441 5.661 4.417 1.00 0.00 H new ATOM 646 N MET A 46 70.214 1.872 5.312 1.00 0.00 N ATOM 647 CA MET A 46 69.526 0.633 5.776 1.00 0.00 C ATOM 648 C MET A 46 70.110 0.170 7.115 1.00 0.00 C ATOM 649 O MET A 46 69.410 -0.347 7.962 1.00 0.00 O ATOM 650 CB MET A 46 69.798 -0.403 4.685 1.00 0.00 C ATOM 651 CG MET A 46 71.294 -0.712 4.634 1.00 0.00 C ATOM 652 SD MET A 46 71.610 -1.945 3.347 1.00 0.00 S ATOM 653 CE MET A 46 70.470 -3.209 3.962 1.00 0.00 C ATOM 0 H MET A 46 70.939 1.729 4.609 1.00 0.00 H new ATOM 0 HA MET A 46 68.459 0.789 5.934 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.235 -1.314 4.886 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.461 -0.026 3.719 1.00 0.00 H new ATOM 0 HG2 MET A 46 71.858 0.198 4.428 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.633 -1.084 5.601 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.776 -4.187 3.591 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.485 -3.214 5.052 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.461 -2.989 3.614 1.00 0.00 H new ATOM 663 N ARG A 47 71.387 0.350 7.311 1.00 0.00 N ATOM 664 CA ARG A 47 72.014 -0.082 8.594 1.00 0.00 C ATOM 665 C ARG A 47 71.663 0.902 9.713 1.00 0.00 C ATOM 666 O ARG A 47 71.440 0.516 10.844 1.00 0.00 O ATOM 667 CB ARG A 47 73.519 -0.072 8.323 1.00 0.00 C ATOM 668 CG ARG A 47 74.259 -0.665 9.523 1.00 0.00 C ATOM 669 CD ARG A 47 75.725 -0.901 9.154 1.00 0.00 C ATOM 670 NE ARG A 47 76.364 0.441 9.253 1.00 0.00 N ATOM 671 CZ ARG A 47 77.424 0.714 8.541 1.00 0.00 C ATOM 672 NH1 ARG A 47 77.293 1.139 7.315 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.613 0.558 9.056 1.00 0.00 N ATOM 0 H ARG A 47 72.024 0.777 6.639 1.00 0.00 H new ATOM 0 HA ARG A 47 71.664 -1.063 8.914 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.741 -0.648 7.425 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.859 0.947 8.140 1.00 0.00 H new ATOM 0 HG2 ARG A 47 74.192 0.011 10.375 1.00 0.00 H new ATOM 0 HG3 ARG A 47 73.793 -1.604 9.823 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.194 -1.613 9.833 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.819 -1.310 8.148 1.00 0.00 H new ATOM 0 HE ARG A 47 75.973 1.147 9.877 1.00 0.00 H new ATOM 0 HH11 ARG A 47 76.363 1.258 6.913 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.120 1.353 6.758 1.00 0.00 H new ATOM 0 HH21 ARG A 47 78.714 0.223 10.014 1.00 0.00 H new ATOM 0 HH22 ARG A 47 79.441 0.771 8.500 1.00 0.00 H new ATOM 687 N MET A 48 71.615 2.170 9.408 1.00 0.00 N ATOM 688 CA MET A 48 71.279 3.177 10.455 1.00 0.00 C ATOM 689 C MET A 48 69.778 3.140 10.758 1.00 0.00 C ATOM 690 O MET A 48 69.299 3.815 11.647 1.00 0.00 O ATOM 691 CB MET A 48 71.673 4.525 9.849 1.00 0.00 C ATOM 692 CG MET A 48 71.462 5.632 10.882 1.00 0.00 C ATOM 693 SD MET A 48 72.740 5.521 12.159 1.00 0.00 S ATOM 694 CE MET A 48 72.014 6.713 13.311 1.00 0.00 C ATOM 0 H MET A 48 71.794 2.552 8.479 1.00 0.00 H new ATOM 0 HA MET A 48 71.798 2.987 11.395 1.00 0.00 H new ATOM 0 HB2 MET A 48 72.716 4.502 9.533 1.00 0.00 H new ATOM 0 HB3 MET A 48 71.075 4.724 8.960 1.00 0.00 H new ATOM 0 HG2 MET A 48 71.501 6.608 10.398 1.00 0.00 H new ATOM 0 HG3 MET A 48 70.474 5.539 11.333 1.00 0.00 H new ATOM 0 HE1 MET A 48 72.651 6.804 14.191 1.00 0.00 H new ATOM 0 HE2 MET A 48 71.928 7.684 12.824 1.00 0.00 H new ATOM 0 HE3 MET A 48 71.025 6.370 13.614 1.00 0.00 H new ATOM 704 N LEU A 49 69.035 2.356 10.027 1.00 0.00 N ATOM 705 CA LEU A 49 67.568 2.277 10.275 1.00 0.00 C ATOM 706 C LEU A 49 67.272 1.256 11.378 1.00 0.00 C ATOM 707 O LEU A 49 66.278 1.345 12.070 1.00 0.00 O ATOM 708 CB LEU A 49 66.964 1.824 8.944 1.00 0.00 C ATOM 709 CG LEU A 49 66.605 3.051 8.104 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.308 2.617 6.667 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.368 3.730 8.697 1.00 0.00 C ATOM 0 H LEU A 49 69.380 1.767 9.269 1.00 0.00 H new ATOM 0 HA LEU A 49 67.153 3.229 10.606 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.674 1.196 8.405 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.075 1.219 9.123 1.00 0.00 H new ATOM 0 HG LEU A 49 67.441 3.750 8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.052 3.491 6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.188 2.132 6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.472 1.918 6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.111 4.605 8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.532 3.030 8.694 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.578 4.039 9.721 1.00 0.00 H new ATOM 723 N GLY A 50 68.131 0.288 11.551 1.00 0.00 N ATOM 724 CA GLY A 50 67.898 -0.732 12.612 1.00 0.00 C ATOM 725 C GLY A 50 68.451 -2.086 12.163 1.00 0.00 C ATOM 726 O GLY A 50 68.600 -2.997 12.953 1.00 0.00 O ATOM 0 H GLY A 50 68.982 0.160 11.004 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.380 -0.422 13.539 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.831 -0.816 12.820 1.00 0.00 H new ATOM 730 N GLN A 51 68.758 -2.228 10.902 1.00 0.00 N ATOM 731 CA GLN A 51 69.301 -3.530 10.412 1.00 0.00 C ATOM 732 C GLN A 51 70.828 -3.465 10.321 1.00 0.00 C ATOM 733 O GLN A 51 71.456 -2.596 10.893 1.00 0.00 O ATOM 734 CB GLN A 51 68.689 -3.727 9.022 1.00 0.00 C ATOM 735 CG GLN A 51 67.218 -3.301 9.035 1.00 0.00 C ATOM 736 CD GLN A 51 66.520 -3.903 10.256 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.910 -4.945 10.742 1.00 0.00 O ATOM 738 NE2 GLN A 51 65.496 -3.283 10.777 1.00 0.00 N ATOM 0 H GLN A 51 68.657 -1.503 10.192 1.00 0.00 H new ATOM 0 HA GLN A 51 69.055 -4.354 11.082 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.240 -3.141 8.286 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.771 -4.772 8.724 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.144 -2.214 9.061 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.725 -3.633 8.121 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.168 -2.408 10.369 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.024 -3.674 11.592 1.00 0.00 H new ATOM 747 N ASN A 52 71.430 -4.377 9.607 1.00 0.00 N ATOM 748 CA ASN A 52 72.916 -4.366 9.481 1.00 0.00 C ATOM 749 C ASN A 52 73.349 -5.167 8.250 1.00 0.00 C ATOM 750 O ASN A 52 73.460 -6.375 8.302 1.00 0.00 O ATOM 751 CB ASN A 52 73.426 -5.030 10.761 1.00 0.00 C ATOM 752 CG ASN A 52 74.795 -4.452 11.125 1.00 0.00 C ATOM 753 OD1 ASN A 52 74.949 -3.826 12.155 1.00 0.00 O ATOM 754 ND2 ASN A 52 75.804 -4.639 10.319 1.00 0.00 N ATOM 0 H ASN A 52 70.958 -5.129 9.106 1.00 0.00 H new ATOM 0 HA ASN A 52 73.313 -3.358 9.358 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.721 -4.864 11.575 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.501 -6.108 10.619 1.00 0.00 H new ATOM 0 HD21 ASN A 52 76.721 -4.260 10.554 1.00 0.00 H new ATOM 0 HD22 ASN A 52 75.675 -5.164 9.454 1.00 0.00 H new ATOM 761 N PRO A 53 73.578 -4.458 7.178 1.00 0.00 N ATOM 762 CA PRO A 53 74.003 -5.103 5.914 1.00 0.00 C ATOM 763 C PRO A 53 75.469 -5.538 6.005 1.00 0.00 C ATOM 764 O PRO A 53 76.332 -4.766 6.371 1.00 0.00 O ATOM 765 CB PRO A 53 73.831 -4.000 4.874 1.00 0.00 C ATOM 766 CG PRO A 53 73.937 -2.721 5.643 1.00 0.00 C ATOM 767 CD PRO A 53 73.462 -3.002 7.047 1.00 0.00 C ATOM 0 HA PRO A 53 73.431 -6.000 5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.599 -4.062 4.103 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.867 -4.079 4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.966 -2.361 5.650 1.00 0.00 H new ATOM 0 HG3 PRO A 53 73.330 -1.943 5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 53 74.074 -2.485 7.786 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.435 -2.669 7.195 1.00 0.00 H new ATOM 775 N THR A 54 75.757 -6.767 5.674 1.00 0.00 N ATOM 776 CA THR A 54 77.169 -7.243 5.743 1.00 0.00 C ATOM 777 C THR A 54 78.043 -6.440 4.775 1.00 0.00 C ATOM 778 O THR A 54 77.644 -6.139 3.668 1.00 0.00 O ATOM 779 CB THR A 54 77.114 -8.712 5.322 1.00 0.00 C ATOM 780 OG1 THR A 54 76.585 -8.806 4.006 1.00 0.00 O ATOM 781 CG2 THR A 54 76.223 -9.492 6.290 1.00 0.00 C ATOM 0 H THR A 54 75.079 -7.461 5.360 1.00 0.00 H new ATOM 0 HA THR A 54 77.598 -7.121 6.737 1.00 0.00 H new ATOM 0 HB THR A 54 78.119 -9.133 5.341 1.00 0.00 H new ATOM 0 HG1 THR A 54 77.189 -9.339 3.448 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.186 -10.538 5.987 1.00 0.00 H new ATOM 0 HG22 THR A 54 76.631 -9.420 7.298 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.216 -9.074 6.275 1.00 0.00 H new ATOM 789 N LYS A 55 79.232 -6.091 5.185 1.00 0.00 N ATOM 790 CA LYS A 55 80.129 -5.310 4.287 1.00 0.00 C ATOM 791 C LYS A 55 80.142 -5.930 2.888 1.00 0.00 C ATOM 792 O LYS A 55 80.215 -5.238 1.892 1.00 0.00 O ATOM 793 CB LYS A 55 81.514 -5.404 4.929 1.00 0.00 C ATOM 794 CG LYS A 55 82.387 -4.250 4.433 1.00 0.00 C ATOM 795 CD LYS A 55 83.848 -4.705 4.374 1.00 0.00 C ATOM 796 CE LYS A 55 84.681 -3.661 3.625 1.00 0.00 C ATOM 797 NZ LYS A 55 84.837 -2.533 4.585 1.00 0.00 N ATOM 0 H LYS A 55 79.620 -6.313 6.102 1.00 0.00 H new ATOM 0 HA LYS A 55 79.803 -4.276 4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.426 -5.367 6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.978 -6.358 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.055 -3.927 3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 55 82.288 -3.393 5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 55 84.238 -4.841 5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.919 -5.670 3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 55 85.649 -4.066 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 55 84.180 -3.337 2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 84.454 -1.663 4.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 84.321 -2.749 5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.845 -2.398 4.802 1.00 0.00 H new ATOM 811 N GLU A 56 80.071 -7.232 2.805 1.00 0.00 N ATOM 812 CA GLU A 56 80.078 -7.894 1.469 1.00 0.00 C ATOM 813 C GLU A 56 78.790 -7.563 0.712 1.00 0.00 C ATOM 814 O GLU A 56 78.802 -7.324 -0.480 1.00 0.00 O ATOM 815 CB GLU A 56 80.155 -9.392 1.768 1.00 0.00 C ATOM 816 CG GLU A 56 81.349 -10.000 1.030 1.00 0.00 C ATOM 817 CD GLU A 56 82.520 -10.166 2.000 1.00 0.00 C ATOM 818 OE1 GLU A 56 82.279 -10.151 3.196 1.00 0.00 O ATOM 819 OE2 GLU A 56 83.637 -10.305 1.531 1.00 0.00 O ATOM 0 H GLU A 56 80.009 -7.864 3.603 1.00 0.00 H new ATOM 0 HA GLU A 56 80.908 -7.561 0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.256 -9.555 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.233 -9.883 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 56 81.074 -10.966 0.607 1.00 0.00 H new ATOM 0 HG3 GLU A 56 81.640 -9.359 0.198 1.00 0.00 H new ATOM 826 N GLU A 57 77.678 -7.544 1.396 1.00 0.00 N ATOM 827 CA GLU A 57 76.390 -7.225 0.714 1.00 0.00 C ATOM 828 C GLU A 57 76.421 -5.793 0.176 1.00 0.00 C ATOM 829 O GLU A 57 76.018 -5.529 -0.940 1.00 0.00 O ATOM 830 CB GLU A 57 75.322 -7.369 1.797 1.00 0.00 C ATOM 831 CG GLU A 57 74.920 -8.839 1.930 1.00 0.00 C ATOM 832 CD GLU A 57 74.277 -9.314 0.625 1.00 0.00 C ATOM 833 OE1 GLU A 57 73.269 -8.745 0.242 1.00 0.00 O ATOM 834 OE2 GLU A 57 74.806 -10.240 0.031 1.00 0.00 O ATOM 0 H GLU A 57 77.605 -7.735 2.395 1.00 0.00 H new ATOM 0 HA GLU A 57 76.197 -7.880 -0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.703 -6.998 2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.451 -6.765 1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.795 -9.447 2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.221 -8.962 2.758 1.00 0.00 H new ATOM 841 N LEU A 58 76.897 -4.864 0.961 1.00 0.00 N ATOM 842 CA LEU A 58 76.953 -3.449 0.493 1.00 0.00 C ATOM 843 C LEU A 58 77.673 -3.371 -0.855 1.00 0.00 C ATOM 844 O LEU A 58 77.119 -2.925 -1.841 1.00 0.00 O ATOM 845 CB LEU A 58 77.745 -2.708 1.569 1.00 0.00 C ATOM 846 CG LEU A 58 77.008 -2.806 2.905 1.00 0.00 C ATOM 847 CD1 LEU A 58 77.636 -1.839 3.908 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.536 -2.442 2.701 1.00 0.00 C ATOM 0 H LEU A 58 77.249 -5.023 1.905 1.00 0.00 H new ATOM 0 HA LEU A 58 75.962 -3.019 0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.743 -3.136 1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.871 -1.663 1.287 1.00 0.00 H new ATOM 0 HG LEU A 58 77.083 -3.824 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 58 77.110 -1.910 4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 58 78.685 -2.096 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 58 77.561 -0.820 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 58 75.009 -2.511 3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 58 75.463 -1.424 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 58 75.086 -3.131 1.986 1.00 0.00 H new ATOM 860 N ASP A 59 78.903 -3.806 -0.907 1.00 0.00 N ATOM 861 CA ASP A 59 79.653 -3.759 -2.195 1.00 0.00 C ATOM 862 C ASP A 59 78.963 -4.650 -3.230 1.00 0.00 C ATOM 863 O ASP A 59 79.156 -4.501 -4.420 1.00 0.00 O ATOM 864 CB ASP A 59 81.046 -4.296 -1.862 1.00 0.00 C ATOM 865 CG ASP A 59 82.102 -3.284 -2.307 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.893 -2.650 -3.328 1.00 0.00 O ATOM 867 OD2 ASP A 59 83.100 -3.157 -1.618 1.00 0.00 O ATOM 0 H ASP A 59 79.420 -4.191 -0.116 1.00 0.00 H new ATOM 0 HA ASP A 59 79.698 -2.755 -2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 59 81.131 -4.479 -0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 59 81.208 -5.251 -2.362 1.00 0.00 H new ATOM 872 N ALA A 60 78.157 -5.574 -2.785 1.00 0.00 N ATOM 873 CA ALA A 60 77.450 -6.474 -3.740 1.00 0.00 C ATOM 874 C ALA A 60 76.149 -5.820 -4.213 1.00 0.00 C ATOM 875 O ALA A 60 75.836 -5.817 -5.387 1.00 0.00 O ATOM 876 CB ALA A 60 77.151 -7.744 -2.943 1.00 0.00 C ATOM 0 H ALA A 60 77.957 -5.745 -1.800 1.00 0.00 H new ATOM 0 HA ALA A 60 78.045 -6.683 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 60 76.629 -8.459 -3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 60 78.086 -8.183 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 60 76.525 -7.497 -2.086 1.00 0.00 H new ATOM 882 N ILE A 61 75.391 -5.263 -3.308 1.00 0.00 N ATOM 883 CA ILE A 61 74.113 -4.607 -3.707 1.00 0.00 C ATOM 884 C ILE A 61 74.402 -3.261 -4.376 1.00 0.00 C ATOM 885 O ILE A 61 73.845 -2.937 -5.406 1.00 0.00 O ATOM 886 CB ILE A 61 73.346 -4.403 -2.400 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.902 -5.761 -1.854 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.114 -3.534 -2.662 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.985 -5.747 -0.326 1.00 0.00 C ATOM 0 H ILE A 61 75.601 -5.234 -2.310 1.00 0.00 H new ATOM 0 HA ILE A 61 73.546 -5.204 -4.421 1.00 0.00 H new ATOM 0 HB ILE A 61 73.991 -3.910 -1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.882 -5.977 -2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.535 -6.552 -2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.567 -3.388 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.428 -2.566 -3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.469 -4.027 -3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.669 -6.714 0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 61 74.012 -5.550 -0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 61 72.333 -4.967 0.067 1.00 0.00 H new ATOM 901 N ILE A 62 75.272 -2.478 -3.802 1.00 0.00 N ATOM 902 CA ILE A 62 75.597 -1.156 -4.409 1.00 0.00 C ATOM 903 C ILE A 62 75.834 -1.315 -5.912 1.00 0.00 C ATOM 904 O ILE A 62 75.133 -0.745 -6.722 1.00 0.00 O ATOM 905 CB ILE A 62 76.879 -0.703 -3.711 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.551 -0.239 -2.291 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.505 0.453 -4.492 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.843 -0.126 -1.480 1.00 0.00 C ATOM 0 H ILE A 62 75.772 -2.695 -2.940 1.00 0.00 H new ATOM 0 HA ILE A 62 74.790 -0.434 -4.286 1.00 0.00 H new ATOM 0 HB ILE A 62 77.581 -1.535 -3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 62 76.042 0.724 -2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.870 -0.945 -1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.419 0.776 -3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.740 0.123 -5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.802 1.285 -4.536 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.610 0.205 -0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.334 -1.099 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.508 0.596 -1.953 1.00 0.00 H new ATOM 920 N GLU A 63 76.813 -2.089 -6.291 1.00 0.00 N ATOM 921 CA GLU A 63 77.086 -2.285 -7.744 1.00 0.00 C ATOM 922 C GLU A 63 75.793 -2.659 -8.474 1.00 0.00 C ATOM 923 O GLU A 63 75.559 -2.248 -9.593 1.00 0.00 O ATOM 924 CB GLU A 63 78.092 -3.434 -7.808 1.00 0.00 C ATOM 925 CG GLU A 63 78.686 -3.516 -9.216 1.00 0.00 C ATOM 926 CD GLU A 63 78.013 -4.648 -9.993 1.00 0.00 C ATOM 927 OE1 GLU A 63 78.209 -5.794 -9.620 1.00 0.00 O ATOM 928 OE2 GLU A 63 77.311 -4.351 -10.945 1.00 0.00 O ATOM 0 H GLU A 63 77.435 -2.594 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 63 77.471 -1.383 -8.219 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.885 -3.278 -7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.603 -4.374 -7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 63 78.544 -2.569 -9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.761 -3.690 -9.159 1.00 0.00 H new ATOM 935 N GLU A 64 74.949 -3.430 -7.844 1.00 0.00 N ATOM 936 CA GLU A 64 73.669 -3.826 -8.499 1.00 0.00 C ATOM 937 C GLU A 64 72.747 -2.610 -8.620 1.00 0.00 C ATOM 938 O GLU A 64 71.979 -2.492 -9.552 1.00 0.00 O ATOM 939 CB GLU A 64 73.059 -4.880 -7.569 1.00 0.00 C ATOM 940 CG GLU A 64 71.548 -4.974 -7.809 1.00 0.00 C ATOM 941 CD GLU A 64 71.052 -6.366 -7.414 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.168 -6.705 -6.247 1.00 0.00 O ATOM 943 OE2 GLU A 64 70.565 -7.070 -8.283 1.00 0.00 O ATOM 0 H GLU A 64 75.090 -3.803 -6.905 1.00 0.00 H new ATOM 0 HA GLU A 64 73.817 -4.214 -9.507 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.526 -5.849 -7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.256 -4.618 -6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 64 71.029 -4.213 -7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.323 -4.781 -8.858 1.00 0.00 H new ATOM 950 N VAL A 65 72.812 -1.710 -7.680 1.00 0.00 N ATOM 951 CA VAL A 65 71.936 -0.507 -7.738 1.00 0.00 C ATOM 952 C VAL A 65 72.752 0.724 -8.149 1.00 0.00 C ATOM 953 O VAL A 65 72.248 1.829 -8.194 1.00 0.00 O ATOM 954 CB VAL A 65 71.393 -0.348 -6.317 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.937 -1.708 -5.788 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.493 0.207 -5.407 1.00 0.00 C ATOM 0 H VAL A 65 73.434 -1.755 -6.873 1.00 0.00 H new ATOM 0 HA VAL A 65 71.135 -0.611 -8.470 1.00 0.00 H new ATOM 0 HB VAL A 65 70.548 0.340 -6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.550 -1.593 -4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 65 70.153 -2.105 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.782 -2.396 -5.778 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.105 0.320 -4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.338 -0.481 -5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.819 1.177 -5.781 1.00 0.00 H new ATOM 966 N ASP A 66 74.013 0.543 -8.434 1.00 0.00 N ATOM 967 CA ASP A 66 74.866 1.702 -8.825 1.00 0.00 C ATOM 968 C ASP A 66 75.082 1.740 -10.343 1.00 0.00 C ATOM 969 O ASP A 66 74.390 2.431 -11.063 1.00 0.00 O ATOM 970 CB ASP A 66 76.194 1.472 -8.104 1.00 0.00 C ATOM 971 CG ASP A 66 77.244 2.445 -8.643 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.870 3.548 -9.006 1.00 0.00 O ATOM 973 OD2 ASP A 66 78.404 2.070 -8.684 1.00 0.00 O ATOM 0 H ASP A 66 74.490 -0.358 -8.413 1.00 0.00 H new ATOM 0 HA ASP A 66 74.405 2.652 -8.556 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.067 1.616 -7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.526 0.444 -8.251 1.00 0.00 H new ATOM 1030 N THR A 72 72.247 6.452 -8.256 1.00 0.00 N ATOM 1031 CA THR A 72 72.738 6.024 -6.915 1.00 0.00 C ATOM 1032 C THR A 72 71.742 5.054 -6.273 1.00 0.00 C ATOM 1033 O THR A 72 71.917 3.852 -6.315 1.00 0.00 O ATOM 1034 CB THR A 72 72.833 7.314 -6.099 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.532 7.855 -5.920 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.711 8.323 -6.840 1.00 0.00 C ATOM 0 HA THR A 72 73.695 5.505 -6.971 1.00 0.00 H new ATOM 0 HB THR A 72 73.274 7.099 -5.126 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.354 7.970 -4.963 1.00 0.00 H new ATOM 0 HG21 THR A 72 73.779 9.242 -6.259 1.00 0.00 H new ATOM 0 HG22 THR A 72 74.709 7.906 -6.977 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.272 8.541 -7.814 1.00 0.00 H new ATOM 1044 N ILE A 73 70.700 5.565 -5.678 1.00 0.00 N ATOM 1045 CA ILE A 73 69.696 4.669 -5.034 1.00 0.00 C ATOM 1046 C ILE A 73 68.329 5.356 -4.976 1.00 0.00 C ATOM 1047 O ILE A 73 68.132 6.307 -4.246 1.00 0.00 O ATOM 1048 CB ILE A 73 70.233 4.422 -3.625 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.199 3.635 -2.817 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.501 5.762 -2.937 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.845 3.110 -1.533 1.00 0.00 C ATOM 0 H ILE A 73 70.499 6.563 -5.609 1.00 0.00 H new ATOM 0 HA ILE A 73 69.558 3.740 -5.587 1.00 0.00 H new ATOM 0 HB ILE A 73 71.160 3.853 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.349 4.273 -2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.815 2.804 -3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.884 5.585 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 73 71.236 6.325 -3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.574 6.332 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 73 69.108 2.550 -0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 73 70.680 2.457 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.207 3.949 -0.939 1.00 0.00 H new ATOM 1063 N ASP A 74 67.382 4.880 -5.737 1.00 0.00 N ATOM 1064 CA ASP A 74 66.028 5.505 -5.722 1.00 0.00 C ATOM 1065 C ASP A 74 65.252 5.046 -4.484 1.00 0.00 C ATOM 1066 O ASP A 74 65.183 3.870 -4.187 1.00 0.00 O ATOM 1067 CB ASP A 74 65.348 5.009 -6.998 1.00 0.00 C ATOM 1068 CG ASP A 74 65.669 5.962 -8.152 1.00 0.00 C ATOM 1069 OD1 ASP A 74 65.899 7.129 -7.882 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.678 5.508 -9.284 1.00 0.00 O ATOM 0 H ASP A 74 67.487 4.086 -6.368 1.00 0.00 H new ATOM 0 HA ASP A 74 66.074 6.593 -5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.691 4.002 -7.238 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.270 4.951 -6.849 1.00 0.00 H new ATOM 1075 N PHE A 75 64.671 5.962 -3.759 1.00 0.00 N ATOM 1076 CA PHE A 75 63.905 5.570 -2.540 1.00 0.00 C ATOM 1077 C PHE A 75 63.031 4.348 -2.831 1.00 0.00 C ATOM 1078 O PHE A 75 63.170 3.312 -2.211 1.00 0.00 O ATOM 1079 CB PHE A 75 63.035 6.782 -2.206 1.00 0.00 C ATOM 1080 CG PHE A 75 62.412 6.590 -0.845 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.359 5.681 -0.679 1.00 0.00 C ATOM 1082 CD2 PHE A 75 62.889 7.317 0.253 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.782 5.500 0.585 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.312 7.136 1.516 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.259 6.228 1.682 1.00 0.00 C ATOM 0 H PHE A 75 64.693 6.962 -3.956 1.00 0.00 H new ATOM 0 HA PHE A 75 64.562 5.301 -1.713 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.637 7.690 -2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.258 6.905 -2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.992 5.120 -1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.702 8.017 0.126 1.00 0.00 H new ATOM 0 HE1 PHE A 75 59.970 4.800 0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 75 62.679 7.697 2.363 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.815 6.089 2.656 1.00 0.00 H new ATOM 1095 N GLU A 76 62.130 4.460 -3.768 1.00 0.00 N ATOM 1096 CA GLU A 76 61.249 3.302 -4.093 1.00 0.00 C ATOM 1097 C GLU A 76 62.099 2.062 -4.383 1.00 0.00 C ATOM 1098 O GLU A 76 61.802 0.975 -3.929 1.00 0.00 O ATOM 1099 CB GLU A 76 60.477 3.730 -5.340 1.00 0.00 C ATOM 1100 CG GLU A 76 61.458 3.978 -6.489 1.00 0.00 C ATOM 1101 CD GLU A 76 60.749 4.741 -7.609 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.013 5.662 -7.299 1.00 0.00 O ATOM 1103 OE2 GLU A 76 60.955 4.389 -8.760 1.00 0.00 O ATOM 0 H GLU A 76 61.966 5.301 -4.322 1.00 0.00 H new ATOM 0 HA GLU A 76 60.581 3.044 -3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 76 59.761 2.958 -5.620 1.00 0.00 H new ATOM 0 HB3 GLU A 76 59.906 4.635 -5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.316 4.548 -6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 76 61.840 3.029 -6.866 1.00 0.00 H new ATOM 1110 N GLU A 77 63.158 2.219 -5.129 1.00 0.00 N ATOM 1111 CA GLU A 77 64.029 1.049 -5.439 1.00 0.00 C ATOM 1112 C GLU A 77 64.833 0.657 -4.196 1.00 0.00 C ATOM 1113 O GLU A 77 65.206 -0.485 -4.019 1.00 0.00 O ATOM 1114 CB GLU A 77 64.961 1.532 -6.552 1.00 0.00 C ATOM 1115 CG GLU A 77 65.658 0.330 -7.193 1.00 0.00 C ATOM 1116 CD GLU A 77 65.098 0.106 -8.598 1.00 0.00 C ATOM 1117 OE1 GLU A 77 63.908 -0.135 -8.709 1.00 0.00 O ATOM 1118 OE2 GLU A 77 65.870 0.180 -9.541 1.00 0.00 O ATOM 0 H GLU A 77 63.458 3.105 -5.537 1.00 0.00 H new ATOM 0 HA GLU A 77 63.458 0.172 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.393 2.080 -7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.702 2.222 -6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.733 0.503 -7.242 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.506 -0.560 -6.583 1.00 0.00 H new ATOM 1125 N PHE A 78 65.098 1.600 -3.333 1.00 0.00 N ATOM 1126 CA PHE A 78 65.874 1.287 -2.099 1.00 0.00 C ATOM 1127 C PHE A 78 65.021 0.451 -1.141 1.00 0.00 C ATOM 1128 O PHE A 78 65.526 -0.366 -0.398 1.00 0.00 O ATOM 1129 CB PHE A 78 66.205 2.649 -1.485 1.00 0.00 C ATOM 1130 CG PHE A 78 66.614 2.474 -0.041 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.775 1.756 0.277 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.834 3.030 0.981 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.153 1.595 1.615 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.213 2.868 2.319 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.372 2.151 2.636 1.00 0.00 C ATOM 0 H PHE A 78 64.811 2.574 -3.429 1.00 0.00 H new ATOM 0 HA PHE A 78 66.774 0.708 -2.307 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.010 3.125 -2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.339 3.308 -1.550 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.378 1.327 -0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.940 3.584 0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.047 1.042 1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.611 3.296 3.106 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.664 2.026 3.668 1.00 0.00 H new ATOM 1145 N LEU A 79 63.729 0.647 -1.154 1.00 0.00 N ATOM 1146 CA LEU A 79 62.851 -0.142 -0.244 1.00 0.00 C ATOM 1147 C LEU A 79 63.282 -1.610 -0.256 1.00 0.00 C ATOM 1148 O LEU A 79 63.271 -2.280 0.757 1.00 0.00 O ATOM 1149 CB LEU A 79 61.441 0.008 -0.817 1.00 0.00 C ATOM 1150 CG LEU A 79 60.699 1.121 -0.073 1.00 0.00 C ATOM 1151 CD1 LEU A 79 60.735 0.846 1.433 1.00 0.00 C ATOM 1152 CD2 LEU A 79 61.372 2.464 -0.362 1.00 0.00 C ATOM 0 H LEU A 79 63.246 1.317 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 79 62.904 0.203 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.493 0.240 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.897 -0.932 -0.722 1.00 0.00 H new ATOM 0 HG LEU A 79 59.663 1.152 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 79 60.206 1.640 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.254 -0.110 1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 79 61.770 0.812 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 79 60.844 3.257 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 79 62.409 2.431 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 79 61.344 2.662 -1.433 1.00 0.00 H new ATOM 1164 N VAL A 80 63.672 -2.110 -1.397 1.00 0.00 N ATOM 1165 CA VAL A 80 64.115 -3.531 -1.475 1.00 0.00 C ATOM 1166 C VAL A 80 65.269 -3.766 -0.499 1.00 0.00 C ATOM 1167 O VAL A 80 65.248 -4.686 0.295 1.00 0.00 O ATOM 1168 CB VAL A 80 64.584 -3.721 -2.919 1.00 0.00 C ATOM 1169 CG1 VAL A 80 65.174 -5.121 -3.085 1.00 0.00 C ATOM 1170 CG2 VAL A 80 63.393 -3.557 -3.867 1.00 0.00 C ATOM 0 H VAL A 80 63.703 -1.596 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 80 63.323 -4.232 -1.212 1.00 0.00 H new ATOM 0 HB VAL A 80 65.344 -2.976 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.508 -5.256 -4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 80 66.021 -5.241 -2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 80 64.414 -5.866 -2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.726 -3.692 -4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 80 62.634 -4.303 -3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 80 62.970 -2.559 -3.751 1.00 0.00 H new ATOM 1180 N MET A 81 66.274 -2.935 -0.548 1.00 0.00 N ATOM 1181 CA MET A 81 67.428 -3.105 0.379 1.00 0.00 C ATOM 1182 C MET A 81 66.942 -3.097 1.831 1.00 0.00 C ATOM 1183 O MET A 81 67.595 -3.610 2.718 1.00 0.00 O ATOM 1184 CB MET A 81 68.332 -1.901 0.109 1.00 0.00 C ATOM 1185 CG MET A 81 69.470 -2.316 -0.824 1.00 0.00 C ATOM 1186 SD MET A 81 68.780 -2.969 -2.364 1.00 0.00 S ATOM 1187 CE MET A 81 68.181 -1.397 -3.029 1.00 0.00 C ATOM 0 H MET A 81 66.346 -2.146 -1.190 1.00 0.00 H new ATOM 0 HA MET A 81 67.950 -4.049 0.223 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.755 -1.093 -0.341 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.737 -1.519 1.046 1.00 0.00 H new ATOM 0 HG2 MET A 81 70.112 -1.461 -1.035 1.00 0.00 H new ATOM 0 HG3 MET A 81 70.092 -3.071 -0.343 1.00 0.00 H new ATOM 0 HE1 MET A 81 68.372 -1.359 -4.102 1.00 0.00 H new ATOM 0 HE2 MET A 81 67.110 -1.310 -2.848 1.00 0.00 H new ATOM 0 HE3 MET A 81 68.700 -0.573 -2.539 1.00 0.00 H new ATOM 1197 N MET A 82 65.799 -2.515 2.080 1.00 0.00 N ATOM 1198 CA MET A 82 65.273 -2.473 3.474 1.00 0.00 C ATOM 1199 C MET A 82 64.629 -3.814 3.839 1.00 0.00 C ATOM 1200 O MET A 82 65.111 -4.532 4.692 1.00 0.00 O ATOM 1201 CB MET A 82 64.226 -1.359 3.469 1.00 0.00 C ATOM 1202 CG MET A 82 64.789 -0.132 2.749 1.00 0.00 C ATOM 1203 SD MET A 82 63.801 1.324 3.173 1.00 0.00 S ATOM 1204 CE MET A 82 64.029 1.240 4.967 1.00 0.00 C ATOM 0 H MET A 82 65.208 -2.068 1.379 1.00 0.00 H new ATOM 0 HA MET A 82 66.060 -2.290 4.206 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.318 -1.701 2.972 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.951 -1.099 4.491 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.829 0.025 3.035 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.776 -0.292 1.671 1.00 0.00 H new ATOM 0 HE1 MET A 82 63.936 2.239 5.393 1.00 0.00 H new ATOM 0 HE2 MET A 82 63.270 0.589 5.400 1.00 0.00 H new ATOM 0 HE3 MET A 82 65.019 0.841 5.190 1.00 0.00 H new ATOM 1214 N VAL A 83 63.543 -4.157 3.202 1.00 0.00 N ATOM 1215 CA VAL A 83 62.873 -5.451 3.518 1.00 0.00 C ATOM 1216 C VAL A 83 63.823 -6.620 3.244 1.00 0.00 C ATOM 1217 O VAL A 83 63.855 -7.589 3.974 1.00 0.00 O ATOM 1218 CB VAL A 83 61.659 -5.514 2.590 1.00 0.00 C ATOM 1219 CG1 VAL A 83 62.104 -5.299 1.142 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.994 -6.887 2.718 1.00 0.00 C ATOM 0 H VAL A 83 63.091 -3.599 2.478 1.00 0.00 H new ATOM 0 HA VAL A 83 62.583 -5.517 4.567 1.00 0.00 H new ATOM 0 HB VAL A 83 60.950 -4.734 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 83 61.236 -5.345 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 83 62.579 -4.323 1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 83 62.814 -6.077 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.128 -6.935 2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.706 -7.664 2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 83 60.673 -7.041 3.748 1.00 0.00 H new ATOM 1230 N ARG A 84 64.601 -6.534 2.199 1.00 0.00 N ATOM 1231 CA ARG A 84 65.547 -7.640 1.886 1.00 0.00 C ATOM 1232 C ARG A 84 66.483 -7.877 3.075 1.00 0.00 C ATOM 1233 O ARG A 84 66.787 -9.001 3.424 1.00 0.00 O ATOM 1234 CB ARG A 84 66.328 -7.158 0.664 1.00 0.00 C ATOM 1235 CG ARG A 84 65.394 -7.108 -0.547 1.00 0.00 C ATOM 1236 CD ARG A 84 65.169 -8.526 -1.077 1.00 0.00 C ATOM 1237 NE ARG A 84 64.197 -8.370 -2.194 1.00 0.00 N ATOM 1238 CZ ARG A 84 63.189 -9.191 -2.300 1.00 0.00 C ATOM 1239 NH1 ARG A 84 62.059 -8.917 -1.709 1.00 0.00 N ATOM 1240 NH2 ARG A 84 63.311 -10.286 -3.000 1.00 0.00 N ATOM 0 H ARG A 84 64.622 -5.747 1.551 1.00 0.00 H new ATOM 0 HA ARG A 84 65.039 -8.584 1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.749 -6.171 0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 84 67.164 -7.828 0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.442 -6.658 -0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.826 -6.481 -1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 84 66.102 -8.970 -1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 84 64.775 -9.180 -0.299 1.00 0.00 H new ATOM 0 HE ARG A 84 64.319 -7.621 -2.876 1.00 0.00 H new ATOM 0 HH11 ARG A 84 61.963 -8.060 -1.164 1.00 0.00 H new ATOM 0 HH12 ARG A 84 61.271 -9.559 -1.792 1.00 0.00 H new ATOM 0 HH21 ARG A 84 64.194 -10.499 -3.464 1.00 0.00 H new ATOM 0 HH22 ARG A 84 62.523 -10.928 -3.083 1.00 0.00 H new ATOM 1254 N GLN A 85 66.935 -6.827 3.704 1.00 0.00 N ATOM 1255 CA GLN A 85 67.840 -6.994 4.875 1.00 0.00 C ATOM 1256 C GLN A 85 67.013 -7.292 6.126 1.00 0.00 C ATOM 1257 O GLN A 85 67.381 -8.109 6.947 1.00 0.00 O ATOM 1258 CB GLN A 85 68.565 -5.653 5.015 1.00 0.00 C ATOM 1259 CG GLN A 85 69.613 -5.751 6.126 1.00 0.00 C ATOM 1260 CD GLN A 85 70.659 -6.803 5.750 1.00 0.00 C ATOM 1261 OE1 GLN A 85 70.689 -7.272 4.631 1.00 0.00 O ATOM 1262 NE2 GLN A 85 71.523 -7.195 6.645 1.00 0.00 N ATOM 0 H GLN A 85 66.717 -5.862 3.458 1.00 0.00 H new ATOM 0 HA GLN A 85 68.541 -7.818 4.747 1.00 0.00 H new ATOM 0 HB2 GLN A 85 69.043 -5.386 4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.850 -4.863 5.244 1.00 0.00 H new ATOM 0 HG2 GLN A 85 70.092 -4.783 6.275 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.135 -6.018 7.069 1.00 0.00 H new ATOM 0 HE21 GLN A 85 71.498 -6.801 7.585 1.00 0.00 H new ATOM 0 HE22 GLN A 85 72.224 -7.896 6.405 1.00 0.00 H new ATOM 1271 N MET A 86 65.893 -6.639 6.270 1.00 0.00 N ATOM 1272 CA MET A 86 65.034 -6.890 7.461 1.00 0.00 C ATOM 1273 C MET A 86 64.352 -8.253 7.330 1.00 0.00 C ATOM 1274 O MET A 86 63.892 -8.823 8.299 1.00 0.00 O ATOM 1275 CB MET A 86 63.998 -5.765 7.446 1.00 0.00 C ATOM 1276 CG MET A 86 64.219 -4.854 8.654 1.00 0.00 C ATOM 1277 SD MET A 86 62.633 -4.536 9.465 1.00 0.00 S ATOM 1278 CE MET A 86 62.025 -3.299 8.293 1.00 0.00 C ATOM 0 H MET A 86 65.536 -5.943 5.615 1.00 0.00 H new ATOM 0 HA MET A 86 65.602 -6.904 8.391 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.082 -5.191 6.523 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.991 -6.182 7.471 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.911 -5.322 9.354 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.673 -3.915 8.337 1.00 0.00 H new ATOM 0 HE1 MET A 86 61.038 -2.956 8.605 1.00 0.00 H new ATOM 0 HE2 MET A 86 62.712 -2.453 8.268 1.00 0.00 H new ATOM 0 HE3 MET A 86 61.958 -3.741 7.299 1.00 0.00 H new ATOM 1288 N LYS A 87 64.287 -8.781 6.138 1.00 0.00 N ATOM 1289 CA LYS A 87 63.639 -10.110 5.948 1.00 0.00 C ATOM 1290 C LYS A 87 64.194 -11.105 6.968 1.00 0.00 C ATOM 1291 O LYS A 87 63.517 -12.024 7.387 1.00 0.00 O ATOM 1292 CB LYS A 87 64.009 -10.535 4.527 1.00 0.00 C ATOM 1293 CG LYS A 87 62.965 -10.001 3.545 1.00 0.00 C ATOM 1294 CD LYS A 87 62.307 -11.171 2.810 1.00 0.00 C ATOM 1295 CE LYS A 87 62.100 -10.800 1.340 1.00 0.00 C ATOM 1296 NZ LYS A 87 61.283 -11.909 0.775 1.00 0.00 N ATOM 0 H LYS A 87 64.654 -8.351 5.289 1.00 0.00 H new ATOM 0 HA LYS A 87 62.559 -10.071 6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.996 -10.153 4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 87 64.061 -11.622 4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.211 -9.423 4.079 1.00 0.00 H new ATOM 0 HG3 LYS A 87 63.435 -9.327 2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 87 62.933 -12.060 2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 87 61.350 -11.413 3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 87 61.588 -9.843 1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 87 63.053 -10.706 0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 61.099 -11.726 -0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 61.799 -12.806 0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 60.379 -11.970 1.286 1.00 0.00 H new ATOM 1310 N GLU A 88 65.421 -10.925 7.371 1.00 0.00 N ATOM 1311 CA GLU A 88 66.022 -11.857 8.368 1.00 0.00 C ATOM 1312 C GLU A 88 65.917 -11.261 9.775 1.00 0.00 C ATOM 1313 O GLU A 88 65.749 -11.969 10.748 1.00 0.00 O ATOM 1314 CB GLU A 88 67.485 -11.996 7.949 1.00 0.00 C ATOM 1315 CG GLU A 88 67.880 -13.475 7.959 1.00 0.00 C ATOM 1316 CD GLU A 88 69.134 -13.675 7.108 1.00 0.00 C ATOM 1317 OE1 GLU A 88 69.319 -12.914 6.172 1.00 0.00 O ATOM 1318 OE2 GLU A 88 69.889 -14.586 7.406 1.00 0.00 O ATOM 0 H GLU A 88 66.034 -10.174 7.054 1.00 0.00 H new ATOM 0 HA GLU A 88 65.515 -12.821 8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.631 -11.576 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.124 -11.433 8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.065 -13.806 8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.063 -14.083 7.570 1.00 0.00 H new ATOM 1325 N ASP A 89 66.012 -9.964 9.890 1.00 0.00 N ATOM 1326 CA ASP A 89 65.916 -9.327 11.235 1.00 0.00 C ATOM 1327 C ASP A 89 64.447 -9.174 11.642 1.00 0.00 C ATOM 1328 O ASP A 89 64.119 -9.107 12.810 1.00 0.00 O ATOM 1329 CB ASP A 89 66.573 -7.955 11.070 1.00 0.00 C ATOM 1330 CG ASP A 89 68.086 -8.128 10.932 1.00 0.00 C ATOM 1331 OD1 ASP A 89 68.662 -8.818 11.758 1.00 0.00 O ATOM 1332 OD2 ASP A 89 68.645 -7.567 10.004 1.00 0.00 O ATOM 0 H ASP A 89 66.152 -9.319 9.112 1.00 0.00 H new ATOM 0 HA ASP A 89 66.401 -9.920 12.010 1.00 0.00 H new ATOM 0 HB2 ASP A 89 66.172 -7.451 10.190 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.345 -7.325 11.930 1.00 0.00 H new ATOM 1337 N ALA A 90 63.560 -9.120 10.685 1.00 0.00 N ATOM 1338 CA ALA A 90 62.113 -8.973 11.016 1.00 0.00 C ATOM 1339 C ALA A 90 61.518 -10.330 11.404 1.00 0.00 C ATOM 1340 O ALA A 90 60.344 -10.536 11.146 1.00 0.00 O ATOM 1341 CB ALA A 90 61.465 -8.452 9.733 1.00 0.00 C ATOM 1342 OXT ALA A 90 62.248 -11.140 11.951 1.00 0.00 O ATOM 0 H ALA A 90 63.774 -9.171 9.689 1.00 0.00 H new ATOM 0 HA ALA A 90 61.948 -8.301 11.859 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.396 -8.317 9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.914 -7.497 9.460 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.623 -9.170 8.928 1.00 0.00 H new