USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 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 39 THR OG1 : rot -129:sc= 0.348 USER MOD Set 1.2: A 45 THR OG1 : rot -120:sc= -0.192 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 9:sc= 1.19 USER MOD Single : A 12 GLN : amide:sc= -1.62 K(o=-1.6,f=-6.8!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -148:sc= 0.572 (180deg=0.142) USER MOD Single : A 26 HIS : no HE2:sc= -2.62 K(o=-2.6,f=-7.5!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 41:sc= 0.556 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.11! C(o=-5.1!,f=-8.6!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.747 -11.595 -18.147 1.00 0.00 N ATOM 2 CA GLY A 1 -9.523 -10.932 -17.113 1.00 0.00 C ATOM 3 C GLY A 1 -8.994 -9.521 -16.850 1.00 0.00 C ATOM 4 O GLY A 1 -8.598 -9.202 -15.730 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.126 -12.550 -18.307 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.805 -11.048 -19.029 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.754 -11.662 -17.846 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.569 -10.882 -17.415 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.484 -11.516 -16.193 1.00 0.00 H new ATOM 8 N SER A 2 -9.003 -8.714 -17.901 1.00 0.00 N ATOM 9 CA SER A 2 -8.528 -7.344 -17.798 1.00 0.00 C ATOM 10 C SER A 2 -7.038 -7.332 -17.449 1.00 0.00 C ATOM 11 O SER A 2 -6.667 -7.503 -16.289 1.00 0.00 O ATOM 12 CB SER A 2 -9.325 -6.564 -16.751 1.00 0.00 C ATOM 13 OG SER A 2 -8.997 -5.177 -16.756 1.00 0.00 O ATOM 0 H SER A 2 -9.332 -8.983 -18.828 1.00 0.00 H new ATOM 0 HA SER A 2 -8.672 -6.857 -18.763 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.391 -6.685 -16.942 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.129 -6.979 -15.762 1.00 0.00 H new ATOM 0 HG SER A 2 -9.528 -4.713 -16.075 1.00 0.00 H new ATOM 18 N SER A 3 -6.225 -7.128 -18.475 1.00 0.00 N ATOM 19 CA SER A 3 -4.784 -7.091 -18.292 1.00 0.00 C ATOM 20 C SER A 3 -4.165 -6.048 -19.224 1.00 0.00 C ATOM 21 O SER A 3 -4.356 -6.104 -20.437 1.00 0.00 O ATOM 22 CB SER A 3 -4.161 -8.465 -18.544 1.00 0.00 C ATOM 23 OG SER A 3 -2.780 -8.499 -18.192 1.00 0.00 O ATOM 0 H SER A 3 -6.537 -6.987 -19.436 1.00 0.00 H new ATOM 0 HA SER A 3 -4.578 -6.813 -17.258 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.700 -9.218 -17.969 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.273 -8.726 -19.596 1.00 0.00 H new ATOM 0 HG SER A 3 -2.420 -9.394 -18.366 1.00 0.00 H new ATOM 28 N GLY A 4 -3.434 -5.122 -18.621 1.00 0.00 N ATOM 29 CA GLY A 4 -2.785 -4.068 -19.382 1.00 0.00 C ATOM 30 C GLY A 4 -1.654 -3.426 -18.577 1.00 0.00 C ATOM 31 O GLY A 4 -1.196 -3.992 -17.584 1.00 0.00 O ATOM 0 H GLY A 4 -3.277 -5.080 -17.614 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.388 -4.477 -20.311 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.518 -3.309 -19.656 1.00 0.00 H new ATOM 35 N SER A 5 -1.234 -2.256 -19.034 1.00 0.00 N ATOM 36 CA SER A 5 -0.165 -1.532 -18.368 1.00 0.00 C ATOM 37 C SER A 5 -0.752 -0.431 -17.481 1.00 0.00 C ATOM 38 O SER A 5 -1.931 -0.100 -17.594 1.00 0.00 O ATOM 39 CB SER A 5 0.809 -0.932 -19.384 1.00 0.00 C ATOM 40 OG SER A 5 2.167 -1.159 -19.017 1.00 0.00 O ATOM 0 H SER A 5 -1.615 -1.791 -19.858 1.00 0.00 H new ATOM 0 HA SER A 5 0.388 -2.235 -17.745 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.621 -1.365 -20.366 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.630 0.140 -19.469 1.00 0.00 H new ATOM 0 HG SER A 5 2.758 -0.763 -19.691 1.00 0.00 H new ATOM 45 N SER A 6 0.099 0.105 -16.619 1.00 0.00 N ATOM 46 CA SER A 6 -0.320 1.161 -15.712 1.00 0.00 C ATOM 47 C SER A 6 0.531 2.412 -15.938 1.00 0.00 C ATOM 48 O SER A 6 1.547 2.360 -16.630 1.00 0.00 O ATOM 49 CB SER A 6 -0.223 0.708 -14.255 1.00 0.00 C ATOM 50 OG SER A 6 -1.503 0.621 -13.635 1.00 0.00 O ATOM 0 H SER A 6 1.077 -0.172 -16.529 1.00 0.00 H new ATOM 0 HA SER A 6 -1.364 1.397 -15.920 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.268 -0.264 -14.210 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.402 1.407 -13.699 1.00 0.00 H new ATOM 0 HG SER A 6 -1.397 0.327 -12.706 1.00 0.00 H new ATOM 55 N GLY A 7 0.086 3.508 -15.340 1.00 0.00 N ATOM 56 CA GLY A 7 0.795 4.770 -15.467 1.00 0.00 C ATOM 57 C GLY A 7 -0.042 5.926 -14.916 1.00 0.00 C ATOM 58 O GLY A 7 -1.262 5.943 -15.070 1.00 0.00 O ATOM 0 H GLY A 7 -0.757 3.548 -14.766 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.743 4.715 -14.931 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.032 4.955 -16.515 1.00 0.00 H new ATOM 62 N SER A 8 0.647 6.866 -14.287 1.00 0.00 N ATOM 63 CA SER A 8 -0.017 8.024 -13.712 1.00 0.00 C ATOM 64 C SER A 8 1.020 9.058 -13.274 1.00 0.00 C ATOM 65 O SER A 8 2.188 8.728 -13.075 1.00 0.00 O ATOM 66 CB SER A 8 -0.899 7.622 -12.528 1.00 0.00 C ATOM 67 OG SER A 8 -2.129 7.041 -12.951 1.00 0.00 O ATOM 0 H SER A 8 1.659 6.850 -14.163 1.00 0.00 H new ATOM 0 HA SER A 8 -0.659 8.464 -14.475 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.361 6.913 -11.899 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.105 8.499 -11.915 1.00 0.00 H new ATOM 0 HG SER A 8 -2.101 6.883 -13.918 1.00 0.00 H new ATOM 72 N PRO A 9 0.545 10.325 -13.132 1.00 0.00 N ATOM 73 CA PRO A 9 1.418 11.412 -12.722 1.00 0.00 C ATOM 74 C PRO A 9 1.734 11.326 -11.227 1.00 0.00 C ATOM 75 O PRO A 9 1.493 12.275 -10.483 1.00 0.00 O ATOM 76 CB PRO A 9 0.673 12.681 -13.099 1.00 0.00 C ATOM 77 CG PRO A 9 -0.781 12.272 -13.280 1.00 0.00 C ATOM 78 CD PRO A 9 -0.832 10.755 -13.359 1.00 0.00 C ATOM 0 HA PRO A 9 2.391 11.378 -13.213 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.772 13.438 -12.321 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.075 13.112 -14.016 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.385 12.631 -12.447 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.192 12.716 -14.187 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.505 10.342 -12.607 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.196 10.421 -14.331 1.00 0.00 H new ATOM 83 N ASP A 10 2.268 10.179 -10.832 1.00 0.00 N ATOM 84 CA ASP A 10 2.619 9.957 -9.439 1.00 0.00 C ATOM 85 C ASP A 10 3.131 8.526 -9.269 1.00 0.00 C ATOM 86 O ASP A 10 2.420 7.568 -9.570 1.00 0.00 O ATOM 87 CB ASP A 10 1.402 10.136 -8.530 1.00 0.00 C ATOM 88 CG ASP A 10 1.648 10.981 -7.279 1.00 0.00 C ATOM 89 OD1 ASP A 10 2.832 11.292 -7.029 1.00 0.00 O ATOM 90 OD2 ASP A 10 0.646 11.299 -6.603 1.00 0.00 O ATOM 0 H ASP A 10 2.466 9.394 -11.452 1.00 0.00 H new ATOM 0 HA ASP A 10 3.384 10.683 -9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.600 10.595 -9.108 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.050 9.152 -8.222 1.00 0.00 H new ATOM 94 N VAL A 11 4.361 8.425 -8.788 1.00 0.00 N ATOM 95 CA VAL A 11 4.977 7.126 -8.574 1.00 0.00 C ATOM 96 C VAL A 11 5.142 6.886 -7.071 1.00 0.00 C ATOM 97 O VAL A 11 6.144 6.321 -6.637 1.00 0.00 O ATOM 98 CB VAL A 11 6.298 7.040 -9.342 1.00 0.00 C ATOM 99 CG1 VAL A 11 6.965 5.678 -9.134 1.00 0.00 C ATOM 100 CG2 VAL A 11 6.086 7.327 -10.830 1.00 0.00 C ATOM 0 H VAL A 11 4.948 9.221 -8.540 1.00 0.00 H new ATOM 0 HA VAL A 11 4.339 6.332 -8.962 1.00 0.00 H new ATOM 0 HB VAL A 11 6.967 7.804 -8.946 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.902 5.643 -9.690 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.167 5.530 -8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.302 4.890 -9.490 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.040 7.260 -11.353 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.392 6.597 -11.246 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.675 8.329 -10.952 1.00 0.00 H new ATOM 110 N GLN A 12 4.143 7.328 -6.321 1.00 0.00 N ATOM 111 CA GLN A 12 4.165 7.168 -4.877 1.00 0.00 C ATOM 112 C GLN A 12 3.740 5.749 -4.494 1.00 0.00 C ATOM 113 O GLN A 12 3.653 5.421 -3.311 1.00 0.00 O ATOM 114 CB GLN A 12 3.277 8.210 -4.196 1.00 0.00 C ATOM 115 CG GLN A 12 4.119 9.324 -3.571 1.00 0.00 C ATOM 116 CD GLN A 12 4.143 9.202 -2.046 1.00 0.00 C ATOM 117 OE1 GLN A 12 3.763 8.195 -1.472 1.00 0.00 O ATOM 118 NE2 GLN A 12 4.610 10.281 -1.424 1.00 0.00 N ATOM 0 H GLN A 12 3.314 7.797 -6.686 1.00 0.00 H new ATOM 0 HA GLN A 12 5.186 7.327 -4.529 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.587 8.636 -4.924 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.673 7.731 -3.426 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.136 9.277 -3.959 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.713 10.295 -3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.912 11.091 -1.965 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.666 10.298 -0.406 1.00 0.00 H new ATOM 125 N LEU A 13 3.485 4.945 -5.516 1.00 0.00 N ATOM 126 CA LEU A 13 3.070 3.570 -5.300 1.00 0.00 C ATOM 127 C LEU A 13 4.040 2.895 -4.329 1.00 0.00 C ATOM 128 O LEU A 13 3.621 2.348 -3.309 1.00 0.00 O ATOM 129 CB LEU A 13 2.930 2.837 -6.636 1.00 0.00 C ATOM 130 CG LEU A 13 1.551 2.244 -6.934 1.00 0.00 C ATOM 131 CD1 LEU A 13 1.269 2.241 -8.438 1.00 0.00 C ATOM 132 CD2 LEU A 13 1.411 0.849 -6.323 1.00 0.00 C ATOM 0 H LEU A 13 3.558 5.220 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 13 2.083 3.539 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.186 3.530 -7.437 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.664 2.032 -6.665 1.00 0.00 H new ATOM 0 HG LEU A 13 0.798 2.878 -6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.283 1.815 -8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.299 3.263 -8.816 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.024 1.643 -8.949 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.422 0.450 -6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.172 0.191 -6.741 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.539 0.911 -5.242 1.00 0.00 H new ATOM 143 N ALA A 14 5.316 2.956 -4.677 1.00 0.00 N ATOM 144 CA ALA A 14 6.348 2.358 -3.848 1.00 0.00 C ATOM 145 C ALA A 14 6.081 2.701 -2.381 1.00 0.00 C ATOM 146 O ALA A 14 5.929 1.808 -1.550 1.00 0.00 O ATOM 147 CB ALA A 14 7.723 2.839 -4.318 1.00 0.00 C ATOM 0 H ALA A 14 5.659 3.411 -5.523 1.00 0.00 H new ATOM 0 HA ALA A 14 6.333 1.272 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.498 2.390 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.876 2.545 -5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.776 3.925 -4.237 1.00 0.00 H new ATOM 153 N THR A 15 6.032 3.997 -2.109 1.00 0.00 N ATOM 154 CA THR A 15 5.786 4.468 -0.758 1.00 0.00 C ATOM 155 C THR A 15 4.577 3.751 -0.154 1.00 0.00 C ATOM 156 O THR A 15 4.573 3.423 1.032 1.00 0.00 O ATOM 157 CB THR A 15 5.626 5.989 -0.809 1.00 0.00 C ATOM 158 OG1 THR A 15 6.948 6.470 -1.033 1.00 0.00 O ATOM 159 CG2 THR A 15 5.236 6.584 0.546 1.00 0.00 C ATOM 0 H THR A 15 6.159 4.735 -2.802 1.00 0.00 H new ATOM 0 HA THR A 15 6.624 4.236 -0.101 1.00 0.00 H new ATOM 0 HB THR A 15 4.870 6.249 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.936 7.449 -1.081 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.136 7.665 0.453 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.287 6.158 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.007 6.353 1.280 1.00 0.00 H new ATOM 167 N LEU A 16 3.580 3.527 -0.998 1.00 0.00 N ATOM 168 CA LEU A 16 2.368 2.853 -0.563 1.00 0.00 C ATOM 169 C LEU A 16 2.673 1.374 -0.315 1.00 0.00 C ATOM 170 O LEU A 16 2.550 0.891 0.809 1.00 0.00 O ATOM 171 CB LEU A 16 1.236 3.089 -1.563 1.00 0.00 C ATOM 172 CG LEU A 16 0.857 4.549 -1.815 1.00 0.00 C ATOM 173 CD1 LEU A 16 -0.167 4.664 -2.947 1.00 0.00 C ATOM 174 CD2 LEU A 16 0.367 5.219 -0.530 1.00 0.00 C ATOM 0 H LEU A 16 3.587 3.800 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 16 2.018 3.269 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.519 2.638 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.350 2.560 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 16 1.752 5.082 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.419 5.713 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.255 4.250 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.068 4.111 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.104 6.256 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.510 4.691 -0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.157 5.188 0.220 1.00 0.00 H new ATOM 185 N ALA A 17 3.064 0.696 -1.384 1.00 0.00 N ATOM 186 CA ALA A 17 3.387 -0.717 -1.298 1.00 0.00 C ATOM 187 C ALA A 17 4.150 -0.983 0.001 1.00 0.00 C ATOM 188 O ALA A 17 4.019 -2.052 0.595 1.00 0.00 O ATOM 189 CB ALA A 17 4.181 -1.137 -2.537 1.00 0.00 C ATOM 0 H ALA A 17 3.164 1.100 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 17 2.477 -1.317 -1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.423 -2.198 -2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.584 -0.955 -3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.102 -0.557 -2.592 1.00 0.00 H new ATOM 195 N GLN A 18 4.931 0.009 0.405 1.00 0.00 N ATOM 196 CA GLN A 18 5.716 -0.105 1.622 1.00 0.00 C ATOM 197 C GLN A 18 4.796 -0.287 2.831 1.00 0.00 C ATOM 198 O GLN A 18 4.896 -1.282 3.548 1.00 0.00 O ATOM 199 CB GLN A 18 6.625 1.112 1.803 1.00 0.00 C ATOM 200 CG GLN A 18 8.035 0.825 1.283 1.00 0.00 C ATOM 201 CD GLN A 18 9.048 1.809 1.872 1.00 0.00 C ATOM 202 OE1 GLN A 18 9.636 1.582 2.916 1.00 0.00 O ATOM 203 NE2 GLN A 18 9.217 2.910 1.146 1.00 0.00 N ATOM 0 H GLN A 18 5.037 0.895 -0.089 1.00 0.00 H new ATOM 0 HA GLN A 18 6.354 -0.985 1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.205 1.966 1.272 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.671 1.383 2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.321 -0.195 1.541 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.046 0.894 0.195 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.692 3.036 0.281 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.872 3.629 1.454 1.00 0.00 H new ATOM 210 N ARG A 19 3.920 0.690 3.021 1.00 0.00 N ATOM 211 CA ARG A 19 2.983 0.650 4.131 1.00 0.00 C ATOM 212 C ARG A 19 2.132 -0.620 4.062 1.00 0.00 C ATOM 213 O ARG A 19 2.259 -1.504 4.907 1.00 0.00 O ATOM 214 CB ARG A 19 2.064 1.873 4.120 1.00 0.00 C ATOM 215 CG ARG A 19 2.473 2.875 5.201 1.00 0.00 C ATOM 216 CD ARG A 19 1.334 3.100 6.199 1.00 0.00 C ATOM 217 NE ARG A 19 0.700 4.415 5.955 1.00 0.00 N ATOM 218 CZ ARG A 19 -0.024 5.080 6.866 1.00 0.00 C ATOM 219 NH1 ARG A 19 -0.210 4.557 8.085 1.00 0.00 N ATOM 220 NH2 ARG A 19 -0.561 6.268 6.557 1.00 0.00 N ATOM 0 H ARG A 19 3.840 1.514 2.425 1.00 0.00 H new ATOM 0 HA ARG A 19 3.562 0.653 5.054 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.102 2.352 3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.033 1.559 4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.355 2.509 5.727 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.748 3.823 4.738 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.593 2.306 6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.718 3.056 7.218 1.00 0.00 H new ATOM 0 HE ARG A 19 0.822 4.842 5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.199 3.653 8.320 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.761 5.063 8.778 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.419 6.666 5.629 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.112 6.774 7.250 1.00 0.00 H new ATOM 231 N VAL A 20 1.283 -0.670 3.046 1.00 0.00 N ATOM 232 CA VAL A 20 0.411 -1.817 2.855 1.00 0.00 C ATOM 233 C VAL A 20 1.191 -3.099 3.149 1.00 0.00 C ATOM 234 O VAL A 20 0.666 -4.021 3.772 1.00 0.00 O ATOM 235 CB VAL A 20 -0.188 -1.790 1.448 1.00 0.00 C ATOM 236 CG1 VAL A 20 -1.513 -1.025 1.430 1.00 0.00 C ATOM 237 CG2 VAL A 20 0.800 -1.198 0.442 1.00 0.00 C ATOM 0 H VAL A 20 1.180 0.065 2.346 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.427 -1.780 3.551 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.391 -2.819 1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.917 -1.021 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.222 -1.509 2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.345 0.001 1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.349 -1.191 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.050 -0.178 0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.707 -1.803 0.424 1.00 0.00 H new ATOM 247 N LYS A 21 2.433 -3.118 2.685 1.00 0.00 N ATOM 248 CA LYS A 21 3.291 -4.273 2.890 1.00 0.00 C ATOM 249 C LYS A 21 3.682 -4.356 4.367 1.00 0.00 C ATOM 250 O LYS A 21 3.622 -5.428 4.968 1.00 0.00 O ATOM 251 CB LYS A 21 4.488 -4.227 1.938 1.00 0.00 C ATOM 252 CG LYS A 21 5.416 -5.421 2.166 1.00 0.00 C ATOM 253 CD LYS A 21 5.053 -6.582 1.239 1.00 0.00 C ATOM 254 CE LYS A 21 6.291 -7.411 0.887 1.00 0.00 C ATOM 255 NZ LYS A 21 5.986 -8.857 0.972 1.00 0.00 N ATOM 0 H LYS A 21 2.865 -2.352 2.168 1.00 0.00 H new ATOM 0 HA LYS A 21 2.757 -5.192 2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.137 -4.227 0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.040 -3.299 2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.449 -5.121 1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.349 -5.745 3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.310 -7.218 1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.599 -6.195 0.327 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.628 -7.163 -0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.107 -7.164 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.837 -9.374 1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.227 -9.011 1.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.679 -9.202 0.040 1.00 0.00 H new ATOM 265 N GLU A 22 4.073 -3.212 4.909 1.00 0.00 N ATOM 266 CA GLU A 22 4.474 -3.144 6.303 1.00 0.00 C ATOM 267 C GLU A 22 3.347 -3.650 7.205 1.00 0.00 C ATOM 268 O GLU A 22 3.591 -4.408 8.143 1.00 0.00 O ATOM 269 CB GLU A 22 4.884 -1.719 6.686 1.00 0.00 C ATOM 270 CG GLU A 22 4.649 -1.463 8.175 1.00 0.00 C ATOM 271 CD GLU A 22 5.403 -0.217 8.643 1.00 0.00 C ATOM 272 OE1 GLU A 22 4.988 0.887 8.228 1.00 0.00 O ATOM 273 OE2 GLU A 22 6.378 -0.396 9.405 1.00 0.00 O ATOM 0 H GLU A 22 4.120 -2.325 4.408 1.00 0.00 H new ATOM 0 HA GLU A 22 5.342 -3.788 6.443 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.936 -1.563 6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.314 -1.002 6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.582 -1.339 8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.975 -2.328 8.752 1.00 0.00 H new ATOM 278 N VAL A 23 2.137 -3.210 6.890 1.00 0.00 N ATOM 279 CA VAL A 23 0.972 -3.611 7.660 1.00 0.00 C ATOM 280 C VAL A 23 0.606 -5.055 7.311 1.00 0.00 C ATOM 281 O VAL A 23 0.219 -5.830 8.185 1.00 0.00 O ATOM 282 CB VAL A 23 -0.176 -2.628 7.420 1.00 0.00 C ATOM 283 CG1 VAL A 23 -1.412 -3.020 8.233 1.00 0.00 C ATOM 284 CG2 VAL A 23 0.255 -1.195 7.734 1.00 0.00 C ATOM 0 H VAL A 23 1.939 -2.580 6.113 1.00 0.00 H new ATOM 0 HA VAL A 23 1.191 -3.581 8.727 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.441 -2.674 6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.213 -2.305 8.044 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.739 -4.018 7.940 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.165 -3.017 9.295 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.579 -0.517 7.555 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.560 -1.127 8.778 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.092 -0.918 7.093 1.00 0.00 H new ATOM 294 N LEU A 24 0.742 -5.374 6.032 1.00 0.00 N ATOM 295 CA LEU A 24 0.430 -6.711 5.557 1.00 0.00 C ATOM 296 C LEU A 24 1.568 -7.208 4.663 1.00 0.00 C ATOM 297 O LEU A 24 1.556 -6.984 3.454 1.00 0.00 O ATOM 298 CB LEU A 24 -0.940 -6.732 4.877 1.00 0.00 C ATOM 299 CG LEU A 24 -2.076 -6.043 5.636 1.00 0.00 C ATOM 300 CD1 LEU A 24 -3.276 -5.797 4.720 1.00 0.00 C ATOM 301 CD2 LEU A 24 -2.462 -6.839 6.885 1.00 0.00 C ATOM 0 H LEU A 24 1.064 -4.729 5.310 1.00 0.00 H new ATOM 0 HA LEU A 24 0.355 -7.405 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.845 -6.261 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.222 -7.771 4.705 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.722 -5.068 5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.069 -5.306 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.974 -5.160 3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.640 -6.749 4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.271 -6.328 7.406 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.791 -7.836 6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.599 -6.920 7.546 1.00 0.00 H new ATOM 312 N PRO A 25 2.551 -7.890 5.310 1.00 0.00 N ATOM 313 CA PRO A 25 3.694 -8.421 4.587 1.00 0.00 C ATOM 314 C PRO A 25 3.307 -9.667 3.788 1.00 0.00 C ATOM 315 O PRO A 25 3.745 -9.839 2.650 1.00 0.00 O ATOM 316 CB PRO A 25 4.739 -8.701 5.654 1.00 0.00 C ATOM 317 CG PRO A 25 3.984 -8.756 6.973 1.00 0.00 C ATOM 318 CD PRO A 25 2.600 -8.174 6.742 1.00 0.00 C ATOM 0 HA PRO A 25 4.081 -7.725 3.842 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.254 -9.642 5.459 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.499 -7.920 5.671 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.911 -9.784 7.329 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.513 -8.190 7.740 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.821 -8.878 7.033 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.448 -7.269 7.331 1.00 0.00 H new ATOM 323 N HIS A 26 2.492 -10.502 4.413 1.00 0.00 N ATOM 324 CA HIS A 26 2.040 -11.726 3.773 1.00 0.00 C ATOM 325 C HIS A 26 1.740 -11.455 2.298 1.00 0.00 C ATOM 326 O HIS A 26 2.439 -11.953 1.417 1.00 0.00 O ATOM 327 CB HIS A 26 0.846 -12.322 4.522 1.00 0.00 C ATOM 328 CG HIS A 26 -0.023 -11.296 5.207 1.00 0.00 C ATOM 329 ND1 HIS A 26 0.304 -10.729 6.426 1.00 0.00 N ATOM 330 CD2 HIS A 26 -1.210 -10.739 4.830 1.00 0.00 C ATOM 331 CE1 HIS A 26 -0.650 -9.872 6.759 1.00 0.00 C ATOM 332 NE2 HIS A 26 -1.588 -9.881 5.769 1.00 0.00 N ATOM 0 H HIS A 26 2.132 -10.356 5.356 1.00 0.00 H new ATOM 0 HA HIS A 26 2.831 -12.475 3.814 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.236 -12.889 3.819 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.213 -13.028 5.267 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.138 -10.936 6.975 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.750 -10.959 3.921 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.680 -9.272 7.656 1.00 0.00 H new ATOM 339 N VAL A 27 0.700 -10.666 2.075 1.00 0.00 N ATOM 340 CA VAL A 27 0.297 -10.322 0.721 1.00 0.00 C ATOM 341 C VAL A 27 1.539 -9.973 -0.101 1.00 0.00 C ATOM 342 O VAL A 27 2.475 -9.359 0.410 1.00 0.00 O ATOM 343 CB VAL A 27 -0.735 -9.194 0.754 1.00 0.00 C ATOM 344 CG1 VAL A 27 -0.254 -8.034 1.627 1.00 0.00 C ATOM 345 CG2 VAL A 27 -1.067 -8.714 -0.661 1.00 0.00 C ATOM 0 H VAL A 27 0.123 -10.254 2.809 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.185 -11.171 0.237 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.649 -9.590 1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.007 -7.246 1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.092 -8.388 2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.680 -7.640 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.803 -7.912 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.161 -8.345 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.474 -9.543 -1.240 1.00 0.00 H new ATOM 355 N PRO A 28 1.507 -10.390 -1.396 1.00 0.00 N ATOM 356 CA PRO A 28 2.619 -10.127 -2.294 1.00 0.00 C ATOM 357 C PRO A 28 2.637 -8.661 -2.730 1.00 0.00 C ATOM 358 O PRO A 28 1.687 -7.923 -2.476 1.00 0.00 O ATOM 359 CB PRO A 28 2.422 -11.090 -3.454 1.00 0.00 C ATOM 360 CG PRO A 28 0.968 -11.526 -3.392 1.00 0.00 C ATOM 361 CD PRO A 28 0.416 -11.118 -2.035 1.00 0.00 C ATOM 0 HA PRO A 28 3.589 -10.285 -1.822 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.644 -10.606 -4.405 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.091 -11.947 -3.368 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.395 -11.059 -4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.887 -12.604 -3.529 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.470 -10.492 -2.140 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.124 -11.989 -1.448 1.00 0.00 H new ATOM 366 N LEU A 29 3.728 -8.283 -3.380 1.00 0.00 N ATOM 367 CA LEU A 29 3.882 -6.919 -3.854 1.00 0.00 C ATOM 368 C LEU A 29 3.202 -6.777 -5.216 1.00 0.00 C ATOM 369 O LEU A 29 2.476 -5.813 -5.455 1.00 0.00 O ATOM 370 CB LEU A 29 5.358 -6.517 -3.859 1.00 0.00 C ATOM 371 CG LEU A 29 6.029 -6.410 -2.487 1.00 0.00 C ATOM 372 CD1 LEU A 29 7.535 -6.662 -2.592 1.00 0.00 C ATOM 373 CD2 LEU A 29 5.717 -5.065 -1.829 1.00 0.00 C ATOM 0 H LEU A 29 4.514 -8.898 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 29 3.388 -6.223 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.910 -7.243 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.450 -5.555 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 29 5.617 -7.187 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.987 -6.580 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.710 -7.662 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.982 -5.924 -3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.205 -5.014 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.084 -4.257 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.639 -4.964 -1.700 1.00 0.00 H new ATOM 384 N GLY A 30 3.460 -7.752 -6.076 1.00 0.00 N ATOM 385 CA GLY A 30 2.881 -7.747 -7.409 1.00 0.00 C ATOM 386 C GLY A 30 1.386 -7.432 -7.356 1.00 0.00 C ATOM 387 O GLY A 30 0.867 -6.719 -8.214 1.00 0.00 O ATOM 0 H GLY A 30 4.062 -8.551 -5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.390 -7.008 -8.028 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.035 -8.718 -7.880 1.00 0.00 H new ATOM 391 N VAL A 31 0.734 -7.979 -6.341 1.00 0.00 N ATOM 392 CA VAL A 31 -0.693 -7.766 -6.165 1.00 0.00 C ATOM 393 C VAL A 31 -0.924 -6.388 -5.537 1.00 0.00 C ATOM 394 O VAL A 31 -1.781 -5.632 -5.992 1.00 0.00 O ATOM 395 CB VAL A 31 -1.295 -8.906 -5.342 1.00 0.00 C ATOM 396 CG1 VAL A 31 -1.163 -8.631 -3.843 1.00 0.00 C ATOM 397 CG2 VAL A 31 -2.756 -9.147 -5.729 1.00 0.00 C ATOM 0 H VAL A 31 1.168 -8.570 -5.631 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.203 -7.775 -7.129 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.734 -9.813 -5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.599 -9.457 -3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.109 -8.532 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.687 -7.708 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.161 -9.962 -5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.335 -8.241 -5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.814 -9.409 -6.785 1.00 0.00 H new ATOM 407 N ILE A 32 -0.145 -6.106 -4.504 1.00 0.00 N ATOM 408 CA ILE A 32 -0.254 -4.835 -3.810 1.00 0.00 C ATOM 409 C ILE A 32 -0.242 -3.697 -4.833 1.00 0.00 C ATOM 410 O ILE A 32 -1.181 -2.906 -4.896 1.00 0.00 O ATOM 411 CB ILE A 32 0.835 -4.712 -2.742 1.00 0.00 C ATOM 412 CG1 ILE A 32 0.527 -5.608 -1.540 1.00 0.00 C ATOM 413 CG2 ILE A 32 1.038 -3.252 -2.331 1.00 0.00 C ATOM 414 CD1 ILE A 32 1.796 -5.905 -0.739 1.00 0.00 C ATOM 0 H ILE A 32 0.565 -6.736 -4.131 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.202 -4.774 -3.275 1.00 0.00 H new ATOM 0 HB ILE A 32 1.775 -5.059 -3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.207 -5.122 -0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.082 -6.542 -1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.817 -3.193 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.335 -2.667 -3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.107 -2.855 -1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.550 -6.543 0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.519 -6.413 -1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.225 -4.971 -0.377 1.00 0.00 H new ATOM 425 N GLN A 33 0.831 -3.653 -5.609 1.00 0.00 N ATOM 426 CA GLN A 33 0.977 -2.625 -6.625 1.00 0.00 C ATOM 427 C GLN A 33 -0.300 -2.523 -7.464 1.00 0.00 C ATOM 428 O GLN A 33 -0.804 -1.426 -7.702 1.00 0.00 O ATOM 429 CB GLN A 33 2.194 -2.900 -7.512 1.00 0.00 C ATOM 430 CG GLN A 33 3.490 -2.502 -6.801 1.00 0.00 C ATOM 431 CD GLN A 33 4.711 -2.855 -7.652 1.00 0.00 C ATOM 432 OE1 GLN A 33 5.117 -2.121 -8.537 1.00 0.00 O ATOM 433 NE2 GLN A 33 5.272 -4.019 -7.335 1.00 0.00 N ATOM 0 H GLN A 33 1.607 -4.313 -5.555 1.00 0.00 H new ATOM 0 HA GLN A 33 1.139 -1.669 -6.127 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.228 -3.958 -7.772 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.101 -2.345 -8.445 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.482 -1.432 -6.595 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.553 -3.011 -5.839 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.881 -4.585 -6.582 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.093 -4.345 -7.845 1.00 0.00 H new ATOM 440 N ARG A 34 -0.784 -3.680 -7.889 1.00 0.00 N ATOM 441 CA ARG A 34 -1.991 -3.735 -8.695 1.00 0.00 C ATOM 442 C ARG A 34 -3.194 -3.246 -7.884 1.00 0.00 C ATOM 443 O ARG A 34 -3.866 -2.292 -8.278 1.00 0.00 O ATOM 444 CB ARG A 34 -2.262 -5.158 -9.187 1.00 0.00 C ATOM 445 CG ARG A 34 -3.380 -5.175 -10.231 1.00 0.00 C ATOM 446 CD ARG A 34 -3.175 -6.310 -11.237 1.00 0.00 C ATOM 447 NE ARG A 34 -3.083 -5.760 -12.608 1.00 0.00 N ATOM 448 CZ ARG A 34 -2.953 -6.510 -13.711 1.00 0.00 C ATOM 449 NH1 ARG A 34 -2.895 -7.845 -13.610 1.00 0.00 N ATOM 450 NH2 ARG A 34 -2.878 -5.926 -14.914 1.00 0.00 N ATOM 0 H ARG A 34 -0.362 -4.587 -7.690 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.842 -3.087 -9.558 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.352 -5.577 -9.617 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.538 -5.792 -8.344 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.343 -5.294 -9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.407 -4.220 -10.756 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.266 -6.861 -10.996 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.003 -7.017 -11.174 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.121 -4.747 -12.720 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.950 -8.290 -12.694 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.796 -8.416 -14.449 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.920 -4.910 -14.991 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.779 -6.497 -15.753 1.00 0.00 H new ATOM 461 N ASP A 35 -3.429 -3.920 -6.769 1.00 0.00 N ATOM 462 CA ASP A 35 -4.538 -3.566 -5.900 1.00 0.00 C ATOM 463 C ASP A 35 -4.565 -2.049 -5.707 1.00 0.00 C ATOM 464 O ASP A 35 -5.584 -1.405 -5.956 1.00 0.00 O ATOM 465 CB ASP A 35 -4.389 -4.216 -4.523 1.00 0.00 C ATOM 466 CG ASP A 35 -5.684 -4.330 -3.717 1.00 0.00 C ATOM 467 OD1 ASP A 35 -6.375 -5.357 -3.898 1.00 0.00 O ATOM 468 OD2 ASP A 35 -5.955 -3.390 -2.940 1.00 0.00 O ATOM 0 H ASP A 35 -2.870 -4.710 -6.447 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.458 -3.919 -6.367 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.971 -5.214 -4.653 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.667 -3.641 -3.943 1.00 0.00 H new ATOM 472 N LEU A 36 -3.433 -1.521 -5.264 1.00 0.00 N ATOM 473 CA LEU A 36 -3.313 -0.091 -5.035 1.00 0.00 C ATOM 474 C LEU A 36 -3.934 0.664 -6.213 1.00 0.00 C ATOM 475 O LEU A 36 -4.797 1.519 -6.021 1.00 0.00 O ATOM 476 CB LEU A 36 -1.857 0.288 -4.760 1.00 0.00 C ATOM 477 CG LEU A 36 -1.363 0.061 -3.329 1.00 0.00 C ATOM 478 CD1 LEU A 36 0.165 0.030 -3.276 1.00 0.00 C ATOM 479 CD2 LEU A 36 -1.949 1.105 -2.376 1.00 0.00 C ATOM 0 H LEU A 36 -2.591 -2.058 -5.058 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.867 0.199 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.220 -0.281 -5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.724 1.341 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.716 -0.915 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.490 -0.133 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.535 -0.779 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.561 0.980 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.583 0.922 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.646 2.102 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.037 1.036 -2.385 1.00 0.00 H new ATOM 490 N ALA A 37 -3.470 0.320 -7.405 1.00 0.00 N ATOM 491 CA ALA A 37 -3.967 0.955 -8.613 1.00 0.00 C ATOM 492 C ALA A 37 -5.482 1.136 -8.502 1.00 0.00 C ATOM 493 O ALA A 37 -6.029 2.125 -8.986 1.00 0.00 O ATOM 494 CB ALA A 37 -3.569 0.119 -9.831 1.00 0.00 C ATOM 0 H ALA A 37 -2.755 -0.391 -7.560 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.524 1.943 -8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.942 0.596 -10.737 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.483 0.044 -9.881 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.998 -0.879 -9.743 1.00 0.00 H new ATOM 500 N LYS A 38 -6.117 0.166 -7.860 1.00 0.00 N ATOM 501 CA LYS A 38 -7.558 0.206 -7.678 1.00 0.00 C ATOM 502 C LYS A 38 -7.923 1.392 -6.784 1.00 0.00 C ATOM 503 O LYS A 38 -8.751 2.222 -7.155 1.00 0.00 O ATOM 504 CB LYS A 38 -8.070 -1.138 -7.156 1.00 0.00 C ATOM 505 CG LYS A 38 -7.495 -2.298 -7.972 1.00 0.00 C ATOM 506 CD LYS A 38 -7.508 -1.976 -9.466 1.00 0.00 C ATOM 507 CE LYS A 38 -8.940 -1.865 -9.992 1.00 0.00 C ATOM 508 NZ LYS A 38 -9.377 -3.148 -10.585 1.00 0.00 N ATOM 0 H LYS A 38 -5.659 -0.653 -7.459 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.058 0.362 -8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.794 -1.254 -6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.159 -1.160 -7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.474 -2.503 -7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.076 -3.201 -7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.978 -1.040 -9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.975 -2.753 -10.014 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.611 -1.586 -9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.998 -1.074 -10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.351 -3.054 -10.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.747 -3.398 -11.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.341 -3.895 -9.862 1.00 0.00 H new ATOM 518 N THR A 39 -7.284 1.436 -5.624 1.00 0.00 N ATOM 519 CA THR A 39 -7.530 2.507 -4.675 1.00 0.00 C ATOM 520 C THR A 39 -6.492 3.619 -4.843 1.00 0.00 C ATOM 521 O THR A 39 -6.797 4.682 -5.381 1.00 0.00 O ATOM 522 CB THR A 39 -7.547 1.900 -3.271 1.00 0.00 C ATOM 523 OG1 THR A 39 -6.264 1.296 -3.137 1.00 0.00 O ATOM 524 CG2 THR A 39 -8.525 0.729 -3.151 1.00 0.00 C ATOM 0 H THR A 39 -6.596 0.747 -5.320 1.00 0.00 H new ATOM 0 HA THR A 39 -8.497 2.978 -4.853 1.00 0.00 H new ATOM 0 HB THR A 39 -7.812 2.670 -2.547 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.369 0.369 -2.836 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.498 0.335 -2.135 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.534 1.073 -3.380 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.241 -0.056 -3.852 1.00 0.00 H new ATOM 532 N GLY A 40 -5.287 3.334 -4.372 1.00 0.00 N ATOM 533 CA GLY A 40 -4.202 4.296 -4.464 1.00 0.00 C ATOM 534 C GLY A 40 -4.171 5.207 -3.234 1.00 0.00 C ATOM 535 O GLY A 40 -3.856 6.391 -3.343 1.00 0.00 O ATOM 0 H GLY A 40 -5.038 2.451 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.252 3.770 -4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.321 4.899 -5.364 1.00 0.00 H new ATOM 539 N CYS A 41 -4.502 4.619 -2.094 1.00 0.00 N ATOM 540 CA CYS A 41 -4.516 5.362 -0.845 1.00 0.00 C ATOM 541 C CYS A 41 -4.436 4.363 0.310 1.00 0.00 C ATOM 542 O CYS A 41 -5.380 3.612 0.553 1.00 0.00 O ATOM 543 CB CYS A 41 -5.747 6.263 -0.737 1.00 0.00 C ATOM 544 SG CYS A 41 -5.353 7.940 -1.351 1.00 0.00 S ATOM 0 H CYS A 41 -4.763 3.637 -2.009 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.655 6.029 -0.806 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.569 5.840 -1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.079 6.315 0.300 1.00 0.00 H new ATOM 0 HG CYS A 41 -4.622 7.849 -2.422 1.00 0.00 H new ATOM 549 N VAL A 42 -3.300 4.383 0.992 1.00 0.00 N ATOM 550 CA VAL A 42 -3.085 3.488 2.116 1.00 0.00 C ATOM 551 C VAL A 42 -4.372 3.392 2.939 1.00 0.00 C ATOM 552 O VAL A 42 -5.203 4.298 2.906 1.00 0.00 O ATOM 553 CB VAL A 42 -1.883 3.958 2.937 1.00 0.00 C ATOM 554 CG1 VAL A 42 -0.597 3.894 2.113 1.00 0.00 C ATOM 555 CG2 VAL A 42 -2.113 5.369 3.485 1.00 0.00 C ATOM 0 H VAL A 42 -2.518 5.006 0.787 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.848 2.484 1.765 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.771 3.282 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.242 4.234 2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.421 2.867 1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.694 4.536 1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.244 5.680 4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.263 6.061 2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.996 5.372 4.124 1.00 0.00 H new ATOM 565 N ASP A 43 -4.495 2.285 3.657 1.00 0.00 N ATOM 566 CA ASP A 43 -5.666 2.059 4.487 1.00 0.00 C ATOM 567 C ASP A 43 -6.807 1.530 3.618 1.00 0.00 C ATOM 568 O ASP A 43 -7.385 0.485 3.913 1.00 0.00 O ATOM 569 CB ASP A 43 -6.135 3.358 5.144 1.00 0.00 C ATOM 570 CG ASP A 43 -6.873 3.183 6.472 1.00 0.00 C ATOM 571 OD1 ASP A 43 -6.172 3.091 7.503 1.00 0.00 O ATOM 572 OD2 ASP A 43 -8.121 3.142 6.427 1.00 0.00 O ATOM 0 H ASP A 43 -3.804 1.536 3.681 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.397 1.341 5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.268 3.997 5.309 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.790 3.883 4.449 1.00 0.00 H new ATOM 576 N LEU A 44 -7.099 2.276 2.562 1.00 0.00 N ATOM 577 CA LEU A 44 -8.161 1.894 1.647 1.00 0.00 C ATOM 578 C LEU A 44 -7.877 0.494 1.096 1.00 0.00 C ATOM 579 O LEU A 44 -8.801 -0.282 0.860 1.00 0.00 O ATOM 580 CB LEU A 44 -8.341 2.957 0.561 1.00 0.00 C ATOM 581 CG LEU A 44 -9.724 3.606 0.481 1.00 0.00 C ATOM 582 CD1 LEU A 44 -10.019 4.426 1.739 1.00 0.00 C ATOM 583 CD2 LEU A 44 -9.864 4.443 -0.792 1.00 0.00 C ATOM 0 H LEU A 44 -6.619 3.143 2.320 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.115 1.842 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.602 3.742 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.118 2.503 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.470 2.813 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.008 4.876 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.989 3.775 2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.271 5.211 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.856 4.893 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.109 5.229 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.727 3.804 -1.664 1.00 0.00 H new ATOM 594 N THR A 45 -6.596 0.217 0.908 1.00 0.00 N ATOM 595 CA THR A 45 -6.178 -1.074 0.390 1.00 0.00 C ATOM 596 C THR A 45 -6.422 -2.171 1.429 1.00 0.00 C ATOM 597 O THR A 45 -7.032 -3.195 1.124 1.00 0.00 O ATOM 598 CB THR A 45 -4.714 -0.961 -0.040 1.00 0.00 C ATOM 599 OG1 THR A 45 -4.766 -0.215 -1.254 1.00 0.00 O ATOM 600 CG2 THR A 45 -4.120 -2.308 -0.456 1.00 0.00 C ATOM 0 H THR A 45 -5.833 0.865 1.105 1.00 0.00 H new ATOM 0 HA THR A 45 -6.767 -1.358 -0.482 1.00 0.00 H new ATOM 0 HB THR A 45 -4.127 -0.543 0.777 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.386 -0.749 -1.983 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.080 -2.171 -0.752 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.171 -3.002 0.383 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.686 -2.711 -1.296 1.00 0.00 H new ATOM 608 N ILE A 46 -5.935 -1.918 2.634 1.00 0.00 N ATOM 609 CA ILE A 46 -6.093 -2.870 3.721 1.00 0.00 C ATOM 610 C ILE A 46 -7.526 -3.404 3.720 1.00 0.00 C ATOM 611 O ILE A 46 -7.756 -4.578 3.432 1.00 0.00 O ATOM 612 CB ILE A 46 -5.671 -2.243 5.050 1.00 0.00 C ATOM 613 CG1 ILE A 46 -4.148 -2.255 5.205 1.00 0.00 C ATOM 614 CG2 ILE A 46 -6.372 -2.924 6.226 1.00 0.00 C ATOM 615 CD1 ILE A 46 -3.568 -0.850 5.036 1.00 0.00 C ATOM 0 H ILE A 46 -5.430 -1.067 2.882 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.433 -3.725 3.577 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.986 -1.199 5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.882 -2.646 6.187 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.709 -2.925 4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.053 -2.458 7.159 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.451 -2.818 6.117 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.112 -3.982 6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.485 -0.887 5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.815 -0.471 4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.991 -0.189 5.792 1.00 0.00 H new ATOM 626 N THR A 47 -8.455 -2.517 4.047 1.00 0.00 N ATOM 627 CA THR A 47 -9.860 -2.884 4.088 1.00 0.00 C ATOM 628 C THR A 47 -10.256 -3.620 2.807 1.00 0.00 C ATOM 629 O THR A 47 -10.824 -4.710 2.862 1.00 0.00 O ATOM 630 CB THR A 47 -10.673 -1.613 4.336 1.00 0.00 C ATOM 631 OG1 THR A 47 -10.427 -1.304 5.705 1.00 0.00 O ATOM 632 CG2 THR A 47 -12.182 -1.862 4.276 1.00 0.00 C ATOM 0 H THR A 47 -8.261 -1.544 4.286 1.00 0.00 H new ATOM 0 HA THR A 47 -10.064 -3.581 4.901 1.00 0.00 H new ATOM 0 HB THR A 47 -10.400 -0.858 3.599 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.916 -0.491 5.950 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.713 -0.928 4.459 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.449 -2.244 3.291 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.461 -2.592 5.036 1.00 0.00 H new ATOM 640 N ASN A 48 -9.943 -2.994 1.682 1.00 0.00 N ATOM 641 CA ASN A 48 -10.260 -3.576 0.388 1.00 0.00 C ATOM 642 C ASN A 48 -9.790 -5.032 0.360 1.00 0.00 C ATOM 643 O ASN A 48 -10.479 -5.899 -0.175 1.00 0.00 O ATOM 644 CB ASN A 48 -9.547 -2.828 -0.741 1.00 0.00 C ATOM 645 CG ASN A 48 -9.615 -3.617 -2.050 1.00 0.00 C ATOM 646 OD1 ASN A 48 -10.406 -4.533 -2.212 1.00 0.00 O ATOM 647 ND2 ASN A 48 -8.746 -3.214 -2.971 1.00 0.00 N ATOM 0 H ASN A 48 -9.473 -2.090 1.639 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.338 -3.508 0.242 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.004 -1.848 -0.879 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.505 -2.658 -0.468 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.713 -3.678 -3.879 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.112 -2.441 -2.770 1.00 0.00 H new ATOM 653 N LEU A 49 -8.622 -5.255 0.944 1.00 0.00 N ATOM 654 CA LEU A 49 -8.053 -6.592 0.992 1.00 0.00 C ATOM 655 C LEU A 49 -9.055 -7.544 1.647 1.00 0.00 C ATOM 656 O LEU A 49 -9.140 -8.713 1.275 1.00 0.00 O ATOM 657 CB LEU A 49 -6.687 -6.567 1.681 1.00 0.00 C ATOM 658 CG LEU A 49 -5.520 -7.142 0.874 1.00 0.00 C ATOM 659 CD1 LEU A 49 -4.204 -7.001 1.641 1.00 0.00 C ATOM 660 CD2 LEU A 49 -5.795 -8.592 0.469 1.00 0.00 C ATOM 0 H LEU A 49 -8.054 -4.533 1.388 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.870 -6.966 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.451 -5.535 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.764 -7.120 2.617 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.422 -6.565 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.390 -7.417 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.008 -5.947 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.274 -7.539 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.951 -8.976 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.934 -9.199 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.697 -8.634 -0.142 1.00 0.00 H new ATOM 671 N LEU A 50 -9.788 -7.008 2.613 1.00 0.00 N ATOM 672 CA LEU A 50 -10.781 -7.797 3.323 1.00 0.00 C ATOM 673 C LEU A 50 -12.144 -7.611 2.656 1.00 0.00 C ATOM 674 O LEU A 50 -12.681 -8.546 2.061 1.00 0.00 O ATOM 675 CB LEU A 50 -10.772 -7.451 4.813 1.00 0.00 C ATOM 676 CG LEU A 50 -12.106 -7.610 5.547 1.00 0.00 C ATOM 677 CD1 LEU A 50 -12.569 -9.068 5.532 1.00 0.00 C ATOM 678 CD2 LEU A 50 -12.021 -7.049 6.968 1.00 0.00 C ATOM 0 H LEU A 50 -9.714 -6.038 2.920 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.540 -8.858 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.031 -8.079 5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.440 -6.419 4.924 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.859 -7.028 5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.519 -9.154 6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.696 -9.399 4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.823 -9.692 6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.982 -7.175 7.467 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.251 -7.583 7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.770 -5.989 6.926 1.00 0.00 H new ATOM 689 N GLU A 51 -12.668 -6.400 2.777 1.00 0.00 N ATOM 690 CA GLU A 51 -13.959 -6.081 2.194 1.00 0.00 C ATOM 691 C GLU A 51 -13.888 -6.167 0.668 1.00 0.00 C ATOM 692 O GLU A 51 -14.074 -7.239 0.094 1.00 0.00 O ATOM 693 CB GLU A 51 -14.438 -4.699 2.643 1.00 0.00 C ATOM 694 CG GLU A 51 -15.382 -4.808 3.842 1.00 0.00 C ATOM 695 CD GLU A 51 -16.838 -4.613 3.413 1.00 0.00 C ATOM 696 OE1 GLU A 51 -17.066 -3.713 2.576 1.00 0.00 O ATOM 697 OE2 GLU A 51 -17.688 -5.367 3.931 1.00 0.00 O ATOM 0 H GLU A 51 -12.221 -5.628 3.271 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.685 -6.813 2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.580 -4.081 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.948 -4.201 1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.266 -5.784 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.116 -4.060 4.588 1.00 0.00 H new ATOM 702 N GLY A 52 -13.620 -5.024 0.054 1.00 0.00 N ATOM 703 CA GLY A 52 -13.522 -4.957 -1.393 1.00 0.00 C ATOM 704 C GLY A 52 -13.318 -3.515 -1.864 1.00 0.00 C ATOM 705 O GLY A 52 -12.205 -2.993 -1.811 1.00 0.00 O ATOM 0 H GLY A 52 -13.468 -4.137 0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.691 -5.575 -1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.428 -5.365 -1.841 1.00 0.00 H new ATOM 709 N ALA A 53 -14.409 -2.912 -2.311 1.00 0.00 N ATOM 710 CA ALA A 53 -14.363 -1.541 -2.790 1.00 0.00 C ATOM 711 C ALA A 53 -13.296 -1.420 -3.878 1.00 0.00 C ATOM 712 O ALA A 53 -12.294 -0.730 -3.696 1.00 0.00 O ATOM 713 CB ALA A 53 -14.107 -0.598 -1.613 1.00 0.00 C ATOM 0 H ALA A 53 -15.330 -3.347 -2.352 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.317 -1.257 -3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.072 0.431 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.910 -0.701 -0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.156 -0.851 -1.144 1.00 0.00 H new ATOM 719 N VAL A 54 -13.545 -2.102 -4.986 1.00 0.00 N ATOM 720 CA VAL A 54 -12.616 -2.080 -6.103 1.00 0.00 C ATOM 721 C VAL A 54 -13.358 -1.645 -7.369 1.00 0.00 C ATOM 722 O VAL A 54 -14.564 -1.856 -7.489 1.00 0.00 O ATOM 723 CB VAL A 54 -11.938 -3.445 -6.248 1.00 0.00 C ATOM 724 CG1 VAL A 54 -11.092 -3.504 -7.522 1.00 0.00 C ATOM 725 CG2 VAL A 54 -11.096 -3.772 -5.014 1.00 0.00 C ATOM 0 H VAL A 54 -14.377 -2.673 -5.134 1.00 0.00 H new ATOM 0 HA VAL A 54 -11.822 -1.355 -5.925 1.00 0.00 H new ATOM 0 HB VAL A 54 -12.719 -4.201 -6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.621 -4.484 -7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -11.729 -3.336 -8.390 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.322 -2.734 -7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.625 -4.747 -5.143 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.326 -3.011 -4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -11.736 -3.792 -4.132 1.00 0.00 H new ATOM 735 N ALA A 55 -12.607 -1.042 -8.279 1.00 0.00 N ATOM 736 CA ALA A 55 -13.178 -0.574 -9.530 1.00 0.00 C ATOM 737 C ALA A 55 -12.087 0.102 -10.363 1.00 0.00 C ATOM 738 O ALA A 55 -11.172 0.714 -9.814 1.00 0.00 O ATOM 739 CB ALA A 55 -14.352 0.362 -9.237 1.00 0.00 C ATOM 0 H ALA A 55 -11.608 -0.867 -8.175 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.565 -1.411 -10.111 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.780 0.713 -10.176 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.112 -0.175 -8.669 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.001 1.215 -8.657 1.00 0.00 H new ATOM 745 N PHE A 56 -12.220 -0.032 -11.675 1.00 0.00 N ATOM 746 CA PHE A 56 -11.257 0.558 -12.588 1.00 0.00 C ATOM 747 C PHE A 56 -11.407 2.079 -12.636 1.00 0.00 C ATOM 748 O PHE A 56 -12.499 2.606 -12.421 1.00 0.00 O ATOM 749 CB PHE A 56 -11.548 -0.016 -13.976 1.00 0.00 C ATOM 750 CG PHE A 56 -12.878 0.447 -14.575 1.00 0.00 C ATOM 751 CD1 PHE A 56 -12.966 1.666 -15.173 1.00 0.00 C ATOM 752 CD2 PHE A 56 -13.970 -0.360 -14.511 1.00 0.00 C ATOM 753 CE1 PHE A 56 -14.200 2.096 -15.728 1.00 0.00 C ATOM 754 CE2 PHE A 56 -15.204 0.070 -15.066 1.00 0.00 C ATOM 755 CZ PHE A 56 -15.293 1.289 -15.663 1.00 0.00 C ATOM 0 H PHE A 56 -12.980 -0.541 -12.127 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.243 0.331 -12.258 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.740 0.265 -14.651 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -11.548 -1.104 -13.915 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -12.098 2.306 -15.225 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -13.899 -1.328 -14.038 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -14.271 3.064 -16.202 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -16.072 -0.571 -15.014 1.00 0.00 H new ATOM 0 HZ PHE A 56 -16.232 1.616 -16.085 1.00 0.00 H new ATOM 764 N MET A 57 -10.297 2.744 -12.921 1.00 0.00 N ATOM 765 CA MET A 57 -10.292 4.194 -13.001 1.00 0.00 C ATOM 766 C MET A 57 -10.640 4.668 -14.413 1.00 0.00 C ATOM 767 O MET A 57 -10.390 3.960 -15.388 1.00 0.00 O ATOM 768 CB MET A 57 -8.910 4.722 -12.612 1.00 0.00 C ATOM 769 CG MET A 57 -7.814 4.060 -13.450 1.00 0.00 C ATOM 770 SD MET A 57 -6.734 5.305 -14.136 1.00 0.00 S ATOM 771 CE MET A 57 -5.245 4.343 -14.345 1.00 0.00 C ATOM 0 H MET A 57 -9.394 2.304 -13.099 1.00 0.00 H new ATOM 0 HA MET A 57 -11.045 4.579 -12.313 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.877 5.802 -12.752 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.729 4.532 -11.554 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.240 3.369 -12.833 1.00 0.00 H new ATOM 0 HG3 MET A 57 -8.262 3.474 -14.252 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.462 4.972 -14.767 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.921 3.960 -13.378 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.442 3.509 -15.018 1.00 0.00 H new ATOM 779 N PRO A 58 -11.228 5.892 -14.480 1.00 0.00 N ATOM 780 CA PRO A 58 -11.614 6.468 -15.756 1.00 0.00 C ATOM 781 C PRO A 58 -10.390 6.975 -16.522 1.00 0.00 C ATOM 782 O PRO A 58 -9.348 7.244 -15.925 1.00 0.00 O ATOM 783 CB PRO A 58 -12.597 7.574 -15.409 1.00 0.00 C ATOM 784 CG PRO A 58 -12.372 7.883 -13.938 1.00 0.00 C ATOM 785 CD PRO A 58 -11.541 6.757 -13.346 1.00 0.00 C ATOM 0 HA PRO A 58 -12.075 5.739 -16.423 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.425 8.457 -16.025 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.624 7.255 -15.589 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.858 8.837 -13.823 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -13.325 7.969 -13.416 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.634 7.139 -12.877 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.095 6.218 -12.578 1.00 0.00 H new ATOM 790 N GLU A 59 -10.556 7.091 -17.831 1.00 0.00 N ATOM 791 CA GLU A 59 -9.477 7.561 -18.684 1.00 0.00 C ATOM 792 C GLU A 59 -8.230 6.696 -18.487 1.00 0.00 C ATOM 793 O GLU A 59 -8.154 5.916 -17.540 1.00 0.00 O ATOM 794 CB GLU A 59 -9.170 9.036 -18.417 1.00 0.00 C ATOM 795 CG GLU A 59 -8.741 9.748 -19.700 1.00 0.00 C ATOM 796 CD GLU A 59 -7.491 10.597 -19.465 1.00 0.00 C ATOM 797 OE1 GLU A 59 -7.652 11.702 -18.903 1.00 0.00 O ATOM 798 OE2 GLU A 59 -6.402 10.122 -19.853 1.00 0.00 O ATOM 0 H GLU A 59 -11.422 6.868 -18.322 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.796 7.473 -19.723 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.052 9.525 -18.003 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.380 9.117 -17.670 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.544 9.012 -20.480 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.553 10.381 -20.057 1.00 0.00 H new ATOM 803 N ASP A 60 -7.284 6.865 -19.399 1.00 0.00 N ATOM 804 CA ASP A 60 -6.043 6.110 -19.338 1.00 0.00 C ATOM 805 C ASP A 60 -5.394 6.091 -20.723 1.00 0.00 C ATOM 806 O ASP A 60 -6.059 5.819 -21.721 1.00 0.00 O ATOM 807 CB ASP A 60 -6.300 4.662 -18.917 1.00 0.00 C ATOM 808 CG ASP A 60 -5.223 3.663 -19.345 1.00 0.00 C ATOM 809 OD1 ASP A 60 -5.237 3.292 -20.539 1.00 0.00 O ATOM 810 OD2 ASP A 60 -4.412 3.293 -18.469 1.00 0.00 O ATOM 0 H ASP A 60 -7.351 7.513 -20.184 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.393 6.589 -18.606 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.396 4.627 -17.832 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.256 4.343 -19.332 1.00 0.00 H new ATOM 814 N ILE A 61 -4.102 6.385 -20.740 1.00 0.00 N ATOM 815 CA ILE A 61 -3.355 6.405 -21.985 1.00 0.00 C ATOM 816 C ILE A 61 -2.804 5.006 -22.268 1.00 0.00 C ATOM 817 O ILE A 61 -2.330 4.733 -23.370 1.00 0.00 O ATOM 818 CB ILE A 61 -2.280 7.493 -21.948 1.00 0.00 C ATOM 819 CG1 ILE A 61 -1.225 7.185 -20.883 1.00 0.00 C ATOM 820 CG2 ILE A 61 -2.905 8.876 -21.752 1.00 0.00 C ATOM 821 CD1 ILE A 61 0.173 7.574 -21.368 1.00 0.00 C ATOM 0 H ILE A 61 -3.554 6.611 -19.910 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.010 6.664 -22.817 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.772 7.503 -22.912 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.460 7.726 -19.966 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.247 6.123 -20.640 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.119 9.631 -21.729 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.587 9.087 -22.576 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.455 8.897 -20.811 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.904 7.345 -20.593 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.414 7.013 -22.271 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.198 8.642 -21.586 1.00 0.00 H new TER 832 ILE A 61