USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 388 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 30 GLN : amide:sc= -1.07 K(o=-1.8,f=-0.11) USER MOD Set 1.2: A 34 ASN : amide:sc= -0.721 K(o=-1.8,f=-0.11) USER MOD Single : A 6 GLN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.873 K(o=-0.87,f=0) USER MOD Single : A 23 SER OG : rot -39:sc= 0.134 USER MOD Single : A 24 GLN : amide:sc=-0.00261 X(o=-0.0026,f=-0.044) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00816 USER MOD Single : A 27 ASN : amide:sc= -0.144 K(o=-0.14,f=-0.68) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -144:sc= 0 (180deg=-0.000918) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 4 -21.075 -3.068 4.425 1.00 0.00 N ATOM 37 CA LEU A 4 -20.177 -3.353 3.319 1.00 0.00 C ATOM 38 C LEU A 4 -20.686 -2.650 2.060 1.00 0.00 C ATOM 39 O LEU A 4 -19.895 -2.202 1.231 1.00 0.00 O ATOM 40 CB LEU A 4 -19.996 -4.864 3.150 1.00 0.00 C ATOM 41 CG LEU A 4 -18.563 -5.386 3.281 1.00 0.00 C ATOM 42 CD1 LEU A 4 -17.566 -4.420 2.640 1.00 0.00 C ATOM 43 CD2 LEU A 4 -18.220 -5.680 4.743 1.00 0.00 C ATOM 0 HA LEU A 4 -19.182 -2.958 3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.615 -5.369 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -20.377 -5.148 2.169 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.491 -6.328 2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.556 -4.815 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.800 -4.305 1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -17.630 -3.450 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -17.197 -6.050 4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.315 -4.766 5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -18.904 -6.434 5.133 1.00 0.00 H new ATOM 54 N ILE A 5 -22.005 -2.577 1.954 1.00 0.00 N ATOM 55 CA ILE A 5 -22.630 -1.936 0.809 1.00 0.00 C ATOM 56 C ILE A 5 -22.200 -0.469 0.753 1.00 0.00 C ATOM 57 O ILE A 5 -22.026 0.090 -0.329 1.00 0.00 O ATOM 58 CB ILE A 5 -24.147 -2.131 0.849 1.00 0.00 C ATOM 59 CG1 ILE A 5 -24.505 -3.575 1.202 1.00 0.00 C ATOM 60 CG2 ILE A 5 -24.791 -1.685 -0.466 1.00 0.00 C ATOM 61 CD1 ILE A 5 -23.647 -4.564 0.409 1.00 0.00 C ATOM 0 H ILE A 5 -22.658 -2.951 2.642 1.00 0.00 H new ATOM 0 HA ILE A 5 -22.296 -2.402 -0.118 1.00 0.00 H new ATOM 0 HB ILE A 5 -24.553 -1.498 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -24.361 -3.738 2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -25.560 -3.753 0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -25.869 -1.834 -0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -24.578 -0.629 -0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.384 -2.274 -1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -23.923 -5.583 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -23.812 -4.415 -0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -22.595 -4.399 0.640 1.00 0.00 H new ATOM 72 N GLN A 6 -22.039 0.114 1.932 1.00 0.00 N ATOM 73 CA GLN A 6 -21.632 1.504 2.031 1.00 0.00 C ATOM 74 C GLN A 6 -20.246 1.697 1.414 1.00 0.00 C ATOM 75 O GLN A 6 -20.066 2.534 0.531 1.00 0.00 O ATOM 76 CB GLN A 6 -21.656 1.981 3.486 1.00 0.00 C ATOM 77 CG GLN A 6 -22.947 2.743 3.791 1.00 0.00 C ATOM 78 CD GLN A 6 -22.682 3.910 4.744 1.00 0.00 C ATOM 79 OE1 GLN A 6 -23.080 3.908 5.896 1.00 0.00 O ATOM 80 NE2 GLN A 6 -21.990 4.906 4.199 1.00 0.00 N ATOM 0 H GLN A 6 -22.183 -0.352 2.828 1.00 0.00 H new ATOM 0 HA GLN A 6 -22.345 2.111 1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.568 1.125 4.155 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -20.796 2.624 3.676 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -23.380 3.117 2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.677 2.066 4.234 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -21.686 4.844 3.227 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.763 5.732 4.753 1.00 0.00 H new ATOM 87 N VAL A 7 -19.301 0.909 1.904 1.00 0.00 N ATOM 88 CA VAL A 7 -17.935 0.982 1.413 1.00 0.00 C ATOM 89 C VAL A 7 -17.901 0.540 -0.052 1.00 0.00 C ATOM 90 O VAL A 7 -17.148 1.091 -0.853 1.00 0.00 O ATOM 91 CB VAL A 7 -17.011 0.155 2.308 1.00 0.00 C ATOM 92 CG1 VAL A 7 -17.473 -1.301 2.377 1.00 0.00 C ATOM 93 CG2 VAL A 7 -15.560 0.248 1.833 1.00 0.00 C ATOM 0 H VAL A 7 -19.454 0.216 2.637 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.569 2.008 1.453 1.00 0.00 H new ATOM 0 HB VAL A 7 -17.061 0.570 3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.799 -1.867 3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -18.483 -1.343 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -17.467 -1.732 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.924 -0.349 2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.486 -0.128 0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.234 1.288 1.861 1.00 0.00 H new ATOM 103 N ARG A 8 -18.725 -0.451 -0.357 1.00 0.00 N ATOM 104 CA ARG A 8 -18.800 -0.974 -1.710 1.00 0.00 C ATOM 105 C ARG A 8 -19.406 0.071 -2.650 1.00 0.00 C ATOM 106 O ARG A 8 -18.863 0.334 -3.722 1.00 0.00 O ATOM 107 CB ARG A 8 -19.645 -2.248 -1.764 1.00 0.00 C ATOM 108 CG ARG A 8 -18.834 -3.463 -1.308 1.00 0.00 C ATOM 109 CD ARG A 8 -19.167 -4.694 -2.154 1.00 0.00 C ATOM 110 NE ARG A 8 -19.390 -5.865 -1.278 1.00 0.00 N ATOM 111 CZ ARG A 8 -20.149 -6.929 -1.616 1.00 0.00 C ATOM 112 NH1 ARG A 8 -20.766 -6.978 -2.816 1.00 0.00 N ATOM 113 NH2 ARG A 8 -20.279 -7.922 -0.755 1.00 0.00 N ATOM 0 H ARG A 8 -19.347 -0.906 0.311 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.785 -1.212 -2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.523 -2.133 -1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -20.005 -2.407 -2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -17.769 -3.243 -1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -19.043 -3.671 -0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.057 -4.503 -2.754 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -18.353 -4.899 -2.849 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.942 -5.869 -0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.661 -6.207 -3.476 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -21.338 -7.786 -3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -19.810 -7.878 0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -20.849 -8.733 -0.995 1.00 0.00 H new ATOM 123 N ASP A 9 -20.520 0.638 -2.214 1.00 0.00 N ATOM 124 CA ASP A 9 -21.205 1.647 -3.003 1.00 0.00 C ATOM 125 C ASP A 9 -20.258 2.823 -3.251 1.00 0.00 C ATOM 126 O ASP A 9 -20.092 3.263 -4.387 1.00 0.00 O ATOM 127 CB ASP A 9 -22.437 2.178 -2.269 1.00 0.00 C ATOM 128 CG ASP A 9 -23.388 3.020 -3.123 1.00 0.00 C ATOM 129 OD1 ASP A 9 -22.956 3.912 -3.868 1.00 0.00 O ATOM 130 OD2 ASP A 9 -24.637 2.724 -3.001 1.00 0.00 O ATOM 0 H ASP A 9 -20.966 0.418 -1.324 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.515 1.188 -3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -22.991 1.332 -1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.105 2.779 -1.422 1.00 0.00 H new ATOM 135 N LEU A 10 -19.662 3.300 -2.168 1.00 0.00 N ATOM 136 CA LEU A 10 -18.737 4.416 -2.253 1.00 0.00 C ATOM 137 C LEU A 10 -17.582 4.046 -3.188 1.00 0.00 C ATOM 138 O LEU A 10 -17.261 4.796 -4.109 1.00 0.00 O ATOM 139 CB LEU A 10 -18.282 4.844 -0.856 1.00 0.00 C ATOM 140 CG LEU A 10 -18.929 6.115 -0.301 1.00 0.00 C ATOM 141 CD1 LEU A 10 -18.750 7.288 -1.267 1.00 0.00 C ATOM 142 CD2 LEU A 10 -20.399 5.876 0.046 1.00 0.00 C ATOM 0 H LEU A 10 -19.802 2.933 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.231 5.287 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.482 4.026 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.202 4.988 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.420 6.381 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.219 8.179 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.687 7.475 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.216 7.047 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.834 6.795 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -20.940 5.572 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -20.472 5.090 0.798 1.00 0.00 H new ATOM 153 N LEU A 11 -16.992 2.892 -2.919 1.00 0.00 N ATOM 154 CA LEU A 11 -15.882 2.413 -3.724 1.00 0.00 C ATOM 155 C LEU A 11 -16.312 2.351 -5.192 1.00 0.00 C ATOM 156 O LEU A 11 -15.476 2.432 -6.091 1.00 0.00 O ATOM 157 CB LEU A 11 -15.359 1.083 -3.181 1.00 0.00 C ATOM 158 CG LEU A 11 -14.254 1.177 -2.125 1.00 0.00 C ATOM 159 CD1 LEU A 11 -13.790 -0.214 -1.692 1.00 0.00 C ATOM 160 CD2 LEU A 11 -13.093 2.039 -2.624 1.00 0.00 C ATOM 0 H LEU A 11 -17.262 2.274 -2.154 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.043 3.106 -3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.197 0.533 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -14.985 0.493 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.665 1.668 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.005 -0.119 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.631 -0.763 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.402 -0.754 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.321 2.090 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.675 1.598 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.454 3.044 -2.843 1.00 0.00 H new ATOM 171 N ALA A 12 -17.614 2.208 -5.389 1.00 0.00 N ATOM 172 CA ALA A 12 -18.164 2.133 -6.731 1.00 0.00 C ATOM 173 C ALA A 12 -18.439 3.548 -7.244 1.00 0.00 C ATOM 174 O ALA A 12 -17.886 3.961 -8.263 1.00 0.00 O ATOM 175 CB ALA A 12 -19.422 1.263 -6.720 1.00 0.00 C ATOM 0 H ALA A 12 -18.304 2.142 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.452 1.667 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.834 1.207 -7.727 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.168 0.260 -6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.161 1.701 -6.049 1.00 0.00 H new ATOM 181 N LEU A 13 -19.292 4.253 -6.515 1.00 0.00 N ATOM 182 CA LEU A 13 -19.647 5.613 -6.883 1.00 0.00 C ATOM 183 C LEU A 13 -18.378 6.465 -6.950 1.00 0.00 C ATOM 184 O LEU A 13 -18.051 7.018 -8.000 1.00 0.00 O ATOM 185 CB LEU A 13 -20.710 6.165 -5.932 1.00 0.00 C ATOM 186 CG LEU A 13 -22.159 5.798 -6.259 1.00 0.00 C ATOM 187 CD1 LEU A 13 -22.297 4.299 -6.530 1.00 0.00 C ATOM 188 CD2 LEU A 13 -23.107 6.271 -5.156 1.00 0.00 C ATOM 0 H LEU A 13 -19.748 3.907 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.099 5.635 -7.875 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.486 5.814 -4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -20.626 7.252 -5.917 1.00 0.00 H new ATOM 0 HG LEU A 13 -22.445 6.318 -7.173 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -23.336 4.065 -6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -21.667 4.023 -7.376 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -21.986 3.740 -5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -24.130 5.997 -5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -22.832 5.799 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -23.036 7.354 -5.055 1.00 0.00 H new ATOM 199 N ARG A 14 -17.697 6.546 -5.815 1.00 0.00 N ATOM 200 CA ARG A 14 -16.472 7.323 -5.732 1.00 0.00 C ATOM 201 C ARG A 14 -15.329 6.587 -6.434 1.00 0.00 C ATOM 202 O ARG A 14 -14.242 7.137 -6.600 1.00 0.00 O ATOM 203 CB ARG A 14 -16.083 7.583 -4.275 1.00 0.00 C ATOM 204 CG ARG A 14 -16.973 8.664 -3.656 1.00 0.00 C ATOM 205 CD ARG A 14 -18.416 8.535 -4.147 1.00 0.00 C ATOM 206 NE ARG A 14 -19.261 9.571 -3.515 1.00 0.00 N ATOM 207 CZ ARG A 14 -19.372 10.838 -3.967 1.00 0.00 C ATOM 208 NH1 ARG A 14 -18.691 11.236 -5.063 1.00 0.00 N ATOM 209 NH2 ARG A 14 -20.157 11.682 -3.323 1.00 0.00 N ATOM 0 H ARG A 14 -17.971 6.087 -4.946 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.651 8.279 -6.225 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.172 6.661 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.039 7.892 -4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -16.946 8.583 -2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.585 9.650 -3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.450 8.638 -5.232 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -18.802 7.544 -3.909 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.794 9.312 -2.685 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.088 10.577 -5.555 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.780 12.195 -5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -20.669 11.373 -2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -20.252 12.643 -3.652 1.00 0.00 H new ATOM 219 N GLY A 15 -15.614 5.354 -6.826 1.00 0.00 N ATOM 220 CA GLY A 15 -14.623 4.538 -7.507 1.00 0.00 C ATOM 221 C GLY A 15 -13.470 4.178 -6.568 1.00 0.00 C ATOM 222 O GLY A 15 -13.687 3.915 -5.385 1.00 0.00 O ATOM 0 H GLY A 15 -16.517 4.900 -6.685 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.091 3.627 -7.880 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.237 5.076 -8.373 1.00 0.00 H new ATOM 226 N ARG A 16 -12.270 4.180 -7.128 1.00 0.00 N ATOM 227 CA ARG A 16 -11.082 3.858 -6.355 1.00 0.00 C ATOM 228 C ARG A 16 -10.793 4.965 -5.339 1.00 0.00 C ATOM 229 O ARG A 16 -10.896 6.149 -5.659 1.00 0.00 O ATOM 230 CB ARG A 16 -9.865 3.679 -7.264 1.00 0.00 C ATOM 231 CG ARG A 16 -9.278 5.033 -7.667 1.00 0.00 C ATOM 232 CD ARG A 16 -10.280 5.841 -8.494 1.00 0.00 C ATOM 233 NE ARG A 16 -9.586 6.945 -9.195 1.00 0.00 N ATOM 234 CZ ARG A 16 -9.345 8.156 -8.647 1.00 0.00 C ATOM 235 NH1 ARG A 16 -9.742 8.429 -7.387 1.00 0.00 N ATOM 236 NH2 ARG A 16 -8.717 9.068 -9.365 1.00 0.00 N ATOM 0 H ARG A 16 -12.094 4.400 -8.108 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.271 2.921 -5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.107 3.088 -6.750 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.152 3.123 -8.156 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.002 5.594 -6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.365 4.881 -8.243 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.773 5.192 -9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.058 6.244 -7.846 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.270 6.781 -10.151 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.228 7.718 -6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.556 9.346 -6.981 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.422 8.853 -10.317 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.527 9.988 -8.967 1.00 0.00 H new ATOM 246 N MET A 17 -10.438 4.542 -4.135 1.00 0.00 N ATOM 247 CA MET A 17 -10.134 5.483 -3.071 1.00 0.00 C ATOM 248 C MET A 17 -9.658 4.752 -1.813 1.00 0.00 C ATOM 249 O MET A 17 -9.906 3.559 -1.653 1.00 0.00 O ATOM 250 CB MET A 17 -11.383 6.305 -2.743 1.00 0.00 C ATOM 251 CG MET A 17 -11.026 7.533 -1.903 1.00 0.00 C ATOM 252 SD MET A 17 -9.892 8.578 -2.802 1.00 0.00 S ATOM 253 CE MET A 17 -11.046 9.499 -3.805 1.00 0.00 C ATOM 0 H MET A 17 -10.354 3.560 -3.873 1.00 0.00 H new ATOM 0 HA MET A 17 -9.335 6.141 -3.411 1.00 0.00 H new ATOM 0 HB2 MET A 17 -11.868 6.620 -3.667 1.00 0.00 H new ATOM 0 HB3 MET A 17 -12.099 5.686 -2.202 1.00 0.00 H new ATOM 0 HG2 MET A 17 -11.930 8.090 -1.656 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.577 7.221 -0.960 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.501 10.204 -4.433 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.609 8.811 -4.436 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.734 10.045 -3.160 1.00 0.00 H new ATOM 261 N GLU A 18 -8.984 5.502 -0.952 1.00 0.00 N ATOM 262 CA GLU A 18 -8.472 4.940 0.286 1.00 0.00 C ATOM 263 C GLU A 18 -9.603 4.781 1.305 1.00 0.00 C ATOM 264 O GLU A 18 -10.680 5.350 1.136 1.00 0.00 O ATOM 265 CB GLU A 18 -7.341 5.802 0.852 1.00 0.00 C ATOM 266 CG GLU A 18 -6.198 4.931 1.378 1.00 0.00 C ATOM 267 CD GLU A 18 -6.387 4.618 2.864 1.00 0.00 C ATOM 268 OE1 GLU A 18 -6.750 5.511 3.644 1.00 0.00 O ATOM 269 OE2 GLU A 18 -6.141 3.397 3.200 1.00 0.00 O ATOM 0 H GLU A 18 -8.781 6.492 -1.088 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.061 3.953 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.966 6.471 0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.725 6.429 1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.153 4.002 0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.247 5.443 1.228 1.00 0.00 H new ATOM 275 N ALA A 19 -9.319 4.004 2.340 1.00 0.00 N ATOM 276 CA ALA A 19 -10.298 3.763 3.386 1.00 0.00 C ATOM 277 C ALA A 19 -10.533 5.057 4.167 1.00 0.00 C ATOM 278 O ALA A 19 -11.657 5.348 4.571 1.00 0.00 O ATOM 279 CB ALA A 19 -9.818 2.619 4.282 1.00 0.00 C ATOM 0 H ALA A 19 -8.425 3.533 2.476 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.253 3.460 2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.553 2.439 5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.696 1.716 3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.863 2.887 4.734 1.00 0.00 H new ATOM 285 N ALA A 20 -9.452 5.800 4.358 1.00 0.00 N ATOM 286 CA ALA A 20 -9.525 7.056 5.084 1.00 0.00 C ATOM 287 C ALA A 20 -10.758 7.836 4.622 1.00 0.00 C ATOM 288 O ALA A 20 -11.425 8.485 5.427 1.00 0.00 O ATOM 289 CB ALA A 20 -8.227 7.841 4.880 1.00 0.00 C ATOM 0 H ALA A 20 -8.520 5.555 4.022 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.631 6.875 6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.282 8.783 5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.386 7.256 5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.087 8.044 3.818 1.00 0.00 H new ATOM 295 N GLN A 21 -11.023 7.748 3.327 1.00 0.00 N ATOM 296 CA GLN A 21 -12.164 8.437 2.748 1.00 0.00 C ATOM 297 C GLN A 21 -13.456 7.680 3.062 1.00 0.00 C ATOM 298 O GLN A 21 -14.414 8.264 3.567 1.00 0.00 O ATOM 299 CB GLN A 21 -11.987 8.617 1.239 1.00 0.00 C ATOM 300 CG GLN A 21 -11.294 9.945 0.923 1.00 0.00 C ATOM 301 CD GLN A 21 -12.313 11.013 0.522 1.00 0.00 C ATOM 302 OE1 GLN A 21 -12.186 11.680 -0.491 1.00 0.00 O ATOM 303 NE2 GLN A 21 -13.330 11.137 1.371 1.00 0.00 N ATOM 0 H GLN A 21 -10.467 7.210 2.662 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.230 9.429 3.194 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.400 7.791 0.837 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.960 8.585 0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.732 10.282 1.794 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.576 9.801 0.116 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.376 10.547 2.201 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.064 11.822 1.191 1.00 0.00 H new ATOM 310 N ILE A 22 -13.443 6.394 2.749 1.00 0.00 N ATOM 311 CA ILE A 22 -14.601 5.551 2.991 1.00 0.00 C ATOM 312 C ILE A 22 -15.010 5.665 4.461 1.00 0.00 C ATOM 313 O ILE A 22 -16.176 5.912 4.767 1.00 0.00 O ATOM 314 CB ILE A 22 -14.325 4.116 2.539 1.00 0.00 C ATOM 315 CG1 ILE A 22 -14.054 4.057 1.034 1.00 0.00 C ATOM 316 CG2 ILE A 22 -15.464 3.182 2.954 1.00 0.00 C ATOM 317 CD1 ILE A 22 -12.965 3.032 0.713 1.00 0.00 C ATOM 0 H ILE A 22 -12.647 5.914 2.329 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.449 5.889 2.396 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.423 3.767 3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.971 3.796 0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.749 5.041 0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -15.243 2.168 2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.566 3.193 4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.395 3.519 2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.792 3.010 -0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.043 3.309 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.283 2.045 1.049 1.00 0.00 H new ATOM 328 N SER A 23 -14.029 5.480 5.332 1.00 0.00 N ATOM 329 CA SER A 23 -14.273 5.559 6.762 1.00 0.00 C ATOM 330 C SER A 23 -14.912 6.904 7.110 1.00 0.00 C ATOM 331 O SER A 23 -15.832 6.966 7.924 1.00 0.00 O ATOM 332 CB SER A 23 -12.977 5.366 7.553 1.00 0.00 C ATOM 333 OG SER A 23 -12.109 6.490 7.437 1.00 0.00 O ATOM 0 H SER A 23 -13.063 5.276 5.075 1.00 0.00 H new ATOM 0 HA SER A 23 -14.958 4.757 7.037 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.215 5.198 8.603 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.464 4.473 7.196 1.00 0.00 H new ATOM 0 HG SER A 23 -12.133 6.828 6.518 1.00 0.00 H new ATOM 338 N GLN A 24 -14.399 7.949 6.477 1.00 0.00 N ATOM 339 CA GLN A 24 -14.908 9.290 6.710 1.00 0.00 C ATOM 340 C GLN A 24 -16.399 9.357 6.372 1.00 0.00 C ATOM 341 O GLN A 24 -17.186 9.917 7.133 1.00 0.00 O ATOM 342 CB GLN A 24 -14.116 10.324 5.908 1.00 0.00 C ATOM 343 CG GLN A 24 -13.173 11.117 6.816 1.00 0.00 C ATOM 344 CD GLN A 24 -13.442 12.619 6.708 1.00 0.00 C ATOM 345 OE1 GLN A 24 -14.543 13.096 6.930 1.00 0.00 O ATOM 346 NE2 GLN A 24 -12.378 13.336 6.356 1.00 0.00 N ATOM 0 H GLN A 24 -13.636 7.894 5.803 1.00 0.00 H new ATOM 0 HA GLN A 24 -14.784 9.527 7.767 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.541 9.823 5.129 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.804 11.006 5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.301 10.794 7.849 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.139 10.909 6.543 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.485 12.873 6.185 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -12.455 14.348 6.257 1.00 0.00 H new ATOM 353 N THR A 25 -16.740 8.779 5.230 1.00 0.00 N ATOM 354 CA THR A 25 -18.122 8.767 4.782 1.00 0.00 C ATOM 355 C THR A 25 -19.042 8.278 5.902 1.00 0.00 C ATOM 356 O THR A 25 -20.091 8.870 6.153 1.00 0.00 O ATOM 357 CB THR A 25 -18.201 7.914 3.514 1.00 0.00 C ATOM 358 OG1 THR A 25 -17.238 8.498 2.642 1.00 0.00 O ATOM 359 CG2 THR A 25 -19.528 8.086 2.774 1.00 0.00 C ATOM 0 H THR A 25 -16.084 8.316 4.602 1.00 0.00 H new ATOM 0 HA THR A 25 -18.467 9.772 4.537 1.00 0.00 H new ATOM 0 HB THR A 25 -18.065 6.864 3.774 1.00 0.00 H new ATOM 0 HG1 THR A 25 -17.222 8.005 1.795 1.00 0.00 H new ATOM 0 HG21 THR A 25 -19.531 7.459 1.882 1.00 0.00 H new ATOM 0 HG22 THR A 25 -20.350 7.792 3.427 1.00 0.00 H new ATOM 0 HG23 THR A 25 -19.650 9.130 2.484 1.00 0.00 H new ATOM 367 N LEU A 26 -18.616 7.201 6.546 1.00 0.00 N ATOM 368 CA LEU A 26 -19.388 6.625 7.633 1.00 0.00 C ATOM 369 C LEU A 26 -18.745 7.006 8.968 1.00 0.00 C ATOM 370 O LEU A 26 -18.972 6.348 9.981 1.00 0.00 O ATOM 371 CB LEU A 26 -19.549 5.116 7.437 1.00 0.00 C ATOM 372 CG LEU A 26 -18.436 4.421 6.650 1.00 0.00 C ATOM 373 CD1 LEU A 26 -18.261 2.972 7.113 1.00 0.00 C ATOM 374 CD2 LEU A 26 -18.687 4.516 5.144 1.00 0.00 C ATOM 0 H LEU A 26 -17.746 6.712 6.335 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.399 7.032 7.638 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.620 4.647 8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.495 4.934 6.928 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.499 4.940 6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.464 2.500 6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.003 2.957 8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.192 2.426 6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.881 4.014 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.636 4.038 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.723 5.564 4.846 1.00 0.00 H new ATOM 385 N ASN A 27 -17.952 8.068 8.925 1.00 0.00 N ATOM 386 CA ASN A 27 -17.274 8.544 10.118 1.00 0.00 C ATOM 387 C ASN A 27 -16.801 7.345 10.943 1.00 0.00 C ATOM 388 O ASN A 27 -16.752 7.413 12.171 1.00 0.00 O ATOM 389 CB ASN A 27 -18.214 9.378 10.990 1.00 0.00 C ATOM 390 CG ASN A 27 -17.582 10.725 11.346 1.00 0.00 C ATOM 391 OD1 ASN A 27 -16.903 11.351 10.549 1.00 0.00 O ATOM 392 ND2 ASN A 27 -17.840 11.134 12.585 1.00 0.00 N ATOM 0 H ASN A 27 -17.765 8.611 8.082 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.432 9.161 9.804 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -19.154 9.541 10.464 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -18.450 8.831 11.903 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -17.462 12.020 12.919 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -18.416 10.561 13.202 1.00 0.00 H new ATOM 398 N THR A 28 -16.464 6.277 10.236 1.00 0.00 N ATOM 399 CA THR A 28 -15.998 5.065 10.889 1.00 0.00 C ATOM 400 C THR A 28 -14.503 5.167 11.196 1.00 0.00 C ATOM 401 O THR A 28 -13.807 6.014 10.638 1.00 0.00 O ATOM 402 CB THR A 28 -16.354 3.878 9.992 1.00 0.00 C ATOM 403 OG1 THR A 28 -16.944 2.934 10.881 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.116 3.159 9.453 1.00 0.00 C ATOM 0 H THR A 28 -16.504 6.225 9.218 1.00 0.00 H new ATOM 0 HA THR A 28 -16.487 4.921 11.852 1.00 0.00 H new ATOM 0 HB THR A 28 -16.964 4.225 9.158 1.00 0.00 H new ATOM 0 HG1 THR A 28 -17.206 2.133 10.381 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.425 2.325 8.823 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.518 3.855 8.866 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.522 2.783 10.286 1.00 0.00 H new ATOM 412 N PRO A 29 -14.041 4.269 12.107 1.00 0.00 N ATOM 413 CA PRO A 29 -12.641 4.250 12.496 1.00 0.00 C ATOM 414 C PRO A 29 -11.774 3.633 11.397 1.00 0.00 C ATOM 415 O PRO A 29 -12.150 2.625 10.798 1.00 0.00 O ATOM 416 CB PRO A 29 -12.603 3.462 13.795 1.00 0.00 C ATOM 417 CG PRO A 29 -13.903 2.676 13.843 1.00 0.00 C ATOM 418 CD PRO A 29 -14.835 3.253 12.790 1.00 0.00 C ATOM 0 HA PRO A 29 -12.232 5.250 12.641 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.742 2.795 13.822 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.517 4.128 14.654 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -13.718 1.619 13.651 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.355 2.746 14.832 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.174 2.483 12.097 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -15.726 3.686 13.245 1.00 0.00 H new ATOM 423 N GLN A 30 -10.632 4.262 11.163 1.00 0.00 N ATOM 424 CA GLN A 30 -9.709 3.786 10.146 1.00 0.00 C ATOM 425 C GLN A 30 -9.537 2.269 10.254 1.00 0.00 C ATOM 426 O GLN A 30 -9.695 1.552 9.267 1.00 0.00 O ATOM 427 CB GLN A 30 -8.360 4.500 10.252 1.00 0.00 C ATOM 428 CG GLN A 30 -7.895 5.000 8.883 1.00 0.00 C ATOM 429 CD GLN A 30 -7.305 3.858 8.054 1.00 0.00 C ATOM 430 OE1 GLN A 30 -6.227 3.355 8.322 1.00 0.00 O ATOM 431 NE2 GLN A 30 -8.071 3.478 7.035 1.00 0.00 N ATOM 0 H GLN A 30 -10.324 5.098 11.660 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.128 4.016 9.166 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.443 5.340 10.941 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.616 3.820 10.667 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.735 5.445 8.350 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.149 5.784 9.012 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.963 3.942 6.867 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.766 2.722 6.422 1.00 0.00 H new ATOM 438 N PRO A 31 -9.208 1.815 11.493 1.00 0.00 N ATOM 439 CA PRO A 31 -9.013 0.397 11.741 1.00 0.00 C ATOM 440 C PRO A 31 -10.352 -0.342 11.789 1.00 0.00 C ATOM 441 O PRO A 31 -10.638 -1.057 12.748 1.00 0.00 O ATOM 442 CB PRO A 31 -8.251 0.329 13.055 1.00 0.00 C ATOM 443 CG PRO A 31 -8.454 1.679 13.725 1.00 0.00 C ATOM 444 CD PRO A 31 -9.014 2.635 12.684 1.00 0.00 C ATOM 0 HA PRO A 31 -8.455 -0.096 10.945 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.626 -0.479 13.683 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.193 0.134 12.883 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.139 1.588 14.568 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.510 2.055 14.120 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.953 3.077 13.017 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.325 3.457 12.491 1.00 0.00 H new ATOM 449 N MET A 32 -11.138 -0.143 10.741 1.00 0.00 N ATOM 450 CA MET A 32 -12.440 -0.781 10.650 1.00 0.00 C ATOM 451 C MET A 32 -12.747 -1.200 9.211 1.00 0.00 C ATOM 452 O MET A 32 -13.163 -2.331 8.965 1.00 0.00 O ATOM 453 CB MET A 32 -13.518 0.188 11.141 1.00 0.00 C ATOM 454 CG MET A 32 -14.650 -0.563 11.846 1.00 0.00 C ATOM 455 SD MET A 32 -14.075 -1.205 13.408 1.00 0.00 S ATOM 456 CE MET A 32 -15.523 -2.114 13.922 1.00 0.00 C ATOM 0 H MET A 32 -10.898 0.451 9.948 1.00 0.00 H new ATOM 0 HA MET A 32 -12.430 -1.675 11.274 1.00 0.00 H new ATOM 0 HB2 MET A 32 -13.076 0.913 11.825 1.00 0.00 H new ATOM 0 HB3 MET A 32 -13.919 0.749 10.297 1.00 0.00 H new ATOM 0 HG2 MET A 32 -15.496 0.105 12.007 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.004 -1.379 11.216 1.00 0.00 H new ATOM 0 HE1 MET A 32 -15.335 -2.582 14.888 1.00 0.00 H new ATOM 0 HE2 MET A 32 -16.369 -1.432 14.008 1.00 0.00 H new ATOM 0 HE3 MET A 32 -15.751 -2.883 13.184 1.00 0.00 H new ATOM 464 N ILE A 33 -12.528 -0.267 8.297 1.00 0.00 N ATOM 465 CA ILE A 33 -12.777 -0.525 6.889 1.00 0.00 C ATOM 466 C ILE A 33 -11.670 -1.428 6.338 1.00 0.00 C ATOM 467 O ILE A 33 -11.932 -2.302 5.513 1.00 0.00 O ATOM 468 CB ILE A 33 -12.936 0.790 6.123 1.00 0.00 C ATOM 469 CG1 ILE A 33 -14.077 1.627 6.702 1.00 0.00 C ATOM 470 CG2 ILE A 33 -13.116 0.533 4.625 1.00 0.00 C ATOM 471 CD1 ILE A 33 -15.420 0.915 6.534 1.00 0.00 C ATOM 0 H ILE A 33 -12.181 0.669 8.504 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.719 -1.058 6.760 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.020 1.368 6.243 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.892 1.818 7.759 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.111 2.596 6.204 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.227 1.484 4.103 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.243 0.007 4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -14.006 -0.075 4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -16.214 1.532 6.954 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.613 0.747 5.474 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.391 -0.043 7.053 1.00 0.00 H new ATOM 482 N ASN A 34 -10.459 -1.184 6.816 1.00 0.00 N ATOM 483 CA ASN A 34 -9.313 -1.964 6.383 1.00 0.00 C ATOM 484 C ASN A 34 -9.613 -3.453 6.570 1.00 0.00 C ATOM 485 O ASN A 34 -9.284 -4.269 5.711 1.00 0.00 O ATOM 486 CB ASN A 34 -8.071 -1.625 7.210 1.00 0.00 C ATOM 487 CG ASN A 34 -7.493 -0.269 6.799 1.00 0.00 C ATOM 488 OD1 ASN A 34 -7.204 -0.013 5.642 1.00 0.00 O ATOM 489 ND2 ASN A 34 -7.341 0.582 7.809 1.00 0.00 N ATOM 0 H ASN A 34 -10.247 -0.457 7.499 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.124 -1.730 5.335 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.328 -1.609 8.269 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.318 -2.401 7.076 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.962 1.514 7.638 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.603 0.303 8.755 1.00 0.00 H new ATOM 495 N ALA A 35 -10.235 -3.760 7.699 1.00 0.00 N ATOM 496 CA ALA A 35 -10.585 -5.136 8.011 1.00 0.00 C ATOM 497 C ALA A 35 -11.503 -5.685 6.917 1.00 0.00 C ATOM 498 O ALA A 35 -11.290 -6.789 6.419 1.00 0.00 O ATOM 499 CB ALA A 35 -11.228 -5.199 9.398 1.00 0.00 C ATOM 0 H ALA A 35 -10.506 -3.080 8.409 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.693 -5.762 8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.490 -6.231 9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.524 -4.826 10.142 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.128 -4.585 9.410 1.00 0.00 H new ATOM 505 N MET A 36 -12.505 -4.889 6.575 1.00 0.00 N ATOM 506 CA MET A 36 -13.456 -5.281 5.549 1.00 0.00 C ATOM 507 C MET A 36 -12.765 -5.447 4.195 1.00 0.00 C ATOM 508 O MET A 36 -12.938 -6.465 3.527 1.00 0.00 O ATOM 509 CB MET A 36 -14.552 -4.219 5.437 1.00 0.00 C ATOM 510 CG MET A 36 -15.033 -3.777 6.821 1.00 0.00 C ATOM 511 SD MET A 36 -16.783 -4.079 6.984 1.00 0.00 S ATOM 512 CE MET A 36 -17.141 -3.065 8.410 1.00 0.00 C ATOM 0 H MET A 36 -12.679 -3.974 6.990 1.00 0.00 H new ATOM 0 HA MET A 36 -13.893 -6.239 5.832 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.173 -3.357 4.888 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.391 -4.617 4.867 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.489 -4.319 7.594 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.823 -2.717 6.967 1.00 0.00 H new ATOM 0 HE1 MET A 36 -18.201 -3.138 8.651 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.551 -3.410 9.259 1.00 0.00 H new ATOM 0 HE3 MET A 36 -16.889 -2.027 8.191 1.00 0.00 H new ATOM 520 N LEU A 37 -11.996 -4.431 3.831 1.00 0.00 N ATOM 521 CA LEU A 37 -11.278 -4.452 2.568 1.00 0.00 C ATOM 522 C LEU A 37 -10.430 -5.723 2.489 1.00 0.00 C ATOM 523 O LEU A 37 -10.343 -6.352 1.435 1.00 0.00 O ATOM 524 CB LEU A 37 -10.473 -3.164 2.388 1.00 0.00 C ATOM 525 CG LEU A 37 -11.280 -1.913 2.034 1.00 0.00 C ATOM 526 CD1 LEU A 37 -10.526 -0.643 2.436 1.00 0.00 C ATOM 527 CD2 LEU A 37 -11.662 -1.907 0.553 1.00 0.00 C ATOM 0 H LEU A 37 -11.855 -3.589 4.388 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.978 -4.483 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.925 -2.970 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.732 -3.328 1.605 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.208 -1.932 2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.121 0.232 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.347 -0.651 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.572 -0.604 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.235 -1.007 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.758 -1.923 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.266 -2.787 0.329 1.00 0.00 H new ATOM 538 N GLN A 38 -9.826 -6.065 3.618 1.00 0.00 N ATOM 539 CA GLN A 38 -8.988 -7.249 3.690 1.00 0.00 C ATOM 540 C GLN A 38 -9.806 -8.499 3.359 1.00 0.00 C ATOM 541 O GLN A 38 -9.339 -9.377 2.635 1.00 0.00 O ATOM 542 CB GLN A 38 -8.331 -7.372 5.066 1.00 0.00 C ATOM 543 CG GLN A 38 -6.849 -7.730 4.936 1.00 0.00 C ATOM 544 CD GLN A 38 -6.552 -9.084 5.585 1.00 0.00 C ATOM 545 OE1 GLN A 38 -6.731 -9.283 6.775 1.00 0.00 O ATOM 546 NE2 GLN A 38 -6.090 -10.000 4.739 1.00 0.00 N ATOM 0 H GLN A 38 -9.901 -5.542 4.491 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.192 -7.153 2.951 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.436 -6.432 5.608 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.843 -8.136 5.651 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.569 -7.758 3.883 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.242 -6.956 5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.964 -9.767 3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.862 -10.936 5.075 1.00 0.00 H new ATOM 553 N GLN A 39 -11.013 -8.539 3.905 1.00 0.00 N ATOM 554 CA GLN A 39 -11.901 -9.666 3.676 1.00 0.00 C ATOM 555 C GLN A 39 -12.212 -9.804 2.185 1.00 0.00 C ATOM 556 O GLN A 39 -12.080 -10.886 1.616 1.00 0.00 O ATOM 557 CB GLN A 39 -13.186 -9.527 4.495 1.00 0.00 C ATOM 558 CG GLN A 39 -13.548 -10.847 5.177 1.00 0.00 C ATOM 559 CD GLN A 39 -14.594 -10.630 6.271 1.00 0.00 C ATOM 560 OE1 GLN A 39 -15.072 -9.532 6.500 1.00 0.00 O ATOM 561 NE2 GLN A 39 -14.922 -11.736 6.934 1.00 0.00 N ATOM 0 H GLN A 39 -11.396 -7.809 4.505 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.396 -10.574 4.006 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.060 -8.748 5.247 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -14.003 -9.213 3.845 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.931 -11.550 4.437 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.653 -11.295 5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.484 -12.625 6.692 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.612 -11.695 7.684 1.00 0.00 H new ATOM 568 N LEU A 40 -12.620 -8.691 1.593 1.00 0.00 N ATOM 569 CA LEU A 40 -12.950 -8.673 0.179 1.00 0.00 C ATOM 570 C LEU A 40 -11.720 -9.079 -0.634 1.00 0.00 C ATOM 571 O LEU A 40 -11.836 -9.796 -1.626 1.00 0.00 O ATOM 572 CB LEU A 40 -13.529 -7.313 -0.219 1.00 0.00 C ATOM 573 CG LEU A 40 -14.676 -6.791 0.649 1.00 0.00 C ATOM 574 CD1 LEU A 40 -14.652 -5.263 0.730 1.00 0.00 C ATOM 575 CD2 LEU A 40 -16.023 -7.318 0.152 1.00 0.00 C ATOM 0 H LEU A 40 -12.729 -7.795 2.068 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.730 -9.402 -0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.724 -6.579 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.880 -7.377 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.537 -7.169 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.478 -4.919 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.708 -4.937 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.753 -4.844 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.821 -6.932 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.185 -6.991 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.024 -8.407 0.190 1.00 0.00 H new ATOM 586 N GLU A 41 -10.569 -8.602 -0.183 1.00 0.00 N ATOM 587 CA GLU A 41 -9.317 -8.906 -0.856 1.00 0.00 C ATOM 588 C GLU A 41 -9.035 -10.410 -0.796 1.00 0.00 C ATOM 589 O GLU A 41 -8.753 -11.033 -1.818 1.00 0.00 O ATOM 590 CB GLU A 41 -8.161 -8.107 -0.254 1.00 0.00 C ATOM 591 CG GLU A 41 -6.849 -8.408 -0.980 1.00 0.00 C ATOM 592 CD GLU A 41 -5.740 -8.756 0.015 1.00 0.00 C ATOM 593 OE1 GLU A 41 -5.442 -7.957 0.917 1.00 0.00 O ATOM 594 OE2 GLU A 41 -5.179 -9.903 -0.171 1.00 0.00 O ATOM 0 H GLU A 41 -10.477 -8.007 0.640 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.409 -8.614 -1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.379 -7.041 -0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.059 -8.349 0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.994 -9.237 -1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.551 -7.544 -1.574 1.00 0.00 H new ATOM 600 N SER A 42 -9.119 -10.947 0.412 1.00 0.00 N ATOM 601 CA SER A 42 -8.876 -12.364 0.619 1.00 0.00 C ATOM 602 C SER A 42 -9.766 -13.189 -0.312 1.00 0.00 C ATOM 603 O SER A 42 -9.299 -14.133 -0.949 1.00 0.00 O ATOM 604 CB SER A 42 -9.122 -12.759 2.077 1.00 0.00 C ATOM 605 OG SER A 42 -8.434 -13.955 2.429 1.00 0.00 O ATOM 0 H SER A 42 -9.352 -10.426 1.257 1.00 0.00 H new ATOM 0 HA SER A 42 -7.831 -12.569 0.388 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.799 -11.949 2.731 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.191 -12.894 2.241 1.00 0.00 H new ATOM 0 HG SER A 42 -8.615 -14.172 3.367 1.00 0.00 H new ATOM 610 N MET A 43 -11.033 -12.804 -0.362 1.00 0.00 N ATOM 611 CA MET A 43 -11.994 -13.497 -1.203 1.00 0.00 C ATOM 612 C MET A 43 -11.727 -13.218 -2.684 1.00 0.00 C ATOM 613 O MET A 43 -11.697 -14.140 -3.498 1.00 0.00 O ATOM 614 CB MET A 43 -13.410 -13.041 -0.845 1.00 0.00 C ATOM 615 CG MET A 43 -13.831 -13.587 0.520 1.00 0.00 C ATOM 616 SD MET A 43 -15.554 -14.055 0.485 1.00 0.00 S ATOM 617 CE MET A 43 -15.428 -15.645 -0.317 1.00 0.00 C ATOM 0 H MET A 43 -11.416 -12.020 0.167 1.00 0.00 H new ATOM 0 HA MET A 43 -11.894 -14.568 -1.030 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.454 -11.952 -0.835 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.110 -13.381 -1.609 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.217 -14.449 0.781 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.666 -12.833 1.289 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.289 -15.793 -0.969 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.513 -15.683 -0.909 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.405 -16.432 0.437 1.00 0.00 H new ATOM 625 N GLY A 44 -11.539 -11.941 -2.988 1.00 0.00 N ATOM 626 CA GLY A 44 -11.276 -11.529 -4.355 1.00 0.00 C ATOM 627 C GLY A 44 -12.472 -10.775 -4.942 1.00 0.00 C ATOM 628 O GLY A 44 -12.898 -11.054 -6.060 1.00 0.00 O ATOM 0 H GLY A 44 -11.564 -11.179 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.392 -10.893 -4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.058 -12.404 -4.967 1.00 0.00 H new ATOM 632 N LYS A 45 -12.978 -9.834 -4.157 1.00 0.00 N ATOM 633 CA LYS A 45 -14.116 -9.038 -4.584 1.00 0.00 C ATOM 634 C LYS A 45 -13.627 -7.662 -5.042 1.00 0.00 C ATOM 635 O LYS A 45 -14.076 -7.150 -6.066 1.00 0.00 O ATOM 636 CB LYS A 45 -15.173 -8.979 -3.479 1.00 0.00 C ATOM 637 CG LYS A 45 -15.229 -10.296 -2.702 1.00 0.00 C ATOM 638 CD LYS A 45 -15.797 -11.420 -3.570 1.00 0.00 C ATOM 639 CE LYS A 45 -16.455 -12.498 -2.708 1.00 0.00 C ATOM 640 NZ LYS A 45 -17.881 -12.180 -2.476 1.00 0.00 N ATOM 0 H LYS A 45 -12.621 -9.606 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.607 -9.503 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.946 -8.160 -2.797 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.149 -8.769 -3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.229 -10.564 -2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.846 -10.172 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.527 -11.011 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.999 -11.863 -4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.368 -13.467 -3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.934 -12.576 -1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.311 -12.923 -1.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.958 -11.265 -1.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.378 -12.128 -3.388 1.00 0.00 H new ATOM 649 N ALA A 46 -12.714 -7.104 -4.262 1.00 0.00 N ATOM 650 CA ALA A 46 -12.159 -5.798 -4.575 1.00 0.00 C ATOM 651 C ALA A 46 -10.768 -5.973 -5.186 1.00 0.00 C ATOM 652 O ALA A 46 -10.267 -7.092 -5.288 1.00 0.00 O ATOM 653 CB ALA A 46 -12.137 -4.937 -3.311 1.00 0.00 C ATOM 0 H ALA A 46 -12.344 -7.532 -3.413 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.779 -5.283 -5.309 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.721 -3.957 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.153 -4.819 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.522 -5.420 -2.552 1.00 0.00 H new ATOM 659 N VAL A 47 -10.183 -4.850 -5.578 1.00 0.00 N ATOM 660 CA VAL A 47 -8.859 -4.865 -6.177 1.00 0.00 C ATOM 661 C VAL A 47 -8.000 -3.777 -5.531 1.00 0.00 C ATOM 662 O VAL A 47 -8.522 -2.776 -5.043 1.00 0.00 O ATOM 663 CB VAL A 47 -8.970 -4.716 -7.696 1.00 0.00 C ATOM 664 CG1 VAL A 47 -9.816 -5.840 -8.297 1.00 0.00 C ATOM 665 CG2 VAL A 47 -9.533 -3.344 -8.071 1.00 0.00 C ATOM 0 H VAL A 47 -10.602 -3.924 -5.492 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.367 -5.820 -5.993 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.967 -4.793 -8.115 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.879 -5.710 -9.377 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.355 -6.802 -8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.818 -5.810 -7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.602 -3.263 -9.156 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.525 -3.226 -7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.874 -2.564 -7.690 1.00 0.00 H new ATOM 675 N ARG A 48 -6.695 -4.010 -5.546 1.00 0.00 N ATOM 676 CA ARG A 48 -5.758 -3.064 -4.968 1.00 0.00 C ATOM 677 C ARG A 48 -5.435 -1.956 -5.972 1.00 0.00 C ATOM 678 O ARG A 48 -5.260 -2.222 -7.161 1.00 0.00 O ATOM 679 CB ARG A 48 -4.461 -3.758 -4.548 1.00 0.00 C ATOM 680 CG ARG A 48 -4.517 -4.185 -3.080 1.00 0.00 C ATOM 681 CD ARG A 48 -3.128 -4.569 -2.568 1.00 0.00 C ATOM 682 NE ARG A 48 -2.859 -5.996 -2.856 1.00 0.00 N ATOM 683 CZ ARG A 48 -1.862 -6.709 -2.289 1.00 0.00 C ATOM 684 NH1 ARG A 48 -1.029 -6.131 -1.397 1.00 0.00 N ATOM 685 NH2 ARG A 48 -1.714 -7.978 -2.620 1.00 0.00 N ATOM 0 H ARG A 48 -6.265 -4.842 -5.950 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.227 -2.632 -4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.291 -4.631 -5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.618 -3.085 -4.703 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.919 -3.372 -2.476 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.196 -5.030 -2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.371 -3.945 -3.043 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.064 -4.388 -1.495 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.465 -6.471 -3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.151 -5.150 -1.147 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.278 -6.676 -0.973 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.348 -8.406 -3.295 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.966 -8.530 -2.201 1.00 0.00 H new ATOM 695 N ILE A 49 -5.364 -0.737 -5.459 1.00 0.00 N ATOM 696 CA ILE A 49 -5.064 0.412 -6.296 1.00 0.00 C ATOM 697 C ILE A 49 -3.776 1.075 -5.802 1.00 0.00 C ATOM 698 O ILE A 49 -3.452 1.005 -4.618 1.00 0.00 O ATOM 699 CB ILE A 49 -6.262 1.362 -6.351 1.00 0.00 C ATOM 700 CG1 ILE A 49 -7.469 0.684 -7.006 1.00 0.00 C ATOM 701 CG2 ILE A 49 -5.892 2.671 -7.050 1.00 0.00 C ATOM 702 CD1 ILE A 49 -7.444 0.867 -8.524 1.00 0.00 C ATOM 0 H ILE A 49 -5.509 -0.520 -4.473 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.888 0.098 -7.325 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.547 1.612 -5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.469 -0.379 -6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.390 1.103 -6.601 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.761 3.328 -7.076 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.084 3.159 -6.505 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.567 2.460 -8.069 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.312 0.376 -8.964 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.469 1.930 -8.763 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.533 0.425 -8.929 1.00 0.00 H new ATOM 713 N GLN A 50 -3.077 1.704 -6.736 1.00 0.00 N ATOM 714 CA GLN A 50 -1.833 2.380 -6.411 1.00 0.00 C ATOM 715 C GLN A 50 -1.973 3.887 -6.630 1.00 0.00 C ATOM 716 O GLN A 50 -2.778 4.326 -7.451 1.00 0.00 O ATOM 717 CB GLN A 50 -0.672 1.813 -7.230 1.00 0.00 C ATOM 718 CG GLN A 50 0.588 2.663 -7.057 1.00 0.00 C ATOM 719 CD GLN A 50 1.838 1.882 -7.468 1.00 0.00 C ATOM 720 OE1 GLN A 50 1.833 1.098 -8.402 1.00 0.00 O ATOM 721 NE2 GLN A 50 2.906 2.138 -6.718 1.00 0.00 N ATOM 0 H GLN A 50 -3.349 1.759 -7.718 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.612 2.206 -5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.469 0.788 -6.919 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.949 1.777 -8.284 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.506 3.568 -7.659 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.678 2.979 -6.018 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.842 2.806 -5.950 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.789 1.666 -6.911 1.00 0.00 H new ATOM 728 N GLU A 51 -1.180 4.638 -5.880 1.00 0.00 N ATOM 729 CA GLU A 51 -1.207 6.088 -5.983 1.00 0.00 C ATOM 730 C GLU A 51 -0.132 6.570 -6.958 1.00 0.00 C ATOM 731 O GLU A 51 0.700 5.786 -7.408 1.00 0.00 O ATOM 732 CB GLU A 51 -1.032 6.736 -4.608 1.00 0.00 C ATOM 733 CG GLU A 51 -2.215 7.650 -4.278 1.00 0.00 C ATOM 734 CD GLU A 51 -1.734 8.989 -3.719 1.00 0.00 C ATOM 735 OE1 GLU A 51 -0.804 9.594 -4.272 1.00 0.00 O ATOM 736 OE2 GLU A 51 -2.365 9.401 -2.671 1.00 0.00 O ATOM 0 H GLU A 51 -0.515 4.271 -5.199 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.181 6.389 -6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.942 5.962 -3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.107 7.312 -4.588 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.810 7.819 -5.176 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.865 7.161 -3.552 1.00 0.00 H new ATOM 975 N ARG A 72 1.020 4.693 -0.638 1.00 0.00 N ATOM 976 CA ARG A 72 -0.362 4.706 -0.189 1.00 0.00 C ATOM 977 C ARG A 72 -1.256 3.989 -1.203 1.00 0.00 C ATOM 978 O ARG A 72 -1.781 4.613 -2.123 1.00 0.00 O ATOM 979 CB ARG A 72 -0.865 6.137 0.002 1.00 0.00 C ATOM 980 CG ARG A 72 -0.839 6.536 1.479 1.00 0.00 C ATOM 981 CD ARG A 72 -2.254 6.788 2.004 1.00 0.00 C ATOM 982 NE ARG A 72 -2.421 6.156 3.332 1.00 0.00 N ATOM 983 CZ ARG A 72 -1.913 6.657 4.478 1.00 0.00 C ATOM 984 NH1 ARG A 72 -1.202 7.804 4.468 1.00 0.00 N ATOM 985 NH2 ARG A 72 -2.125 6.009 5.609 1.00 0.00 N ATOM 0 HA ARG A 72 -0.405 4.187 0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.245 6.824 -0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.881 6.224 -0.384 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.365 5.748 2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.235 7.434 1.606 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.438 7.860 2.076 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.987 6.385 1.305 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.953 5.287 3.385 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.045 8.299 3.590 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.822 8.176 5.338 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.665 5.144 5.608 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.748 6.374 6.484 1.00 0.00 H new ATOM 995 N GLU A 73 -1.400 2.687 -1.000 1.00 0.00 N ATOM 996 CA GLU A 73 -2.221 1.879 -1.884 1.00 0.00 C ATOM 997 C GLU A 73 -3.705 2.158 -1.634 1.00 0.00 C ATOM 998 O GLU A 73 -4.146 2.213 -0.487 1.00 0.00 O ATOM 999 CB GLU A 73 -1.908 0.391 -1.715 1.00 0.00 C ATOM 1000 CG GLU A 73 -0.440 0.100 -2.033 1.00 0.00 C ATOM 1001 CD GLU A 73 -0.190 -1.406 -2.139 1.00 0.00 C ATOM 1002 OE1 GLU A 73 -1.141 -2.183 -2.303 1.00 0.00 O ATOM 1003 OE2 GLU A 73 1.047 -1.760 -2.049 1.00 0.00 O ATOM 0 H GLU A 73 -0.962 2.173 -0.236 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.988 2.152 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.131 0.083 -0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.549 -0.196 -2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.164 0.585 -2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.195 0.524 -1.255 1.00 0.00 H new ATOM 1009 N TRP A 74 -4.435 2.327 -2.728 1.00 0.00 N ATOM 1010 CA TRP A 74 -5.859 2.600 -2.641 1.00 0.00 C ATOM 1011 C TRP A 74 -6.607 1.290 -2.895 1.00 0.00 C ATOM 1012 O TRP A 74 -6.001 0.285 -3.266 1.00 0.00 O ATOM 1013 CB TRP A 74 -6.263 3.715 -3.606 1.00 0.00 C ATOM 1014 CG TRP A 74 -5.991 5.125 -3.077 1.00 0.00 C ATOM 1015 CD1 TRP A 74 -5.732 5.497 -1.816 1.00 0.00 C ATOM 1016 CD2 TRP A 74 -5.960 6.343 -3.851 1.00 0.00 C ATOM 1017 NE1 TRP A 74 -5.538 6.860 -1.721 1.00 0.00 N ATOM 1018 CE2 TRP A 74 -5.681 7.391 -2.998 1.00 0.00 C ATOM 1019 CE3 TRP A 74 -6.162 6.552 -5.227 1.00 0.00 C ATOM 1020 CZ2 TRP A 74 -5.578 8.720 -3.425 1.00 0.00 C ATOM 1021 CZ3 TRP A 74 -6.056 7.886 -5.637 1.00 0.00 C ATOM 1022 CH2 TRP A 74 -5.774 8.952 -4.791 1.00 0.00 C ATOM 0 H TRP A 74 -4.067 2.280 -3.678 1.00 0.00 H new ATOM 0 HA TRP A 74 -6.122 2.965 -1.648 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.726 3.581 -4.545 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.326 3.621 -3.830 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.681 4.816 -0.979 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.328 7.382 -0.870 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -6.381 5.747 -5.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.359 9.523 -2.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.204 8.102 -6.685 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.706 9.955 -5.186 1.00 0.00 H new ATOM 1032 N TRP A 75 -7.915 1.341 -2.686 1.00 0.00 N ATOM 1033 CA TRP A 75 -8.752 0.171 -2.888 1.00 0.00 C ATOM 1034 C TRP A 75 -9.847 0.540 -3.892 1.00 0.00 C ATOM 1035 O TRP A 75 -10.278 1.690 -3.950 1.00 0.00 O ATOM 1036 CB TRP A 75 -9.309 -0.341 -1.558 1.00 0.00 C ATOM 1037 CG TRP A 75 -8.246 -0.910 -0.616 1.00 0.00 C ATOM 1038 CD1 TRP A 75 -7.581 -0.273 0.358 1.00 0.00 C ATOM 1039 CD2 TRP A 75 -7.750 -2.265 -0.599 1.00 0.00 C ATOM 1040 NE1 TRP A 75 -6.695 -1.115 0.999 1.00 0.00 N ATOM 1041 CE2 TRP A 75 -6.802 -2.365 0.400 1.00 0.00 C ATOM 1042 CE3 TRP A 75 -8.090 -3.370 -1.398 1.00 0.00 C ATOM 1043 CZ2 TRP A 75 -6.116 -3.551 0.690 1.00 0.00 C ATOM 1044 CZ3 TRP A 75 -7.397 -4.547 -1.096 1.00 0.00 C ATOM 1045 CH2 TRP A 75 -6.440 -4.664 -0.095 1.00 0.00 C ATOM 0 H TRP A 75 -8.415 2.175 -2.379 1.00 0.00 H new ATOM 0 HA TRP A 75 -8.169 -0.654 -3.296 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -9.827 0.475 -1.054 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -10.052 -1.113 -1.760 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -7.721 0.768 0.609 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -6.076 -0.866 1.770 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -8.829 -3.315 -2.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.377 -3.604 1.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -7.621 -5.426 -1.682 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.948 -5.610 0.077 1.00 0.00 H new ATOM 1055 N ALA A 76 -10.263 -0.458 -4.657 1.00 0.00 N ATOM 1056 CA ALA A 76 -11.299 -0.252 -5.656 1.00 0.00 C ATOM 1057 C ALA A 76 -12.043 -1.569 -5.890 1.00 0.00 C ATOM 1058 O ALA A 76 -11.659 -2.607 -5.353 1.00 0.00 O ATOM 1059 CB ALA A 76 -10.670 0.298 -6.938 1.00 0.00 C ATOM 0 H ALA A 76 -9.902 -1.411 -4.606 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.027 0.482 -5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.447 0.452 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.178 1.247 -6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.936 -0.413 -7.317 1.00 0.00 H new ATOM 1065 N LEU A 77 -13.094 -1.482 -6.692 1.00 0.00 N ATOM 1066 CA LEU A 77 -13.896 -2.653 -7.004 1.00 0.00 C ATOM 1067 C LEU A 77 -13.330 -3.336 -8.252 1.00 0.00 C ATOM 1068 O LEU A 77 -12.622 -2.710 -9.039 1.00 0.00 O ATOM 1069 CB LEU A 77 -15.373 -2.275 -7.127 1.00 0.00 C ATOM 1070 CG LEU A 77 -15.916 -1.333 -6.050 1.00 0.00 C ATOM 1071 CD1 LEU A 77 -17.419 -1.111 -6.223 1.00 0.00 C ATOM 1072 CD2 LEU A 77 -15.569 -1.843 -4.650 1.00 0.00 C ATOM 0 H LEU A 77 -13.409 -0.619 -7.135 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.843 -3.377 -6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.529 -1.810 -8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.964 -3.191 -7.113 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.432 -0.364 -6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.779 -0.438 -5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -17.612 -0.671 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -17.939 -2.066 -6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.966 -1.155 -3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.007 -2.830 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.486 -1.907 -4.544 1.00 0.00 H new ATOM 1083 N ARG A 78 -13.664 -4.610 -8.392 1.00 0.00 N ATOM 1084 CA ARG A 78 -13.198 -5.385 -9.530 1.00 0.00 C ATOM 1085 C ARG A 78 -13.941 -4.963 -10.799 1.00 0.00 C ATOM 1086 O ARG A 78 -13.398 -5.049 -11.899 1.00 0.00 O ATOM 1087 CB ARG A 78 -13.406 -6.882 -9.299 1.00 0.00 C ATOM 1088 CG ARG A 78 -13.001 -7.689 -10.534 1.00 0.00 C ATOM 1089 CD ARG A 78 -11.478 -7.759 -10.669 1.00 0.00 C ATOM 1090 NE ARG A 78 -11.108 -8.707 -11.743 1.00 0.00 N ATOM 1091 CZ ARG A 78 -9.900 -8.731 -12.348 1.00 0.00 C ATOM 1092 NH1 ARG A 78 -8.936 -7.857 -11.988 1.00 0.00 N ATOM 1093 NH2 ARG A 78 -9.678 -9.621 -13.298 1.00 0.00 N ATOM 0 H ARG A 78 -14.252 -5.125 -7.737 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.132 -5.193 -9.648 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.819 -7.206 -8.440 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.452 -7.075 -9.061 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.410 -8.697 -10.464 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.428 -7.233 -11.427 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.079 -6.770 -10.892 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.035 -8.076 -9.725 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.808 -9.384 -12.045 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.117 -7.172 -11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.027 -7.882 -12.450 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.413 -10.276 -13.565 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.772 -9.653 -13.765 1.00 0.00 H new