USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 654 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 6 GLN : amide:sc= -0.609 K(o=-2,f=-1) USER MOD Set 1.2: A 7 GLN : amide:sc= -1.41 K(o=-2,f=-1.4) USER MOD Single : A 1 ALA N :NH3+ 141:sc= 0.0107 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 154:sc= -0.247 (180deg=-0.992) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.613 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0535 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 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0621 X(o=-0.062,f=0) USER MOD Single : A 52 ASN : amide:sc= -2.46! C(o=-2.5!,f=-4.3!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0194 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -118:sc= -6.16! (180deg=-10.8!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : A 86 MET CE :methyl -177:sc= -4.96! (180deg=-5.56!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -24.908 8.106 -17.510 1.00 0.00 N ATOM 2 CA ALA A 1 -23.850 7.812 -16.521 1.00 0.00 C ATOM 3 C ALA A 1 -22.458 7.878 -17.205 1.00 0.00 C ATOM 4 O ALA A 1 -22.285 7.406 -18.335 1.00 0.00 O ATOM 5 CB ALA A 1 -24.106 6.439 -15.872 1.00 0.00 C ATOM 0 H1 ALA A 1 -25.725 7.486 -17.339 1.00 0.00 H new ATOM 0 H2 ALA A 1 -25.202 9.099 -17.419 1.00 0.00 H new ATOM 0 H3 ALA A 1 -24.542 7.940 -18.469 1.00 0.00 H new ATOM 0 HA ALA A 1 -23.867 8.560 -15.729 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -23.322 6.229 -15.144 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -25.074 6.448 -15.371 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -24.103 5.667 -16.641 1.00 0.00 H new ATOM 13 N SER A 2 -21.476 8.473 -16.502 1.00 0.00 N ATOM 14 CA SER A 2 -20.084 8.609 -17.006 1.00 0.00 C ATOM 15 C SER A 2 -19.135 8.986 -15.836 1.00 0.00 C ATOM 16 O SER A 2 -19.589 9.360 -14.749 1.00 0.00 O ATOM 17 CB SER A 2 -20.051 9.650 -18.149 1.00 0.00 C ATOM 18 OG SER A 2 -19.330 9.162 -19.276 1.00 0.00 O ATOM 0 H SER A 2 -21.617 8.873 -15.574 1.00 0.00 H new ATOM 0 HA SER A 2 -19.734 7.660 -17.413 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.070 9.898 -18.447 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.590 10.571 -17.791 1.00 0.00 H new ATOM 0 HG SER A 2 -19.328 9.841 -19.982 1.00 0.00 H new ATOM 24 N MET A 3 -17.815 8.882 -16.082 1.00 0.00 N ATOM 25 CA MET A 3 -16.772 9.253 -15.090 1.00 0.00 C ATOM 26 C MET A 3 -16.753 8.201 -13.948 1.00 0.00 C ATOM 27 O MET A 3 -17.448 8.353 -12.936 1.00 0.00 O ATOM 28 CB MET A 3 -17.035 10.691 -14.564 1.00 0.00 C ATOM 29 CG MET A 3 -15.783 11.562 -14.346 1.00 0.00 C ATOM 30 SD MET A 3 -15.245 12.323 -15.896 1.00 0.00 S ATOM 31 CE MET A 3 -15.591 14.066 -15.587 1.00 0.00 C ATOM 0 H MET A 3 -17.437 8.541 -16.966 1.00 0.00 H new ATOM 0 HA MET A 3 -15.787 9.255 -15.557 1.00 0.00 H new ATOM 0 HB2 MET A 3 -17.692 11.201 -15.268 1.00 0.00 H new ATOM 0 HB3 MET A 3 -17.574 10.620 -13.620 1.00 0.00 H new ATOM 0 HG2 MET A 3 -15.999 12.338 -13.611 1.00 0.00 H new ATOM 0 HG3 MET A 3 -14.978 10.952 -13.938 1.00 0.00 H new ATOM 0 HE1 MET A 3 -15.308 14.654 -16.460 1.00 0.00 H new ATOM 0 HE2 MET A 3 -16.655 14.197 -15.391 1.00 0.00 H new ATOM 0 HE3 MET A 3 -15.019 14.403 -14.722 1.00 0.00 H new ATOM 41 N THR A 4 -15.946 7.138 -14.130 1.00 0.00 N ATOM 42 CA THR A 4 -15.726 6.096 -13.092 1.00 0.00 C ATOM 43 C THR A 4 -15.010 6.708 -11.857 1.00 0.00 C ATOM 44 O THR A 4 -13.948 7.331 -11.990 1.00 0.00 O ATOM 45 CB THR A 4 -15.018 4.844 -13.697 1.00 0.00 C ATOM 46 OG1 THR A 4 -15.998 3.983 -14.271 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.135 3.997 -12.758 1.00 0.00 C ATOM 0 H THR A 4 -15.428 6.972 -14.993 1.00 0.00 H new ATOM 0 HA THR A 4 -16.686 5.730 -12.728 1.00 0.00 H new ATOM 0 HB THR A 4 -14.324 5.272 -14.421 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.558 3.196 -14.654 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.709 3.162 -13.314 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.331 4.615 -12.359 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.740 3.614 -11.936 1.00 0.00 H new ATOM 55 N ASP A 5 -15.616 6.552 -10.666 1.00 0.00 N ATOM 56 CA ASP A 5 -15.036 7.006 -9.376 1.00 0.00 C ATOM 57 C ASP A 5 -14.124 5.888 -8.795 1.00 0.00 C ATOM 58 O ASP A 5 -14.172 5.600 -7.588 1.00 0.00 O ATOM 59 CB ASP A 5 -16.148 7.432 -8.372 1.00 0.00 C ATOM 60 CG ASP A 5 -17.139 6.332 -7.956 1.00 0.00 C ATOM 61 OD1 ASP A 5 -17.066 5.211 -8.509 1.00 0.00 O ATOM 62 OD2 ASP A 5 -17.993 6.585 -7.077 1.00 0.00 O ATOM 0 H ASP A 5 -16.527 6.106 -10.564 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.425 7.891 -9.553 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.669 7.820 -7.473 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.712 8.254 -8.813 1.00 0.00 H new ATOM 67 N GLN A 6 -13.275 5.288 -9.649 1.00 0.00 N ATOM 68 CA GLN A 6 -12.365 4.179 -9.257 1.00 0.00 C ATOM 69 C GLN A 6 -11.054 4.800 -8.700 1.00 0.00 C ATOM 70 O GLN A 6 -10.555 4.385 -7.648 1.00 0.00 O ATOM 71 CB GLN A 6 -12.110 3.236 -10.467 1.00 0.00 C ATOM 72 CG GLN A 6 -10.964 2.208 -10.304 1.00 0.00 C ATOM 73 CD GLN A 6 -10.169 1.931 -11.592 1.00 0.00 C ATOM 74 OE1 GLN A 6 -10.737 1.624 -12.640 1.00 0.00 O ATOM 75 NE2 GLN A 6 -8.848 2.030 -11.546 1.00 0.00 N ATOM 0 H GLN A 6 -13.195 5.553 -10.631 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.816 3.564 -8.478 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.031 2.692 -10.677 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.897 3.851 -11.341 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.277 2.567 -9.538 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.383 1.269 -9.942 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.386 2.285 -10.673 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.294 1.851 -12.383 1.00 0.00 H new ATOM 84 N GLN A 7 -10.504 5.784 -9.436 1.00 0.00 N ATOM 85 CA GLN A 7 -9.216 6.440 -9.088 1.00 0.00 C ATOM 86 C GLN A 7 -9.342 7.972 -9.307 1.00 0.00 C ATOM 87 O GLN A 7 -8.330 8.652 -9.537 1.00 0.00 O ATOM 88 CB GLN A 7 -8.050 5.884 -9.960 1.00 0.00 C ATOM 89 CG GLN A 7 -8.030 6.341 -11.436 1.00 0.00 C ATOM 90 CD GLN A 7 -9.343 6.022 -12.171 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.228 6.869 -12.292 1.00 0.00 O ATOM 92 NE2 GLN A 7 -9.503 4.805 -12.668 1.00 0.00 N ATOM 0 H GLN A 7 -10.933 6.150 -10.286 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.993 6.229 -8.042 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.107 6.174 -9.498 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.094 4.795 -9.938 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.846 7.415 -11.478 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.202 5.855 -11.952 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -8.764 4.110 -12.563 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.365 4.563 -13.156 1.00 0.00 H new ATOM 101 N ALA A 8 -10.573 8.510 -9.237 1.00 0.00 N ATOM 102 CA ALA A 8 -10.838 9.962 -9.426 1.00 0.00 C ATOM 103 C ALA A 8 -10.508 10.736 -8.120 1.00 0.00 C ATOM 104 O ALA A 8 -10.043 11.880 -8.166 1.00 0.00 O ATOM 105 CB ALA A 8 -12.306 10.156 -9.854 1.00 0.00 C ATOM 0 H ALA A 8 -11.412 7.961 -9.049 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.198 10.363 -10.212 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.507 11.218 -9.994 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.485 9.626 -10.790 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.966 9.761 -9.081 1.00 0.00 H new ATOM 111 N GLU A 9 -10.737 10.081 -6.967 1.00 0.00 N ATOM 112 CA GLU A 9 -10.494 10.678 -5.626 1.00 0.00 C ATOM 113 C GLU A 9 -8.965 10.824 -5.402 1.00 0.00 C ATOM 114 O GLU A 9 -8.505 11.796 -4.791 1.00 0.00 O ATOM 115 CB GLU A 9 -11.165 9.846 -4.494 1.00 0.00 C ATOM 116 CG GLU A 9 -12.606 10.250 -4.104 1.00 0.00 C ATOM 117 CD GLU A 9 -12.861 10.187 -2.596 1.00 0.00 C ATOM 118 OE1 GLU A 9 -12.184 9.397 -1.901 1.00 0.00 O ATOM 119 OE2 GLU A 9 -13.739 10.926 -2.098 1.00 0.00 O ATOM 0 H GLU A 9 -11.094 9.126 -6.931 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.953 11.666 -5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.175 8.800 -4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.539 9.913 -3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.801 11.263 -4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.311 9.593 -4.613 1.00 0.00 H new ATOM 126 N ALA A 10 -8.193 9.830 -5.880 1.00 0.00 N ATOM 127 CA ALA A 10 -6.723 9.766 -5.659 1.00 0.00 C ATOM 128 C ALA A 10 -6.011 10.868 -6.491 1.00 0.00 C ATOM 129 O ALA A 10 -4.967 11.390 -6.084 1.00 0.00 O ATOM 130 CB ALA A 10 -6.220 8.355 -6.022 1.00 0.00 C ATOM 0 H ALA A 10 -8.560 9.051 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.491 9.952 -4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.143 8.300 -5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.718 7.618 -5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.443 8.147 -7.069 1.00 0.00 H new ATOM 136 N ARG A 11 -6.580 11.183 -7.669 1.00 0.00 N ATOM 137 CA ARG A 11 -5.977 12.132 -8.642 1.00 0.00 C ATOM 138 C ARG A 11 -6.028 13.554 -8.020 1.00 0.00 C ATOM 139 O ARG A 11 -5.127 14.373 -8.243 1.00 0.00 O ATOM 140 CB ARG A 11 -6.733 12.079 -10.000 1.00 0.00 C ATOM 141 CG ARG A 11 -6.907 13.442 -10.710 1.00 0.00 C ATOM 142 CD ARG A 11 -7.009 13.306 -12.241 1.00 0.00 C ATOM 143 NE ARG A 11 -7.350 14.598 -12.888 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.967 14.719 -14.081 1.00 0.00 C ATOM 145 NH1 ARG A 11 -7.832 13.790 -15.018 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.707 15.781 -14.365 1.00 0.00 N ATOM 0 H ARG A 11 -7.469 10.791 -7.979 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.941 11.859 -8.846 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.199 11.404 -10.669 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.719 11.646 -9.832 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.804 13.932 -10.332 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.064 14.087 -10.462 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.062 12.940 -12.637 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.767 12.563 -12.490 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.100 15.455 -12.395 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.254 12.968 -14.842 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.306 13.898 -15.915 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.818 16.525 -13.676 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.166 15.855 -15.273 1.00 0.00 H new ATOM 160 N ALA A 12 -7.100 13.834 -7.256 1.00 0.00 N ATOM 161 CA ALA A 12 -7.316 15.156 -6.610 1.00 0.00 C ATOM 162 C ALA A 12 -6.435 15.275 -5.336 1.00 0.00 C ATOM 163 O ALA A 12 -6.032 16.378 -4.948 1.00 0.00 O ATOM 164 CB ALA A 12 -8.814 15.326 -6.292 1.00 0.00 C ATOM 0 H ALA A 12 -7.841 13.159 -7.066 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.019 15.958 -7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.978 16.294 -5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.390 15.272 -7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.135 14.533 -5.617 1.00 0.00 H new ATOM 170 N PHE A 13 -6.173 14.129 -4.680 1.00 0.00 N ATOM 171 CA PHE A 13 -5.375 14.076 -3.426 1.00 0.00 C ATOM 172 C PHE A 13 -3.887 14.385 -3.745 1.00 0.00 C ATOM 173 O PHE A 13 -3.194 15.036 -2.955 1.00 0.00 O ATOM 174 CB PHE A 13 -5.584 12.690 -2.751 1.00 0.00 C ATOM 175 CG PHE A 13 -5.220 12.630 -1.253 1.00 0.00 C ATOM 176 CD1 PHE A 13 -5.184 13.799 -0.484 1.00 0.00 C ATOM 177 CD2 PHE A 13 -4.939 11.400 -0.645 1.00 0.00 C ATOM 178 CE1 PHE A 13 -4.876 13.737 0.873 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.630 11.342 0.712 1.00 0.00 C ATOM 180 CZ PHE A 13 -4.600 12.510 1.470 1.00 0.00 C ATOM 0 H PHE A 13 -6.503 13.217 -4.996 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.707 14.834 -2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.628 12.401 -2.867 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.987 11.950 -3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.396 14.753 -0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.962 10.493 -1.231 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.851 14.642 1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.414 10.391 1.176 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.362 12.464 2.522 1.00 0.00 H new ATOM 190 N LEU A 14 -3.424 13.926 -4.923 1.00 0.00 N ATOM 191 CA LEU A 14 -2.013 14.084 -5.363 1.00 0.00 C ATOM 192 C LEU A 14 -1.956 15.254 -6.382 1.00 0.00 C ATOM 193 O LEU A 14 -2.841 15.393 -7.234 1.00 0.00 O ATOM 194 CB LEU A 14 -1.468 12.757 -5.973 1.00 0.00 C ATOM 195 CG LEU A 14 -1.802 11.434 -5.224 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.987 10.265 -6.212 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.738 11.066 -4.170 1.00 0.00 C ATOM 0 H LEU A 14 -4.010 13.436 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.374 14.315 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.849 12.673 -6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.383 12.839 -6.044 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.741 11.610 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.219 9.355 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.804 10.493 -6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.068 10.120 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.020 10.135 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.229 10.940 -4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.669 11.862 -3.429 1.00 0.00 H new ATOM 209 N SER A 15 -0.888 16.069 -6.295 1.00 0.00 N ATOM 210 CA SER A 15 -0.699 17.258 -7.167 1.00 0.00 C ATOM 211 C SER A 15 0.214 16.889 -8.368 1.00 0.00 C ATOM 212 O SER A 15 0.316 15.717 -8.748 1.00 0.00 O ATOM 213 CB SER A 15 -0.126 18.425 -6.330 1.00 0.00 C ATOM 214 OG SER A 15 -0.695 18.458 -5.025 1.00 0.00 O ATOM 0 H SER A 15 -0.132 15.929 -5.624 1.00 0.00 H new ATOM 0 HA SER A 15 -1.656 17.583 -7.575 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.957 18.323 -6.254 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.322 19.369 -6.838 1.00 0.00 H new ATOM 0 HG SER A 15 -0.312 19.205 -4.520 1.00 0.00 H new ATOM 220 N GLU A 16 0.853 17.911 -8.968 1.00 0.00 N ATOM 221 CA GLU A 16 1.745 17.734 -10.145 1.00 0.00 C ATOM 222 C GLU A 16 3.147 17.296 -9.642 1.00 0.00 C ATOM 223 O GLU A 16 3.819 16.479 -10.283 1.00 0.00 O ATOM 224 CB GLU A 16 1.769 19.031 -11.004 1.00 0.00 C ATOM 225 CG GLU A 16 1.932 18.846 -12.531 1.00 0.00 C ATOM 226 CD GLU A 16 2.873 17.702 -12.927 1.00 0.00 C ATOM 227 OE1 GLU A 16 2.465 16.523 -12.832 1.00 0.00 O ATOM 228 OE2 GLU A 16 4.023 17.978 -13.334 1.00 0.00 O ATOM 0 H GLU A 16 0.771 18.879 -8.658 1.00 0.00 H new ATOM 0 HA GLU A 16 1.372 16.950 -10.804 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.843 19.577 -10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.584 19.661 -10.648 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.951 18.664 -12.971 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.306 19.775 -12.961 1.00 0.00 H new ATOM 235 N GLU A 17 3.566 17.857 -8.489 1.00 0.00 N ATOM 236 CA GLU A 17 4.921 17.620 -7.921 1.00 0.00 C ATOM 237 C GLU A 17 4.915 16.239 -7.209 1.00 0.00 C ATOM 238 O GLU A 17 5.898 15.492 -7.272 1.00 0.00 O ATOM 239 CB GLU A 17 5.349 18.794 -6.992 1.00 0.00 C ATOM 240 CG GLU A 17 6.865 19.091 -6.905 1.00 0.00 C ATOM 241 CD GLU A 17 7.233 20.185 -5.899 1.00 0.00 C ATOM 242 OE1 GLU A 17 6.471 20.398 -4.930 1.00 0.00 O ATOM 243 OE2 GLU A 17 8.285 20.839 -6.074 1.00 0.00 O ATOM 0 H GLU A 17 2.987 18.481 -7.927 1.00 0.00 H new ATOM 0 HA GLU A 17 5.671 17.591 -8.711 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.844 19.698 -7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.985 18.583 -5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.389 18.174 -6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.224 19.385 -7.892 1.00 0.00 H new ATOM 250 N MET A 18 3.783 15.906 -6.561 1.00 0.00 N ATOM 251 CA MET A 18 3.609 14.617 -5.841 1.00 0.00 C ATOM 252 C MET A 18 3.637 13.476 -6.894 1.00 0.00 C ATOM 253 O MET A 18 4.222 12.412 -6.657 1.00 0.00 O ATOM 254 CB MET A 18 2.302 14.607 -4.997 1.00 0.00 C ATOM 255 CG MET A 18 2.326 15.457 -3.713 1.00 0.00 C ATOM 256 SD MET A 18 2.541 14.392 -2.269 1.00 0.00 S ATOM 257 CE MET A 18 0.851 14.299 -1.644 1.00 0.00 C ATOM 0 H MET A 18 2.965 16.514 -6.518 1.00 0.00 H new ATOM 0 HA MET A 18 4.420 14.472 -5.128 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.483 14.956 -5.626 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.077 13.576 -4.724 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.137 16.183 -3.763 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.398 16.022 -3.624 1.00 0.00 H new ATOM 0 HE1 MET A 18 0.827 13.673 -0.752 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.500 15.300 -1.395 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.204 13.867 -2.407 1.00 0.00 H new ATOM 267 N ILE A 19 2.989 13.714 -8.050 1.00 0.00 N ATOM 268 CA ILE A 19 2.828 12.694 -9.122 1.00 0.00 C ATOM 269 C ILE A 19 4.247 12.438 -9.699 1.00 0.00 C ATOM 270 O ILE A 19 4.568 11.311 -10.097 1.00 0.00 O ATOM 271 CB ILE A 19 1.747 13.123 -10.184 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.302 12.685 -9.785 1.00 0.00 C ATOM 273 CG2 ILE A 19 2.081 12.612 -11.612 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.830 13.630 -10.220 1.00 0.00 C ATOM 0 H ILE A 19 2.561 14.613 -8.274 1.00 0.00 H new ATOM 0 HA ILE A 19 2.431 11.755 -8.736 1.00 0.00 H new ATOM 0 HB ILE A 19 1.776 14.213 -10.197 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.111 11.700 -10.211 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.262 12.576 -8.701 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.304 12.935 -12.305 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.042 13.018 -11.928 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.132 11.523 -11.606 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.787 13.227 -9.890 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.676 14.612 -9.773 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.830 13.722 -11.306 1.00 0.00 H new ATOM 286 N ALA A 20 5.074 13.498 -9.771 1.00 0.00 N ATOM 287 CA ALA A 20 6.426 13.434 -10.389 1.00 0.00 C ATOM 288 C ALA A 20 7.312 12.400 -9.642 1.00 0.00 C ATOM 289 O ALA A 20 8.092 11.670 -10.266 1.00 0.00 O ATOM 290 CB ALA A 20 7.051 14.842 -10.374 1.00 0.00 C ATOM 0 H ALA A 20 4.833 14.420 -9.407 1.00 0.00 H new ATOM 0 HA ALA A 20 6.349 13.101 -11.424 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.043 14.805 -10.825 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.420 15.526 -10.941 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.133 15.193 -9.345 1.00 0.00 H new ATOM 296 N GLU A 21 7.199 12.373 -8.301 1.00 0.00 N ATOM 297 CA GLU A 21 8.054 11.523 -7.431 1.00 0.00 C ATOM 298 C GLU A 21 7.826 10.036 -7.819 1.00 0.00 C ATOM 299 O GLU A 21 8.764 9.230 -7.820 1.00 0.00 O ATOM 300 CB GLU A 21 7.768 11.827 -5.933 1.00 0.00 C ATOM 301 CG GLU A 21 8.213 10.753 -4.912 1.00 0.00 C ATOM 302 CD GLU A 21 7.557 10.888 -3.534 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.394 11.343 -3.459 1.00 0.00 O ATOM 304 OE2 GLU A 21 8.203 10.543 -2.519 1.00 0.00 O ATOM 0 H GLU A 21 6.519 12.933 -7.787 1.00 0.00 H new ATOM 0 HA GLU A 21 9.111 11.745 -7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.259 12.766 -5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.696 11.985 -5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.985 9.767 -5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.295 10.806 -4.794 1.00 0.00 H new ATOM 311 N PHE A 22 6.561 9.687 -8.119 1.00 0.00 N ATOM 312 CA PHE A 22 6.148 8.291 -8.421 1.00 0.00 C ATOM 313 C PHE A 22 6.527 7.957 -9.891 1.00 0.00 C ATOM 314 O PHE A 22 6.784 6.792 -10.222 1.00 0.00 O ATOM 315 CB PHE A 22 4.625 8.103 -8.150 1.00 0.00 C ATOM 316 CG PHE A 22 4.205 8.192 -6.668 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.144 9.435 -6.027 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.905 7.033 -5.944 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.812 9.514 -4.676 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.572 7.114 -4.593 1.00 0.00 C ATOM 321 CZ PHE A 22 3.517 8.355 -3.964 1.00 0.00 C ATOM 0 H PHE A 22 5.794 10.358 -8.161 1.00 0.00 H new ATOM 0 HA PHE A 22 6.673 7.596 -7.766 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.076 8.858 -8.712 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.320 7.132 -8.540 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.355 10.337 -6.582 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.932 6.071 -6.434 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.784 10.474 -4.182 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.357 6.215 -4.035 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.245 8.418 -2.921 1.00 0.00 H new ATOM 331 N LYS A 23 6.527 8.980 -10.765 1.00 0.00 N ATOM 332 CA LYS A 23 6.756 8.815 -12.226 1.00 0.00 C ATOM 333 C LYS A 23 8.077 8.023 -12.421 1.00 0.00 C ATOM 334 O LYS A 23 8.128 7.062 -13.199 1.00 0.00 O ATOM 335 CB LYS A 23 6.819 10.192 -12.951 1.00 0.00 C ATOM 336 CG LYS A 23 5.509 10.718 -13.587 1.00 0.00 C ATOM 337 CD LYS A 23 5.178 10.125 -14.973 1.00 0.00 C ATOM 338 CE LYS A 23 4.181 10.989 -15.766 1.00 0.00 C ATOM 339 NZ LYS A 23 4.627 12.390 -15.851 1.00 0.00 N ATOM 0 H LYS A 23 6.369 9.948 -10.485 1.00 0.00 H new ATOM 0 HA LYS A 23 5.923 8.267 -12.667 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.169 10.935 -12.234 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.573 10.126 -13.736 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.682 10.505 -12.910 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.576 11.802 -13.678 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.098 10.019 -15.548 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.765 9.124 -14.846 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.064 10.582 -16.770 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.202 10.946 -15.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.224 12.831 -16.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.307 12.908 -15.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.665 12.421 -15.903 1.00 0.00 H new ATOM 353 N ALA A 24 9.145 8.460 -11.728 1.00 0.00 N ATOM 354 CA ALA A 24 10.506 7.881 -11.885 1.00 0.00 C ATOM 355 C ALA A 24 10.459 6.346 -11.650 1.00 0.00 C ATOM 356 O ALA A 24 10.861 5.556 -12.512 1.00 0.00 O ATOM 357 CB ALA A 24 11.468 8.584 -10.909 1.00 0.00 C ATOM 0 H ALA A 24 9.097 9.218 -11.047 1.00 0.00 H new ATOM 0 HA ALA A 24 10.871 8.043 -12.899 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.468 8.165 -11.018 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.496 9.651 -11.131 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.122 8.435 -9.886 1.00 0.00 H new ATOM 363 N ALA A 25 9.960 5.943 -10.466 1.00 0.00 N ATOM 364 CA ALA A 25 9.914 4.518 -10.045 1.00 0.00 C ATOM 365 C ALA A 25 8.794 3.743 -10.792 1.00 0.00 C ATOM 366 O ALA A 25 8.740 2.507 -10.702 1.00 0.00 O ATOM 367 CB ALA A 25 9.720 4.460 -8.514 1.00 0.00 C ATOM 0 H ALA A 25 9.578 6.587 -9.774 1.00 0.00 H new ATOM 0 HA ALA A 25 10.854 4.032 -10.307 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.684 3.420 -8.191 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.552 4.964 -8.022 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.786 4.955 -8.247 1.00 0.00 H new ATOM 373 N PHE A 26 7.902 4.459 -11.500 1.00 0.00 N ATOM 374 CA PHE A 26 6.738 3.851 -12.199 1.00 0.00 C ATOM 375 C PHE A 26 7.261 3.129 -13.472 1.00 0.00 C ATOM 376 O PHE A 26 6.893 1.981 -13.743 1.00 0.00 O ATOM 377 CB PHE A 26 5.657 4.922 -12.535 1.00 0.00 C ATOM 378 CG PHE A 26 4.499 4.426 -13.429 1.00 0.00 C ATOM 379 CD1 PHE A 26 4.613 4.471 -14.823 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.316 3.950 -12.853 1.00 0.00 C ATOM 381 CE1 PHE A 26 3.576 4.005 -15.628 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.281 3.483 -13.660 1.00 0.00 C ATOM 383 CZ PHE A 26 2.411 3.514 -15.046 1.00 0.00 C ATOM 0 H PHE A 26 7.960 5.472 -11.608 1.00 0.00 H new ATOM 0 HA PHE A 26 6.249 3.125 -11.549 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.239 5.299 -11.602 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.143 5.763 -13.030 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.509 4.869 -15.277 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.205 3.945 -11.779 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.676 4.025 -16.703 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.378 3.097 -13.211 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.606 3.156 -15.671 1.00 0.00 H new ATOM 393 N ASP A 27 8.141 3.814 -14.226 1.00 0.00 N ATOM 394 CA ASP A 27 8.759 3.257 -15.459 1.00 0.00 C ATOM 395 C ASP A 27 9.682 2.072 -15.062 1.00 0.00 C ATOM 396 O ASP A 27 9.784 1.083 -15.798 1.00 0.00 O ATOM 397 CB ASP A 27 9.506 4.354 -16.272 1.00 0.00 C ATOM 398 CG ASP A 27 8.682 5.071 -17.355 1.00 0.00 C ATOM 399 OD1 ASP A 27 7.449 5.202 -17.189 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.265 5.497 -18.377 1.00 0.00 O ATOM 0 H ASP A 27 8.446 4.762 -14.006 1.00 0.00 H new ATOM 0 HA ASP A 27 7.980 2.883 -16.124 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.881 5.103 -15.574 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.374 3.898 -16.747 1.00 0.00 H new ATOM 405 N MET A 28 10.336 2.186 -13.889 1.00 0.00 N ATOM 406 CA MET A 28 11.243 1.129 -13.363 1.00 0.00 C ATOM 407 C MET A 28 10.394 -0.151 -13.135 1.00 0.00 C ATOM 408 O MET A 28 10.825 -1.262 -13.467 1.00 0.00 O ATOM 409 CB MET A 28 11.979 1.584 -12.070 1.00 0.00 C ATOM 410 CG MET A 28 13.319 0.883 -11.777 1.00 0.00 C ATOM 411 SD MET A 28 14.688 1.868 -12.425 1.00 0.00 S ATOM 412 CE MET A 28 14.985 3.004 -11.055 1.00 0.00 C ATOM 0 H MET A 28 10.257 3.001 -13.281 1.00 0.00 H new ATOM 0 HA MET A 28 12.033 0.923 -14.085 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.159 2.657 -12.136 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.314 1.424 -11.221 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.438 0.743 -10.703 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.327 -0.108 -12.231 1.00 0.00 H new ATOM 0 HE1 MET A 28 15.805 3.675 -11.310 1.00 0.00 H new ATOM 0 HE2 MET A 28 14.084 3.588 -10.864 1.00 0.00 H new ATOM 0 HE3 MET A 28 15.245 2.436 -10.162 1.00 0.00 H new ATOM 422 N PHE A 29 9.181 0.029 -12.577 1.00 0.00 N ATOM 423 CA PHE A 29 8.258 -1.099 -12.277 1.00 0.00 C ATOM 424 C PHE A 29 7.902 -1.809 -13.612 1.00 0.00 C ATOM 425 O PHE A 29 7.791 -3.039 -13.664 1.00 0.00 O ATOM 426 CB PHE A 29 6.989 -0.597 -11.526 1.00 0.00 C ATOM 427 CG PHE A 29 6.203 -1.677 -10.756 1.00 0.00 C ATOM 428 CD1 PHE A 29 6.727 -2.968 -10.609 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.962 -1.373 -10.184 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.012 -3.941 -9.914 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.250 -2.348 -9.490 1.00 0.00 C ATOM 432 CZ PHE A 29 4.769 -3.634 -9.367 1.00 0.00 C ATOM 0 H PHE A 29 8.811 0.945 -12.322 1.00 0.00 H new ATOM 0 HA PHE A 29 8.744 -1.814 -11.613 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.288 0.181 -10.823 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.320 -0.132 -12.250 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.689 -3.210 -11.036 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.555 -0.377 -10.281 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.422 -4.934 -9.800 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.295 -2.107 -9.047 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.206 -4.395 -8.846 1.00 0.00 H new ATOM 442 N ASP A 30 7.756 -1.013 -14.688 1.00 0.00 N ATOM 443 CA ASP A 30 7.377 -1.525 -16.032 1.00 0.00 C ATOM 444 C ASP A 30 8.631 -2.156 -16.696 1.00 0.00 C ATOM 445 O ASP A 30 9.760 -1.957 -16.231 1.00 0.00 O ATOM 446 CB ASP A 30 6.730 -0.413 -16.908 1.00 0.00 C ATOM 447 CG ASP A 30 5.831 -0.896 -18.059 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.168 -1.946 -17.910 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.789 -0.227 -19.115 1.00 0.00 O ATOM 0 H ASP A 30 7.895 -0.003 -14.658 1.00 0.00 H new ATOM 0 HA ASP A 30 6.613 -2.296 -15.929 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.139 0.234 -16.260 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.527 0.199 -17.329 1.00 0.00 H new ATOM 454 N ALA A 31 8.411 -2.918 -17.784 1.00 0.00 N ATOM 455 CA ALA A 31 9.504 -3.593 -18.537 1.00 0.00 C ATOM 456 C ALA A 31 9.145 -3.701 -20.046 1.00 0.00 C ATOM 457 O ALA A 31 9.617 -4.610 -20.740 1.00 0.00 O ATOM 458 CB ALA A 31 9.760 -4.977 -17.911 1.00 0.00 C ATOM 0 H ALA A 31 7.482 -3.087 -18.169 1.00 0.00 H new ATOM 0 HA ALA A 31 10.419 -3.004 -18.470 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.559 -5.480 -18.455 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.052 -4.856 -16.868 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.851 -5.575 -17.967 1.00 0.00 H new ATOM 464 N ASP A 32 8.287 -2.783 -20.526 1.00 0.00 N ATOM 465 CA ASP A 32 7.792 -2.775 -21.928 1.00 0.00 C ATOM 466 C ASP A 32 8.315 -1.496 -22.635 1.00 0.00 C ATOM 467 O ASP A 32 9.241 -1.557 -23.453 1.00 0.00 O ATOM 468 CB ASP A 32 6.242 -2.903 -21.991 1.00 0.00 C ATOM 469 CG ASP A 32 5.690 -4.305 -22.302 1.00 0.00 C ATOM 470 OD1 ASP A 32 6.416 -5.117 -22.918 1.00 0.00 O ATOM 471 OD2 ASP A 32 4.529 -4.594 -21.938 1.00 0.00 O ATOM 0 H ASP A 32 7.913 -2.023 -19.958 1.00 0.00 H new ATOM 0 HA ASP A 32 8.178 -3.646 -22.457 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.832 -2.577 -21.035 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.871 -2.213 -22.749 1.00 0.00 H new ATOM 476 N GLY A 33 7.730 -0.335 -22.284 1.00 0.00 N ATOM 477 CA GLY A 33 8.101 0.972 -22.888 1.00 0.00 C ATOM 478 C GLY A 33 6.864 1.893 -23.064 1.00 0.00 C ATOM 479 O GLY A 33 6.970 3.123 -22.992 1.00 0.00 O ATOM 0 H GLY A 33 6.993 -0.269 -21.581 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.838 1.469 -22.257 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.572 0.805 -23.857 1.00 0.00 H new ATOM 483 N GLY A 34 5.693 1.278 -23.326 1.00 0.00 N ATOM 484 CA GLY A 34 4.441 2.024 -23.609 1.00 0.00 C ATOM 485 C GLY A 34 4.045 2.894 -22.389 1.00 0.00 C ATOM 486 O GLY A 34 4.169 4.124 -22.413 1.00 0.00 O ATOM 0 H GLY A 34 5.584 0.264 -23.348 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.577 2.656 -24.486 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.638 1.325 -23.842 1.00 0.00 H new ATOM 490 N GLY A 35 3.539 2.234 -21.328 1.00 0.00 N ATOM 491 CA GLY A 35 3.182 2.911 -20.056 1.00 0.00 C ATOM 492 C GLY A 35 2.588 1.887 -19.054 1.00 0.00 C ATOM 493 O GLY A 35 3.134 1.682 -17.962 1.00 0.00 O ATOM 0 H GLY A 35 3.366 1.229 -21.323 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.066 3.382 -19.625 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.460 3.704 -20.248 1.00 0.00 H new ATOM 497 N ASP A 36 1.472 1.247 -19.449 1.00 0.00 N ATOM 498 CA ASP A 36 0.717 0.307 -18.580 1.00 0.00 C ATOM 499 C ASP A 36 1.638 -0.893 -18.226 1.00 0.00 C ATOM 500 O ASP A 36 2.557 -1.228 -18.984 1.00 0.00 O ATOM 501 CB ASP A 36 -0.620 -0.139 -19.242 1.00 0.00 C ATOM 502 CG ASP A 36 -1.224 0.834 -20.268 1.00 0.00 C ATOM 503 OD1 ASP A 36 -1.795 1.869 -19.859 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.134 0.561 -21.486 1.00 0.00 O ATOM 0 H ASP A 36 1.064 1.362 -20.377 1.00 0.00 H new ATOM 0 HA ASP A 36 0.431 0.810 -17.657 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.456 -1.098 -19.734 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.354 -0.306 -18.454 1.00 0.00 H new ATOM 509 N ILE A 37 1.398 -1.511 -17.055 1.00 0.00 N ATOM 510 CA ILE A 37 2.146 -2.704 -16.576 1.00 0.00 C ATOM 511 C ILE A 37 1.334 -3.985 -16.911 1.00 0.00 C ATOM 512 O ILE A 37 0.216 -3.909 -17.438 1.00 0.00 O ATOM 513 CB ILE A 37 2.564 -2.629 -15.060 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.544 -1.201 -14.430 1.00 0.00 C ATOM 515 CG2 ILE A 37 3.920 -3.340 -14.819 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.764 -0.829 -13.572 1.00 0.00 C ATOM 0 H ILE A 37 0.676 -1.200 -16.405 1.00 0.00 H new ATOM 0 HA ILE A 37 3.097 -2.735 -17.108 1.00 0.00 H new ATOM 0 HB ILE A 37 1.779 -3.167 -14.528 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.454 -0.471 -15.235 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.649 -1.109 -13.814 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.184 -3.272 -13.764 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.837 -4.388 -15.106 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.694 -2.860 -15.418 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.643 0.183 -13.186 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.850 -1.527 -12.739 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.666 -0.879 -14.181 1.00 0.00 H new ATOM 528 N SER A 38 1.895 -5.161 -16.571 1.00 0.00 N ATOM 529 CA SER A 38 1.217 -6.471 -16.768 1.00 0.00 C ATOM 530 C SER A 38 1.499 -7.397 -15.554 1.00 0.00 C ATOM 531 O SER A 38 2.033 -6.953 -14.531 1.00 0.00 O ATOM 532 CB SER A 38 1.680 -7.093 -18.105 1.00 0.00 C ATOM 533 OG SER A 38 2.722 -8.042 -17.905 1.00 0.00 O ATOM 0 H SER A 38 2.823 -5.238 -16.155 1.00 0.00 H new ATOM 0 HA SER A 38 0.137 -6.334 -16.825 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.835 -7.577 -18.595 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.027 -6.305 -18.773 1.00 0.00 H new ATOM 0 HG SER A 38 2.992 -8.419 -18.769 1.00 0.00 H new ATOM 539 N THR A 39 1.158 -8.691 -15.703 1.00 0.00 N ATOM 540 CA THR A 39 1.352 -9.718 -14.645 1.00 0.00 C ATOM 541 C THR A 39 2.850 -10.126 -14.612 1.00 0.00 C ATOM 542 O THR A 39 3.561 -9.842 -13.638 1.00 0.00 O ATOM 543 CB THR A 39 0.399 -10.941 -14.833 1.00 0.00 C ATOM 544 OG1 THR A 39 0.079 -11.124 -16.210 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.922 -10.870 -14.044 1.00 0.00 C ATOM 0 H THR A 39 0.740 -9.060 -16.557 1.00 0.00 H new ATOM 0 HA THR A 39 1.085 -9.294 -13.677 1.00 0.00 H new ATOM 0 HB THR A 39 0.965 -11.782 -14.433 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.517 -11.896 -16.308 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.512 -11.765 -14.242 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.706 -10.806 -12.978 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.484 -9.989 -14.354 1.00 0.00 H new ATOM 553 N LYS A 40 3.318 -10.796 -15.682 1.00 0.00 N ATOM 554 CA LYS A 40 4.728 -11.255 -15.797 1.00 0.00 C ATOM 555 C LYS A 40 5.666 -10.041 -15.556 1.00 0.00 C ATOM 556 O LYS A 40 6.774 -10.192 -15.028 1.00 0.00 O ATOM 557 CB LYS A 40 4.933 -11.944 -17.177 1.00 0.00 C ATOM 558 CG LYS A 40 6.312 -12.606 -17.426 1.00 0.00 C ATOM 559 CD LYS A 40 6.795 -12.803 -18.883 1.00 0.00 C ATOM 560 CE LYS A 40 6.610 -14.209 -19.493 1.00 0.00 C ATOM 561 NZ LYS A 40 5.202 -14.571 -19.736 1.00 0.00 N ATOM 0 H LYS A 40 2.741 -11.036 -16.488 1.00 0.00 H new ATOM 0 HA LYS A 40 4.973 -12.002 -15.042 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.163 -12.707 -17.294 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.767 -11.201 -17.957 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.062 -12.009 -16.908 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.298 -13.586 -16.948 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.270 -12.087 -19.515 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.854 -12.550 -18.927 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.157 -14.261 -20.435 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.055 -14.946 -18.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.155 -15.526 -20.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.679 -14.553 -18.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.777 -13.890 -20.397 1.00 0.00 H new ATOM 575 N GLU A 41 5.212 -8.846 -15.977 1.00 0.00 N ATOM 576 CA GLU A 41 5.981 -7.583 -15.826 1.00 0.00 C ATOM 577 C GLU A 41 6.204 -7.302 -14.315 1.00 0.00 C ATOM 578 O GLU A 41 7.316 -6.968 -13.891 1.00 0.00 O ATOM 579 CB GLU A 41 5.276 -6.404 -16.558 1.00 0.00 C ATOM 580 CG GLU A 41 6.171 -5.342 -17.245 1.00 0.00 C ATOM 581 CD GLU A 41 5.617 -4.818 -18.573 1.00 0.00 C ATOM 582 OE1 GLU A 41 4.378 -4.707 -18.709 1.00 0.00 O ATOM 583 OE2 GLU A 41 6.417 -4.518 -19.487 1.00 0.00 O ATOM 0 H GLU A 41 4.307 -8.722 -16.430 1.00 0.00 H new ATOM 0 HA GLU A 41 6.957 -7.688 -16.300 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.616 -6.827 -17.316 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.643 -5.891 -15.834 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.306 -4.502 -16.564 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.157 -5.772 -17.420 1.00 0.00 H new ATOM 590 N LEU A 42 5.122 -7.415 -13.522 1.00 0.00 N ATOM 591 CA LEU A 42 5.136 -7.089 -12.071 1.00 0.00 C ATOM 592 C LEU A 42 6.301 -7.872 -11.409 1.00 0.00 C ATOM 593 O LEU A 42 6.949 -7.379 -10.478 1.00 0.00 O ATOM 594 CB LEU A 42 3.763 -7.429 -11.414 1.00 0.00 C ATOM 595 CG LEU A 42 2.817 -6.243 -11.068 1.00 0.00 C ATOM 596 CD1 LEU A 42 1.497 -6.287 -11.866 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.514 -6.192 -9.557 1.00 0.00 C ATOM 0 H LEU A 42 4.214 -7.733 -13.861 1.00 0.00 H new ATOM 0 HA LEU A 42 5.294 -6.020 -11.926 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.227 -8.102 -12.084 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.958 -7.982 -10.495 1.00 0.00 H new ATOM 0 HG LEU A 42 3.349 -5.336 -11.356 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.874 -5.437 -11.586 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.715 -6.241 -12.933 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.968 -7.214 -11.643 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.851 -5.353 -9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.032 -7.121 -9.251 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.444 -6.066 -9.003 1.00 0.00 H new ATOM 609 N GLY A 43 6.536 -9.111 -11.883 1.00 0.00 N ATOM 610 CA GLY A 43 7.534 -10.032 -11.284 1.00 0.00 C ATOM 611 C GLY A 43 8.974 -9.628 -11.691 1.00 0.00 C ATOM 612 O GLY A 43 9.922 -9.808 -10.915 1.00 0.00 O ATOM 0 H GLY A 43 6.045 -9.504 -12.686 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.441 -10.018 -10.198 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.333 -11.053 -11.608 1.00 0.00 H new ATOM 616 N THR A 44 9.124 -9.112 -12.924 1.00 0.00 N ATOM 617 CA THR A 44 10.447 -8.778 -13.514 1.00 0.00 C ATOM 618 C THR A 44 11.253 -7.925 -12.496 1.00 0.00 C ATOM 619 O THR A 44 12.392 -8.263 -12.151 1.00 0.00 O ATOM 620 CB THR A 44 10.308 -8.083 -14.905 1.00 0.00 C ATOM 621 OG1 THR A 44 10.031 -9.043 -15.922 1.00 0.00 O ATOM 622 CG2 THR A 44 11.530 -7.258 -15.351 1.00 0.00 C ATOM 0 H THR A 44 8.338 -8.913 -13.543 1.00 0.00 H new ATOM 0 HA THR A 44 10.998 -9.699 -13.707 1.00 0.00 H new ATOM 0 HB THR A 44 9.483 -7.384 -14.771 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.946 -8.589 -16.786 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.334 -6.817 -16.328 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.718 -6.466 -14.626 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.403 -7.907 -15.415 1.00 0.00 H new ATOM 630 N VAL A 45 10.655 -6.805 -12.052 1.00 0.00 N ATOM 631 CA VAL A 45 11.320 -5.811 -11.166 1.00 0.00 C ATOM 632 C VAL A 45 11.595 -6.499 -9.801 1.00 0.00 C ATOM 633 O VAL A 45 12.579 -6.172 -9.122 1.00 0.00 O ATOM 634 CB VAL A 45 10.489 -4.483 -11.048 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.964 -4.185 -9.620 1.00 0.00 C ATOM 636 CG2 VAL A 45 11.265 -3.238 -11.541 1.00 0.00 C ATOM 0 H VAL A 45 9.696 -6.556 -12.293 1.00 0.00 H new ATOM 0 HA VAL A 45 12.272 -5.495 -11.593 1.00 0.00 H new ATOM 0 HB VAL A 45 9.635 -4.670 -11.699 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.401 -3.251 -9.627 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.315 -4.998 -9.294 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.806 -4.096 -8.934 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.638 -2.353 -11.434 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.171 -3.115 -10.947 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.533 -3.368 -12.589 1.00 0.00 H new ATOM 646 N MET A 46 10.704 -7.422 -9.392 1.00 0.00 N ATOM 647 CA MET A 46 10.785 -8.102 -8.071 1.00 0.00 C ATOM 648 C MET A 46 12.110 -8.909 -8.018 1.00 0.00 C ATOM 649 O MET A 46 12.704 -9.074 -6.944 1.00 0.00 O ATOM 650 CB MET A 46 9.540 -8.999 -7.818 1.00 0.00 C ATOM 651 CG MET A 46 8.230 -8.253 -7.498 1.00 0.00 C ATOM 652 SD MET A 46 7.376 -9.062 -6.126 1.00 0.00 S ATOM 653 CE MET A 46 6.577 -10.442 -6.972 1.00 0.00 C ATOM 0 H MET A 46 9.910 -7.721 -9.959 1.00 0.00 H new ATOM 0 HA MET A 46 10.787 -7.362 -7.271 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.377 -9.619 -8.700 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.763 -9.673 -6.991 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.446 -7.216 -7.242 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.587 -8.237 -8.378 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.012 -11.032 -6.251 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.901 -10.058 -7.736 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.335 -11.070 -7.440 1.00 0.00 H new ATOM 663 N ARG A 47 12.544 -9.434 -9.178 1.00 0.00 N ATOM 664 CA ARG A 47 13.745 -10.306 -9.286 1.00 0.00 C ATOM 665 C ARG A 47 14.972 -9.582 -8.664 1.00 0.00 C ATOM 666 O ARG A 47 15.893 -10.233 -8.157 1.00 0.00 O ATOM 667 CB ARG A 47 14.010 -10.683 -10.770 1.00 0.00 C ATOM 668 CG ARG A 47 15.116 -9.853 -11.463 1.00 0.00 C ATOM 669 CD ARG A 47 15.235 -10.140 -12.973 1.00 0.00 C ATOM 670 NE ARG A 47 15.751 -11.507 -13.244 1.00 0.00 N ATOM 671 CZ ARG A 47 16.330 -11.901 -14.397 1.00 0.00 C ATOM 672 NH1 ARG A 47 16.509 -11.106 -15.452 1.00 0.00 N ATOM 673 NH2 ARG A 47 16.747 -13.150 -14.487 1.00 0.00 N ATOM 0 H ARG A 47 12.078 -9.271 -10.070 1.00 0.00 H new ATOM 0 HA ARG A 47 13.570 -11.230 -8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.282 -11.737 -10.819 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.083 -10.566 -11.331 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.911 -8.793 -11.316 1.00 0.00 H new ATOM 0 HG3 ARG A 47 16.072 -10.062 -10.984 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.258 -10.022 -13.442 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.898 -9.406 -13.430 1.00 0.00 H new ATOM 0 HE ARG A 47 15.660 -12.200 -12.501 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.200 -10.135 -15.417 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.955 -11.469 -16.294 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.627 -13.786 -13.698 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.189 -13.480 -15.345 1.00 0.00 H new ATOM 687 N MET A 48 14.983 -8.238 -8.742 1.00 0.00 N ATOM 688 CA MET A 48 16.126 -7.397 -8.302 1.00 0.00 C ATOM 689 C MET A 48 16.567 -7.869 -6.890 1.00 0.00 C ATOM 690 O MET A 48 17.767 -7.944 -6.597 1.00 0.00 O ATOM 691 CB MET A 48 15.755 -5.884 -8.321 1.00 0.00 C ATOM 692 CG MET A 48 15.733 -5.214 -9.706 1.00 0.00 C ATOM 693 SD MET A 48 17.390 -5.200 -10.425 1.00 0.00 S ATOM 694 CE MET A 48 17.047 -5.752 -12.111 1.00 0.00 C ATOM 0 H MET A 48 14.201 -7.698 -9.112 1.00 0.00 H new ATOM 0 HA MET A 48 16.960 -7.514 -8.995 1.00 0.00 H new ATOM 0 HB2 MET A 48 14.772 -5.765 -7.866 1.00 0.00 H new ATOM 0 HB3 MET A 48 16.465 -5.348 -7.691 1.00 0.00 H new ATOM 0 HG2 MET A 48 15.048 -5.748 -10.365 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.359 -4.194 -9.618 1.00 0.00 H new ATOM 0 HE1 MET A 48 17.978 -5.793 -12.677 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.595 -6.743 -12.084 1.00 0.00 H new ATOM 0 HE3 MET A 48 16.361 -5.053 -12.590 1.00 0.00 H new ATOM 704 N LEU A 49 15.583 -8.153 -6.017 1.00 0.00 N ATOM 705 CA LEU A 49 15.833 -8.601 -4.621 1.00 0.00 C ATOM 706 C LEU A 49 16.881 -9.745 -4.660 1.00 0.00 C ATOM 707 O LEU A 49 17.988 -9.614 -4.123 1.00 0.00 O ATOM 708 CB LEU A 49 14.507 -9.053 -3.937 1.00 0.00 C ATOM 709 CG LEU A 49 13.498 -7.941 -3.526 1.00 0.00 C ATOM 710 CD1 LEU A 49 13.416 -6.804 -4.566 1.00 0.00 C ATOM 711 CD2 LEU A 49 12.093 -8.525 -3.278 1.00 0.00 C ATOM 0 H LEU A 49 14.593 -8.081 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 49 16.223 -7.776 -4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.996 -9.739 -4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.766 -9.620 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 49 13.876 -7.515 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 49 12.698 -6.055 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 49 14.397 -6.342 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 49 13.095 -7.211 -5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.411 -7.724 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.731 -9.002 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.142 -9.262 -2.477 1.00 0.00 H new ATOM 723 N GLY A 50 16.504 -10.881 -5.279 1.00 0.00 N ATOM 724 CA GLY A 50 17.362 -12.092 -5.327 1.00 0.00 C ATOM 725 C GLY A 50 16.609 -13.253 -6.026 1.00 0.00 C ATOM 726 O GLY A 50 17.053 -13.757 -7.067 1.00 0.00 O ATOM 0 H GLY A 50 15.609 -10.990 -5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.285 -11.872 -5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.644 -12.388 -4.316 1.00 0.00 H new ATOM 730 N GLN A 51 15.486 -13.685 -5.422 1.00 0.00 N ATOM 731 CA GLN A 51 14.601 -14.736 -5.991 1.00 0.00 C ATOM 732 C GLN A 51 13.713 -14.084 -7.085 1.00 0.00 C ATOM 733 O GLN A 51 13.529 -12.860 -7.101 1.00 0.00 O ATOM 734 CB GLN A 51 13.764 -15.404 -4.863 1.00 0.00 C ATOM 735 CG GLN A 51 13.374 -14.494 -3.672 1.00 0.00 C ATOM 736 CD GLN A 51 12.004 -14.813 -3.046 1.00 0.00 C ATOM 737 OE1 GLN A 51 11.905 -15.158 -1.869 1.00 0.00 O ATOM 738 NE2 GLN A 51 10.927 -14.702 -3.809 1.00 0.00 N ATOM 0 H GLN A 51 15.161 -13.320 -4.527 1.00 0.00 H new ATOM 0 HA GLN A 51 15.188 -15.531 -6.451 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.850 -15.802 -5.304 1.00 0.00 H new ATOM 0 HB3 GLN A 51 14.327 -16.253 -4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 51 14.140 -14.578 -2.901 1.00 0.00 H new ATOM 0 HG3 GLN A 51 13.373 -13.457 -4.009 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.020 -14.415 -4.783 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.005 -14.903 -3.422 1.00 0.00 H new ATOM 747 N ASN A 52 13.145 -14.920 -7.975 1.00 0.00 N ATOM 748 CA ASN A 52 12.245 -14.453 -9.063 1.00 0.00 C ATOM 749 C ASN A 52 11.043 -15.450 -9.251 1.00 0.00 C ATOM 750 O ASN A 52 11.185 -16.400 -10.030 1.00 0.00 O ATOM 751 CB ASN A 52 13.079 -14.277 -10.362 1.00 0.00 C ATOM 752 CG ASN A 52 12.483 -13.287 -11.386 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.578 -12.514 -11.075 1.00 0.00 O ATOM 754 ND2 ASN A 52 12.979 -13.284 -12.615 1.00 0.00 N ATOM 0 H ASN A 52 13.291 -15.929 -7.967 1.00 0.00 H new ATOM 0 HA ASN A 52 11.808 -13.488 -8.804 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.079 -13.939 -10.092 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.189 -15.250 -10.841 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.610 -12.637 -13.312 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.729 -13.929 -12.864 1.00 0.00 H new ATOM 761 N PRO A 53 9.860 -15.285 -8.577 1.00 0.00 N ATOM 762 CA PRO A 53 8.663 -16.133 -8.806 1.00 0.00 C ATOM 763 C PRO A 53 8.356 -16.313 -10.319 1.00 0.00 C ATOM 764 O PRO A 53 8.886 -15.582 -11.164 1.00 0.00 O ATOM 765 CB PRO A 53 7.566 -15.374 -8.034 1.00 0.00 C ATOM 766 CG PRO A 53 8.269 -14.529 -6.970 1.00 0.00 C ATOM 767 CD PRO A 53 9.650 -14.236 -7.548 1.00 0.00 C ATOM 0 HA PRO A 53 8.775 -17.161 -8.461 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.988 -14.742 -8.708 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.867 -16.071 -7.572 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.721 -13.608 -6.772 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.343 -15.066 -6.024 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.692 -13.239 -7.985 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.419 -14.279 -6.777 1.00 0.00 H new ATOM 775 N THR A 54 7.468 -17.273 -10.637 1.00 0.00 N ATOM 776 CA THR A 54 7.057 -17.571 -12.035 1.00 0.00 C ATOM 777 C THR A 54 5.756 -16.784 -12.354 1.00 0.00 C ATOM 778 O THR A 54 5.247 -16.025 -11.520 1.00 0.00 O ATOM 779 CB THR A 54 6.911 -19.105 -12.290 1.00 0.00 C ATOM 780 OG1 THR A 54 7.144 -19.411 -13.663 1.00 0.00 O ATOM 781 CG2 THR A 54 5.551 -19.709 -11.893 1.00 0.00 C ATOM 0 H THR A 54 7.013 -17.865 -9.942 1.00 0.00 H new ATOM 0 HA THR A 54 7.840 -17.242 -12.718 1.00 0.00 H new ATOM 0 HB THR A 54 7.662 -19.555 -11.640 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.050 -20.376 -13.804 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.550 -20.777 -12.109 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.381 -19.554 -10.827 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.757 -19.223 -12.461 1.00 0.00 H new ATOM 789 N LYS A 55 5.238 -16.966 -13.584 1.00 0.00 N ATOM 790 CA LYS A 55 4.042 -16.235 -14.083 1.00 0.00 C ATOM 791 C LYS A 55 2.838 -16.587 -13.168 1.00 0.00 C ATOM 792 O LYS A 55 1.945 -15.757 -12.957 1.00 0.00 O ATOM 793 CB LYS A 55 3.780 -16.586 -15.579 1.00 0.00 C ATOM 794 CG LYS A 55 2.461 -16.068 -16.204 1.00 0.00 C ATOM 795 CD LYS A 55 1.976 -16.836 -17.454 1.00 0.00 C ATOM 796 CE LYS A 55 2.288 -18.346 -17.446 1.00 0.00 C ATOM 797 NZ LYS A 55 2.426 -18.921 -18.798 1.00 0.00 N ATOM 0 H LYS A 55 5.630 -17.619 -14.262 1.00 0.00 H new ATOM 0 HA LYS A 55 4.202 -15.157 -14.043 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.610 -16.196 -16.168 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.799 -17.671 -15.680 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.679 -16.109 -15.446 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.592 -15.019 -16.470 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.898 -16.702 -17.550 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.433 -16.390 -18.337 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.210 -18.516 -16.890 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.494 -18.871 -16.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.635 -19.937 -18.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.539 -18.788 -19.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.202 -18.444 -19.301 1.00 0.00 H new ATOM 811 N GLU A 56 2.811 -17.832 -12.657 1.00 0.00 N ATOM 812 CA GLU A 56 1.674 -18.359 -11.855 1.00 0.00 C ATOM 813 C GLU A 56 1.379 -17.367 -10.696 1.00 0.00 C ATOM 814 O GLU A 56 0.284 -16.796 -10.608 1.00 0.00 O ATOM 815 CB GLU A 56 1.984 -19.804 -11.367 1.00 0.00 C ATOM 816 CG GLU A 56 1.135 -20.333 -10.187 1.00 0.00 C ATOM 817 CD GLU A 56 -0.068 -21.182 -10.610 1.00 0.00 C ATOM 818 OE1 GLU A 56 0.094 -22.408 -10.802 1.00 0.00 O ATOM 819 OE2 GLU A 56 -1.181 -20.628 -10.749 1.00 0.00 O ATOM 0 H GLU A 56 3.569 -18.503 -12.783 1.00 0.00 H new ATOM 0 HA GLU A 56 0.772 -18.434 -12.462 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.856 -20.483 -12.210 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.034 -19.848 -11.078 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.773 -20.927 -9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.779 -19.485 -9.601 1.00 0.00 H new ATOM 826 N GLU A 57 2.362 -17.198 -9.791 1.00 0.00 N ATOM 827 CA GLU A 57 2.202 -16.377 -8.560 1.00 0.00 C ATOM 828 C GLU A 57 1.631 -14.983 -8.937 1.00 0.00 C ATOM 829 O GLU A 57 0.688 -14.495 -8.301 1.00 0.00 O ATOM 830 CB GLU A 57 3.538 -16.279 -7.768 1.00 0.00 C ATOM 831 CG GLU A 57 3.461 -16.270 -6.221 1.00 0.00 C ATOM 832 CD GLU A 57 4.078 -17.503 -5.553 1.00 0.00 C ATOM 833 OE1 GLU A 57 5.276 -17.779 -5.783 1.00 0.00 O ATOM 834 OE2 GLU A 57 3.369 -18.198 -4.793 1.00 0.00 O ATOM 0 H GLU A 57 3.286 -17.620 -9.885 1.00 0.00 H new ATOM 0 HA GLU A 57 1.490 -16.863 -7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.167 -17.117 -8.067 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.048 -15.369 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.966 -15.379 -5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.416 -16.193 -5.921 1.00 0.00 H new ATOM 841 N LEU A 58 2.233 -14.340 -9.956 1.00 0.00 N ATOM 842 CA LEU A 58 1.882 -12.952 -10.360 1.00 0.00 C ATOM 843 C LEU A 58 0.366 -12.882 -10.691 1.00 0.00 C ATOM 844 O LEU A 58 -0.296 -11.878 -10.400 1.00 0.00 O ATOM 845 CB LEU A 58 2.802 -12.533 -11.544 1.00 0.00 C ATOM 846 CG LEU A 58 4.271 -12.162 -11.188 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.212 -12.179 -12.411 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.330 -10.783 -10.503 1.00 0.00 C ATOM 0 H LEU A 58 2.971 -14.758 -10.522 1.00 0.00 H new ATOM 0 HA LEU A 58 2.054 -12.240 -9.553 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.822 -13.350 -12.265 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.346 -11.678 -12.043 1.00 0.00 H new ATOM 0 HG LEU A 58 4.623 -12.931 -10.501 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.221 -11.912 -12.097 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.220 -13.177 -12.850 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.860 -11.460 -13.151 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.365 -10.541 -10.262 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.927 -10.025 -11.175 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.740 -10.806 -9.587 1.00 0.00 H new ATOM 860 N ASP A 59 -0.157 -13.947 -11.326 1.00 0.00 N ATOM 861 CA ASP A 59 -1.562 -14.001 -11.810 1.00 0.00 C ATOM 862 C ASP A 59 -2.515 -13.746 -10.611 1.00 0.00 C ATOM 863 O ASP A 59 -3.573 -13.123 -10.767 1.00 0.00 O ATOM 864 CB ASP A 59 -1.866 -15.340 -12.542 1.00 0.00 C ATOM 865 CG ASP A 59 -3.266 -15.467 -13.166 1.00 0.00 C ATOM 866 OD1 ASP A 59 -3.826 -14.442 -13.612 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.811 -16.593 -13.203 1.00 0.00 O ATOM 0 H ASP A 59 0.375 -14.795 -11.521 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.723 -13.220 -12.553 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.125 -15.476 -13.330 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.731 -16.157 -11.833 1.00 0.00 H new ATOM 872 N ALA A 60 -2.140 -14.262 -9.426 1.00 0.00 N ATOM 873 CA ALA A 60 -2.955 -14.128 -8.188 1.00 0.00 C ATOM 874 C ALA A 60 -2.893 -12.666 -7.666 1.00 0.00 C ATOM 875 O ALA A 60 -3.876 -12.150 -7.123 1.00 0.00 O ATOM 876 CB ALA A 60 -2.447 -15.136 -7.139 1.00 0.00 C ATOM 0 H ALA A 60 -1.272 -14.781 -9.292 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.001 -14.352 -8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.040 -15.044 -6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.541 -16.148 -7.532 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.401 -14.930 -6.913 1.00 0.00 H new ATOM 882 N ILE A 61 -1.724 -12.022 -7.841 1.00 0.00 N ATOM 883 CA ILE A 61 -1.456 -10.661 -7.306 1.00 0.00 C ATOM 884 C ILE A 61 -2.551 -9.734 -7.904 1.00 0.00 C ATOM 885 O ILE A 61 -3.229 -9.005 -7.169 1.00 0.00 O ATOM 886 CB ILE A 61 0.024 -10.199 -7.583 1.00 0.00 C ATOM 887 CG1 ILE A 61 0.945 -10.337 -6.328 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.103 -8.753 -8.143 1.00 0.00 C ATOM 889 CD1 ILE A 61 1.621 -9.042 -5.848 1.00 0.00 C ATOM 0 H ILE A 61 -0.938 -12.422 -8.354 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.521 -10.631 -6.218 1.00 0.00 H new ATOM 0 HB ILE A 61 0.395 -10.880 -8.349 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.351 -10.740 -5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.721 -11.069 -6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.146 -8.486 -8.316 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.446 -8.696 -9.083 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.335 -8.060 -7.424 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.235 -9.255 -4.973 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.250 -8.643 -6.644 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.858 -8.309 -5.586 1.00 0.00 H new ATOM 901 N ILE A 62 -2.688 -9.754 -9.243 1.00 0.00 N ATOM 902 CA ILE A 62 -3.606 -8.852 -9.992 1.00 0.00 C ATOM 903 C ILE A 62 -5.047 -9.345 -9.684 1.00 0.00 C ATOM 904 O ILE A 62 -5.971 -8.533 -9.542 1.00 0.00 O ATOM 905 CB ILE A 62 -3.241 -8.782 -11.522 1.00 0.00 C ATOM 906 CG1 ILE A 62 -2.268 -7.607 -11.857 1.00 0.00 C ATOM 907 CG2 ILE A 62 -4.497 -8.708 -12.432 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.290 -7.856 -13.018 1.00 0.00 C ATOM 0 H ILE A 62 -2.168 -10.394 -9.844 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.513 -7.814 -9.672 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.724 -9.718 -11.734 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.862 -6.724 -12.091 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.689 -7.374 -10.963 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.188 -8.662 -13.476 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.113 -9.594 -12.275 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -5.074 -7.817 -12.184 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.664 -6.975 -13.162 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.660 -8.715 -12.785 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.852 -8.055 -13.931 1.00 0.00 H new ATOM 920 N GLU A 63 -5.216 -10.675 -9.557 1.00 0.00 N ATOM 921 CA GLU A 63 -6.534 -11.301 -9.264 1.00 0.00 C ATOM 922 C GLU A 63 -7.159 -10.574 -8.042 1.00 0.00 C ATOM 923 O GLU A 63 -8.379 -10.382 -7.978 1.00 0.00 O ATOM 924 CB GLU A 63 -6.380 -12.836 -9.061 1.00 0.00 C ATOM 925 CG GLU A 63 -7.680 -13.673 -9.111 1.00 0.00 C ATOM 926 CD GLU A 63 -7.450 -15.183 -9.221 1.00 0.00 C ATOM 927 OE1 GLU A 63 -6.339 -15.599 -9.619 1.00 0.00 O ATOM 928 OE2 GLU A 63 -8.381 -15.961 -8.914 1.00 0.00 O ATOM 0 H GLU A 63 -4.454 -11.347 -9.652 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.215 -11.187 -10.107 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.701 -13.215 -9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.902 -13.006 -8.097 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.264 -13.470 -8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.278 -13.345 -9.961 1.00 0.00 H new ATOM 935 N GLU A 64 -6.304 -10.179 -7.082 1.00 0.00 N ATOM 936 CA GLU A 64 -6.748 -9.570 -5.800 1.00 0.00 C ATOM 937 C GLU A 64 -7.473 -8.233 -6.117 1.00 0.00 C ATOM 938 O GLU A 64 -8.695 -8.126 -5.964 1.00 0.00 O ATOM 939 CB GLU A 64 -5.540 -9.410 -4.832 1.00 0.00 C ATOM 940 CG GLU A 64 -5.399 -8.042 -4.123 1.00 0.00 C ATOM 941 CD GLU A 64 -4.695 -8.110 -2.764 1.00 0.00 C ATOM 942 OE1 GLU A 64 -3.460 -8.302 -2.731 1.00 0.00 O ATOM 943 OE2 GLU A 64 -5.376 -7.976 -1.723 1.00 0.00 O ATOM 0 H GLU A 64 -5.291 -10.269 -7.165 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.457 -10.216 -5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.610 -10.184 -4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.625 -9.599 -5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.846 -7.364 -4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.391 -7.613 -3.985 1.00 0.00 H new ATOM 950 N VAL A 65 -6.699 -7.223 -6.556 1.00 0.00 N ATOM 951 CA VAL A 65 -7.212 -5.848 -6.801 1.00 0.00 C ATOM 952 C VAL A 65 -7.364 -5.675 -8.337 1.00 0.00 C ATOM 953 O VAL A 65 -6.362 -5.596 -9.062 1.00 0.00 O ATOM 954 CB VAL A 65 -6.308 -4.755 -6.127 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.788 -5.039 -6.225 1.00 0.00 C ATOM 956 CG2 VAL A 65 -6.568 -3.335 -6.683 1.00 0.00 C ATOM 0 H VAL A 65 -5.704 -7.329 -6.752 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.187 -5.710 -6.333 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.600 -4.803 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.236 -4.237 -5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.563 -5.986 -5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.495 -5.094 -7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.915 -2.622 -6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.365 -3.321 -7.754 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.608 -3.060 -6.508 1.00 0.00 H new ATOM 966 N ASP A 66 -8.618 -5.615 -8.822 1.00 0.00 N ATOM 967 CA ASP A 66 -8.920 -5.450 -10.269 1.00 0.00 C ATOM 968 C ASP A 66 -10.462 -5.460 -10.457 1.00 0.00 C ATOM 969 O ASP A 66 -11.014 -6.278 -11.205 1.00 0.00 O ATOM 970 CB ASP A 66 -8.197 -6.526 -11.131 1.00 0.00 C ATOM 971 CG ASP A 66 -7.388 -6.000 -12.329 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.705 -4.904 -12.841 1.00 0.00 O ATOM 973 OD2 ASP A 66 -6.433 -6.684 -12.760 1.00 0.00 O ATOM 0 H ASP A 66 -9.449 -5.678 -8.233 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.535 -4.493 -10.622 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.525 -7.090 -10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.944 -7.227 -11.503 1.00 0.00 H new ATOM 978 N GLU A 67 -11.151 -4.553 -9.740 1.00 0.00 N ATOM 979 CA GLU A 67 -12.631 -4.432 -9.752 1.00 0.00 C ATOM 980 C GLU A 67 -13.074 -3.501 -10.914 1.00 0.00 C ATOM 981 O GLU A 67 -14.154 -2.889 -10.841 1.00 0.00 O ATOM 982 CB GLU A 67 -13.133 -3.942 -8.358 1.00 0.00 C ATOM 983 CG GLU A 67 -12.422 -4.538 -7.121 1.00 0.00 C ATOM 984 CD GLU A 67 -13.278 -4.553 -5.851 1.00 0.00 C ATOM 985 OE1 GLU A 67 -14.188 -3.704 -5.725 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.046 -5.415 -4.974 1.00 0.00 O ATOM 0 H GLU A 67 -10.697 -3.875 -9.128 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.087 -5.406 -9.931 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.031 -2.857 -8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.197 -4.165 -8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.113 -5.558 -7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.514 -3.966 -6.927 1.00 0.00 H new ATOM 993 N ASP A 68 -12.274 -3.412 -11.991 1.00 0.00 N ATOM 994 CA ASP A 68 -12.576 -2.557 -13.172 1.00 0.00 C ATOM 995 C ASP A 68 -12.706 -3.465 -14.423 1.00 0.00 C ATOM 996 O ASP A 68 -13.569 -3.248 -15.283 1.00 0.00 O ATOM 997 CB ASP A 68 -11.515 -1.433 -13.353 1.00 0.00 C ATOM 998 CG ASP A 68 -10.209 -1.841 -14.056 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.256 -2.265 -13.366 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -10.133 -1.733 -15.300 1.00 0.00 O ATOM 0 H ASP A 68 -11.398 -3.927 -12.076 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.523 -2.040 -13.019 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.970 -0.620 -13.919 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.265 -1.036 -12.369 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.854 -4.508 -14.502 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.882 -5.483 -15.621 1.00 0.00 C ATOM 1007 C GLY A 69 -10.921 -5.033 -16.752 1.00 0.00 C ATOM 1008 O GLY A 69 -11.362 -4.513 -17.785 1.00 0.00 O ATOM 0 H GLY A 69 -11.135 -4.700 -13.804 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.592 -6.470 -15.260 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.896 -5.571 -16.010 1.00 0.00 H new ATOM 1012 N SER A 70 -9.609 -5.246 -16.538 1.00 0.00 N ATOM 1013 CA SER A 70 -8.545 -4.803 -17.478 1.00 0.00 C ATOM 1014 C SER A 70 -7.417 -5.867 -17.536 1.00 0.00 C ATOM 1015 O SER A 70 -6.959 -6.256 -18.617 1.00 0.00 O ATOM 1016 CB SER A 70 -8.022 -3.414 -17.045 1.00 0.00 C ATOM 1017 OG SER A 70 -7.904 -3.321 -15.629 1.00 0.00 O ATOM 0 H SER A 70 -9.251 -5.728 -15.713 1.00 0.00 H new ATOM 0 HA SER A 70 -8.948 -4.705 -18.486 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.051 -3.229 -17.505 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.699 -2.640 -17.407 1.00 0.00 H new ATOM 0 HG SER A 70 -7.570 -2.432 -15.386 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.950 -6.310 -16.350 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.847 -7.297 -16.241 1.00 0.00 C ATOM 1025 C GLY A 71 -4.475 -6.591 -16.402 1.00 0.00 C ATOM 1026 O GLY A 71 -3.516 -7.182 -16.915 1.00 0.00 O ATOM 0 H GLY A 71 -7.318 -6.001 -15.451 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.894 -7.800 -15.275 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.960 -8.065 -17.006 1.00 0.00 H new ATOM 1030 N THR A 72 -4.404 -5.323 -15.956 1.00 0.00 N ATOM 1031 CA THR A 72 -3.167 -4.500 -16.014 1.00 0.00 C ATOM 1032 C THR A 72 -3.264 -3.377 -14.946 1.00 0.00 C ATOM 1033 O THR A 72 -4.363 -2.907 -14.622 1.00 0.00 O ATOM 1034 CB THR A 72 -2.895 -3.948 -17.449 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.999 -3.170 -17.906 1.00 0.00 O ATOM 1036 CG2 THR A 72 -2.591 -5.016 -18.516 1.00 0.00 C ATOM 0 H THR A 72 -5.199 -4.834 -15.544 1.00 0.00 H new ATOM 0 HA THR A 72 -2.305 -5.126 -15.784 1.00 0.00 H new ATOM 0 HB THR A 72 -1.993 -3.346 -17.336 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.810 -2.831 -18.806 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.417 -4.531 -19.477 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.703 -5.577 -18.226 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.438 -5.697 -18.601 1.00 0.00 H new ATOM 1044 N ILE A 73 -2.108 -2.971 -14.385 1.00 0.00 N ATOM 1045 CA ILE A 73 -2.023 -1.912 -13.345 1.00 0.00 C ATOM 1046 C ILE A 73 -1.578 -0.615 -14.075 1.00 0.00 C ATOM 1047 O ILE A 73 -0.401 -0.233 -14.012 1.00 0.00 O ATOM 1048 CB ILE A 73 -1.099 -2.342 -12.143 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.643 -3.591 -11.379 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.840 -1.180 -11.145 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.585 -4.462 -10.680 1.00 0.00 C ATOM 0 H ILE A 73 -1.202 -3.366 -14.637 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.985 -1.735 -12.865 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.148 -2.616 -12.600 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.359 -3.252 -10.631 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.191 -4.215 -12.085 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.198 -1.531 -10.337 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.351 -0.356 -11.665 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.789 -0.837 -10.732 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.074 -5.299 -10.182 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.120 -4.841 -11.419 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.051 -3.863 -9.942 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.531 0.065 -14.739 1.00 0.00 N ATOM 1064 CA ASP A 74 -2.259 1.329 -15.476 1.00 0.00 C ATOM 1065 C ASP A 74 -1.743 2.399 -14.473 1.00 0.00 C ATOM 1066 O ASP A 74 -1.564 2.131 -13.275 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.507 1.809 -16.272 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.861 1.222 -15.837 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -5.236 0.136 -16.334 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.554 1.848 -15.006 1.00 0.00 O ATOM 0 H ASP A 74 -3.504 -0.236 -14.784 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.484 1.154 -16.222 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.565 2.895 -16.196 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.353 1.571 -17.325 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.477 3.617 -14.985 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.973 4.750 -14.161 1.00 0.00 C ATOM 1077 C PHE A 75 -2.121 5.236 -13.237 1.00 0.00 C ATOM 1078 O PHE A 75 -1.890 5.599 -12.077 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.427 5.891 -15.069 1.00 0.00 C ATOM 1080 CG PHE A 75 0.396 6.973 -14.341 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -0.250 8.023 -13.677 1.00 0.00 C ATOM 1082 CD2 PHE A 75 1.795 6.910 -14.323 1.00 0.00 C ATOM 1083 CE1 PHE A 75 0.491 8.996 -13.011 1.00 0.00 C ATOM 1084 CE2 PHE A 75 2.534 7.885 -13.657 1.00 0.00 C ATOM 1085 CZ PHE A 75 1.882 8.931 -13.009 1.00 0.00 C ATOM 0 H PHE A 75 -1.602 3.849 -15.970 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.139 4.423 -13.540 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.194 5.448 -15.848 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.269 6.372 -15.567 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.329 8.079 -13.681 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.303 6.102 -14.828 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.013 9.801 -12.496 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.612 7.830 -13.643 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.456 9.693 -12.504 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.356 5.239 -13.773 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.554 5.751 -13.056 1.00 0.00 C ATOM 1097 C GLU A 76 -4.845 4.839 -11.833 1.00 0.00 C ATOM 1098 O GLU A 76 -5.119 5.327 -10.731 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.773 5.873 -14.017 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.485 6.139 -15.516 1.00 0.00 C ATOM 1101 CD GLU A 76 -5.894 4.995 -16.449 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -6.965 4.388 -16.228 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -5.147 4.701 -17.409 1.00 0.00 O ATOM 0 H GLU A 76 -3.558 4.890 -14.710 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.360 6.758 -12.688 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.350 4.951 -13.945 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.410 6.678 -13.650 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.010 7.045 -15.820 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.419 6.331 -15.641 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.751 3.513 -12.045 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.041 2.490 -11.006 1.00 0.00 C ATOM 1112 C GLU A 77 -3.863 2.415 -9.996 1.00 0.00 C ATOM 1113 O GLU A 77 -4.056 2.017 -8.839 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.340 1.099 -11.639 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.536 -0.102 -11.088 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.267 -1.438 -11.249 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.518 -1.449 -11.232 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -4.595 -2.484 -11.389 1.00 0.00 O ATOM 0 H GLU A 77 -4.472 3.114 -12.941 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.941 2.789 -10.468 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.401 0.887 -11.508 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.158 1.167 -12.712 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.576 -0.156 -11.602 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.324 0.064 -10.032 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.651 2.789 -10.445 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.426 2.765 -9.601 1.00 0.00 C ATOM 1127 C PHE A 78 -1.598 3.775 -8.433 1.00 0.00 C ATOM 1128 O PHE A 78 -1.381 3.433 -7.264 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.162 3.065 -10.465 1.00 0.00 C ATOM 1130 CG PHE A 78 1.177 3.040 -9.700 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.589 4.146 -8.948 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.018 1.924 -9.792 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.817 4.131 -8.289 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.244 1.911 -9.132 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.643 3.014 -8.383 1.00 0.00 C ATOM 0 H PHE A 78 -2.486 3.116 -11.397 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.283 1.772 -9.174 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.113 2.336 -11.274 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.281 4.046 -10.926 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.952 5.015 -8.878 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.714 1.069 -10.378 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.128 4.985 -7.706 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.885 1.045 -9.201 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.595 3.004 -7.874 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.961 5.026 -8.772 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.059 6.139 -7.791 1.00 0.00 C ATOM 1147 C LEU A 79 -3.144 5.776 -6.741 1.00 0.00 C ATOM 1148 O LEU A 79 -2.996 6.081 -5.550 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.382 7.485 -8.510 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.311 8.058 -9.483 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.712 9.457 -9.993 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.094 8.114 -8.849 1.00 0.00 C ATOM 0 H LEU A 79 -2.195 5.300 -9.726 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.103 6.275 -7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.308 7.353 -9.070 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.577 8.236 -7.745 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.266 7.370 -10.327 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.944 9.831 -10.670 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.663 9.393 -10.522 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.813 10.137 -9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.803 8.521 -9.570 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.069 8.751 -7.965 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.404 7.109 -8.563 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.243 5.150 -7.201 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.382 4.744 -6.333 1.00 0.00 C ATOM 1166 C VAL A 80 -4.881 3.639 -5.364 1.00 0.00 C ATOM 1167 O VAL A 80 -5.318 3.572 -4.207 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.635 4.319 -7.181 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -6.553 2.884 -7.756 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.962 4.449 -6.396 1.00 0.00 C ATOM 0 H VAL A 80 -4.374 4.908 -8.183 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.728 5.589 -5.739 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.626 5.024 -8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.456 2.669 -8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.683 2.802 -8.407 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.462 2.169 -6.938 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.792 4.142 -7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.926 3.811 -5.513 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.104 5.485 -6.090 1.00 0.00 H new ATOM 1180 N MET A 81 -3.976 2.771 -5.853 1.00 0.00 N ATOM 1181 CA MET A 81 -3.409 1.645 -5.063 1.00 0.00 C ATOM 1182 C MET A 81 -2.758 2.225 -3.777 1.00 0.00 C ATOM 1183 O MET A 81 -3.134 1.855 -2.659 1.00 0.00 O ATOM 1184 CB MET A 81 -2.400 0.812 -5.905 1.00 0.00 C ATOM 1185 CG MET A 81 -2.046 -0.578 -5.346 1.00 0.00 C ATOM 1186 SD MET A 81 -3.354 -1.759 -5.745 1.00 0.00 S ATOM 1187 CE MET A 81 -2.648 -3.295 -5.114 1.00 0.00 C ATOM 0 H MET A 81 -3.613 2.824 -6.805 1.00 0.00 H new ATOM 0 HA MET A 81 -4.204 0.956 -4.780 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.810 0.686 -6.907 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.479 1.387 -6.007 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.099 -0.917 -5.766 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.914 -0.521 -4.266 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.514 -3.998 -5.936 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.683 -3.089 -4.652 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.320 -3.727 -4.373 1.00 0.00 H new ATOM 1197 N MET A 82 -1.758 3.108 -3.959 1.00 0.00 N ATOM 1198 CA MET A 82 -0.956 3.664 -2.837 1.00 0.00 C ATOM 1199 C MET A 82 -1.869 4.514 -1.912 1.00 0.00 C ATOM 1200 O MET A 82 -1.663 4.560 -0.693 1.00 0.00 O ATOM 1201 CB MET A 82 0.239 4.484 -3.401 1.00 0.00 C ATOM 1202 CG MET A 82 1.474 3.662 -3.817 1.00 0.00 C ATOM 1203 SD MET A 82 2.455 3.180 -2.378 1.00 0.00 S ATOM 1204 CE MET A 82 3.016 1.532 -2.853 1.00 0.00 C ATOM 0 H MET A 82 -1.480 3.457 -4.876 1.00 0.00 H new ATOM 0 HA MET A 82 -0.542 2.855 -2.235 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.108 5.049 -4.267 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.545 5.210 -2.648 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.155 2.771 -4.358 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.090 4.247 -4.501 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.633 1.114 -2.057 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.153 0.888 -3.019 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.602 1.597 -3.770 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.870 5.187 -2.509 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.763 6.135 -1.790 1.00 0.00 C ATOM 1216 C VAL A 83 -4.516 5.330 -0.695 1.00 0.00 C ATOM 1217 O VAL A 83 -4.766 5.844 0.403 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.712 6.909 -2.772 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.138 7.101 -2.201 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.179 8.296 -3.209 1.00 0.00 C ATOM 0 H VAL A 83 -3.088 5.094 -3.501 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.182 6.922 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.746 6.261 -3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.749 7.642 -2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.586 6.127 -2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.085 7.670 -1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.894 8.764 -3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.045 8.927 -2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.223 8.174 -3.718 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.896 4.081 -1.022 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.722 3.217 -0.136 1.00 0.00 C ATOM 1232 C ARG A 84 -5.073 3.209 1.274 1.00 0.00 C ATOM 1233 O ARG A 84 -5.728 3.537 2.272 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.830 1.779 -0.720 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.273 1.255 -0.901 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.346 0.004 -1.798 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.649 -1.220 -1.015 1.00 0.00 N ATOM 1238 CZ ARG A 84 -8.829 -1.474 -0.414 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -9.970 -1.042 -0.934 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -8.891 -2.212 0.687 1.00 0.00 N ATOM 0 H ARG A 84 -4.643 3.636 -1.905 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.737 3.609 -0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.327 1.757 -1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.291 1.095 -0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.695 1.021 0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.889 2.043 -1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.113 0.147 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.398 -0.124 -2.320 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.912 -1.919 -0.925 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.965 -0.508 -1.803 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.853 -1.244 -0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.038 -2.597 1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.792 -2.394 1.129 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.792 2.801 1.344 1.00 0.00 N ATOM 1255 CA GLN A 85 -3.062 2.633 2.629 1.00 0.00 C ATOM 1256 C GLN A 85 -2.961 4.021 3.317 1.00 0.00 C ATOM 1257 O GLN A 85 -3.032 4.123 4.547 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.669 1.988 2.377 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.569 0.462 2.618 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.956 0.070 3.973 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -0.322 -0.977 4.109 1.00 0.00 O ATOM 1262 NE2 GLN A 85 -1.132 0.888 5.000 1.00 0.00 N ATOM 0 H GLN A 85 -3.231 2.578 0.522 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.598 1.957 3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.378 2.192 1.346 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.940 2.485 3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.567 0.029 2.546 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.971 0.019 1.821 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -1.658 1.753 4.879 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -0.741 0.653 5.912 1.00 0.00 H new ATOM 1271 N MET A 86 -2.803 5.080 2.501 1.00 0.00 N ATOM 1272 CA MET A 86 -2.604 6.469 2.993 1.00 0.00 C ATOM 1273 C MET A 86 -3.741 6.786 4.002 1.00 0.00 C ATOM 1274 O MET A 86 -3.530 7.505 4.986 1.00 0.00 O ATOM 1275 CB MET A 86 -2.557 7.484 1.817 1.00 0.00 C ATOM 1276 CG MET A 86 -1.234 8.256 1.649 1.00 0.00 C ATOM 1277 SD MET A 86 -1.570 10.002 1.331 1.00 0.00 S ATOM 1278 CE MET A 86 -2.253 9.932 -0.338 1.00 0.00 C ATOM 0 H MET A 86 -2.809 5.004 1.484 1.00 0.00 H new ATOM 0 HA MET A 86 -1.642 6.558 3.497 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.763 6.948 0.891 1.00 0.00 H new ATOM 0 HB3 MET A 86 -3.362 8.206 1.953 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.627 8.152 2.548 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.659 7.833 0.826 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.458 10.943 -0.690 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.535 9.454 -1.005 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.178 9.356 -0.329 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.950 6.263 3.723 1.00 0.00 N ATOM 1289 CA LYS A 87 -6.169 6.549 4.524 1.00 0.00 C ATOM 1290 C LYS A 87 -5.853 6.269 6.019 1.00 0.00 C ATOM 1291 O LYS A 87 -5.806 7.195 6.838 1.00 0.00 O ATOM 1292 CB LYS A 87 -7.380 5.684 4.071 1.00 0.00 C ATOM 1293 CG LYS A 87 -8.179 6.233 2.866 1.00 0.00 C ATOM 1294 CD LYS A 87 -9.635 5.733 2.764 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.895 4.358 3.413 1.00 0.00 C ATOM 1296 NZ LYS A 87 -9.604 3.257 2.478 1.00 0.00 N ATOM 0 H LYS A 87 -5.115 5.631 2.939 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.444 7.593 4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.018 4.687 3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.060 5.573 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.188 7.322 2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.654 5.965 1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.290 6.469 3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.913 5.680 1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.277 4.253 4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.934 4.297 3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.789 2.347 2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.211 3.345 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.606 3.301 2.189 1.00 0.00 H new ATOM 1310 N GLU A 88 -5.642 4.984 6.357 1.00 0.00 N ATOM 1311 CA GLU A 88 -5.332 4.548 7.745 1.00 0.00 C ATOM 1312 C GLU A 88 -4.125 5.377 8.262 1.00 0.00 C ATOM 1313 O GLU A 88 -4.302 6.401 8.932 1.00 0.00 O ATOM 1314 CB GLU A 88 -5.096 3.010 7.789 1.00 0.00 C ATOM 1315 CG GLU A 88 -6.308 2.137 8.191 1.00 0.00 C ATOM 1316 CD GLU A 88 -5.930 0.780 8.795 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -5.656 0.715 10.013 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -5.903 -0.226 8.052 1.00 0.00 O ATOM 0 H GLU A 88 -5.680 4.217 5.685 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.173 4.736 8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.756 2.689 6.805 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.284 2.809 8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.915 2.686 8.911 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.930 1.970 7.311 1.00 0.00 H new ATOM 1325 N ASP A 89 -2.902 4.898 7.966 1.00 0.00 N ATOM 1326 CA ASP A 89 -1.645 5.506 8.475 1.00 0.00 C ATOM 1327 C ASP A 89 -1.678 7.032 8.192 1.00 0.00 C ATOM 1328 O ASP A 89 -1.672 7.461 7.032 1.00 0.00 O ATOM 1329 CB ASP A 89 -0.387 4.812 7.875 1.00 0.00 C ATOM 1330 CG ASP A 89 0.283 3.745 8.757 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -0.419 3.104 9.571 1.00 0.00 O ATOM 1332 OD2 ASP A 89 1.513 3.551 8.642 1.00 0.00 O ATOM 0 H ASP A 89 -2.751 4.083 7.371 1.00 0.00 H new ATOM 0 HA ASP A 89 -1.575 5.354 9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -0.669 4.348 6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.351 5.580 7.645 1.00 0.00 H new ATOM 1337 N ALA A 90 -1.690 7.838 9.271 1.00 0.00 N ATOM 1338 CA ALA A 90 -1.720 9.321 9.177 1.00 0.00 C ATOM 1339 C ALA A 90 -0.451 9.885 9.846 1.00 0.00 C ATOM 1340 O ALA A 90 -0.512 10.223 11.069 1.00 0.00 O ATOM 1341 CB ALA A 90 -3.009 9.885 9.810 1.00 0.00 C ATOM 1342 OXT ALA A 90 0.621 10.001 9.175 1.00 0.00 O ATOM 0 H ALA A 90 -1.679 7.488 10.229 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.729 9.628 8.131 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.008 10.972 9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.877 9.483 9.288 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.053 9.599 10.861 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 4.076 -3.001 -19.735 1.00 0.00 CA HETATM 1350 CA CA A 92 -6.511 -2.707 -13.324 1.00 0.00 CA