USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 545 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 20 THR OG1 : rot -160:sc= -1.9! USER MOD Set 1.2: A 23 GLN : amide:sc= -0.208 X(o=-2.1,f=-2) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.104 (180deg=-0.829) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.32) USER MOD Single : A 11 HIS : no HE2:sc= -0.209 K(o=-0.21,f=-2.1!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -36:sc= 0.394 USER MOD Single : A 18 GLN : amide:sc= 0.00671 X(o=0.0067,f=-0.11) USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= -2.33! (180deg=-3.43!) USER MOD Single : A 27 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.42) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.18 F(o=-0.97,f=-0.18) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 57 CYS SG : rot 80:sc= -0.686 USER MOD Single : A 63 THR OG1 : rot -150:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A 71 MET CE :methyl 146:sc= -0.138 (180deg=-0.571) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.370 -0.377 -0.971 1.00 0.00 N ATOM 2 CA MET A 1 1.505 0.163 -1.758 1.00 0.00 C ATOM 3 C MET A 1 2.669 -0.824 -1.654 1.00 0.00 C ATOM 4 O MET A 1 3.514 -0.748 -0.756 1.00 0.00 O ATOM 5 CB MET A 1 1.862 1.592 -1.252 1.00 0.00 C ATOM 6 CG MET A 1 2.953 2.360 -2.030 1.00 0.00 C ATOM 7 SD MET A 1 4.627 1.755 -1.716 1.00 0.00 S ATOM 8 CE MET A 1 5.630 3.047 -2.446 1.00 0.00 C ATOM 0 H1 MET A 1 -0.435 0.279 -1.027 1.00 0.00 H new ATOM 0 H2 MET A 1 0.090 -1.302 -1.355 1.00 0.00 H new ATOM 0 H3 MET A 1 0.658 -0.487 0.022 1.00 0.00 H new ATOM 0 HA MET A 1 1.248 0.268 -2.812 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.952 2.192 -1.263 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.179 1.514 -0.212 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.744 2.289 -3.097 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.902 3.416 -1.765 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.627 3.025 -2.007 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.704 2.886 -3.522 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.170 4.017 -2.255 1.00 0.00 H new ATOM 18 N GLN A 2 2.648 -1.826 -2.540 1.00 0.00 N ATOM 19 CA GLN A 2 3.652 -2.906 -2.551 1.00 0.00 C ATOM 20 C GLN A 2 4.681 -2.668 -3.659 1.00 0.00 C ATOM 21 O GLN A 2 4.318 -2.312 -4.778 1.00 0.00 O ATOM 22 CB GLN A 2 2.960 -4.281 -2.751 1.00 0.00 C ATOM 23 CG GLN A 2 3.914 -5.489 -2.670 1.00 0.00 C ATOM 24 CD GLN A 2 3.265 -6.809 -3.086 1.00 0.00 C ATOM 25 OE1 GLN A 2 3.281 -7.180 -4.261 1.00 0.00 O ATOM 26 NE2 GLN A 2 2.694 -7.530 -2.132 1.00 0.00 N ATOM 0 H GLN A 2 1.939 -1.915 -3.268 1.00 0.00 H new ATOM 0 HA GLN A 2 4.168 -2.908 -1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.182 -4.396 -1.996 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.466 -4.288 -3.722 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.779 -5.302 -3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.284 -5.581 -1.649 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.698 -7.195 -1.168 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.251 -8.420 -2.361 1.00 0.00 H new ATOM 35 N LEU A 3 5.963 -2.901 -3.344 1.00 0.00 N ATOM 36 CA LEU A 3 7.056 -2.812 -4.315 1.00 0.00 C ATOM 37 C LEU A 3 8.034 -3.987 -4.127 1.00 0.00 C ATOM 38 O LEU A 3 8.066 -4.637 -3.074 1.00 0.00 O ATOM 39 CB LEU A 3 7.745 -1.412 -4.221 1.00 0.00 C ATOM 40 CG LEU A 3 8.334 -0.973 -2.827 1.00 0.00 C ATOM 41 CD1 LEU A 3 9.698 -1.628 -2.521 1.00 0.00 C ATOM 42 CD2 LEU A 3 8.445 0.558 -2.732 1.00 0.00 C ATOM 0 H LEU A 3 6.269 -3.157 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 3 6.661 -2.898 -5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.556 -1.389 -4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.018 -0.660 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 3 7.631 -1.326 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.055 -1.289 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.586 -2.712 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.418 -1.346 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.854 0.834 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.103 0.925 -3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.457 1.002 -2.849 1.00 0.00 H new ATOM 54 N PHE A 4 8.832 -4.249 -5.163 1.00 0.00 N ATOM 55 CA PHE A 4 9.799 -5.361 -5.190 1.00 0.00 C ATOM 56 C PHE A 4 11.211 -4.774 -5.058 1.00 0.00 C ATOM 57 O PHE A 4 11.515 -3.755 -5.675 1.00 0.00 O ATOM 58 CB PHE A 4 9.648 -6.173 -6.515 1.00 0.00 C ATOM 59 CG PHE A 4 8.193 -6.515 -6.891 1.00 0.00 C ATOM 60 CD1 PHE A 4 7.383 -5.578 -7.550 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.636 -7.757 -6.587 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.075 -5.875 -7.890 1.00 0.00 C ATOM 63 CE2 PHE A 4 6.324 -8.052 -6.930 1.00 0.00 C ATOM 64 CZ PHE A 4 5.545 -7.115 -7.580 1.00 0.00 C ATOM 0 H PHE A 4 8.830 -3.693 -6.018 1.00 0.00 H new ATOM 0 HA PHE A 4 9.613 -6.046 -4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.096 -5.603 -7.329 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.214 -7.100 -6.425 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.788 -4.607 -7.796 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.233 -8.499 -6.078 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.468 -5.139 -8.397 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.910 -9.020 -6.687 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.525 -7.349 -7.846 1.00 0.00 H new ATOM 74 N VAL A 5 12.047 -5.385 -4.215 1.00 0.00 N ATOM 75 CA VAL A 5 13.429 -4.940 -3.974 1.00 0.00 C ATOM 76 C VAL A 5 14.400 -6.036 -4.450 1.00 0.00 C ATOM 77 O VAL A 5 14.519 -7.096 -3.814 1.00 0.00 O ATOM 78 CB VAL A 5 13.671 -4.610 -2.450 1.00 0.00 C ATOM 79 CG1 VAL A 5 15.071 -4.017 -2.217 1.00 0.00 C ATOM 80 CG2 VAL A 5 12.581 -3.664 -1.897 1.00 0.00 C ATOM 0 H VAL A 5 11.785 -6.209 -3.674 1.00 0.00 H new ATOM 0 HA VAL A 5 13.606 -4.023 -4.536 1.00 0.00 H new ATOM 0 HB VAL A 5 13.609 -5.552 -1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.203 -3.802 -1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.827 -4.733 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.176 -3.096 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 5 12.778 -3.457 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.591 -2.730 -2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.604 -4.137 -1.997 1.00 0.00 H new ATOM 90 N ARG A 6 15.042 -5.780 -5.598 1.00 0.00 N ATOM 91 CA ARG A 6 16.014 -6.685 -6.206 1.00 0.00 C ATOM 92 C ARG A 6 17.336 -6.698 -5.403 1.00 0.00 C ATOM 93 O ARG A 6 18.170 -5.800 -5.522 1.00 0.00 O ATOM 94 CB ARG A 6 16.252 -6.301 -7.701 1.00 0.00 C ATOM 95 CG ARG A 6 17.356 -7.120 -8.417 1.00 0.00 C ATOM 96 CD ARG A 6 17.075 -8.638 -8.444 1.00 0.00 C ATOM 97 NE ARG A 6 18.274 -9.403 -8.835 1.00 0.00 N ATOM 98 CZ ARG A 6 18.383 -10.217 -9.895 1.00 0.00 C ATOM 99 NH1 ARG A 6 17.382 -10.373 -10.750 1.00 0.00 N ATOM 100 NH2 ARG A 6 19.509 -10.891 -10.087 1.00 0.00 N ATOM 0 H ARG A 6 14.895 -4.925 -6.134 1.00 0.00 H new ATOM 0 HA ARG A 6 15.611 -7.697 -6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.316 -6.425 -8.246 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.513 -5.244 -7.752 1.00 0.00 H new ATOM 0 HG2 ARG A 6 17.459 -6.759 -9.440 1.00 0.00 H new ATOM 0 HG3 ARG A 6 18.309 -6.944 -7.919 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.739 -8.964 -7.460 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.265 -8.847 -9.143 1.00 0.00 H new ATOM 0 HE ARG A 6 19.099 -9.303 -8.243 1.00 0.00 H new ATOM 0 HH11 ARG A 6 16.507 -9.869 -10.608 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.487 -10.997 -11.550 1.00 0.00 H new ATOM 0 HH21 ARG A 6 20.283 -10.788 -9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.601 -11.512 -10.891 1.00 0.00 H new ATOM 114 N ALA A 7 17.469 -7.716 -4.563 1.00 0.00 N ATOM 115 CA ALA A 7 18.725 -8.096 -3.904 1.00 0.00 C ATOM 116 C ALA A 7 19.156 -9.466 -4.454 1.00 0.00 C ATOM 117 O ALA A 7 18.530 -9.972 -5.399 1.00 0.00 O ATOM 118 CB ALA A 7 18.546 -8.126 -2.379 1.00 0.00 C ATOM 0 H ALA A 7 16.688 -8.321 -4.310 1.00 0.00 H new ATOM 0 HA ALA A 7 19.504 -7.363 -4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.487 -8.410 -1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.248 -7.138 -2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 7 17.776 -8.852 -2.117 1.00 0.00 H new ATOM 124 N GLN A 8 20.270 -10.018 -3.919 1.00 0.00 N ATOM 125 CA GLN A 8 20.680 -11.436 -4.161 1.00 0.00 C ATOM 126 C GLN A 8 19.485 -12.422 -4.029 1.00 0.00 C ATOM 127 O GLN A 8 19.433 -13.466 -4.688 1.00 0.00 O ATOM 128 CB GLN A 8 21.808 -11.844 -3.180 1.00 0.00 C ATOM 129 CG GLN A 8 21.459 -11.654 -1.690 1.00 0.00 C ATOM 130 CD GLN A 8 22.540 -12.182 -0.749 1.00 0.00 C ATOM 131 OE1 GLN A 8 23.468 -11.460 -0.376 1.00 0.00 O ATOM 132 NE2 GLN A 8 22.409 -13.440 -0.341 1.00 0.00 N ATOM 0 H GLN A 8 20.910 -9.505 -3.312 1.00 0.00 H new ATOM 0 HA GLN A 8 21.047 -11.495 -5.186 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.060 -12.891 -3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.700 -11.260 -3.409 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.300 -10.594 -1.493 1.00 0.00 H new ATOM 0 HG3 GLN A 8 20.519 -12.163 -1.476 1.00 0.00 H new ATOM 0 HE21 GLN A 8 21.627 -14.005 -0.673 1.00 0.00 H new ATOM 0 HE22 GLN A 8 23.090 -13.841 0.304 1.00 0.00 H new ATOM 141 N GLU A 9 18.542 -12.065 -3.144 1.00 0.00 N ATOM 142 CA GLU A 9 17.219 -12.693 -3.034 1.00 0.00 C ATOM 143 C GLU A 9 16.162 -11.635 -3.398 1.00 0.00 C ATOM 144 O GLU A 9 16.236 -10.498 -2.900 1.00 0.00 O ATOM 145 CB GLU A 9 16.994 -13.206 -1.595 1.00 0.00 C ATOM 146 CG GLU A 9 18.057 -14.209 -1.124 1.00 0.00 C ATOM 147 CD GLU A 9 17.812 -14.710 0.299 1.00 0.00 C ATOM 148 OE1 GLU A 9 16.856 -15.495 0.505 1.00 0.00 O ATOM 149 OE2 GLU A 9 18.564 -14.325 1.219 1.00 0.00 O ATOM 0 H GLU A 9 18.683 -11.313 -2.469 1.00 0.00 H new ATOM 0 HA GLU A 9 17.145 -13.545 -3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.982 -12.356 -0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.012 -13.676 -1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.074 -15.060 -1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 9 19.040 -13.740 -1.175 1.00 0.00 H new ATOM 156 N LEU A 10 15.202 -11.991 -4.277 1.00 0.00 N ATOM 157 CA LEU A 10 14.131 -11.070 -4.697 1.00 0.00 C ATOM 158 C LEU A 10 13.177 -10.858 -3.508 1.00 0.00 C ATOM 159 O LEU A 10 12.407 -11.754 -3.146 1.00 0.00 O ATOM 160 CB LEU A 10 13.384 -11.618 -5.965 1.00 0.00 C ATOM 161 CG LEU A 10 12.378 -10.648 -6.716 1.00 0.00 C ATOM 162 CD1 LEU A 10 11.004 -10.522 -6.009 1.00 0.00 C ATOM 163 CD2 LEU A 10 13.017 -9.257 -6.937 1.00 0.00 C ATOM 0 H LEU A 10 15.149 -12.913 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 10 14.555 -10.108 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.138 -11.938 -6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.830 -12.508 -5.667 1.00 0.00 H new ATOM 0 HG LEU A 10 12.179 -11.103 -7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.365 -9.844 -6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.533 -11.503 -5.952 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.147 -10.130 -5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.309 -8.609 -7.454 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.275 -8.818 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 10 13.919 -9.363 -7.540 1.00 0.00 H new ATOM 175 N HIS A 11 13.275 -9.678 -2.887 1.00 0.00 N ATOM 176 CA HIS A 11 12.406 -9.288 -1.770 1.00 0.00 C ATOM 177 C HIS A 11 11.199 -8.516 -2.300 1.00 0.00 C ATOM 178 O HIS A 11 11.220 -8.005 -3.421 1.00 0.00 O ATOM 179 CB HIS A 11 13.191 -8.439 -0.743 1.00 0.00 C ATOM 180 CG HIS A 11 14.368 -9.162 -0.155 1.00 0.00 C ATOM 181 ND1 HIS A 11 14.261 -10.388 0.462 1.00 0.00 N ATOM 182 CD2 HIS A 11 15.684 -8.845 -0.122 1.00 0.00 C ATOM 183 CE1 HIS A 11 15.453 -10.791 0.840 1.00 0.00 C ATOM 184 NE2 HIS A 11 16.327 -9.874 0.499 1.00 0.00 N ATOM 0 H HIS A 11 13.959 -8.966 -3.144 1.00 0.00 H new ATOM 0 HA HIS A 11 12.053 -10.187 -1.264 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.538 -7.526 -1.226 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.518 -8.139 0.061 1.00 0.00 H new ATOM 0 HD1 HIS A 11 13.392 -10.903 0.604 1.00 0.00 H new ATOM 0 HD2 HIS A 11 16.138 -7.947 -0.514 1.00 0.00 H new ATOM 0 HE1 HIS A 11 15.675 -11.719 1.345 1.00 0.00 H new ATOM 193 N THR A 12 10.143 -8.449 -1.487 1.00 0.00 N ATOM 194 CA THR A 12 8.906 -7.730 -1.807 1.00 0.00 C ATOM 195 C THR A 12 8.301 -7.210 -0.496 1.00 0.00 C ATOM 196 O THR A 12 8.031 -8.000 0.418 1.00 0.00 O ATOM 197 CB THR A 12 7.890 -8.659 -2.559 1.00 0.00 C ATOM 198 OG1 THR A 12 8.506 -9.201 -3.740 1.00 0.00 O ATOM 199 CG2 THR A 12 6.616 -7.912 -2.970 1.00 0.00 C ATOM 0 H THR A 12 10.122 -8.900 -0.572 1.00 0.00 H new ATOM 0 HA THR A 12 9.128 -6.896 -2.472 1.00 0.00 H new ATOM 0 HB THR A 12 7.612 -9.455 -1.868 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.868 -9.781 -4.205 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.944 -8.597 -3.487 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.121 -7.520 -2.081 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.876 -7.088 -3.634 1.00 0.00 H new ATOM 207 N PHE A 13 8.114 -5.880 -0.398 1.00 0.00 N ATOM 208 CA PHE A 13 7.613 -5.218 0.822 1.00 0.00 C ATOM 209 C PHE A 13 6.418 -4.330 0.472 1.00 0.00 C ATOM 210 O PHE A 13 6.485 -3.532 -0.471 1.00 0.00 O ATOM 211 CB PHE A 13 8.720 -4.350 1.489 1.00 0.00 C ATOM 212 CG PHE A 13 9.994 -5.109 1.875 1.00 0.00 C ATOM 213 CD1 PHE A 13 9.982 -6.060 2.898 1.00 0.00 C ATOM 214 CD2 PHE A 13 11.196 -4.880 1.207 1.00 0.00 C ATOM 215 CE1 PHE A 13 11.135 -6.746 3.241 1.00 0.00 C ATOM 216 CE2 PHE A 13 12.346 -5.566 1.551 1.00 0.00 C ATOM 217 CZ PHE A 13 12.314 -6.501 2.567 1.00 0.00 C ATOM 0 H PHE A 13 8.306 -5.234 -1.163 1.00 0.00 H new ATOM 0 HA PHE A 13 7.311 -5.993 1.527 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.988 -3.543 0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.306 -3.886 2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.063 -6.263 3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.229 -4.155 0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 13 11.111 -7.475 4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 13 13.269 -5.371 1.025 1.00 0.00 H new ATOM 0 HZ PHE A 13 13.211 -7.040 2.834 1.00 0.00 H new ATOM 227 N GLU A 14 5.308 -4.477 1.213 1.00 0.00 N ATOM 228 CA GLU A 14 4.190 -3.532 1.144 1.00 0.00 C ATOM 229 C GLU A 14 4.374 -2.489 2.253 1.00 0.00 C ATOM 230 O GLU A 14 4.278 -2.805 3.440 1.00 0.00 O ATOM 231 CB GLU A 14 2.823 -4.246 1.251 1.00 0.00 C ATOM 232 CG GLU A 14 1.616 -3.286 1.134 1.00 0.00 C ATOM 233 CD GLU A 14 0.279 -4.004 0.925 1.00 0.00 C ATOM 234 OE1 GLU A 14 -0.250 -4.590 1.891 1.00 0.00 O ATOM 235 OE2 GLU A 14 -0.248 -3.991 -0.210 1.00 0.00 O ATOM 0 H GLU A 14 5.164 -5.245 1.868 1.00 0.00 H new ATOM 0 HA GLU A 14 4.192 -3.038 0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.754 -5.001 0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.769 -4.770 2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.556 -2.680 2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.786 -2.602 0.302 1.00 0.00 H new ATOM 242 N VAL A 15 4.684 -1.260 1.840 1.00 0.00 N ATOM 243 CA VAL A 15 4.968 -0.126 2.725 1.00 0.00 C ATOM 244 C VAL A 15 3.908 0.961 2.504 1.00 0.00 C ATOM 245 O VAL A 15 3.178 0.923 1.521 1.00 0.00 O ATOM 246 CB VAL A 15 6.424 0.440 2.461 1.00 0.00 C ATOM 247 CG1 VAL A 15 7.507 -0.623 2.769 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.582 0.987 1.014 1.00 0.00 C ATOM 0 H VAL A 15 4.747 -1.017 0.851 1.00 0.00 H new ATOM 0 HA VAL A 15 4.929 -0.458 3.763 1.00 0.00 H new ATOM 0 HB VAL A 15 6.567 1.277 3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.494 -0.203 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.436 -0.922 3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.354 -1.494 2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.595 1.365 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.394 0.186 0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.868 1.794 0.850 1.00 0.00 H new ATOM 258 N THR A 16 3.812 1.916 3.430 1.00 0.00 N ATOM 259 CA THR A 16 2.911 3.082 3.285 1.00 0.00 C ATOM 260 C THR A 16 3.677 4.293 2.687 1.00 0.00 C ATOM 261 O THR A 16 3.126 5.390 2.570 1.00 0.00 O ATOM 262 CB THR A 16 2.239 3.441 4.661 1.00 0.00 C ATOM 263 OG1 THR A 16 1.233 4.463 4.498 1.00 0.00 O ATOM 264 CG2 THR A 16 3.262 3.905 5.711 1.00 0.00 C ATOM 0 H THR A 16 4.348 1.913 4.298 1.00 0.00 H new ATOM 0 HA THR A 16 2.113 2.821 2.590 1.00 0.00 H new ATOM 0 HB THR A 16 1.774 2.522 5.019 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.524 5.102 3.814 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.746 4.140 6.642 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.987 3.111 5.888 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.779 4.793 5.348 1.00 0.00 H new ATOM 272 N GLY A 17 4.953 4.068 2.283 1.00 0.00 N ATOM 273 CA GLY A 17 5.801 5.110 1.703 1.00 0.00 C ATOM 274 C GLY A 17 6.702 5.804 2.721 1.00 0.00 C ATOM 275 O GLY A 17 7.722 6.382 2.332 1.00 0.00 O ATOM 0 H GLY A 17 5.410 3.159 2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.421 4.669 0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.168 5.856 1.223 1.00 0.00 H new ATOM 279 N GLN A 18 6.341 5.717 4.026 1.00 0.00 N ATOM 280 CA GLN A 18 6.978 6.521 5.098 1.00 0.00 C ATOM 281 C GLN A 18 8.443 6.128 5.344 1.00 0.00 C ATOM 282 O GLN A 18 9.224 6.946 5.840 1.00 0.00 O ATOM 283 CB GLN A 18 6.194 6.417 6.439 1.00 0.00 C ATOM 284 CG GLN A 18 6.374 5.078 7.197 1.00 0.00 C ATOM 285 CD GLN A 18 5.758 5.037 8.594 1.00 0.00 C ATOM 286 OE1 GLN A 18 4.751 5.684 8.868 1.00 0.00 O ATOM 287 NE2 GLN A 18 6.372 4.280 9.493 1.00 0.00 N ATOM 0 H GLN A 18 5.607 5.093 4.362 1.00 0.00 H new ATOM 0 HA GLN A 18 6.954 7.551 4.742 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.508 7.232 7.091 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.133 6.563 6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.936 4.278 6.600 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.440 4.866 7.280 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.207 3.755 9.233 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.009 4.223 10.445 1.00 0.00 H new ATOM 296 N GLU A 19 8.793 4.857 5.037 1.00 0.00 N ATOM 297 CA GLU A 19 10.175 4.370 5.184 1.00 0.00 C ATOM 298 C GLU A 19 11.082 5.153 4.249 1.00 0.00 C ATOM 299 O GLU A 19 10.678 5.495 3.136 1.00 0.00 O ATOM 300 CB GLU A 19 10.324 2.850 4.856 1.00 0.00 C ATOM 301 CG GLU A 19 9.459 1.883 5.679 1.00 0.00 C ATOM 302 CD GLU A 19 9.592 2.039 7.205 1.00 0.00 C ATOM 303 OE1 GLU A 19 8.841 2.837 7.810 1.00 0.00 O ATOM 304 OE2 GLU A 19 10.434 1.349 7.807 1.00 0.00 O ATOM 0 H GLU A 19 8.138 4.157 4.688 1.00 0.00 H new ATOM 0 HA GLU A 19 10.453 4.514 6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.090 2.704 3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.369 2.573 4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.414 2.027 5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.723 0.861 5.408 1.00 0.00 H new ATOM 311 N THR A 20 12.285 5.460 4.705 1.00 0.00 N ATOM 312 CA THR A 20 13.306 6.019 3.837 1.00 0.00 C ATOM 313 C THR A 20 13.957 4.880 3.040 1.00 0.00 C ATOM 314 O THR A 20 13.782 3.689 3.367 1.00 0.00 O ATOM 315 CB THR A 20 14.374 6.826 4.645 1.00 0.00 C ATOM 316 OG1 THR A 20 15.126 5.954 5.495 1.00 0.00 O ATOM 317 CG2 THR A 20 13.717 7.940 5.490 1.00 0.00 C ATOM 0 H THR A 20 12.578 5.331 5.673 1.00 0.00 H new ATOM 0 HA THR A 20 12.839 6.724 3.149 1.00 0.00 H new ATOM 0 HB THR A 20 15.046 7.292 3.925 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.552 6.477 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.487 8.482 6.039 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.186 8.630 4.834 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.014 7.496 6.194 1.00 0.00 H new ATOM 325 N VAL A 21 14.684 5.250 1.989 1.00 0.00 N ATOM 326 CA VAL A 21 15.511 4.317 1.205 1.00 0.00 C ATOM 327 C VAL A 21 16.538 3.607 2.132 1.00 0.00 C ATOM 328 O VAL A 21 16.863 2.420 1.945 1.00 0.00 O ATOM 329 CB VAL A 21 16.221 5.115 0.052 1.00 0.00 C ATOM 330 CG1 VAL A 21 17.307 4.289 -0.659 1.00 0.00 C ATOM 331 CG2 VAL A 21 15.178 5.663 -0.958 1.00 0.00 C ATOM 0 H VAL A 21 14.721 6.211 1.649 1.00 0.00 H new ATOM 0 HA VAL A 21 14.888 3.542 0.758 1.00 0.00 H new ATOM 0 HB VAL A 21 16.731 5.959 0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.764 4.889 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.070 3.994 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.858 3.398 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.690 6.212 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.623 4.833 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.487 6.330 -0.442 1.00 0.00 H new ATOM 341 N ALA A 22 16.956 4.341 3.179 1.00 0.00 N ATOM 342 CA ALA A 22 17.873 3.862 4.213 1.00 0.00 C ATOM 343 C ALA A 22 17.214 2.782 5.098 1.00 0.00 C ATOM 344 O ALA A 22 17.867 1.807 5.468 1.00 0.00 O ATOM 345 CB ALA A 22 18.367 5.039 5.064 1.00 0.00 C ATOM 0 H ALA A 22 16.655 5.304 3.327 1.00 0.00 H new ATOM 0 HA ALA A 22 18.729 3.400 3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 22 19.049 4.672 5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.887 5.755 4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 22 17.516 5.527 5.539 1.00 0.00 H new ATOM 351 N GLN A 23 15.910 2.943 5.405 1.00 0.00 N ATOM 352 CA GLN A 23 15.159 1.956 6.219 1.00 0.00 C ATOM 353 C GLN A 23 14.896 0.680 5.402 1.00 0.00 C ATOM 354 O GLN A 23 14.961 -0.428 5.941 1.00 0.00 O ATOM 355 CB GLN A 23 13.837 2.561 6.770 1.00 0.00 C ATOM 356 CG GLN A 23 14.077 3.841 7.604 1.00 0.00 C ATOM 357 CD GLN A 23 12.818 4.518 8.145 1.00 0.00 C ATOM 358 OE1 GLN A 23 12.747 5.745 8.222 1.00 0.00 O ATOM 359 NE2 GLN A 23 11.843 3.740 8.582 1.00 0.00 N ATOM 0 H GLN A 23 15.354 3.743 5.104 1.00 0.00 H new ATOM 0 HA GLN A 23 15.771 1.689 7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.172 2.792 5.938 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.330 1.819 7.387 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.724 3.590 8.445 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.619 4.559 6.988 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.927 2.726 8.506 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.007 4.153 8.995 1.00 0.00 H new ATOM 368 N ILE A 24 14.667 0.845 4.086 1.00 0.00 N ATOM 369 CA ILE A 24 14.458 -0.288 3.152 1.00 0.00 C ATOM 370 C ILE A 24 15.732 -1.161 3.043 1.00 0.00 C ATOM 371 O ILE A 24 15.646 -2.394 3.157 1.00 0.00 O ATOM 372 CB ILE A 24 13.994 0.205 1.720 1.00 0.00 C ATOM 373 CG1 ILE A 24 12.620 0.953 1.811 1.00 0.00 C ATOM 374 CG2 ILE A 24 13.911 -0.966 0.688 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.451 0.087 2.283 1.00 0.00 C ATOM 0 H ILE A 24 14.621 1.760 3.638 1.00 0.00 H new ATOM 0 HA ILE A 24 13.656 -0.900 3.564 1.00 0.00 H new ATOM 0 HB ILE A 24 14.753 0.900 1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.726 1.798 2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.379 1.362 0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 24 13.589 -0.577 -0.278 1.00 0.00 H new ATOM 0 HG22 ILE A 24 14.892 -1.429 0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 24 13.194 -1.709 1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.542 0.688 2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.312 -0.744 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.665 -0.301 3.279 1.00 0.00 H new ATOM 387 N LYS A 25 16.915 -0.522 2.854 1.00 0.00 N ATOM 388 CA LYS A 25 18.197 -1.259 2.762 1.00 0.00 C ATOM 389 C LYS A 25 18.542 -1.905 4.115 1.00 0.00 C ATOM 390 O LYS A 25 19.133 -2.976 4.139 1.00 0.00 O ATOM 391 CB LYS A 25 19.362 -0.351 2.279 1.00 0.00 C ATOM 392 CG LYS A 25 19.761 0.766 3.256 1.00 0.00 C ATOM 393 CD LYS A 25 20.906 1.635 2.723 1.00 0.00 C ATOM 394 CE LYS A 25 21.380 2.703 3.719 1.00 0.00 C ATOM 395 NZ LYS A 25 22.618 3.378 3.262 1.00 0.00 N ATOM 0 H LYS A 25 17.005 0.490 2.764 1.00 0.00 H new ATOM 0 HA LYS A 25 18.068 -2.043 2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 25 20.235 -0.976 2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.080 0.102 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 25 18.894 1.396 3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 25 20.058 0.323 4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.748 0.993 2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 25 20.583 2.124 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.593 3.444 3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.557 2.240 4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 23.244 3.544 4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 23.105 2.777 2.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.375 4.288 2.822 1.00 0.00 H new ATOM 409 N ALA A 26 18.145 -1.238 5.227 1.00 0.00 N ATOM 410 CA ALA A 26 18.326 -1.753 6.594 1.00 0.00 C ATOM 411 C ALA A 26 17.597 -3.092 6.792 1.00 0.00 C ATOM 412 O ALA A 26 18.176 -4.041 7.321 1.00 0.00 O ATOM 413 CB ALA A 26 17.841 -0.719 7.622 1.00 0.00 C ATOM 0 H ALA A 26 17.690 -0.326 5.194 1.00 0.00 H new ATOM 0 HA ALA A 26 19.391 -1.930 6.747 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.981 -1.113 8.628 1.00 0.00 H new ATOM 0 HB2 ALA A 26 18.414 0.202 7.510 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.784 -0.511 7.458 1.00 0.00 H new ATOM 419 N HIS A 27 16.334 -3.162 6.318 1.00 0.00 N ATOM 420 CA HIS A 27 15.515 -4.390 6.395 1.00 0.00 C ATOM 421 C HIS A 27 16.127 -5.511 5.542 1.00 0.00 C ATOM 422 O HIS A 27 16.250 -6.643 6.006 1.00 0.00 O ATOM 423 CB HIS A 27 14.053 -4.115 5.955 1.00 0.00 C ATOM 424 CG HIS A 27 13.349 -3.110 6.821 1.00 0.00 C ATOM 425 ND1 HIS A 27 12.610 -2.068 6.318 1.00 0.00 N ATOM 426 CD2 HIS A 27 13.255 -3.014 8.171 1.00 0.00 C ATOM 427 CE1 HIS A 27 12.095 -1.377 7.313 1.00 0.00 C ATOM 428 NE2 HIS A 27 12.470 -1.931 8.446 1.00 0.00 N ATOM 0 H HIS A 27 15.858 -2.376 5.875 1.00 0.00 H new ATOM 0 HA HIS A 27 15.503 -4.715 7.435 1.00 0.00 H new ATOM 0 HB2 HIS A 27 14.052 -3.760 4.925 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.495 -5.051 5.970 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.715 -3.672 8.894 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.469 -0.502 7.216 1.00 0.00 H new ATOM 0 HE2 HIS A 27 12.216 -1.605 9.378 1.00 0.00 H new ATOM 437 N VAL A 28 16.545 -5.166 4.311 1.00 0.00 N ATOM 438 CA VAL A 28 17.174 -6.126 3.369 1.00 0.00 C ATOM 439 C VAL A 28 18.497 -6.689 3.949 1.00 0.00 C ATOM 440 O VAL A 28 18.762 -7.896 3.883 1.00 0.00 O ATOM 441 CB VAL A 28 17.432 -5.443 1.970 1.00 0.00 C ATOM 442 CG1 VAL A 28 18.253 -6.345 1.020 1.00 0.00 C ATOM 443 CG2 VAL A 28 16.093 -5.033 1.312 1.00 0.00 C ATOM 0 H VAL A 28 16.460 -4.221 3.937 1.00 0.00 H new ATOM 0 HA VAL A 28 16.485 -6.958 3.227 1.00 0.00 H new ATOM 0 HB VAL A 28 18.026 -4.547 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 28 18.404 -5.831 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 28 19.220 -6.564 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 28 17.714 -7.276 0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.290 -4.564 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.474 -5.918 1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.571 -4.328 1.959 1.00 0.00 H new ATOM 453 N ALA A 29 19.291 -5.791 4.554 1.00 0.00 N ATOM 454 CA ALA A 29 20.595 -6.123 5.149 1.00 0.00 C ATOM 455 C ALA A 29 20.430 -6.907 6.458 1.00 0.00 C ATOM 456 O ALA A 29 21.329 -7.630 6.849 1.00 0.00 O ATOM 457 CB ALA A 29 21.412 -4.850 5.374 1.00 0.00 C ATOM 0 H ALA A 29 19.043 -4.806 4.645 1.00 0.00 H new ATOM 0 HA ALA A 29 21.133 -6.764 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 29 22.375 -5.109 5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 29 21.573 -4.348 4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 29 20.872 -4.185 6.048 1.00 0.00 H new ATOM 463 N SER A 30 19.291 -6.726 7.144 1.00 0.00 N ATOM 464 CA SER A 30 18.924 -7.537 8.315 1.00 0.00 C ATOM 465 C SER A 30 18.574 -8.978 7.880 1.00 0.00 C ATOM 466 O SER A 30 19.000 -9.941 8.527 1.00 0.00 O ATOM 467 CB SER A 30 17.740 -6.879 9.057 1.00 0.00 C ATOM 468 OG SER A 30 17.414 -7.574 10.253 1.00 0.00 O ATOM 0 H SER A 30 18.600 -6.015 6.903 1.00 0.00 H new ATOM 0 HA SER A 30 19.773 -7.588 8.997 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.989 -5.845 9.294 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.869 -6.855 8.402 1.00 0.00 H new ATOM 0 HG SER A 30 16.662 -7.128 10.696 1.00 0.00 H new ATOM 474 N LEU A 31 17.824 -9.095 6.764 1.00 0.00 N ATOM 475 CA LEU A 31 17.406 -10.398 6.197 1.00 0.00 C ATOM 476 C LEU A 31 18.621 -11.244 5.759 1.00 0.00 C ATOM 477 O LEU A 31 18.648 -12.455 5.996 1.00 0.00 O ATOM 478 CB LEU A 31 16.433 -10.198 5.002 1.00 0.00 C ATOM 479 CG LEU A 31 15.078 -9.494 5.328 1.00 0.00 C ATOM 480 CD1 LEU A 31 14.245 -9.264 4.050 1.00 0.00 C ATOM 481 CD2 LEU A 31 14.264 -10.276 6.391 1.00 0.00 C ATOM 0 H LEU A 31 17.491 -8.292 6.231 1.00 0.00 H new ATOM 0 HA LEU A 31 16.884 -10.940 6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.946 -9.616 4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.216 -11.175 4.569 1.00 0.00 H new ATOM 0 HG LEU A 31 15.316 -8.519 5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.308 -8.772 4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.805 -8.634 3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.033 -10.223 3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.328 -9.753 6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.048 -11.278 6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.842 -10.347 7.312 1.00 0.00 H new ATOM 493 N GLU A 32 19.605 -10.597 5.106 1.00 0.00 N ATOM 494 CA GLU A 32 20.867 -11.256 4.681 1.00 0.00 C ATOM 495 C GLU A 32 21.914 -11.300 5.818 1.00 0.00 C ATOM 496 O GLU A 32 22.811 -12.148 5.794 1.00 0.00 O ATOM 497 CB GLU A 32 21.464 -10.568 3.410 1.00 0.00 C ATOM 498 CG GLU A 32 20.848 -11.024 2.064 1.00 0.00 C ATOM 499 CD GLU A 32 19.429 -10.490 1.785 1.00 0.00 C ATOM 500 OE1 GLU A 32 18.444 -11.064 2.296 1.00 0.00 O ATOM 501 OE2 GLU A 32 19.292 -9.503 1.029 1.00 0.00 O ATOM 0 H GLU A 32 19.554 -9.609 4.857 1.00 0.00 H new ATOM 0 HA GLU A 32 20.615 -12.286 4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 32 21.333 -9.490 3.505 1.00 0.00 H new ATOM 0 HB3 GLU A 32 22.537 -10.758 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 32 21.505 -10.707 1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.821 -12.113 2.044 1.00 0.00 H new ATOM 508 N GLY A 33 21.798 -10.385 6.796 1.00 0.00 N ATOM 509 CA GLY A 33 22.759 -10.290 7.908 1.00 0.00 C ATOM 510 C GLY A 33 24.049 -9.557 7.521 1.00 0.00 C ATOM 511 O GLY A 33 25.119 -9.844 8.063 1.00 0.00 O ATOM 0 H GLY A 33 21.045 -9.698 6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 33 22.289 -9.772 8.744 1.00 0.00 H new ATOM 0 HA3 GLY A 33 23.007 -11.293 8.254 1.00 0.00 H new ATOM 515 N ILE A 34 23.932 -8.614 6.565 1.00 0.00 N ATOM 516 CA ILE A 34 25.056 -7.805 6.031 1.00 0.00 C ATOM 517 C ILE A 34 24.920 -6.314 6.442 1.00 0.00 C ATOM 518 O ILE A 34 23.981 -5.952 7.164 1.00 0.00 O ATOM 519 CB ILE A 34 25.159 -7.970 4.462 1.00 0.00 C ATOM 520 CG1 ILE A 34 23.818 -7.569 3.754 1.00 0.00 C ATOM 521 CG2 ILE A 34 25.571 -9.419 4.100 1.00 0.00 C ATOM 522 CD1 ILE A 34 23.795 -7.775 2.242 1.00 0.00 C ATOM 0 H ILE A 34 23.038 -8.386 6.131 1.00 0.00 H new ATOM 0 HA ILE A 34 25.983 -8.175 6.469 1.00 0.00 H new ATOM 0 HB ILE A 34 25.931 -7.291 4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 34 23.006 -8.146 4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 34 23.614 -6.519 3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 34 25.638 -9.518 3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 34 26.540 -9.644 4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 34 24.825 -10.116 4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 34 22.826 -7.469 1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 34 24.580 -7.176 1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 34 23.962 -8.828 2.016 1.00 0.00 H new ATOM 534 N ALA A 35 25.872 -5.462 5.987 1.00 0.00 N ATOM 535 CA ALA A 35 26.012 -4.052 6.439 1.00 0.00 C ATOM 536 C ALA A 35 25.048 -3.085 5.687 1.00 0.00 C ATOM 537 O ALA A 35 25.235 -2.835 4.492 1.00 0.00 O ATOM 538 CB ALA A 35 27.474 -3.603 6.260 1.00 0.00 C ATOM 0 H ALA A 35 26.568 -5.734 5.293 1.00 0.00 H new ATOM 0 HA ALA A 35 25.735 -4.010 7.493 1.00 0.00 H new ATOM 0 HB1 ALA A 35 27.580 -2.570 6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 35 28.126 -4.243 6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.752 -3.678 5.209 1.00 0.00 H new ATOM 544 N PRO A 36 24.022 -2.485 6.390 1.00 0.00 N ATOM 545 CA PRO A 36 23.052 -1.544 5.767 1.00 0.00 C ATOM 546 C PRO A 36 23.724 -0.265 5.230 1.00 0.00 C ATOM 547 O PRO A 36 23.438 0.168 4.114 1.00 0.00 O ATOM 548 CB PRO A 36 22.054 -1.211 6.920 1.00 0.00 C ATOM 549 CG PRO A 36 22.268 -2.283 7.943 1.00 0.00 C ATOM 550 CD PRO A 36 23.730 -2.660 7.837 1.00 0.00 C ATOM 0 HA PRO A 36 22.569 -1.986 4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.249 -0.223 7.337 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.025 -1.208 6.562 1.00 0.00 H new ATOM 0 HG2 PRO A 36 22.027 -1.924 8.944 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.626 -3.143 7.750 1.00 0.00 H new ATOM 0 HD2 PRO A 36 24.357 -2.018 8.455 1.00 0.00 H new ATOM 0 HD3 PRO A 36 23.906 -3.685 8.162 1.00 0.00 H new ATOM 558 N GLU A 37 24.651 0.295 6.026 1.00 0.00 N ATOM 559 CA GLU A 37 25.337 1.565 5.707 1.00 0.00 C ATOM 560 C GLU A 37 26.386 1.392 4.588 1.00 0.00 C ATOM 561 O GLU A 37 26.944 2.381 4.118 1.00 0.00 O ATOM 562 CB GLU A 37 25.997 2.212 6.965 1.00 0.00 C ATOM 563 CG GLU A 37 27.091 1.377 7.667 1.00 0.00 C ATOM 564 CD GLU A 37 26.540 0.240 8.549 1.00 0.00 C ATOM 565 OE1 GLU A 37 26.038 0.527 9.660 1.00 0.00 O ATOM 566 OE2 GLU A 37 26.600 -0.934 8.138 1.00 0.00 O ATOM 0 H GLU A 37 24.948 -0.118 6.910 1.00 0.00 H new ATOM 0 HA GLU A 37 24.562 2.241 5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.431 3.167 6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.213 2.428 7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 37 27.750 0.950 6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 37 27.700 2.039 8.283 1.00 0.00 H new ATOM 573 N ASP A 38 26.667 0.135 4.191 1.00 0.00 N ATOM 574 CA ASP A 38 27.514 -0.174 3.021 1.00 0.00 C ATOM 575 C ASP A 38 26.701 0.028 1.727 1.00 0.00 C ATOM 576 O ASP A 38 27.223 0.493 0.701 1.00 0.00 O ATOM 577 CB ASP A 38 28.010 -1.640 3.137 1.00 0.00 C ATOM 578 CG ASP A 38 28.764 -2.168 1.903 1.00 0.00 C ATOM 579 OD1 ASP A 38 29.990 -1.969 1.810 1.00 0.00 O ATOM 580 OD2 ASP A 38 28.131 -2.794 1.016 1.00 0.00 O ATOM 0 H ASP A 38 26.314 -0.693 4.671 1.00 0.00 H new ATOM 0 HA ASP A 38 28.376 0.493 2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.664 -1.720 4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.151 -2.285 3.324 1.00 0.00 H new ATOM 585 N GLN A 39 25.413 -0.321 1.811 1.00 0.00 N ATOM 586 CA GLN A 39 24.516 -0.423 0.652 1.00 0.00 C ATOM 587 C GLN A 39 23.635 0.823 0.496 1.00 0.00 C ATOM 588 O GLN A 39 23.750 1.792 1.261 1.00 0.00 O ATOM 589 CB GLN A 39 23.648 -1.698 0.825 1.00 0.00 C ATOM 590 CG GLN A 39 24.473 -2.986 1.035 1.00 0.00 C ATOM 591 CD GLN A 39 23.613 -4.204 1.357 1.00 0.00 C ATOM 592 OE1 GLN A 39 23.308 -4.394 2.633 1.00 0.00 O flip ATOM 593 NE2 GLN A 39 23.213 -4.957 0.473 1.00 0.00 N flip ATOM 0 H GLN A 39 24.957 -0.544 2.696 1.00 0.00 H new ATOM 0 HA GLN A 39 25.112 -0.492 -0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.982 -1.561 1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 39 23.018 -1.820 -0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 39 25.055 -3.188 0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 39 25.184 -2.826 1.846 1.00 0.00 H new ATOM 0 HE21 GLN A 39 23.466 -4.782 -0.499 1.00 0.00 H new ATOM 0 HE22 GLN A 39 22.627 -5.757 0.711 1.00 0.00 H new ATOM 602 N VAL A 40 22.793 0.781 -0.544 1.00 0.00 N ATOM 603 CA VAL A 40 21.734 1.759 -0.818 1.00 0.00 C ATOM 604 C VAL A 40 20.736 1.116 -1.810 1.00 0.00 C ATOM 605 O VAL A 40 21.100 0.188 -2.557 1.00 0.00 O ATOM 606 CB VAL A 40 22.318 3.114 -1.388 1.00 0.00 C ATOM 607 CG1 VAL A 40 23.047 2.884 -2.729 1.00 0.00 C ATOM 608 CG2 VAL A 40 21.228 4.219 -1.508 1.00 0.00 C ATOM 0 H VAL A 40 22.832 0.039 -1.242 1.00 0.00 H new ATOM 0 HA VAL A 40 21.226 2.016 0.111 1.00 0.00 H new ATOM 0 HB VAL A 40 23.052 3.478 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.438 3.832 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 40 23.870 2.185 -2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 40 22.348 2.472 -3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 40 21.676 5.131 -1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.440 3.881 -2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 40 20.804 4.420 -0.524 1.00 0.00 H new ATOM 618 N VAL A 41 19.471 1.570 -1.790 1.00 0.00 N ATOM 619 CA VAL A 41 18.431 1.089 -2.719 1.00 0.00 C ATOM 620 C VAL A 41 18.192 2.157 -3.820 1.00 0.00 C ATOM 621 O VAL A 41 17.942 3.323 -3.535 1.00 0.00 O ATOM 622 CB VAL A 41 17.097 0.735 -1.958 1.00 0.00 C ATOM 623 CG1 VAL A 41 16.047 0.145 -2.908 1.00 0.00 C ATOM 624 CG2 VAL A 41 17.373 -0.238 -0.793 1.00 0.00 C ATOM 0 H VAL A 41 19.141 2.277 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 41 18.776 0.168 -3.190 1.00 0.00 H new ATOM 0 HB VAL A 41 16.697 1.663 -1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.140 -0.087 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 41 15.816 0.869 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 41 16.437 -0.766 -3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 41 16.438 -0.468 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 41 17.810 -1.158 -1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.066 0.224 -0.090 1.00 0.00 H new ATOM 634 N LEU A 42 18.310 1.724 -5.078 1.00 0.00 N ATOM 635 CA LEU A 42 18.256 2.568 -6.277 1.00 0.00 C ATOM 636 C LEU A 42 16.940 2.293 -7.018 1.00 0.00 C ATOM 637 O LEU A 42 16.533 1.138 -7.106 1.00 0.00 O ATOM 638 CB LEU A 42 19.476 2.246 -7.204 1.00 0.00 C ATOM 639 CG LEU A 42 20.911 2.382 -6.578 1.00 0.00 C ATOM 640 CD1 LEU A 42 21.071 3.704 -5.801 1.00 0.00 C ATOM 641 CD2 LEU A 42 21.287 1.163 -5.702 1.00 0.00 C ATOM 0 H LEU A 42 18.451 0.738 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 42 18.301 3.620 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.362 1.225 -7.569 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.423 2.903 -8.072 1.00 0.00 H new ATOM 0 HG LEU A 42 21.614 2.403 -7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.076 3.761 -5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 42 20.910 4.545 -6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 42 20.340 3.742 -4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.287 1.304 -5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 42 20.571 1.066 -4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.268 0.258 -6.310 1.00 0.00 H new ATOM 653 N LEU A 43 16.299 3.333 -7.578 1.00 0.00 N ATOM 654 CA LEU A 43 14.999 3.188 -8.261 1.00 0.00 C ATOM 655 C LEU A 43 15.235 2.662 -9.684 1.00 0.00 C ATOM 656 O LEU A 43 15.569 3.436 -10.594 1.00 0.00 O ATOM 657 CB LEU A 43 14.235 4.545 -8.271 1.00 0.00 C ATOM 658 CG LEU A 43 12.785 4.537 -8.850 1.00 0.00 C ATOM 659 CD1 LEU A 43 11.921 3.459 -8.160 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.129 5.938 -8.723 1.00 0.00 C ATOM 0 H LEU A 43 16.660 4.287 -7.572 1.00 0.00 H new ATOM 0 HA LEU A 43 14.377 2.472 -7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.189 4.916 -7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.824 5.262 -8.843 1.00 0.00 H new ATOM 0 HG LEU A 43 12.848 4.290 -9.910 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.916 3.474 -8.581 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.367 2.478 -8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.869 3.664 -7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.120 5.906 -9.133 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.085 6.225 -7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.721 6.668 -9.274 1.00 0.00 H new ATOM 672 N ALA A 44 15.098 1.325 -9.845 1.00 0.00 N ATOM 673 CA ALA A 44 15.365 0.617 -11.113 1.00 0.00 C ATOM 674 C ALA A 44 16.800 0.906 -11.640 1.00 0.00 C ATOM 675 O ALA A 44 17.036 0.884 -12.852 1.00 0.00 O ATOM 676 CB ALA A 44 14.286 0.972 -12.163 1.00 0.00 C ATOM 0 H ALA A 44 14.797 0.706 -9.092 1.00 0.00 H new ATOM 0 HA ALA A 44 15.312 -0.455 -10.923 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.495 0.443 -13.093 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.305 0.677 -11.791 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.296 2.046 -12.346 1.00 0.00 H new ATOM 682 N GLY A 45 17.743 1.174 -10.704 1.00 0.00 N ATOM 683 CA GLY A 45 19.146 1.484 -11.033 1.00 0.00 C ATOM 684 C GLY A 45 19.510 2.956 -10.823 1.00 0.00 C ATOM 685 O GLY A 45 20.682 3.277 -10.588 1.00 0.00 O ATOM 0 H GLY A 45 17.548 1.180 -9.703 1.00 0.00 H new ATOM 0 HA2 GLY A 45 19.800 0.865 -10.419 1.00 0.00 H new ATOM 0 HA3 GLY A 45 19.335 1.216 -12.072 1.00 0.00 H new ATOM 689 N ALA A 46 18.505 3.851 -10.897 1.00 0.00 N ATOM 690 CA ALA A 46 18.700 5.310 -10.771 1.00 0.00 C ATOM 691 C ALA A 46 19.016 5.712 -9.307 1.00 0.00 C ATOM 692 O ALA A 46 18.343 5.234 -8.383 1.00 0.00 O ATOM 693 CB ALA A 46 17.459 6.057 -11.284 1.00 0.00 C ATOM 0 H ALA A 46 17.532 3.582 -11.046 1.00 0.00 H new ATOM 0 HA ALA A 46 19.557 5.592 -11.382 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.615 7.131 -11.186 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.292 5.809 -12.332 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.589 5.762 -10.698 1.00 0.00 H new ATOM 699 N PRO A 47 20.024 6.621 -9.074 1.00 0.00 N ATOM 700 CA PRO A 47 20.491 6.986 -7.712 1.00 0.00 C ATOM 701 C PRO A 47 19.404 7.703 -6.869 1.00 0.00 C ATOM 702 O PRO A 47 19.004 8.832 -7.178 1.00 0.00 O ATOM 703 CB PRO A 47 21.720 7.903 -7.984 1.00 0.00 C ATOM 704 CG PRO A 47 21.468 8.472 -9.346 1.00 0.00 C ATOM 705 CD PRO A 47 20.780 7.369 -10.122 1.00 0.00 C ATOM 0 HA PRO A 47 20.737 6.108 -7.115 1.00 0.00 H new ATOM 0 HB2 PRO A 47 21.802 8.690 -7.234 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.651 7.337 -7.956 1.00 0.00 H new ATOM 0 HG2 PRO A 47 20.842 9.362 -9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 47 22.400 8.768 -9.827 1.00 0.00 H new ATOM 0 HD2 PRO A 47 20.115 7.771 -10.886 1.00 0.00 H new ATOM 0 HD3 PRO A 47 21.500 6.728 -10.631 1.00 0.00 H new ATOM 713 N LEU A 48 18.909 7.010 -5.825 1.00 0.00 N ATOM 714 CA LEU A 48 17.969 7.583 -4.843 1.00 0.00 C ATOM 715 C LEU A 48 18.717 8.219 -3.669 1.00 0.00 C ATOM 716 O LEU A 48 19.866 7.855 -3.369 1.00 0.00 O ATOM 717 CB LEU A 48 17.001 6.496 -4.301 1.00 0.00 C ATOM 718 CG LEU A 48 15.910 5.986 -5.287 1.00 0.00 C ATOM 719 CD1 LEU A 48 14.993 4.945 -4.603 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.080 7.164 -5.862 1.00 0.00 C ATOM 0 H LEU A 48 19.150 6.036 -5.639 1.00 0.00 H new ATOM 0 HA LEU A 48 17.394 8.352 -5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.595 5.641 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.503 6.893 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 48 16.414 5.497 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.239 4.603 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.591 4.096 -4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.503 5.401 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.326 6.777 -6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.590 7.696 -5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.740 7.847 -6.397 1.00 0.00 H new ATOM 732 N GLU A 49 18.034 9.163 -3.013 1.00 0.00 N ATOM 733 CA GLU A 49 18.498 9.785 -1.771 1.00 0.00 C ATOM 734 C GLU A 49 18.131 8.835 -0.612 1.00 0.00 C ATOM 735 O GLU A 49 16.946 8.522 -0.428 1.00 0.00 O ATOM 736 CB GLU A 49 17.821 11.177 -1.585 1.00 0.00 C ATOM 737 CG GLU A 49 17.807 12.084 -2.840 1.00 0.00 C ATOM 738 CD GLU A 49 19.203 12.519 -3.314 1.00 0.00 C ATOM 739 OE1 GLU A 49 19.734 13.523 -2.800 1.00 0.00 O ATOM 740 OE2 GLU A 49 19.778 11.867 -4.208 1.00 0.00 O ATOM 0 H GLU A 49 17.134 9.520 -3.334 1.00 0.00 H new ATOM 0 HA GLU A 49 19.576 9.946 -1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 49 16.793 11.021 -1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.333 11.706 -0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 49 17.308 11.555 -3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 49 17.214 12.973 -2.626 1.00 0.00 H new ATOM 747 N ASP A 50 19.144 8.355 0.128 1.00 0.00 N ATOM 748 CA ASP A 50 18.955 7.358 1.209 1.00 0.00 C ATOM 749 C ASP A 50 18.027 7.883 2.329 1.00 0.00 C ATOM 750 O ASP A 50 17.175 7.151 2.831 1.00 0.00 O ATOM 751 CB ASP A 50 20.323 6.912 1.787 1.00 0.00 C ATOM 752 CG ASP A 50 21.139 8.084 2.355 1.00 0.00 C ATOM 753 OD1 ASP A 50 21.817 8.781 1.568 1.00 0.00 O ATOM 754 OD2 ASP A 50 21.083 8.340 3.578 1.00 0.00 O ATOM 0 H ASP A 50 20.114 8.642 -0.001 1.00 0.00 H new ATOM 0 HA ASP A 50 18.464 6.490 0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 50 20.158 6.175 2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.900 6.419 1.005 1.00 0.00 H new ATOM 759 N GLU A 51 18.167 9.171 2.665 1.00 0.00 N ATOM 760 CA GLU A 51 17.413 9.804 3.764 1.00 0.00 C ATOM 761 C GLU A 51 15.997 10.234 3.321 1.00 0.00 C ATOM 762 O GLU A 51 15.204 10.706 4.146 1.00 0.00 O ATOM 763 CB GLU A 51 18.207 11.014 4.303 1.00 0.00 C ATOM 764 CG GLU A 51 18.489 12.118 3.259 1.00 0.00 C ATOM 765 CD GLU A 51 19.221 13.322 3.866 1.00 0.00 C ATOM 766 OE1 GLU A 51 18.580 14.100 4.610 1.00 0.00 O ATOM 767 OE2 GLU A 51 20.437 13.486 3.628 1.00 0.00 O ATOM 0 H GLU A 51 18.805 9.807 2.186 1.00 0.00 H new ATOM 0 HA GLU A 51 17.287 9.068 4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.655 11.452 5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.157 10.659 4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.087 11.703 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.547 12.451 2.822 1.00 0.00 H new ATOM 774 N ALA A 52 15.691 10.076 2.018 1.00 0.00 N ATOM 775 CA ALA A 52 14.376 10.410 1.451 1.00 0.00 C ATOM 776 C ALA A 52 13.440 9.199 1.526 1.00 0.00 C ATOM 777 O ALA A 52 13.873 8.067 1.286 1.00 0.00 O ATOM 778 CB ALA A 52 14.526 10.876 -0.004 1.00 0.00 C ATOM 0 H ALA A 52 16.352 9.713 1.331 1.00 0.00 H new ATOM 0 HA ALA A 52 13.942 11.222 2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.545 11.120 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.163 11.760 -0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.977 10.080 -0.596 1.00 0.00 H new ATOM 784 N THR A 53 12.156 9.453 1.848 1.00 0.00 N ATOM 785 CA THR A 53 11.118 8.405 1.930 1.00 0.00 C ATOM 786 C THR A 53 10.746 7.894 0.515 1.00 0.00 C ATOM 787 O THR A 53 11.148 8.513 -0.478 1.00 0.00 O ATOM 788 CB THR A 53 9.841 8.930 2.674 1.00 0.00 C ATOM 789 OG1 THR A 53 9.189 9.949 1.905 1.00 0.00 O ATOM 790 CG2 THR A 53 10.181 9.500 4.065 1.00 0.00 C ATOM 0 H THR A 53 11.809 10.389 2.058 1.00 0.00 H new ATOM 0 HA THR A 53 11.527 7.574 2.505 1.00 0.00 H new ATOM 0 HB THR A 53 9.176 8.075 2.798 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.394 10.263 2.385 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.269 9.853 4.547 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.636 8.721 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.879 10.330 3.957 1.00 0.00 H new ATOM 798 N LEU A 54 9.987 6.770 0.424 1.00 0.00 N ATOM 799 CA LEU A 54 9.482 6.264 -0.875 1.00 0.00 C ATOM 800 C LEU A 54 8.602 7.341 -1.548 1.00 0.00 C ATOM 801 O LEU A 54 8.740 7.599 -2.743 1.00 0.00 O ATOM 802 CB LEU A 54 8.677 4.927 -0.737 1.00 0.00 C ATOM 803 CG LEU A 54 9.486 3.606 -0.473 1.00 0.00 C ATOM 804 CD1 LEU A 54 10.713 3.476 -1.408 1.00 0.00 C ATOM 805 CD2 LEU A 54 9.884 3.456 1.004 1.00 0.00 C ATOM 0 H LEU A 54 9.715 6.204 1.228 1.00 0.00 H new ATOM 0 HA LEU A 54 10.352 6.047 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.962 5.050 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.099 4.788 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 54 8.814 2.781 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 54 11.241 2.548 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.380 3.468 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.383 4.321 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.441 2.529 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.507 4.300 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.987 3.433 1.622 1.00 0.00 H new ATOM 817 N GLY A 55 7.734 7.981 -0.736 1.00 0.00 N ATOM 818 CA GLY A 55 6.864 9.067 -1.203 1.00 0.00 C ATOM 819 C GLY A 55 7.642 10.297 -1.682 1.00 0.00 C ATOM 820 O GLY A 55 7.274 10.927 -2.681 1.00 0.00 O ATOM 0 H GLY A 55 7.621 7.758 0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.240 8.700 -2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.194 9.360 -0.395 1.00 0.00 H new ATOM 824 N GLN A 56 8.745 10.608 -0.973 1.00 0.00 N ATOM 825 CA GLN A 56 9.621 11.764 -1.275 1.00 0.00 C ATOM 826 C GLN A 56 10.365 11.544 -2.611 1.00 0.00 C ATOM 827 O GLN A 56 10.495 12.465 -3.425 1.00 0.00 O ATOM 828 CB GLN A 56 10.616 11.974 -0.097 1.00 0.00 C ATOM 829 CG GLN A 56 11.436 13.287 -0.118 1.00 0.00 C ATOM 830 CD GLN A 56 12.298 13.480 1.143 1.00 0.00 C ATOM 831 OE1 GLN A 56 11.951 13.009 2.229 1.00 0.00 O ATOM 832 NE2 GLN A 56 13.418 14.171 1.016 1.00 0.00 N ATOM 0 H GLN A 56 9.057 10.063 -0.170 1.00 0.00 H new ATOM 0 HA GLN A 56 9.016 12.664 -1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.054 11.936 0.836 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.313 11.136 -0.084 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.081 13.291 -0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.755 14.132 -0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.683 14.550 0.107 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.017 14.325 1.827 1.00 0.00 H new ATOM 841 N CYS A 57 10.805 10.289 -2.827 1.00 0.00 N ATOM 842 CA CYS A 57 11.482 9.854 -4.067 1.00 0.00 C ATOM 843 C CYS A 57 10.472 9.591 -5.212 1.00 0.00 C ATOM 844 O CYS A 57 10.875 9.380 -6.360 1.00 0.00 O ATOM 845 CB CYS A 57 12.315 8.585 -3.779 1.00 0.00 C ATOM 846 SG CYS A 57 13.624 8.817 -2.551 1.00 0.00 S ATOM 0 H CYS A 57 10.700 9.542 -2.141 1.00 0.00 H new ATOM 0 HA CYS A 57 12.140 10.658 -4.397 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.646 7.796 -3.436 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.764 8.240 -4.710 1.00 0.00 H new ATOM 0 HG CYS A 57 13.111 8.780 -1.357 1.00 0.00 H new ATOM 852 N GLY A 58 9.166 9.583 -4.874 1.00 0.00 N ATOM 853 CA GLY A 58 8.084 9.408 -5.850 1.00 0.00 C ATOM 854 C GLY A 58 7.893 7.969 -6.318 1.00 0.00 C ATOM 855 O GLY A 58 7.319 7.729 -7.385 1.00 0.00 O ATOM 0 H GLY A 58 8.838 9.698 -3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.152 9.762 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.286 10.037 -6.717 1.00 0.00 H new ATOM 859 N VAL A 59 8.383 7.022 -5.508 1.00 0.00 N ATOM 860 CA VAL A 59 8.254 5.582 -5.762 1.00 0.00 C ATOM 861 C VAL A 59 6.801 5.143 -5.498 1.00 0.00 C ATOM 862 O VAL A 59 6.208 5.531 -4.485 1.00 0.00 O ATOM 863 CB VAL A 59 9.237 4.755 -4.851 1.00 0.00 C ATOM 864 CG1 VAL A 59 9.167 3.249 -5.165 1.00 0.00 C ATOM 865 CG2 VAL A 59 10.694 5.282 -4.965 1.00 0.00 C ATOM 0 H VAL A 59 8.886 7.237 -4.647 1.00 0.00 H new ATOM 0 HA VAL A 59 8.515 5.389 -6.803 1.00 0.00 H new ATOM 0 HB VAL A 59 8.914 4.892 -3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.858 2.710 -4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.153 2.888 -4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.440 3.081 -6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 59 11.346 4.689 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 59 11.030 5.201 -5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.729 6.326 -4.653 1.00 0.00 H new ATOM 875 N GLU A 60 6.242 4.336 -6.416 1.00 0.00 N ATOM 876 CA GLU A 60 4.816 3.948 -6.400 1.00 0.00 C ATOM 877 C GLU A 60 4.655 2.434 -6.146 1.00 0.00 C ATOM 878 O GLU A 60 5.622 1.739 -5.796 1.00 0.00 O ATOM 879 CB GLU A 60 4.169 4.372 -7.754 1.00 0.00 C ATOM 880 CG GLU A 60 4.244 5.888 -8.040 1.00 0.00 C ATOM 881 CD GLU A 60 3.635 6.288 -9.396 1.00 0.00 C ATOM 882 OE1 GLU A 60 4.367 6.299 -10.409 1.00 0.00 O ATOM 883 OE2 GLU A 60 2.422 6.585 -9.458 1.00 0.00 O ATOM 0 H GLU A 60 6.765 3.932 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 60 4.306 4.459 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.662 3.835 -8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.124 4.064 -7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.726 6.426 -7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.287 6.204 -8.012 1.00 0.00 H new ATOM 890 N ALA A 61 3.413 1.945 -6.289 1.00 0.00 N ATOM 891 CA ALA A 61 3.089 0.513 -6.206 1.00 0.00 C ATOM 892 C ALA A 61 3.429 -0.189 -7.536 1.00 0.00 C ATOM 893 O ALA A 61 3.464 0.454 -8.593 1.00 0.00 O ATOM 894 CB ALA A 61 1.607 0.321 -5.840 1.00 0.00 C ATOM 0 H ALA A 61 2.601 2.536 -6.467 1.00 0.00 H new ATOM 0 HA ALA A 61 3.692 0.059 -5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.382 -0.744 -5.782 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.407 0.787 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.981 0.783 -6.603 1.00 0.00 H new ATOM 900 N LEU A 62 3.703 -1.512 -7.446 1.00 0.00 N ATOM 901 CA LEU A 62 4.128 -2.380 -8.579 1.00 0.00 C ATOM 902 C LEU A 62 5.447 -1.886 -9.215 1.00 0.00 C ATOM 903 O LEU A 62 5.782 -2.244 -10.348 1.00 0.00 O ATOM 904 CB LEU A 62 2.992 -2.564 -9.648 1.00 0.00 C ATOM 905 CG LEU A 62 1.746 -3.422 -9.212 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.177 -4.805 -8.660 1.00 0.00 C ATOM 907 CD2 LEU A 62 0.837 -2.670 -8.208 1.00 0.00 C ATOM 0 H LEU A 62 3.634 -2.021 -6.565 1.00 0.00 H new ATOM 0 HA LEU A 62 4.323 -3.368 -8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.639 -1.576 -9.943 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.429 -3.024 -10.534 1.00 0.00 H new ATOM 0 HG LEU A 62 1.151 -3.593 -10.109 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.293 -5.372 -8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.720 -5.351 -9.431 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.821 -4.666 -7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.008 -3.303 -7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.408 -2.426 -7.312 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.470 -1.752 -8.666 1.00 0.00 H new ATOM 919 N THR A 63 6.202 -1.101 -8.435 1.00 0.00 N ATOM 920 CA THR A 63 7.516 -0.572 -8.815 1.00 0.00 C ATOM 921 C THR A 63 8.606 -1.527 -8.292 1.00 0.00 C ATOM 922 O THR A 63 8.361 -2.296 -7.358 1.00 0.00 O ATOM 923 CB THR A 63 7.676 0.874 -8.233 1.00 0.00 C ATOM 924 OG1 THR A 63 6.575 1.684 -8.681 1.00 0.00 O ATOM 925 CG2 THR A 63 8.986 1.559 -8.643 1.00 0.00 C ATOM 0 H THR A 63 5.909 -0.811 -7.502 1.00 0.00 H new ATOM 0 HA THR A 63 7.613 -0.507 -9.899 1.00 0.00 H new ATOM 0 HB THR A 63 7.692 0.775 -7.148 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.864 2.617 -8.754 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.028 2.556 -8.204 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.831 0.970 -8.288 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.030 1.639 -9.729 1.00 0.00 H new ATOM 933 N THR A 64 9.794 -1.513 -8.911 1.00 0.00 N ATOM 934 CA THR A 64 10.898 -2.410 -8.532 1.00 0.00 C ATOM 935 C THR A 64 12.222 -1.644 -8.466 1.00 0.00 C ATOM 936 O THR A 64 12.662 -1.025 -9.441 1.00 0.00 O ATOM 937 CB THR A 64 11.016 -3.635 -9.487 1.00 0.00 C ATOM 938 OG1 THR A 64 9.761 -4.329 -9.494 1.00 0.00 O ATOM 939 CG2 THR A 64 12.122 -4.617 -9.043 1.00 0.00 C ATOM 0 H THR A 64 10.018 -0.885 -9.683 1.00 0.00 H new ATOM 0 HA THR A 64 10.669 -2.798 -7.539 1.00 0.00 H new ATOM 0 HB THR A 64 11.276 -3.266 -10.479 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.819 -5.103 -10.092 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.166 -5.454 -9.739 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.083 -4.102 -9.033 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.899 -4.988 -8.043 1.00 0.00 H new ATOM 947 N LEU A 65 12.828 -1.699 -7.280 1.00 0.00 N ATOM 948 CA LEU A 65 14.085 -1.038 -6.957 1.00 0.00 C ATOM 949 C LEU A 65 15.205 -2.103 -6.889 1.00 0.00 C ATOM 950 O LEU A 65 14.931 -3.289 -7.055 1.00 0.00 O ATOM 951 CB LEU A 65 13.931 -0.269 -5.610 1.00 0.00 C ATOM 952 CG LEU A 65 12.820 0.852 -5.534 1.00 0.00 C ATOM 953 CD1 LEU A 65 11.390 0.266 -5.466 1.00 0.00 C ATOM 954 CD2 LEU A 65 13.062 1.808 -4.344 1.00 0.00 C ATOM 0 H LEU A 65 12.442 -2.223 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 65 14.351 -0.312 -7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.726 -0.999 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.890 0.191 -5.374 1.00 0.00 H new ATOM 0 HG LEU A 65 12.898 1.420 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.666 1.079 -5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.200 -0.334 -6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.295 -0.360 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.280 2.567 -4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.045 1.242 -3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 65 14.033 2.291 -4.457 1.00 0.00 H new ATOM 966 N GLU A 66 16.446 -1.680 -6.617 1.00 0.00 N ATOM 967 CA GLU A 66 17.643 -2.561 -6.657 1.00 0.00 C ATOM 968 C GLU A 66 18.601 -2.212 -5.504 1.00 0.00 C ATOM 969 O GLU A 66 18.729 -1.060 -5.151 1.00 0.00 O ATOM 970 CB GLU A 66 18.349 -2.384 -8.026 1.00 0.00 C ATOM 971 CG GLU A 66 19.603 -3.249 -8.235 1.00 0.00 C ATOM 972 CD GLU A 66 20.244 -3.022 -9.609 1.00 0.00 C ATOM 973 OE1 GLU A 66 21.095 -2.115 -9.735 1.00 0.00 O ATOM 974 OE2 GLU A 66 19.882 -3.728 -10.575 1.00 0.00 O ATOM 0 H GLU A 66 16.660 -0.716 -6.361 1.00 0.00 H new ATOM 0 HA GLU A 66 17.339 -3.601 -6.538 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.634 -2.612 -8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.627 -1.336 -8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.331 -3.024 -7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.338 -4.301 -8.130 1.00 0.00 H new ATOM 981 N VAL A 67 19.279 -3.212 -4.918 1.00 0.00 N ATOM 982 CA VAL A 67 20.225 -2.989 -3.803 1.00 0.00 C ATOM 983 C VAL A 67 21.666 -3.071 -4.324 1.00 0.00 C ATOM 984 O VAL A 67 22.077 -4.109 -4.861 1.00 0.00 O ATOM 985 CB VAL A 67 20.019 -4.032 -2.646 1.00 0.00 C ATOM 986 CG1 VAL A 67 20.945 -3.740 -1.441 1.00 0.00 C ATOM 987 CG2 VAL A 67 18.548 -4.071 -2.200 1.00 0.00 C ATOM 0 H VAL A 67 19.191 -4.189 -5.197 1.00 0.00 H new ATOM 0 HA VAL A 67 20.032 -1.997 -3.395 1.00 0.00 H new ATOM 0 HB VAL A 67 20.288 -5.012 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 67 20.773 -4.482 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 67 21.986 -3.785 -1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 67 20.729 -2.746 -1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.430 -4.800 -1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.250 -3.086 -1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.919 -4.355 -3.044 1.00 0.00 H new ATOM 997 N ALA A 68 22.424 -1.968 -4.180 1.00 0.00 N ATOM 998 CA ALA A 68 23.849 -1.916 -4.559 1.00 0.00 C ATOM 999 C ALA A 68 24.669 -1.221 -3.458 1.00 0.00 C ATOM 1000 O ALA A 68 24.150 -0.367 -2.740 1.00 0.00 O ATOM 1001 CB ALA A 68 24.013 -1.203 -5.906 1.00 0.00 C ATOM 0 H ALA A 68 22.068 -1.091 -3.799 1.00 0.00 H new ATOM 0 HA ALA A 68 24.225 -2.933 -4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 68 25.069 -1.171 -6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 68 23.459 -1.744 -6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.627 -0.186 -5.829 1.00 0.00 H new ATOM 1007 N GLY A 69 25.953 -1.607 -3.330 1.00 0.00 N ATOM 1008 CA GLY A 69 26.862 -1.036 -2.331 1.00 0.00 C ATOM 1009 C GLY A 69 27.608 0.177 -2.865 1.00 0.00 C ATOM 1010 O GLY A 69 28.660 0.030 -3.494 1.00 0.00 O ATOM 0 H GLY A 69 26.383 -2.322 -3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.294 -0.751 -1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.580 -1.794 -2.019 1.00 0.00 H new ATOM 1014 N ARG A 70 27.054 1.384 -2.631 1.00 0.00 N ATOM 1015 CA ARG A 70 27.633 2.647 -3.138 1.00 0.00 C ATOM 1016 C ARG A 70 28.234 3.514 -2.006 1.00 0.00 C ATOM 1017 O ARG A 70 28.943 4.486 -2.282 1.00 0.00 O ATOM 1018 CB ARG A 70 26.561 3.447 -3.929 1.00 0.00 C ATOM 1019 CG ARG A 70 26.007 2.724 -5.181 1.00 0.00 C ATOM 1020 CD ARG A 70 25.015 3.605 -5.965 1.00 0.00 C ATOM 1021 NE ARG A 70 24.528 2.945 -7.196 1.00 0.00 N ATOM 1022 CZ ARG A 70 24.413 3.540 -8.400 1.00 0.00 C ATOM 1023 NH1 ARG A 70 24.856 4.776 -8.599 1.00 0.00 N ATOM 1024 NH2 ARG A 70 23.898 2.869 -9.418 1.00 0.00 N ATOM 0 H ARG A 70 26.199 1.512 -2.090 1.00 0.00 H new ATOM 0 HA ARG A 70 28.453 2.385 -3.807 1.00 0.00 H new ATOM 0 HB2 ARG A 70 25.731 3.675 -3.261 1.00 0.00 H new ATOM 0 HB3 ARG A 70 26.992 4.399 -4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 70 26.834 2.442 -5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 70 25.511 1.802 -4.877 1.00 0.00 H new ATOM 0 HD2 ARG A 70 24.166 3.849 -5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 70 25.498 4.547 -6.227 1.00 0.00 H new ATOM 0 HE ARG A 70 24.258 1.964 -7.129 1.00 0.00 H new ATOM 0 HH11 ARG A 70 25.292 5.291 -7.834 1.00 0.00 H new ATOM 0 HH12 ARG A 70 24.761 5.210 -9.517 1.00 0.00 H new ATOM 0 HH21 ARG A 70 23.590 1.905 -9.290 1.00 0.00 H new ATOM 0 HH22 ARG A 70 23.809 3.316 -10.331 1.00 0.00 H new ATOM 1038 N MET A 71 27.955 3.168 -0.738 1.00 0.00 N ATOM 1039 CA MET A 71 28.451 3.941 0.424 1.00 0.00 C ATOM 1040 C MET A 71 29.724 3.290 1.000 1.00 0.00 C ATOM 1041 O MET A 71 29.657 2.200 1.585 1.00 0.00 O ATOM 1042 CB MET A 71 27.361 4.039 1.520 1.00 0.00 C ATOM 1043 CG MET A 71 26.084 4.772 1.109 1.00 0.00 C ATOM 1044 SD MET A 71 24.851 4.815 2.435 1.00 0.00 S ATOM 1045 CE MET A 71 25.746 5.604 3.780 1.00 0.00 C ATOM 0 H MET A 71 27.388 2.358 -0.487 1.00 0.00 H new ATOM 0 HA MET A 71 28.694 4.948 0.085 1.00 0.00 H new ATOM 0 HB2 MET A 71 27.095 3.030 1.836 1.00 0.00 H new ATOM 0 HB3 MET A 71 27.786 4.543 2.388 1.00 0.00 H new ATOM 0 HG2 MET A 71 26.333 5.792 0.816 1.00 0.00 H new ATOM 0 HG3 MET A 71 25.655 4.284 0.234 1.00 0.00 H new ATOM 0 HE1 MET A 71 25.059 6.215 4.365 1.00 0.00 H new ATOM 0 HE2 MET A 71 26.188 4.840 4.420 1.00 0.00 H new ATOM 0 HE3 MET A 71 26.535 6.236 3.371 1.00 0.00 H new ATOM 1055 N LEU A 72 30.882 3.957 0.826 1.00 0.00 N ATOM 1056 CA LEU A 72 32.165 3.490 1.389 1.00 0.00 C ATOM 1057 C LEU A 72 32.208 3.770 2.906 1.00 0.00 C ATOM 1058 O LEU A 72 32.564 2.898 3.704 1.00 0.00 O ATOM 1059 CB LEU A 72 33.364 4.173 0.669 1.00 0.00 C ATOM 1060 CG LEU A 72 34.790 3.666 1.074 1.00 0.00 C ATOM 1061 CD1 LEU A 72 34.976 2.168 0.724 1.00 0.00 C ATOM 1062 CD2 LEU A 72 35.900 4.528 0.421 1.00 0.00 C ATOM 0 H LEU A 72 30.955 4.826 0.297 1.00 0.00 H new ATOM 0 HA LEU A 72 32.246 2.415 1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 72 33.243 4.035 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 72 33.314 5.245 0.860 1.00 0.00 H new ATOM 0 HG LEU A 72 34.878 3.770 2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 72 35.975 1.847 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 72 34.233 1.575 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 72 34.850 2.027 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 72 36.878 4.151 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 72 35.809 4.477 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 72 35.795 5.563 0.746 1.00 0.00 H new ATOM 1074 N GLY A 73 31.822 4.999 3.280 1.00 0.00 N ATOM 1075 CA GLY A 73 31.720 5.415 4.684 1.00 0.00 C ATOM 1076 C GLY A 73 30.336 5.950 5.021 1.00 0.00 C ATOM 1077 O GLY A 73 29.653 6.497 4.144 1.00 0.00 O ATOM 0 H GLY A 73 31.572 5.732 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 73 31.948 4.568 5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 73 32.466 6.183 4.890 1.00 0.00 H new ATOM 1081 N GLY A 74 29.921 5.796 6.293 1.00 0.00 N ATOM 1082 CA GLY A 74 28.619 6.285 6.762 1.00 0.00 C ATOM 1083 C GLY A 74 28.144 5.583 8.036 1.00 0.00 C ATOM 1084 O GLY A 74 28.994 5.108 8.824 1.00 0.00 O ATOM 1085 OXT GLY A 74 26.923 5.527 8.280 1.00 0.00 O ATOM 0 H GLY A 74 30.475 5.334 7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 74 28.684 7.357 6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 74 27.878 6.141 5.976 1.00 0.00 H new TER 1089 GLY A 74