USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 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 60 TYR OH : rot 34:sc= -0.327 USER MOD Set 1.2: A 70 SER OG : rot 18:sc= 0.0403 USER MOD Set 2.1: A 57 LYS NZ :NH3+ 154:sc= 0.0102 (180deg=0) USER MOD Set 2.2: A 74 GLN : amide:sc= 1.12 K(o=1.1,f=-0.56) USER MOD Set 3.1: A 33 GLN : amide:sc= -3.3 X(o=-2.7,f=-3.1!) USER MOD Set 3.2: A 49 SER OG : rot 35:sc= 0.603 USER MOD Single : A 1 MET CE :methyl 151:sc= -0.293 (180deg=-1.47!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0652 (180deg=-0.43) USER MOD Single : A 28 MET CE :methyl -157:sc= -0.0838 (180deg=-0.875) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 152:sc= -0.197 (180deg=-1.28!) USER MOD Single : A 40 THR OG1 : rot -120:sc= -1.57 USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= -0.0587 (180deg=-0.67) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= -0.0615 (180deg=-0.502) USER MOD Single : A 54 LYS NZ :NH3+ 160:sc= -0.065 (180deg=-0.569) USER MOD Single : A 64 GLN : amide:sc= -0.136 K(o=-0.14,f=-9!) USER MOD Single : A 71 THR OG1 : rot -150:sc= -0.0656 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.751 0.706 -10.887 1.00 0.00 N ATOM 2 CA MET A 1 70.475 0.094 -10.426 1.00 0.00 C ATOM 3 C MET A 1 70.715 -1.361 -10.043 1.00 0.00 C ATOM 4 O MET A 1 70.363 -2.273 -10.789 1.00 0.00 O ATOM 5 CB MET A 1 69.437 0.165 -11.549 1.00 0.00 C ATOM 6 CG MET A 1 68.087 -0.340 -11.035 1.00 0.00 C ATOM 7 SD MET A 1 66.850 -0.189 -12.350 1.00 0.00 S ATOM 8 CE MET A 1 67.593 -1.373 -13.503 1.00 0.00 C ATOM 0 H1 MET A 1 71.585 1.699 -11.148 1.00 0.00 H new ATOM 0 H2 MET A 1 72.454 0.662 -10.122 1.00 0.00 H new ATOM 0 H3 MET A 1 72.107 0.185 -11.714 1.00 0.00 H new ATOM 0 HA MET A 1 70.106 0.639 -9.558 1.00 0.00 H new ATOM 0 HB2 MET A 1 69.341 1.191 -11.905 1.00 0.00 H new ATOM 0 HB3 MET A 1 69.763 -0.437 -12.397 1.00 0.00 H new ATOM 0 HG2 MET A 1 68.172 -1.379 -10.717 1.00 0.00 H new ATOM 0 HG3 MET A 1 67.779 0.236 -10.162 1.00 0.00 H new ATOM 0 HE1 MET A 1 66.811 -1.827 -14.112 1.00 0.00 H new ATOM 0 HE2 MET A 1 68.302 -0.855 -14.150 1.00 0.00 H new ATOM 0 HE3 MET A 1 68.113 -2.149 -12.942 1.00 0.00 H new ATOM 20 N TYR A 2 71.318 -1.575 -8.877 1.00 0.00 N ATOM 21 CA TYR A 2 71.597 -2.931 -8.414 1.00 0.00 C ATOM 22 C TYR A 2 70.314 -3.569 -7.886 1.00 0.00 C ATOM 23 O TYR A 2 69.485 -2.896 -7.270 1.00 0.00 O ATOM 24 CB TYR A 2 72.668 -2.908 -7.306 1.00 0.00 C ATOM 25 CG TYR A 2 73.381 -4.252 -7.232 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.729 -5.372 -6.695 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.696 -4.383 -7.715 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.385 -6.609 -6.640 1.00 0.00 C ATOM 29 CE2 TYR A 2 75.350 -5.620 -7.657 1.00 0.00 C ATOM 30 CZ TYR A 2 74.694 -6.734 -7.120 1.00 0.00 C ATOM 31 OH TYR A 2 75.332 -7.957 -7.067 1.00 0.00 O ATOM 0 H TYR A 2 71.620 -0.836 -8.242 1.00 0.00 H new ATOM 0 HA TYR A 2 71.973 -3.520 -9.251 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.390 -2.116 -7.505 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.203 -2.682 -6.346 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.719 -5.281 -6.323 1.00 0.00 H new ATOM 0 HD2 TYR A 2 75.203 -3.526 -8.132 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.879 -7.469 -6.226 1.00 0.00 H new ATOM 0 HE2 TYR A 2 76.360 -5.715 -8.027 1.00 0.00 H new ATOM 0 HH TYR A 2 76.234 -7.872 -7.441 1.00 0.00 H new ATOM 41 N GLU A 3 70.154 -4.868 -8.128 1.00 0.00 N ATOM 42 CA GLU A 3 68.965 -5.600 -7.669 1.00 0.00 C ATOM 43 C GLU A 3 69.372 -6.725 -6.726 1.00 0.00 C ATOM 44 O GLU A 3 70.334 -7.447 -6.985 1.00 0.00 O ATOM 45 CB GLU A 3 68.193 -6.185 -8.859 1.00 0.00 C ATOM 46 CG GLU A 3 67.521 -5.054 -9.646 1.00 0.00 C ATOM 47 CD GLU A 3 66.739 -5.631 -10.823 1.00 0.00 C ATOM 48 OE1 GLU A 3 67.346 -5.856 -11.858 1.00 0.00 O ATOM 49 OE2 GLU A 3 65.544 -5.829 -10.675 1.00 0.00 O ATOM 0 H GLU A 3 70.828 -5.439 -8.638 1.00 0.00 H new ATOM 0 HA GLU A 3 68.319 -4.899 -7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.871 -6.739 -9.508 1.00 0.00 H new ATOM 0 HB3 GLU A 3 67.442 -6.891 -8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.851 -4.494 -8.994 1.00 0.00 H new ATOM 0 HG3 GLU A 3 68.274 -4.354 -10.007 1.00 0.00 H new ATOM 56 N PHE A 4 68.623 -6.871 -5.631 1.00 0.00 N ATOM 57 CA PHE A 4 68.900 -7.921 -4.637 1.00 0.00 C ATOM 58 C PHE A 4 67.886 -9.053 -4.787 1.00 0.00 C ATOM 59 O PHE A 4 66.681 -8.841 -4.648 1.00 0.00 O ATOM 60 CB PHE A 4 68.853 -7.302 -3.217 1.00 0.00 C ATOM 61 CG PHE A 4 68.506 -8.321 -2.131 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.090 -9.601 -2.110 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.589 -7.964 -1.129 1.00 0.00 C ATOM 64 CE1 PHE A 4 68.753 -10.510 -1.094 1.00 0.00 C ATOM 65 CE2 PHE A 4 67.254 -8.871 -0.122 1.00 0.00 C ATOM 66 CZ PHE A 4 67.834 -10.144 -0.101 1.00 0.00 C ATOM 0 H PHE A 4 67.822 -6.280 -5.407 1.00 0.00 H new ATOM 0 HA PHE A 4 69.894 -8.339 -4.798 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.820 -6.853 -2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 4 68.117 -6.498 -3.201 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.797 -9.884 -2.875 1.00 0.00 H new ATOM 0 HD2 PHE A 4 67.140 -6.982 -1.138 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.202 -11.492 -1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.545 -8.589 0.643 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.574 -10.844 0.679 1.00 0.00 H new ATOM 76 N LYS A 5 68.384 -10.250 -5.101 1.00 0.00 N ATOM 77 CA LYS A 5 67.522 -11.421 -5.296 1.00 0.00 C ATOM 78 C LYS A 5 67.860 -12.505 -4.280 1.00 0.00 C ATOM 79 O LYS A 5 69.028 -12.807 -4.044 1.00 0.00 O ATOM 80 CB LYS A 5 67.702 -11.972 -6.716 1.00 0.00 C ATOM 81 CG LYS A 5 66.509 -12.867 -7.078 1.00 0.00 C ATOM 82 CD LYS A 5 66.616 -13.354 -8.532 1.00 0.00 C ATOM 83 CE LYS A 5 66.236 -12.229 -9.506 1.00 0.00 C ATOM 84 NZ LYS A 5 66.024 -12.803 -10.864 1.00 0.00 N ATOM 0 H LYS A 5 69.379 -10.436 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 5 66.485 -11.116 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.782 -11.150 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 5 68.629 -12.541 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 5 66.473 -13.723 -6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 5 65.579 -12.315 -6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.633 -13.691 -8.735 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.960 -14.211 -8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 5 65.330 -11.728 -9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 5 67.024 -11.477 -9.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 65.766 -12.043 -11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 66.899 -13.262 -11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 65.258 -13.505 -10.828 1.00 0.00 H new ATOM 98 N LEU A 6 66.828 -13.086 -3.683 1.00 0.00 N ATOM 99 CA LEU A 6 67.040 -14.140 -2.693 1.00 0.00 C ATOM 100 C LEU A 6 67.631 -15.374 -3.387 1.00 0.00 C ATOM 101 O LEU A 6 67.058 -15.851 -4.367 1.00 0.00 O ATOM 102 CB LEU A 6 65.710 -14.525 -2.014 1.00 0.00 C ATOM 103 CG LEU A 6 65.960 -15.487 -0.832 1.00 0.00 C ATOM 104 CD1 LEU A 6 66.350 -14.693 0.420 1.00 0.00 C ATOM 105 CD2 LEU A 6 64.681 -16.279 -0.534 1.00 0.00 C ATOM 0 H LEU A 6 65.851 -12.853 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 6 67.728 -13.772 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 6 65.204 -13.627 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 6 65.048 -14.997 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 6 66.768 -16.168 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 6 66.524 -15.381 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 6 67.259 -14.126 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 6 65.544 -14.007 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 6 64.859 -16.957 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 6 63.878 -15.589 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 6 64.396 -16.854 -1.415 1.00 0.00 H new ATOM 117 N PRO A 7 68.750 -15.907 -2.935 1.00 0.00 N ATOM 118 CA PRO A 7 69.358 -17.099 -3.592 1.00 0.00 C ATOM 119 C PRO A 7 68.541 -18.368 -3.355 1.00 0.00 C ATOM 120 O PRO A 7 67.891 -18.521 -2.320 1.00 0.00 O ATOM 121 CB PRO A 7 70.753 -17.187 -2.963 1.00 0.00 C ATOM 122 CG PRO A 7 70.603 -16.563 -1.616 1.00 0.00 C ATOM 123 CD PRO A 7 69.548 -15.461 -1.774 1.00 0.00 C ATOM 0 HA PRO A 7 69.393 -17.004 -4.677 1.00 0.00 H new ATOM 0 HB2 PRO A 7 71.087 -18.222 -2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.492 -16.658 -3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 7 70.289 -17.301 -0.877 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.550 -16.149 -1.270 1.00 0.00 H new ATOM 0 HD2 PRO A 7 68.933 -15.363 -0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 7 70.007 -14.489 -1.953 1.00 0.00 H new ATOM 131 N ASP A 8 68.579 -19.267 -4.331 1.00 0.00 N ATOM 132 CA ASP A 8 67.843 -20.521 -4.240 1.00 0.00 C ATOM 133 C ASP A 8 68.595 -21.511 -3.349 1.00 0.00 C ATOM 134 O ASP A 8 69.682 -21.972 -3.705 1.00 0.00 O ATOM 135 CB ASP A 8 67.665 -21.107 -5.643 1.00 0.00 C ATOM 136 CG ASP A 8 66.782 -20.180 -6.471 1.00 0.00 C ATOM 137 OD1 ASP A 8 66.050 -19.409 -5.874 1.00 0.00 O ATOM 138 OD2 ASP A 8 66.848 -20.254 -7.685 1.00 0.00 O ATOM 0 H ASP A 8 69.111 -19.151 -5.193 1.00 0.00 H new ATOM 0 HA ASP A 8 66.864 -20.333 -3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 8 68.635 -21.228 -6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 8 67.214 -22.097 -5.581 1.00 0.00 H new ATOM 143 N ILE A 9 68.024 -21.822 -2.180 1.00 0.00 N ATOM 144 CA ILE A 9 68.660 -22.745 -1.234 1.00 0.00 C ATOM 145 C ILE A 9 67.699 -23.870 -0.853 1.00 0.00 C ATOM 146 O ILE A 9 66.480 -23.723 -0.964 1.00 0.00 O ATOM 147 CB ILE A 9 69.098 -21.982 0.024 1.00 0.00 C ATOM 148 CG1 ILE A 9 67.874 -21.343 0.709 1.00 0.00 C ATOM 149 CG2 ILE A 9 70.094 -20.883 -0.364 1.00 0.00 C ATOM 150 CD1 ILE A 9 68.313 -20.678 2.020 1.00 0.00 C ATOM 0 H ILE A 9 67.127 -21.450 -1.868 1.00 0.00 H new ATOM 0 HA ILE A 9 69.536 -23.184 -1.712 1.00 0.00 H new ATOM 0 HB ILE A 9 69.571 -22.680 0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 9 67.418 -20.605 0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 9 67.118 -22.102 0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 9 70.405 -20.342 0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 9 70.967 -21.333 -0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 9 69.620 -20.192 -1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 9 67.448 -20.226 2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.749 -21.428 2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 9 69.054 -19.907 1.807 1.00 0.00 H new ATOM 162 N GLY A 10 68.255 -24.991 -0.402 1.00 0.00 N ATOM 163 CA GLY A 10 67.436 -26.134 -0.009 1.00 0.00 C ATOM 164 C GLY A 10 67.001 -26.939 -1.227 1.00 0.00 C ATOM 165 O GLY A 10 67.518 -26.746 -2.327 1.00 0.00 O ATOM 0 H GLY A 10 69.260 -25.132 -0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 10 67.999 -26.773 0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 10 66.557 -25.787 0.534 1.00 0.00 H new ATOM 169 N GLU A 11 66.051 -27.848 -1.025 1.00 0.00 N ATOM 170 CA GLU A 11 65.566 -28.681 -2.119 1.00 0.00 C ATOM 171 C GLU A 11 64.649 -27.879 -3.038 1.00 0.00 C ATOM 172 O GLU A 11 65.116 -27.109 -3.879 1.00 0.00 O ATOM 173 CB GLU A 11 64.800 -29.880 -1.555 1.00 0.00 C ATOM 174 CG GLU A 11 65.770 -30.809 -0.820 1.00 0.00 C ATOM 175 CD GLU A 11 65.003 -31.962 -0.184 1.00 0.00 C ATOM 176 OE1 GLU A 11 63.803 -32.029 -0.389 1.00 0.00 O ATOM 177 OE2 GLU A 11 65.626 -32.765 0.491 1.00 0.00 O ATOM 0 H GLU A 11 65.606 -28.025 -0.124 1.00 0.00 H new ATOM 0 HA GLU A 11 66.423 -29.030 -2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 11 64.021 -29.539 -0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 11 64.304 -30.420 -2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 11 66.514 -31.196 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 11 66.309 -30.253 -0.053 1.00 0.00 H new ATOM 184 N GLY A 12 63.342 -28.072 -2.874 1.00 0.00 N ATOM 185 CA GLY A 12 62.353 -27.371 -3.691 1.00 0.00 C ATOM 186 C GLY A 12 61.861 -26.112 -2.988 1.00 0.00 C ATOM 187 O GLY A 12 61.346 -26.174 -1.872 1.00 0.00 O ATOM 0 H GLY A 12 62.943 -28.708 -2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 12 62.792 -27.107 -4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 12 61.510 -28.031 -3.895 1.00 0.00 H new ATOM 191 N VAL A 13 62.012 -24.967 -3.651 1.00 0.00 N ATOM 192 CA VAL A 13 61.564 -23.689 -3.086 1.00 0.00 C ATOM 193 C VAL A 13 60.733 -22.942 -4.126 1.00 0.00 C ATOM 194 O VAL A 13 61.141 -22.824 -5.281 1.00 0.00 O ATOM 195 CB VAL A 13 62.778 -22.848 -2.663 1.00 0.00 C ATOM 196 CG1 VAL A 13 62.337 -21.434 -2.279 1.00 0.00 C ATOM 197 CG2 VAL A 13 63.460 -23.502 -1.456 1.00 0.00 C ATOM 0 H VAL A 13 62.438 -24.894 -4.575 1.00 0.00 H new ATOM 0 HA VAL A 13 60.950 -23.874 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 13 63.473 -22.793 -3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 13 63.208 -20.850 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 13 61.855 -20.958 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 13 61.633 -21.485 -1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 13 64.321 -22.905 -1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 13 62.754 -23.562 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 13 63.790 -24.506 -1.724 1.00 0.00 H new ATOM 207 N THR A 14 59.559 -22.455 -3.726 1.00 0.00 N ATOM 208 CA THR A 14 58.684 -21.738 -4.655 1.00 0.00 C ATOM 209 C THR A 14 57.872 -20.673 -3.924 1.00 0.00 C ATOM 210 O THR A 14 56.996 -20.036 -4.506 1.00 0.00 O ATOM 211 CB THR A 14 57.732 -22.732 -5.320 1.00 0.00 C ATOM 212 OG1 THR A 14 56.984 -23.398 -4.313 1.00 0.00 O ATOM 213 CG2 THR A 14 58.533 -23.756 -6.124 1.00 0.00 C ATOM 0 H THR A 14 59.194 -22.542 -2.777 1.00 0.00 H new ATOM 0 HA THR A 14 59.302 -21.248 -5.407 1.00 0.00 H new ATOM 0 HB THR A 14 57.058 -22.201 -5.992 1.00 0.00 H new ATOM 0 HG1 THR A 14 56.369 -24.037 -4.731 1.00 0.00 H new ATOM 0 HG21 THR A 14 57.850 -24.462 -6.596 1.00 0.00 H new ATOM 0 HG22 THR A 14 59.113 -23.243 -6.892 1.00 0.00 H new ATOM 0 HG23 THR A 14 59.208 -24.294 -5.458 1.00 0.00 H new ATOM 221 N GLU A 15 58.169 -20.487 -2.639 1.00 0.00 N ATOM 222 CA GLU A 15 57.461 -19.492 -1.819 1.00 0.00 C ATOM 223 C GLU A 15 58.440 -18.742 -0.922 1.00 0.00 C ATOM 224 O GLU A 15 59.409 -19.321 -0.433 1.00 0.00 O ATOM 225 CB GLU A 15 56.396 -20.180 -0.965 1.00 0.00 C ATOM 226 CG GLU A 15 55.607 -19.133 -0.174 1.00 0.00 C ATOM 227 CD GLU A 15 54.523 -19.811 0.656 1.00 0.00 C ATOM 228 OE1 GLU A 15 54.221 -20.959 0.377 1.00 0.00 O ATOM 229 OE2 GLU A 15 54.000 -19.167 1.550 1.00 0.00 O ATOM 0 H GLU A 15 58.891 -21.007 -2.140 1.00 0.00 H new ATOM 0 HA GLU A 15 56.979 -18.775 -2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 15 55.721 -20.753 -1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 15 56.866 -20.887 -0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 15 56.280 -18.575 0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 15 55.156 -18.413 -0.857 1.00 0.00 H new ATOM 236 N GLY A 16 58.176 -17.452 -0.709 1.00 0.00 N ATOM 237 CA GLY A 16 59.032 -16.618 0.138 1.00 0.00 C ATOM 238 C GLY A 16 58.191 -15.956 1.228 1.00 0.00 C ATOM 239 O GLY A 16 57.001 -15.712 1.030 1.00 0.00 O ATOM 0 H GLY A 16 57.377 -16.962 -1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 16 59.816 -17.226 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 16 59.526 -15.857 -0.466 1.00 0.00 H new ATOM 243 N GLU A 17 58.798 -15.673 2.380 1.00 0.00 N ATOM 244 CA GLU A 17 58.064 -15.043 3.478 1.00 0.00 C ATOM 245 C GLU A 17 59.002 -14.245 4.374 1.00 0.00 C ATOM 246 O GLU A 17 60.020 -14.754 4.842 1.00 0.00 O ATOM 247 CB GLU A 17 57.329 -16.126 4.290 1.00 0.00 C ATOM 248 CG GLU A 17 56.739 -15.558 5.596 1.00 0.00 C ATOM 249 CD GLU A 17 55.703 -14.480 5.301 1.00 0.00 C ATOM 250 OE1 GLU A 17 55.346 -14.327 4.150 1.00 0.00 O ATOM 251 OE2 GLU A 17 55.278 -13.823 6.236 1.00 0.00 O ATOM 0 H GLU A 17 59.780 -15.866 2.576 1.00 0.00 H new ATOM 0 HA GLU A 17 57.334 -14.348 3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 17 56.529 -16.554 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.020 -16.936 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 17 56.280 -16.361 6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 17 57.538 -15.142 6.210 1.00 0.00 H new ATOM 258 N ILE A 18 58.635 -12.987 4.606 1.00 0.00 N ATOM 259 CA ILE A 18 59.427 -12.083 5.445 1.00 0.00 C ATOM 260 C ILE A 18 58.814 -11.935 6.836 1.00 0.00 C ATOM 261 O ILE A 18 57.680 -11.475 6.975 1.00 0.00 O ATOM 262 CB ILE A 18 59.475 -10.706 4.766 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.277 -10.796 3.455 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.113 -9.669 5.698 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.793 -10.745 3.722 1.00 0.00 C ATOM 0 H ILE A 18 57.789 -12.566 4.223 1.00 0.00 H new ATOM 0 HA ILE A 18 60.429 -12.497 5.559 1.00 0.00 H new ATOM 0 HB ILE A 18 58.455 -10.392 4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 18 60.028 -11.722 2.937 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.994 -9.975 2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.139 -8.700 5.200 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.526 -9.592 6.613 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.129 -9.977 5.944 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.331 -10.811 2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 18 62.044 -9.807 4.218 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.078 -11.581 4.361 1.00 0.00 H new ATOM 277 N VAL A 19 59.581 -12.313 7.862 1.00 0.00 N ATOM 278 CA VAL A 19 59.116 -12.197 9.247 1.00 0.00 C ATOM 279 C VAL A 19 59.570 -10.873 9.861 1.00 0.00 C ATOM 280 O VAL A 19 58.818 -10.242 10.605 1.00 0.00 O ATOM 281 CB VAL A 19 59.643 -13.359 10.089 1.00 0.00 C ATOM 282 CG1 VAL A 19 59.002 -14.658 9.602 1.00 0.00 C ATOM 283 CG2 VAL A 19 61.163 -13.456 9.957 1.00 0.00 C ATOM 0 H VAL A 19 60.520 -12.699 7.762 1.00 0.00 H new ATOM 0 HA VAL A 19 58.026 -12.228 9.238 1.00 0.00 H new ATOM 0 HB VAL A 19 59.391 -13.191 11.136 1.00 0.00 H new ATOM 0 HG11 VAL A 19 59.373 -15.492 10.198 1.00 0.00 H new ATOM 0 HG12 VAL A 19 57.919 -14.591 9.706 1.00 0.00 H new ATOM 0 HG13 VAL A 19 59.256 -14.819 8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 19 61.528 -14.287 10.561 1.00 0.00 H new ATOM 0 HG22 VAL A 19 61.428 -13.622 8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 19 61.618 -12.528 10.303 1.00 0.00 H new ATOM 293 N ARG A 20 60.810 -10.461 9.565 1.00 0.00 N ATOM 294 CA ARG A 20 61.347 -9.212 10.124 1.00 0.00 C ATOM 295 C ARG A 20 62.162 -8.431 9.092 1.00 0.00 C ATOM 296 O ARG A 20 62.794 -9.013 8.211 1.00 0.00 O ATOM 297 CB ARG A 20 62.232 -9.532 11.329 1.00 0.00 C ATOM 298 CG ARG A 20 61.370 -10.039 12.488 1.00 0.00 C ATOM 299 CD ARG A 20 62.281 -10.421 13.655 1.00 0.00 C ATOM 300 NE ARG A 20 61.497 -10.929 14.775 1.00 0.00 N ATOM 301 CZ ARG A 20 62.092 -11.331 15.893 1.00 0.00 C ATOM 302 NH1 ARG A 20 63.392 -11.290 15.990 1.00 0.00 N ATOM 303 NH2 ARG A 20 61.381 -11.779 16.892 1.00 0.00 N ATOM 0 H ARG A 20 61.451 -10.964 8.952 1.00 0.00 H new ATOM 0 HA ARG A 20 60.503 -8.592 10.426 1.00 0.00 H new ATOM 0 HB2 ARG A 20 62.972 -10.285 11.058 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.781 -8.641 11.635 1.00 0.00 H new ATOM 0 HG2 ARG A 20 60.664 -9.268 12.798 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.782 -10.901 12.171 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.996 -11.178 13.332 1.00 0.00 H new ATOM 0 HD3 ARG A 20 62.858 -9.552 13.972 1.00 0.00 H new ATOM 0 HE ARG A 20 60.481 -10.976 14.699 1.00 0.00 H new ATOM 0 HH11 ARG A 20 63.951 -10.949 15.208 1.00 0.00 H new ATOM 0 HH12 ARG A 20 63.849 -11.598 16.848 1.00 0.00 H new ATOM 0 HH21 ARG A 20 60.365 -11.821 16.816 1.00 0.00 H new ATOM 0 HH22 ARG A 20 61.842 -12.087 17.748 1.00 0.00 H new ATOM 317 N TRP A 21 62.148 -7.097 9.222 1.00 0.00 N ATOM 318 CA TRP A 21 62.897 -6.215 8.311 1.00 0.00 C ATOM 319 C TRP A 21 63.989 -5.450 9.070 1.00 0.00 C ATOM 320 O TRP A 21 63.802 -5.069 10.226 1.00 0.00 O ATOM 321 CB TRP A 21 61.945 -5.200 7.615 1.00 0.00 C ATOM 322 CG TRP A 21 61.516 -5.703 6.268 1.00 0.00 C ATOM 323 CD1 TRP A 21 60.232 -5.879 5.882 1.00 0.00 C ATOM 324 CD2 TRP A 21 62.341 -6.079 5.119 1.00 0.00 C ATOM 325 NE1 TRP A 21 60.215 -6.350 4.582 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.489 -6.494 4.069 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.734 -6.111 4.889 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.993 -6.921 2.842 1.00 0.00 C ATOM 329 CZ3 TRP A 21 64.245 -6.535 3.651 1.00 0.00 C ATOM 330 CH2 TRP A 21 63.375 -6.943 2.630 1.00 0.00 C ATOM 0 H TRP A 21 61.628 -6.604 9.948 1.00 0.00 H new ATOM 0 HA TRP A 21 63.363 -6.844 7.552 1.00 0.00 H new ATOM 0 HB2 TRP A 21 61.068 -5.030 8.240 1.00 0.00 H new ATOM 0 HB3 TRP A 21 62.449 -4.240 7.505 1.00 0.00 H new ATOM 0 HD1 TRP A 21 59.361 -5.683 6.490 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.363 -6.565 4.064 1.00 0.00 H new ATOM 0 HE3 TRP A 21 64.413 -5.807 5.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 61.319 -7.234 2.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 65.312 -6.547 3.485 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.772 -7.274 1.681 1.00 0.00 H new ATOM 341 N ASP A 22 65.125 -5.212 8.400 1.00 0.00 N ATOM 342 CA ASP A 22 66.240 -4.469 9.014 1.00 0.00 C ATOM 343 C ASP A 22 66.400 -3.080 8.388 1.00 0.00 C ATOM 344 O ASP A 22 67.212 -2.278 8.851 1.00 0.00 O ATOM 345 CB ASP A 22 67.557 -5.240 8.857 1.00 0.00 C ATOM 346 CG ASP A 22 68.674 -4.505 9.590 1.00 0.00 C ATOM 347 OD1 ASP A 22 68.362 -3.637 10.388 1.00 0.00 O ATOM 348 OD2 ASP A 22 69.827 -4.821 9.347 1.00 0.00 O ATOM 0 H ASP A 22 65.298 -5.518 7.443 1.00 0.00 H new ATOM 0 HA ASP A 22 66.005 -4.355 10.072 1.00 0.00 H new ATOM 0 HB2 ASP A 22 67.449 -6.248 9.256 1.00 0.00 H new ATOM 0 HB3 ASP A 22 67.807 -5.341 7.801 1.00 0.00 H new ATOM 353 N VAL A 23 65.639 -2.793 7.326 1.00 0.00 N ATOM 354 CA VAL A 23 65.734 -1.491 6.654 1.00 0.00 C ATOM 355 C VAL A 23 64.352 -0.938 6.301 1.00 0.00 C ATOM 356 O VAL A 23 63.378 -1.684 6.210 1.00 0.00 O ATOM 357 CB VAL A 23 66.582 -1.632 5.381 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.830 -2.462 5.700 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.773 -2.334 4.277 1.00 0.00 C ATOM 0 H VAL A 23 64.959 -3.434 6.917 1.00 0.00 H new ATOM 0 HA VAL A 23 66.208 -0.788 7.339 1.00 0.00 H new ATOM 0 HB VAL A 23 66.870 -0.641 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.437 -2.566 4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 23 68.412 -1.962 6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.530 -3.449 6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.386 -2.427 3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 23 65.476 -3.326 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.883 -1.747 4.049 1.00 0.00 H new ATOM 369 N LYS A 24 64.287 0.380 6.087 1.00 0.00 N ATOM 370 CA LYS A 24 63.029 1.043 5.726 1.00 0.00 C ATOM 371 C LYS A 24 63.257 2.052 4.600 1.00 0.00 C ATOM 372 O LYS A 24 64.368 2.543 4.408 1.00 0.00 O ATOM 373 CB LYS A 24 62.447 1.770 6.939 1.00 0.00 C ATOM 374 CG LYS A 24 62.004 0.757 7.996 1.00 0.00 C ATOM 375 CD LYS A 24 61.418 1.509 9.193 1.00 0.00 C ATOM 376 CE LYS A 24 60.897 0.508 10.225 1.00 0.00 C ATOM 377 NZ LYS A 24 62.026 -0.327 10.727 1.00 0.00 N ATOM 0 H LYS A 24 65.088 1.008 6.157 1.00 0.00 H new ATOM 0 HA LYS A 24 62.329 0.279 5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 24 63.192 2.445 7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.599 2.383 6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 24 61.261 0.078 7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.851 0.148 8.312 1.00 0.00 H new ATOM 0 HD2 LYS A 24 62.179 2.147 9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 24 60.609 2.162 8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 24 60.426 1.037 11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 24 60.133 -0.127 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 61.745 -0.795 11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 62.268 -1.047 10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 62.853 0.278 10.903 1.00 0.00 H new ATOM 391 N GLU A 25 62.194 2.343 3.852 1.00 0.00 N ATOM 392 CA GLU A 25 62.280 3.289 2.738 1.00 0.00 C ATOM 393 C GLU A 25 62.573 4.704 3.227 1.00 0.00 C ATOM 394 O GLU A 25 62.053 5.136 4.256 1.00 0.00 O ATOM 395 CB GLU A 25 60.961 3.282 1.960 1.00 0.00 C ATOM 396 CG GLU A 25 61.075 4.189 0.731 1.00 0.00 C ATOM 397 CD GLU A 25 59.803 4.079 -0.103 1.00 0.00 C ATOM 398 OE1 GLU A 25 59.067 3.127 0.100 1.00 0.00 O ATOM 399 OE2 GLU A 25 59.578 4.952 -0.926 1.00 0.00 O ATOM 0 H GLU A 25 61.268 1.941 3.995 1.00 0.00 H new ATOM 0 HA GLU A 25 63.100 2.977 2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 25 60.716 2.266 1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.149 3.624 2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 25 61.230 5.222 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 25 61.940 3.902 0.133 1.00 0.00 H new ATOM 406 N GLY A 26 63.399 5.428 2.470 1.00 0.00 N ATOM 407 CA GLY A 26 63.737 6.808 2.818 1.00 0.00 C ATOM 408 C GLY A 26 64.866 6.894 3.843 1.00 0.00 C ATOM 409 O GLY A 26 65.165 7.979 4.344 1.00 0.00 O ATOM 0 H GLY A 26 63.843 5.085 1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.028 7.346 1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 26 62.852 7.306 3.214 1.00 0.00 H new ATOM 413 N ASP A 27 65.493 5.758 4.161 1.00 0.00 N ATOM 414 CA ASP A 27 66.589 5.734 5.142 1.00 0.00 C ATOM 415 C ASP A 27 67.898 5.262 4.512 1.00 0.00 C ATOM 416 O ASP A 27 67.909 4.373 3.662 1.00 0.00 O ATOM 417 CB ASP A 27 66.225 4.815 6.310 1.00 0.00 C ATOM 418 CG ASP A 27 65.096 5.435 7.128 1.00 0.00 C ATOM 419 OD1 ASP A 27 64.517 6.401 6.663 1.00 0.00 O ATOM 420 OD2 ASP A 27 64.831 4.934 8.208 1.00 0.00 O ATOM 0 H ASP A 27 65.265 4.849 3.759 1.00 0.00 H new ATOM 0 HA ASP A 27 66.733 6.753 5.502 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.919 3.839 5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 27 67.098 4.654 6.943 1.00 0.00 H new ATOM 425 N MET A 28 68.999 5.864 4.961 1.00 0.00 N ATOM 426 CA MET A 28 70.332 5.512 4.467 1.00 0.00 C ATOM 427 C MET A 28 70.897 4.360 5.296 1.00 0.00 C ATOM 428 O MET A 28 70.622 4.259 6.492 1.00 0.00 O ATOM 429 CB MET A 28 71.265 6.722 4.568 1.00 0.00 C ATOM 430 CG MET A 28 70.751 7.838 3.656 1.00 0.00 C ATOM 431 SD MET A 28 71.900 9.238 3.712 1.00 0.00 S ATOM 432 CE MET A 28 71.570 9.767 5.412 1.00 0.00 C ATOM 0 H MET A 28 68.995 6.600 5.668 1.00 0.00 H new ATOM 0 HA MET A 28 70.256 5.207 3.423 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.313 7.073 5.599 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.278 6.439 4.280 1.00 0.00 H new ATOM 0 HG2 MET A 28 70.656 7.472 2.634 1.00 0.00 H new ATOM 0 HG3 MET A 28 69.758 8.155 3.975 1.00 0.00 H new ATOM 0 HE1 MET A 28 71.843 10.816 5.526 1.00 0.00 H new ATOM 0 HE2 MET A 28 70.510 9.642 5.633 1.00 0.00 H new ATOM 0 HE3 MET A 28 72.158 9.162 6.102 1.00 0.00 H new ATOM 442 N VAL A 29 71.692 3.490 4.667 1.00 0.00 N ATOM 443 CA VAL A 29 72.281 2.353 5.387 1.00 0.00 C ATOM 444 C VAL A 29 73.716 2.099 4.933 1.00 0.00 C ATOM 445 O VAL A 29 74.081 2.385 3.792 1.00 0.00 O ATOM 446 CB VAL A 29 71.435 1.092 5.168 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.236 0.829 3.670 1.00 0.00 C ATOM 448 CG2 VAL A 29 72.126 -0.111 5.819 1.00 0.00 C ATOM 0 H VAL A 29 71.941 3.546 3.679 1.00 0.00 H new ATOM 0 HA VAL A 29 72.295 2.598 6.449 1.00 0.00 H new ATOM 0 HB VAL A 29 70.458 1.243 5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 29 70.634 -0.069 3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 29 70.727 1.679 3.216 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.206 0.690 3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 29 71.523 -1.006 5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 29 73.109 -0.253 5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 29 72.238 0.068 6.888 1.00 0.00 H new ATOM 458 N GLU A 30 74.521 1.553 5.845 1.00 0.00 N ATOM 459 CA GLU A 30 75.924 1.243 5.562 1.00 0.00 C ATOM 460 C GLU A 30 76.143 -0.267 5.544 1.00 0.00 C ATOM 461 O GLU A 30 75.400 -1.017 6.178 1.00 0.00 O ATOM 462 CB GLU A 30 76.818 1.866 6.635 1.00 0.00 C ATOM 463 CG GLU A 30 76.809 3.389 6.499 1.00 0.00 C ATOM 464 CD GLU A 30 77.651 4.010 7.608 1.00 0.00 C ATOM 465 OE1 GLU A 30 78.280 3.258 8.334 1.00 0.00 O ATOM 466 OE2 GLU A 30 77.658 5.225 7.713 1.00 0.00 O ATOM 0 H GLU A 30 74.224 1.315 6.791 1.00 0.00 H new ATOM 0 HA GLU A 30 76.178 1.653 4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.466 1.578 7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.836 1.489 6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 30 77.203 3.679 5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 30 75.786 3.762 6.553 1.00 0.00 H new ATOM 473 N LYS A 31 77.173 -0.704 4.823 1.00 0.00 N ATOM 474 CA LYS A 31 77.491 -2.126 4.737 1.00 0.00 C ATOM 475 C LYS A 31 77.672 -2.720 6.131 1.00 0.00 C ATOM 476 O LYS A 31 78.796 -2.888 6.598 1.00 0.00 O ATOM 477 CB LYS A 31 78.781 -2.313 3.935 1.00 0.00 C ATOM 478 CG LYS A 31 79.069 -3.804 3.745 1.00 0.00 C ATOM 479 CD LYS A 31 80.340 -3.967 2.911 1.00 0.00 C ATOM 480 CE LYS A 31 80.633 -5.455 2.704 1.00 0.00 C ATOM 481 NZ LYS A 31 81.849 -5.601 1.854 1.00 0.00 N ATOM 0 H LYS A 31 77.798 -0.097 4.293 1.00 0.00 H new ATOM 0 HA LYS A 31 76.667 -2.639 4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 31 78.689 -1.826 2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 31 79.613 -1.837 4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.190 -4.290 4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.229 -4.289 3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.220 -3.472 1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.180 -3.487 3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 31 80.786 -5.945 3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 31 79.782 -5.943 2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 82.053 -6.611 1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 81.686 -5.146 0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 82.658 -5.148 2.325 1.00 0.00 H new ATOM 495 N ASP A 32 76.552 -3.036 6.781 1.00 0.00 N ATOM 496 CA ASP A 32 76.576 -3.621 8.127 1.00 0.00 C ATOM 497 C ASP A 32 75.156 -3.888 8.609 1.00 0.00 C ATOM 498 O ASP A 32 74.503 -3.002 9.159 1.00 0.00 O ATOM 499 CB ASP A 32 77.279 -2.686 9.130 1.00 0.00 C ATOM 500 CG ASP A 32 77.360 -3.357 10.497 1.00 0.00 C ATOM 501 OD1 ASP A 32 76.820 -4.440 10.638 1.00 0.00 O ATOM 502 OD2 ASP A 32 77.976 -2.782 11.380 1.00 0.00 O ATOM 0 H ASP A 32 75.616 -2.898 6.400 1.00 0.00 H new ATOM 0 HA ASP A 32 77.131 -4.557 8.070 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.280 -2.444 8.774 1.00 0.00 H new ATOM 0 HB3 ASP A 32 76.733 -1.746 9.209 1.00 0.00 H new ATOM 507 N GLN A 33 74.681 -5.116 8.405 1.00 0.00 N ATOM 508 CA GLN A 33 73.330 -5.494 8.826 1.00 0.00 C ATOM 509 C GLN A 33 73.325 -6.927 9.354 1.00 0.00 C ATOM 510 O GLN A 33 74.151 -7.746 8.951 1.00 0.00 O ATOM 511 CB GLN A 33 72.356 -5.376 7.649 1.00 0.00 C ATOM 512 CG GLN A 33 72.146 -3.899 7.309 1.00 0.00 C ATOM 513 CD GLN A 33 71.231 -3.776 6.092 1.00 0.00 C ATOM 514 OE1 GLN A 33 71.629 -3.233 5.064 1.00 0.00 O ATOM 515 NE2 GLN A 33 70.018 -4.250 6.159 1.00 0.00 N ATOM 0 H GLN A 33 75.208 -5.864 7.953 1.00 0.00 H new ATOM 0 HA GLN A 33 73.013 -4.819 9.621 1.00 0.00 H new ATOM 0 HB2 GLN A 33 72.749 -5.908 6.783 1.00 0.00 H new ATOM 0 HB3 GLN A 33 71.403 -5.841 7.903 1.00 0.00 H new ATOM 0 HG2 GLN A 33 71.707 -3.379 8.160 1.00 0.00 H new ATOM 0 HG3 GLN A 33 73.105 -3.423 7.105 1.00 0.00 H new ATOM 0 HE21 GLN A 33 69.693 -4.700 7.015 1.00 0.00 H new ATOM 0 HE22 GLN A 33 69.394 -4.171 5.356 1.00 0.00 H new ATOM 524 N ASP A 34 72.401 -7.225 10.265 1.00 0.00 N ATOM 525 CA ASP A 34 72.315 -8.562 10.835 1.00 0.00 C ATOM 526 C ASP A 34 70.986 -8.739 11.567 1.00 0.00 C ATOM 527 O ASP A 34 70.869 -9.557 12.477 1.00 0.00 O ATOM 528 CB ASP A 34 73.480 -8.791 11.804 1.00 0.00 C ATOM 529 CG ASP A 34 73.521 -10.249 12.256 1.00 0.00 C ATOM 530 OD1 ASP A 34 72.609 -10.986 11.918 1.00 0.00 O ATOM 531 OD2 ASP A 34 74.477 -10.612 12.921 1.00 0.00 O ATOM 0 H ASP A 34 71.709 -6.565 10.620 1.00 0.00 H new ATOM 0 HA ASP A 34 72.372 -9.293 10.029 1.00 0.00 H new ATOM 0 HB2 ASP A 34 74.420 -8.528 11.320 1.00 0.00 H new ATOM 0 HB3 ASP A 34 73.374 -8.138 12.670 1.00 0.00 H new ATOM 536 N LEU A 35 69.981 -7.958 11.163 1.00 0.00 N ATOM 537 CA LEU A 35 68.651 -8.030 11.787 1.00 0.00 C ATOM 538 C LEU A 35 67.584 -8.357 10.746 1.00 0.00 C ATOM 539 O LEU A 35 66.416 -8.001 10.912 1.00 0.00 O ATOM 540 CB LEU A 35 68.308 -6.702 12.470 1.00 0.00 C ATOM 541 CG LEU A 35 69.365 -6.358 13.528 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.055 -4.974 14.107 1.00 0.00 C ATOM 543 CD2 LEU A 35 69.338 -7.407 14.658 1.00 0.00 C ATOM 0 H LEU A 35 70.058 -7.272 10.412 1.00 0.00 H new ATOM 0 HA LEU A 35 68.672 -8.823 12.534 1.00 0.00 H new ATOM 0 HB2 LEU A 35 68.255 -5.906 11.727 1.00 0.00 H new ATOM 0 HB3 LEU A 35 67.325 -6.768 12.936 1.00 0.00 H new ATOM 0 HG LEU A 35 70.354 -6.357 13.070 1.00 0.00 H new ATOM 0 HD11 LEU A 35 69.800 -4.719 14.860 1.00 0.00 H new ATOM 0 HD12 LEU A 35 69.078 -4.232 13.309 1.00 0.00 H new ATOM 0 HD13 LEU A 35 68.066 -4.984 14.564 1.00 0.00 H new ATOM 0 HD21 LEU A 35 70.091 -7.156 15.405 1.00 0.00 H new ATOM 0 HD22 LEU A 35 68.353 -7.415 15.124 1.00 0.00 H new ATOM 0 HD23 LEU A 35 69.551 -8.393 14.245 1.00 0.00 H new ATOM 555 N VAL A 36 67.981 -9.061 9.680 1.00 0.00 N ATOM 556 CA VAL A 36 67.041 -9.453 8.622 1.00 0.00 C ATOM 557 C VAL A 36 66.949 -10.975 8.620 1.00 0.00 C ATOM 558 O VAL A 36 67.968 -11.665 8.604 1.00 0.00 O ATOM 559 CB VAL A 36 67.509 -8.901 7.232 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.977 -8.469 7.316 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.365 -9.973 6.132 1.00 0.00 C ATOM 0 H VAL A 36 68.941 -9.370 9.527 1.00 0.00 H new ATOM 0 HA VAL A 36 66.055 -9.028 8.810 1.00 0.00 H new ATOM 0 HB VAL A 36 66.879 -8.049 6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.299 -8.086 6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.084 -7.688 8.069 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.593 -9.325 7.591 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.697 -9.563 5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.975 -10.840 6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 36 66.321 -10.275 6.053 1.00 0.00 H new ATOM 571 N GLU A 37 65.724 -11.488 8.653 1.00 0.00 N ATOM 572 CA GLU A 37 65.503 -12.934 8.668 1.00 0.00 C ATOM 573 C GLU A 37 64.545 -13.341 7.558 1.00 0.00 C ATOM 574 O GLU A 37 63.453 -12.786 7.426 1.00 0.00 O ATOM 575 CB GLU A 37 64.935 -13.359 10.033 1.00 0.00 C ATOM 576 CG GLU A 37 65.266 -14.832 10.295 1.00 0.00 C ATOM 577 CD GLU A 37 64.681 -15.698 9.184 1.00 0.00 C ATOM 578 OE1 GLU A 37 63.516 -15.512 8.867 1.00 0.00 O ATOM 579 OE2 GLU A 37 65.401 -16.539 8.670 1.00 0.00 O ATOM 0 H GLU A 37 64.871 -10.929 8.670 1.00 0.00 H new ATOM 0 HA GLU A 37 66.457 -13.434 8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 37 65.355 -12.736 10.822 1.00 0.00 H new ATOM 0 HB3 GLU A 37 63.855 -13.210 10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.346 -14.968 10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 37 64.862 -15.139 11.259 1.00 0.00 H new ATOM 586 N VAL A 38 64.960 -14.323 6.761 1.00 0.00 N ATOM 587 CA VAL A 38 64.146 -14.821 5.658 1.00 0.00 C ATOM 588 C VAL A 38 63.920 -16.323 5.811 1.00 0.00 C ATOM 589 O VAL A 38 64.820 -17.058 6.228 1.00 0.00 O ATOM 590 CB VAL A 38 64.849 -14.542 4.330 1.00 0.00 C ATOM 591 CG1 VAL A 38 64.994 -13.033 4.126 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.237 -15.180 4.327 1.00 0.00 C ATOM 0 H VAL A 38 65.861 -14.791 6.861 1.00 0.00 H new ATOM 0 HA VAL A 38 63.182 -14.312 5.672 1.00 0.00 H new ATOM 0 HB VAL A 38 64.252 -14.967 3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.496 -12.841 3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 38 64.007 -12.571 4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.583 -12.611 4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.729 -14.975 3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.831 -14.763 5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.142 -16.257 4.462 1.00 0.00 H new ATOM 602 N MET A 39 62.710 -16.774 5.477 1.00 0.00 N ATOM 603 CA MET A 39 62.355 -18.196 5.576 1.00 0.00 C ATOM 604 C MET A 39 61.812 -18.704 4.243 1.00 0.00 C ATOM 605 O MET A 39 61.012 -18.029 3.596 1.00 0.00 O ATOM 606 CB MET A 39 61.292 -18.383 6.658 1.00 0.00 C ATOM 607 CG MET A 39 60.973 -19.867 6.840 1.00 0.00 C ATOM 608 SD MET A 39 59.801 -20.049 8.211 1.00 0.00 S ATOM 609 CE MET A 39 58.392 -19.223 7.424 1.00 0.00 C ATOM 0 H MET A 39 61.957 -16.177 5.135 1.00 0.00 H new ATOM 0 HA MET A 39 63.250 -18.763 5.833 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.644 -17.962 7.600 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.387 -17.841 6.385 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.548 -20.277 5.924 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.885 -20.427 7.047 1.00 0.00 H new ATOM 0 HE1 MET A 39 57.463 -19.625 7.828 1.00 0.00 H new ATOM 0 HE2 MET A 39 58.441 -18.152 7.622 1.00 0.00 H new ATOM 0 HE3 MET A 39 58.424 -19.394 6.348 1.00 0.00 H new ATOM 619 N THR A 40 62.252 -19.899 3.835 1.00 0.00 N ATOM 620 CA THR A 40 61.802 -20.497 2.568 1.00 0.00 C ATOM 621 C THR A 40 61.100 -21.830 2.827 1.00 0.00 C ATOM 622 O THR A 40 59.879 -21.934 2.707 1.00 0.00 O ATOM 623 CB THR A 40 63.011 -20.724 1.633 1.00 0.00 C ATOM 624 OG1 THR A 40 62.836 -21.939 0.913 1.00 0.00 O ATOM 625 CG2 THR A 40 64.305 -20.808 2.450 1.00 0.00 C ATOM 0 H THR A 40 62.915 -20.470 4.358 1.00 0.00 H new ATOM 0 HA THR A 40 61.099 -19.813 2.093 1.00 0.00 H new ATOM 0 HB THR A 40 63.078 -19.887 0.938 1.00 0.00 H new ATOM 0 HG1 THR A 40 63.576 -22.549 1.115 1.00 0.00 H new ATOM 0 HG21 THR A 40 65.149 -20.968 1.779 1.00 0.00 H new ATOM 0 HG22 THR A 40 64.449 -19.878 2.999 1.00 0.00 H new ATOM 0 HG23 THR A 40 64.238 -21.638 3.153 1.00 0.00 H new ATOM 633 N ASP A 41 61.888 -22.845 3.181 1.00 0.00 N ATOM 634 CA ASP A 41 61.343 -24.185 3.453 1.00 0.00 C ATOM 635 C ASP A 41 61.150 -24.390 4.954 1.00 0.00 C ATOM 636 O ASP A 41 61.444 -25.465 5.474 1.00 0.00 O ATOM 637 CB ASP A 41 62.314 -25.247 2.931 1.00 0.00 C ATOM 638 CG ASP A 41 62.297 -25.268 1.407 1.00 0.00 C ATOM 639 OD1 ASP A 41 61.325 -24.797 0.837 1.00 0.00 O ATOM 640 OD2 ASP A 41 63.253 -25.761 0.829 1.00 0.00 O ATOM 0 H ASP A 41 62.900 -22.771 3.287 1.00 0.00 H new ATOM 0 HA ASP A 41 60.379 -24.275 2.952 1.00 0.00 H new ATOM 0 HB2 ASP A 41 63.322 -25.036 3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 41 62.036 -26.227 3.319 1.00 0.00 H new ATOM 645 N LYS A 42 60.660 -23.361 5.640 1.00 0.00 N ATOM 646 CA LYS A 42 60.439 -23.447 7.084 1.00 0.00 C ATOM 647 C LYS A 42 61.775 -23.459 7.828 1.00 0.00 C ATOM 648 O LYS A 42 61.934 -24.155 8.832 1.00 0.00 O ATOM 649 CB LYS A 42 59.625 -24.708 7.442 1.00 0.00 C ATOM 650 CG LYS A 42 58.968 -24.529 8.818 1.00 0.00 C ATOM 651 CD LYS A 42 58.053 -25.720 9.113 1.00 0.00 C ATOM 652 CE LYS A 42 57.455 -25.565 10.512 1.00 0.00 C ATOM 653 NZ LYS A 42 56.651 -24.310 10.553 1.00 0.00 N ATOM 0 H LYS A 42 60.409 -22.464 5.225 1.00 0.00 H new ATOM 0 HA LYS A 42 59.870 -22.570 7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 42 58.862 -24.886 6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 42 60.276 -25.582 7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 42 59.734 -24.447 9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 42 58.394 -23.603 8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 42 57.258 -25.775 8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 42 58.616 -26.651 9.047 1.00 0.00 H new ATOM 0 HE2 LYS A 42 56.828 -26.423 10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 42 58.247 -25.531 11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 55.969 -24.360 11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 57.284 -23.497 10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 56.139 -24.196 9.655 1.00 0.00 H new ATOM 667 N VAL A 43 62.733 -22.675 7.330 1.00 0.00 N ATOM 668 CA VAL A 43 64.059 -22.588 7.950 1.00 0.00 C ATOM 669 C VAL A 43 64.404 -21.125 8.216 1.00 0.00 C ATOM 670 O VAL A 43 64.208 -20.268 7.357 1.00 0.00 O ATOM 671 CB VAL A 43 65.121 -23.184 7.027 1.00 0.00 C ATOM 672 CG1 VAL A 43 66.467 -23.225 7.753 1.00 0.00 C ATOM 673 CG2 VAL A 43 64.716 -24.604 6.614 1.00 0.00 C ATOM 0 H VAL A 43 62.617 -22.092 6.501 1.00 0.00 H new ATOM 0 HA VAL A 43 64.041 -23.147 8.886 1.00 0.00 H new ATOM 0 HB VAL A 43 65.208 -22.564 6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 43 67.223 -23.650 7.093 1.00 0.00 H new ATOM 0 HG12 VAL A 43 66.759 -22.214 8.035 1.00 0.00 H new ATOM 0 HG13 VAL A 43 66.379 -23.840 8.648 1.00 0.00 H new ATOM 0 HG21 VAL A 43 65.478 -25.023 5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.621 -25.228 7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 43 63.761 -24.572 6.089 1.00 0.00 H new ATOM 683 N THR A 44 64.918 -20.847 9.407 1.00 0.00 N ATOM 684 CA THR A 44 65.289 -19.476 9.781 1.00 0.00 C ATOM 685 C THR A 44 66.782 -19.253 9.548 1.00 0.00 C ATOM 686 O THR A 44 67.618 -19.912 10.166 1.00 0.00 O ATOM 687 CB THR A 44 64.958 -19.252 11.262 1.00 0.00 C ATOM 688 OG1 THR A 44 63.689 -19.824 11.545 1.00 0.00 O ATOM 689 CG2 THR A 44 64.910 -17.757 11.583 1.00 0.00 C ATOM 0 H THR A 44 65.089 -21.544 10.132 1.00 0.00 H new ATOM 0 HA THR A 44 64.729 -18.771 9.167 1.00 0.00 H new ATOM 0 HB THR A 44 65.732 -19.720 11.870 1.00 0.00 H new ATOM 0 HG1 THR A 44 63.472 -19.686 12.491 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.674 -17.619 12.638 1.00 0.00 H new ATOM 0 HG22 THR A 44 65.879 -17.307 11.366 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.143 -17.279 10.974 1.00 0.00 H new ATOM 697 N VAL A 45 67.110 -18.334 8.636 1.00 0.00 N ATOM 698 CA VAL A 45 68.517 -18.041 8.316 1.00 0.00 C ATOM 699 C VAL A 45 68.786 -16.535 8.281 1.00 0.00 C ATOM 700 O VAL A 45 68.045 -15.771 7.659 1.00 0.00 O ATOM 701 CB VAL A 45 68.888 -18.656 6.961 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.717 -20.175 7.026 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.978 -18.086 5.870 1.00 0.00 C ATOM 0 H VAL A 45 66.432 -17.783 8.109 1.00 0.00 H new ATOM 0 HA VAL A 45 69.131 -18.480 9.103 1.00 0.00 H new ATOM 0 HB VAL A 45 69.925 -18.416 6.728 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.981 -20.612 6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.368 -20.582 7.800 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.680 -20.415 7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.244 -18.525 4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.940 -18.323 6.102 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.102 -17.004 5.822 1.00 0.00 H new ATOM 713 N LYS A 46 69.870 -16.131 8.949 1.00 0.00 N ATOM 714 CA LYS A 46 70.276 -14.720 8.996 1.00 0.00 C ATOM 715 C LYS A 46 71.298 -14.433 7.891 1.00 0.00 C ATOM 716 O LYS A 46 72.187 -15.247 7.638 1.00 0.00 O ATOM 717 CB LYS A 46 70.861 -14.382 10.393 1.00 0.00 C ATOM 718 CG LYS A 46 72.379 -14.647 10.463 1.00 0.00 C ATOM 719 CD LYS A 46 72.860 -14.453 11.902 1.00 0.00 C ATOM 720 CE LYS A 46 74.348 -14.799 11.989 1.00 0.00 C ATOM 721 NZ LYS A 46 75.124 -13.874 11.118 1.00 0.00 N ATOM 0 H LYS A 46 70.484 -16.760 9.466 1.00 0.00 H new ATOM 0 HA LYS A 46 69.403 -14.089 8.829 1.00 0.00 H new ATOM 0 HB2 LYS A 46 70.665 -13.335 10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 46 70.354 -14.977 11.152 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.599 -15.661 10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 46 72.910 -13.968 9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 46 72.696 -13.422 12.217 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.287 -15.088 12.578 1.00 0.00 H new ATOM 0 HE2 LYS A 46 74.691 -14.718 13.020 1.00 0.00 H new ATOM 0 HE3 LYS A 46 74.511 -15.831 11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 76.126 -13.894 11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 75.034 -14.173 10.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 74.755 -12.907 11.223 1.00 0.00 H new ATOM 735 N ILE A 47 71.170 -13.275 7.233 1.00 0.00 N ATOM 736 CA ILE A 47 72.094 -12.907 6.149 1.00 0.00 C ATOM 737 C ILE A 47 72.471 -11.413 6.239 1.00 0.00 C ATOM 738 O ILE A 47 71.586 -10.557 6.180 1.00 0.00 O ATOM 739 CB ILE A 47 71.436 -13.153 4.783 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.842 -14.566 4.726 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.488 -13.012 3.676 1.00 0.00 C ATOM 742 CD1 ILE A 47 70.009 -14.723 3.451 1.00 0.00 C ATOM 0 H ILE A 47 70.446 -12.583 7.427 1.00 0.00 H new ATOM 0 HA ILE A 47 72.989 -13.521 6.253 1.00 0.00 H new ATOM 0 HB ILE A 47 70.641 -12.421 4.640 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.640 -15.308 4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.220 -14.745 5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 47 72.022 -13.187 2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.909 -12.007 3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 47 73.282 -13.742 3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.588 -15.728 3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.201 -13.991 3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.644 -14.562 2.580 1.00 0.00 H new ATOM 754 N PRO A 48 73.745 -11.070 6.362 1.00 0.00 N ATOM 755 CA PRO A 48 74.186 -9.641 6.436 1.00 0.00 C ATOM 756 C PRO A 48 74.206 -8.971 5.055 1.00 0.00 C ATOM 757 O PRO A 48 74.545 -9.607 4.059 1.00 0.00 O ATOM 758 CB PRO A 48 75.595 -9.741 7.038 1.00 0.00 C ATOM 759 CG PRO A 48 76.118 -11.050 6.553 1.00 0.00 C ATOM 760 CD PRO A 48 74.909 -11.986 6.436 1.00 0.00 C ATOM 0 HA PRO A 48 73.511 -9.022 7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 48 76.226 -8.915 6.709 1.00 0.00 H new ATOM 0 HB3 PRO A 48 75.565 -9.705 8.127 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.615 -10.936 5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.856 -11.454 7.246 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.977 -12.616 5.549 1.00 0.00 H new ATOM 0 HD3 PRO A 48 74.837 -12.653 7.295 1.00 0.00 H new ATOM 768 N SER A 49 73.833 -7.692 5.009 1.00 0.00 N ATOM 769 CA SER A 49 73.802 -6.945 3.749 1.00 0.00 C ATOM 770 C SER A 49 75.222 -6.684 3.216 1.00 0.00 C ATOM 771 O SER A 49 75.980 -5.944 3.841 1.00 0.00 O ATOM 772 CB SER A 49 73.102 -5.604 3.973 1.00 0.00 C ATOM 773 OG SER A 49 73.825 -4.855 4.942 1.00 0.00 O ATOM 0 H SER A 49 73.549 -7.152 5.826 1.00 0.00 H new ATOM 0 HA SER A 49 73.261 -7.542 3.015 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.044 -5.049 3.036 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.079 -5.766 4.311 1.00 0.00 H new ATOM 0 HG SER A 49 74.784 -5.035 4.846 1.00 0.00 H new ATOM 779 N PRO A 50 75.604 -7.252 2.085 1.00 0.00 N ATOM 780 CA PRO A 50 76.964 -7.026 1.506 1.00 0.00 C ATOM 781 C PRO A 50 77.063 -5.756 0.651 1.00 0.00 C ATOM 782 O PRO A 50 78.062 -5.553 -0.040 1.00 0.00 O ATOM 783 CB PRO A 50 77.164 -8.266 0.635 1.00 0.00 C ATOM 784 CG PRO A 50 75.796 -8.586 0.123 1.00 0.00 C ATOM 785 CD PRO A 50 74.818 -8.178 1.238 1.00 0.00 C ATOM 0 HA PRO A 50 77.715 -6.885 2.284 1.00 0.00 H new ATOM 0 HB2 PRO A 50 77.858 -8.070 -0.182 1.00 0.00 H new ATOM 0 HB3 PRO A 50 77.576 -9.094 1.211 1.00 0.00 H new ATOM 0 HG2 PRO A 50 75.587 -8.041 -0.798 1.00 0.00 H new ATOM 0 HG3 PRO A 50 75.704 -9.647 -0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 50 73.931 -7.692 0.832 1.00 0.00 H new ATOM 0 HD3 PRO A 50 74.476 -9.044 1.805 1.00 0.00 H new ATOM 793 N VAL A 51 76.015 -4.931 0.664 1.00 0.00 N ATOM 794 CA VAL A 51 75.996 -3.715 -0.157 1.00 0.00 C ATOM 795 C VAL A 51 75.368 -2.532 0.590 1.00 0.00 C ATOM 796 O VAL A 51 74.599 -2.711 1.535 1.00 0.00 O ATOM 797 CB VAL A 51 75.215 -4.039 -1.444 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.140 -4.757 -2.431 1.00 0.00 C ATOM 799 CG2 VAL A 51 74.058 -4.977 -1.083 1.00 0.00 C ATOM 0 H VAL A 51 75.177 -5.078 1.226 1.00 0.00 H new ATOM 0 HA VAL A 51 77.016 -3.413 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 51 74.839 -3.120 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 51 75.590 -4.988 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.986 -4.113 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 51 76.503 -5.682 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 51 73.492 -5.219 -1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 51 74.455 -5.894 -0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 51 73.403 -4.487 -0.363 1.00 0.00 H new ATOM 809 N ARG A 52 75.714 -1.315 0.152 1.00 0.00 N ATOM 810 CA ARG A 52 75.197 -0.089 0.769 1.00 0.00 C ATOM 811 C ARG A 52 74.948 0.987 -0.290 1.00 0.00 C ATOM 812 O ARG A 52 75.639 1.035 -1.309 1.00 0.00 O ATOM 813 CB ARG A 52 76.204 0.426 1.810 1.00 0.00 C ATOM 814 CG ARG A 52 77.528 0.793 1.131 1.00 0.00 C ATOM 815 CD ARG A 52 78.513 1.320 2.176 1.00 0.00 C ATOM 816 NE ARG A 52 79.759 1.709 1.524 1.00 0.00 N ATOM 817 CZ ARG A 52 80.875 1.906 2.220 1.00 0.00 C ATOM 818 NH1 ARG A 52 80.868 1.800 3.521 1.00 0.00 N ATOM 819 NH2 ARG A 52 81.981 2.210 1.597 1.00 0.00 N ATOM 0 H ARG A 52 76.351 -1.154 -0.628 1.00 0.00 H new ATOM 0 HA ARG A 52 74.249 -0.316 1.258 1.00 0.00 H new ATOM 0 HB2 ARG A 52 75.796 1.298 2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 52 76.376 -0.337 2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.946 -0.081 0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.358 1.548 0.364 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.082 2.174 2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 52 78.707 0.553 2.926 1.00 0.00 H new ATOM 0 HE ARG A 52 79.774 1.833 0.512 1.00 0.00 H new ATOM 0 HH11 ARG A 52 80.004 1.565 4.009 1.00 0.00 H new ATOM 0 HH12 ARG A 52 81.727 1.952 4.050 1.00 0.00 H new ATOM 0 HH21 ARG A 52 81.987 2.296 0.581 1.00 0.00 H new ATOM 0 HH22 ARG A 52 82.839 2.362 2.127 1.00 0.00 H new ATOM 833 N GLY A 53 73.965 1.855 -0.044 1.00 0.00 N ATOM 834 CA GLY A 53 73.656 2.926 -0.989 1.00 0.00 C ATOM 835 C GLY A 53 72.416 3.707 -0.549 1.00 0.00 C ATOM 836 O GLY A 53 72.291 4.062 0.622 1.00 0.00 O ATOM 0 H GLY A 53 73.377 1.838 0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.507 3.603 -1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.491 2.504 -1.981 1.00 0.00 H new ATOM 840 N LYS A 54 71.502 3.987 -1.489 1.00 0.00 N ATOM 841 CA LYS A 54 70.281 4.740 -1.178 1.00 0.00 C ATOM 842 C LYS A 54 69.053 3.880 -1.457 1.00 0.00 C ATOM 843 O LYS A 54 68.944 3.273 -2.523 1.00 0.00 O ATOM 844 CB LYS A 54 70.220 6.006 -2.048 1.00 0.00 C ATOM 845 CG LYS A 54 69.000 6.844 -1.657 1.00 0.00 C ATOM 846 CD LYS A 54 68.957 8.114 -2.509 1.00 0.00 C ATOM 847 CE LYS A 54 67.751 8.965 -2.106 1.00 0.00 C ATOM 848 NZ LYS A 54 67.898 9.393 -0.685 1.00 0.00 N ATOM 0 H LYS A 54 71.585 3.705 -2.466 1.00 0.00 H new ATOM 0 HA LYS A 54 70.295 5.018 -0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.131 6.591 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 54 70.162 5.732 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 54 68.087 6.266 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 54 69.048 7.104 -0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 54 69.877 8.684 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 54 68.893 7.853 -3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 54 67.676 9.838 -2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 54 66.831 8.394 -2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 67.292 10.219 -0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 67.615 8.614 -0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 68.890 9.645 -0.499 1.00 0.00 H new ATOM 862 N ILE A 55 68.124 3.822 -0.499 1.00 0.00 N ATOM 863 CA ILE A 55 66.911 3.021 -0.669 1.00 0.00 C ATOM 864 C ILE A 55 65.796 3.923 -1.203 1.00 0.00 C ATOM 865 O ILE A 55 65.433 4.914 -0.568 1.00 0.00 O ATOM 866 CB ILE A 55 66.502 2.418 0.688 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.764 2.017 1.470 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.631 1.177 0.479 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.653 1.089 0.634 1.00 0.00 C ATOM 0 H ILE A 55 68.187 4.314 0.392 1.00 0.00 H new ATOM 0 HA ILE A 55 67.091 2.210 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 55 65.935 3.163 1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.324 2.910 1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.480 1.518 2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.350 0.762 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.732 1.452 -0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.190 0.431 -0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.539 0.819 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 55 68.098 0.187 0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.955 1.601 -0.280 1.00 0.00 H new ATOM 881 N VAL A 56 65.283 3.608 -2.395 1.00 0.00 N ATOM 882 CA VAL A 56 64.240 4.438 -3.020 1.00 0.00 C ATOM 883 C VAL A 56 62.821 3.899 -2.781 1.00 0.00 C ATOM 884 O VAL A 56 61.929 4.665 -2.414 1.00 0.00 O ATOM 885 CB VAL A 56 64.524 4.549 -4.534 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.270 5.015 -5.293 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.653 5.561 -4.767 1.00 0.00 C ATOM 0 H VAL A 56 65.566 2.796 -2.944 1.00 0.00 H new ATOM 0 HA VAL A 56 64.276 5.422 -2.553 1.00 0.00 H new ATOM 0 HB VAL A 56 64.815 3.566 -4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.494 5.086 -6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.464 4.298 -5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 56 62.962 5.992 -4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.855 5.641 -5.835 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.354 6.535 -4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.553 5.227 -4.251 1.00 0.00 H new ATOM 897 N LYS A 57 62.591 2.603 -3.017 1.00 0.00 N ATOM 898 CA LYS A 57 61.240 2.048 -2.852 1.00 0.00 C ATOM 899 C LYS A 57 61.251 0.632 -2.288 1.00 0.00 C ATOM 900 O LYS A 57 62.243 -0.090 -2.388 1.00 0.00 O ATOM 901 CB LYS A 57 60.521 2.066 -4.206 1.00 0.00 C ATOM 902 CG LYS A 57 61.242 1.141 -5.197 1.00 0.00 C ATOM 903 CD LYS A 57 60.501 1.139 -6.543 1.00 0.00 C ATOM 904 CE LYS A 57 60.729 2.464 -7.283 1.00 0.00 C ATOM 905 NZ LYS A 57 60.376 2.294 -8.720 1.00 0.00 N ATOM 0 H LYS A 57 63.300 1.933 -3.315 1.00 0.00 H new ATOM 0 HA LYS A 57 60.712 2.671 -2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 57 59.487 1.744 -4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.494 3.082 -4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 57 62.270 1.475 -5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 57 61.288 0.129 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 57 60.850 0.308 -7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 57 59.434 0.987 -6.378 1.00 0.00 H new ATOM 0 HE2 LYS A 57 60.120 3.251 -6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 57 61.770 2.773 -7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 60.101 3.213 -9.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 61.198 1.922 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 59.582 1.628 -8.806 1.00 0.00 H new ATOM 919 N ILE A 58 60.124 0.254 -1.679 1.00 0.00 N ATOM 920 CA ILE A 58 59.963 -1.063 -1.076 1.00 0.00 C ATOM 921 C ILE A 58 58.724 -1.764 -1.638 1.00 0.00 C ATOM 922 O ILE A 58 57.610 -1.247 -1.544 1.00 0.00 O ATOM 923 CB ILE A 58 59.820 -0.891 0.442 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.979 -2.256 1.127 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.451 -0.278 0.777 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.451 -2.200 2.570 1.00 0.00 C ATOM 0 H ILE A 58 59.303 0.853 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 58 60.834 -1.676 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 58 60.596 -0.218 0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.437 -3.017 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 58 61.029 -2.548 1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 58 58.360 -0.160 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 58 58.361 0.696 0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.660 -0.935 0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.572 -3.176 3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 58 60.011 -1.454 3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 58 58.395 -1.930 2.561 1.00 0.00 H new ATOM 938 N LEU A 59 58.930 -2.941 -2.223 1.00 0.00 N ATOM 939 CA LEU A 59 57.828 -3.716 -2.803 1.00 0.00 C ATOM 940 C LEU A 59 57.371 -4.807 -1.837 1.00 0.00 C ATOM 941 O LEU A 59 56.280 -5.360 -1.983 1.00 0.00 O ATOM 942 CB LEU A 59 58.287 -4.351 -4.119 1.00 0.00 C ATOM 943 CG LEU A 59 58.620 -3.255 -5.141 1.00 0.00 C ATOM 944 CD1 LEU A 59 59.281 -3.897 -6.367 1.00 0.00 C ATOM 945 CD2 LEU A 59 57.339 -2.515 -5.576 1.00 0.00 C ATOM 0 H LEU A 59 59.846 -3.381 -2.310 1.00 0.00 H new ATOM 0 HA LEU A 59 56.989 -3.046 -2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 59 59.163 -4.976 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 59 57.505 -5.001 -4.512 1.00 0.00 H new ATOM 0 HG LEU A 59 59.299 -2.536 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 59 59.520 -3.124 -7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 59 60.196 -4.405 -6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 59 58.597 -4.619 -6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.594 -1.742 -6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 59 56.646 -3.223 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.870 -2.056 -4.705 1.00 0.00 H new ATOM 957 N TYR A 60 58.214 -5.122 -0.853 1.00 0.00 N ATOM 958 CA TYR A 60 57.893 -6.163 0.132 1.00 0.00 C ATOM 959 C TYR A 60 57.486 -5.553 1.470 1.00 0.00 C ATOM 960 O TYR A 60 58.085 -4.584 1.937 1.00 0.00 O ATOM 961 CB TYR A 60 59.107 -7.096 0.320 1.00 0.00 C ATOM 962 CG TYR A 60 59.085 -8.186 -0.744 1.00 0.00 C ATOM 963 CD1 TYR A 60 59.196 -7.844 -2.103 1.00 0.00 C ATOM 964 CD2 TYR A 60 58.939 -9.537 -0.380 1.00 0.00 C ATOM 965 CE1 TYR A 60 59.159 -8.841 -3.085 1.00 0.00 C ATOM 966 CE2 TYR A 60 58.902 -10.529 -1.364 1.00 0.00 C ATOM 967 CZ TYR A 60 59.011 -10.183 -2.715 1.00 0.00 C ATOM 968 OH TYR A 60 58.981 -11.170 -3.679 1.00 0.00 O ATOM 0 H TYR A 60 59.121 -4.675 -0.715 1.00 0.00 H new ATOM 0 HA TYR A 60 57.048 -6.740 -0.243 1.00 0.00 H new ATOM 0 HB2 TYR A 60 60.032 -6.524 0.250 1.00 0.00 H new ATOM 0 HB3 TYR A 60 59.084 -7.543 1.314 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.310 -6.809 -2.390 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.855 -9.808 0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 60 59.245 -8.575 -4.128 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.789 -11.565 -1.081 1.00 0.00 H new ATOM 0 HH TYR A 60 59.575 -10.923 -4.419 1.00 0.00 H new ATOM 978 N ARG A 61 56.453 -6.144 2.078 1.00 0.00 N ATOM 979 CA ARG A 61 55.942 -5.685 3.372 1.00 0.00 C ATOM 980 C ARG A 61 55.997 -6.820 4.389 1.00 0.00 C ATOM 981 O ARG A 61 56.194 -7.980 4.027 1.00 0.00 O ATOM 982 CB ARG A 61 54.501 -5.197 3.228 1.00 0.00 C ATOM 983 CG ARG A 61 54.464 -3.949 2.344 1.00 0.00 C ATOM 984 CD ARG A 61 53.013 -3.510 2.157 1.00 0.00 C ATOM 985 NE ARG A 61 52.455 -3.063 3.427 1.00 0.00 N ATOM 986 CZ ARG A 61 51.169 -2.745 3.533 1.00 0.00 C ATOM 987 NH1 ARG A 61 50.386 -2.855 2.494 1.00 0.00 N ATOM 988 NH2 ARG A 61 50.685 -2.332 4.672 1.00 0.00 N ATOM 0 H ARG A 61 55.953 -6.945 1.692 1.00 0.00 H new ATOM 0 HA ARG A 61 56.565 -4.861 3.719 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.883 -5.982 2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 61 54.084 -4.972 4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 61 55.043 -3.147 2.802 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.920 -4.160 1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.961 -2.704 1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.423 -4.338 1.763 1.00 0.00 H new ATOM 0 HE ARG A 61 53.060 -2.993 4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 61 50.762 -3.184 1.605 1.00 0.00 H new ATOM 0 HH12 ARG A 61 49.398 -2.612 2.572 1.00 0.00 H new ATOM 0 HH21 ARG A 61 51.294 -2.252 5.486 1.00 0.00 H new ATOM 0 HH22 ARG A 61 49.697 -2.089 4.748 1.00 0.00 H new ATOM 1002 N GLU A 62 55.834 -6.480 5.661 1.00 0.00 N ATOM 1003 CA GLU A 62 55.881 -7.486 6.717 1.00 0.00 C ATOM 1004 C GLU A 62 54.740 -8.491 6.574 1.00 0.00 C ATOM 1005 O GLU A 62 53.576 -8.113 6.433 1.00 0.00 O ATOM 1006 CB GLU A 62 55.800 -6.824 8.097 1.00 0.00 C ATOM 1007 CG GLU A 62 57.066 -6.010 8.365 1.00 0.00 C ATOM 1008 CD GLU A 62 56.947 -5.311 9.715 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.939 -5.514 10.373 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.863 -4.591 10.074 1.00 0.00 O ATOM 0 H GLU A 62 55.670 -5.527 5.985 1.00 0.00 H new ATOM 0 HA GLU A 62 56.830 -8.014 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.925 -6.176 8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.678 -7.585 8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.939 -6.663 8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 62 57.212 -5.274 7.574 1.00 0.00 H new ATOM 1017 N GLY A 63 55.083 -9.776 6.627 1.00 0.00 N ATOM 1018 CA GLY A 63 54.075 -10.837 6.521 1.00 0.00 C ATOM 1019 C GLY A 63 53.673 -11.096 5.074 1.00 0.00 C ATOM 1020 O GLY A 63 52.754 -11.872 4.808 1.00 0.00 O ATOM 0 H GLY A 63 56.040 -10.109 6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 63 54.467 -11.755 6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 63 53.193 -10.559 7.099 1.00 0.00 H new ATOM 1024 N GLN A 64 54.348 -10.437 4.139 1.00 0.00 N ATOM 1025 CA GLN A 64 54.027 -10.603 2.722 1.00 0.00 C ATOM 1026 C GLN A 64 54.632 -11.898 2.173 1.00 0.00 C ATOM 1027 O GLN A 64 55.753 -12.270 2.519 1.00 0.00 O ATOM 1028 CB GLN A 64 54.557 -9.400 1.939 1.00 0.00 C ATOM 1029 CG GLN A 64 54.010 -9.430 0.512 1.00 0.00 C ATOM 1030 CD GLN A 64 54.428 -8.165 -0.228 1.00 0.00 C ATOM 1031 OE1 GLN A 64 54.830 -7.184 0.398 1.00 0.00 O ATOM 1032 NE2 GLN A 64 54.357 -8.125 -1.530 1.00 0.00 N ATOM 0 H GLN A 64 55.113 -9.790 4.331 1.00 0.00 H new ATOM 0 HA GLN A 64 52.944 -10.664 2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 64 54.261 -8.474 2.432 1.00 0.00 H new ATOM 0 HB3 GLN A 64 55.647 -9.417 1.921 1.00 0.00 H new ATOM 0 HG2 GLN A 64 54.384 -10.309 -0.012 1.00 0.00 H new ATOM 0 HG3 GLN A 64 52.923 -9.509 0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 64 54.024 -8.938 -2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 64 54.635 -7.281 -2.030 1.00 0.00 H new ATOM 1041 N VAL A 65 53.870 -12.587 1.316 1.00 0.00 N ATOM 1042 CA VAL A 65 54.314 -13.852 0.718 1.00 0.00 C ATOM 1043 C VAL A 65 54.403 -13.702 -0.805 1.00 0.00 C ATOM 1044 O VAL A 65 53.462 -13.222 -1.433 1.00 0.00 O ATOM 1045 CB VAL A 65 53.290 -14.945 1.040 1.00 0.00 C ATOM 1046 CG1 VAL A 65 53.623 -16.229 0.274 1.00 0.00 C ATOM 1047 CG2 VAL A 65 53.256 -15.228 2.544 1.00 0.00 C ATOM 0 H VAL A 65 52.940 -12.289 1.020 1.00 0.00 H new ATOM 0 HA VAL A 65 55.292 -14.116 1.121 1.00 0.00 H new ATOM 0 HB VAL A 65 52.306 -14.592 0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 65 52.887 -16.997 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 65 53.604 -16.029 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 65 54.616 -16.577 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 65 52.522 -16.007 2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.240 -15.560 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 65 52.981 -14.319 3.079 1.00 0.00 H new ATOM 1057 N VAL A 66 55.530 -14.113 -1.392 1.00 0.00 N ATOM 1058 CA VAL A 66 55.706 -14.007 -2.852 1.00 0.00 C ATOM 1059 C VAL A 66 56.605 -15.137 -3.392 1.00 0.00 C ATOM 1060 O VAL A 66 57.632 -15.436 -2.782 1.00 0.00 O ATOM 1061 CB VAL A 66 56.362 -12.667 -3.187 1.00 0.00 C ATOM 1062 CG1 VAL A 66 56.418 -12.469 -4.704 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.540 -11.531 -2.578 1.00 0.00 C ATOM 0 H VAL A 66 56.324 -14.516 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 66 54.723 -14.086 -3.316 1.00 0.00 H new ATOM 0 HB VAL A 66 57.373 -12.663 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 66 56.887 -11.511 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 66 57.000 -13.273 -5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 66 55.407 -12.482 -5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 66 56.007 -10.575 -2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.530 -11.553 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.496 -11.653 -1.496 1.00 0.00 H new ATOM 1073 N PRO A 67 56.285 -15.752 -4.526 1.00 0.00 N ATOM 1074 CA PRO A 67 57.158 -16.820 -5.107 1.00 0.00 C ATOM 1075 C PRO A 67 58.601 -16.346 -5.291 1.00 0.00 C ATOM 1076 O PRO A 67 58.838 -15.213 -5.711 1.00 0.00 O ATOM 1077 CB PRO A 67 56.517 -17.137 -6.473 1.00 0.00 C ATOM 1078 CG PRO A 67 55.095 -16.698 -6.354 1.00 0.00 C ATOM 1079 CD PRO A 67 55.080 -15.530 -5.364 1.00 0.00 C ATOM 0 HA PRO A 67 57.217 -17.688 -4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 67 57.026 -16.607 -7.278 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.582 -18.201 -6.700 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.702 -16.390 -7.323 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.466 -17.514 -6.000 1.00 0.00 H new ATOM 0 HD2 PRO A 67 55.123 -14.570 -5.879 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.171 -15.528 -4.763 1.00 0.00 H new ATOM 1087 N VAL A 68 59.555 -17.221 -4.987 1.00 0.00 N ATOM 1088 CA VAL A 68 60.970 -16.882 -5.140 1.00 0.00 C ATOM 1089 C VAL A 68 61.297 -16.663 -6.618 1.00 0.00 C ATOM 1090 O VAL A 68 60.930 -17.469 -7.473 1.00 0.00 O ATOM 1091 CB VAL A 68 61.831 -18.027 -4.569 1.00 0.00 C ATOM 1092 CG1 VAL A 68 63.285 -17.917 -5.048 1.00 0.00 C ATOM 1093 CG2 VAL A 68 61.797 -17.970 -3.040 1.00 0.00 C ATOM 0 H VAL A 68 59.379 -18.162 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 68 61.186 -15.962 -4.596 1.00 0.00 H new ATOM 0 HB VAL A 68 61.423 -18.974 -4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 68 63.869 -18.737 -4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 68 63.314 -17.969 -6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 68 63.706 -16.967 -4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 68 62.405 -18.778 -2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 68 62.193 -17.012 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 68 60.769 -18.079 -2.695 1.00 0.00 H new ATOM 1103 N GLY A 69 61.986 -15.555 -6.912 1.00 0.00 N ATOM 1104 CA GLY A 69 62.362 -15.219 -8.293 1.00 0.00 C ATOM 1105 C GLY A 69 61.944 -13.791 -8.651 1.00 0.00 C ATOM 1106 O GLY A 69 61.306 -13.566 -9.679 1.00 0.00 O ATOM 0 H GLY A 69 62.295 -14.876 -6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 69 63.440 -15.326 -8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.892 -15.921 -8.981 1.00 0.00 H new ATOM 1110 N SER A 70 62.311 -12.823 -7.808 1.00 0.00 N ATOM 1111 CA SER A 70 61.966 -11.425 -8.074 1.00 0.00 C ATOM 1112 C SER A 70 62.870 -10.473 -7.296 1.00 0.00 C ATOM 1113 O SER A 70 63.526 -10.870 -6.333 1.00 0.00 O ATOM 1114 CB SER A 70 60.508 -11.166 -7.701 1.00 0.00 C ATOM 1115 OG SER A 70 60.279 -11.598 -6.367 1.00 0.00 O ATOM 0 H SER A 70 62.839 -12.977 -6.949 1.00 0.00 H new ATOM 0 HA SER A 70 62.110 -11.241 -9.139 1.00 0.00 H new ATOM 0 HB2 SER A 70 60.280 -10.104 -7.795 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.846 -11.696 -8.386 1.00 0.00 H new ATOM 0 HG SER A 70 61.136 -11.691 -5.902 1.00 0.00 H new ATOM 1121 N THR A 71 62.894 -9.206 -7.717 1.00 0.00 N ATOM 1122 CA THR A 71 63.719 -8.202 -7.045 1.00 0.00 C ATOM 1123 C THR A 71 62.967 -7.628 -5.843 1.00 0.00 C ATOM 1124 O THR A 71 61.924 -6.993 -5.982 1.00 0.00 O ATOM 1125 CB THR A 71 64.112 -7.091 -8.034 1.00 0.00 C ATOM 1126 OG1 THR A 71 65.220 -6.369 -7.517 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.940 -6.128 -8.256 1.00 0.00 C ATOM 0 H THR A 71 62.358 -8.855 -8.511 1.00 0.00 H new ATOM 0 HA THR A 71 64.634 -8.672 -6.683 1.00 0.00 H new ATOM 0 HB THR A 71 64.377 -7.549 -8.987 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.184 -5.443 -7.835 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.237 -5.349 -8.958 1.00 0.00 H new ATOM 0 HG22 THR A 71 62.090 -6.677 -8.661 1.00 0.00 H new ATOM 0 HG23 THR A 71 62.659 -5.672 -7.307 1.00 0.00 H new ATOM 1135 N LEU A 72 63.493 -7.897 -4.656 1.00 0.00 N ATOM 1136 CA LEU A 72 62.855 -7.439 -3.424 1.00 0.00 C ATOM 1137 C LEU A 72 62.859 -5.918 -3.295 1.00 0.00 C ATOM 1138 O LEU A 72 61.883 -5.319 -2.842 1.00 0.00 O ATOM 1139 CB LEU A 72 63.593 -8.014 -2.213 1.00 0.00 C ATOM 1140 CG LEU A 72 63.463 -9.544 -2.160 1.00 0.00 C ATOM 1141 CD1 LEU A 72 64.278 -10.069 -0.972 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.986 -9.955 -2.027 1.00 0.00 C ATOM 0 H LEU A 72 64.354 -8.426 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 72 61.822 -7.784 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 72 64.646 -7.737 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 72 63.190 -7.580 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 72 63.847 -9.976 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.193 -11.155 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.325 -9.792 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 72 63.896 -9.634 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.913 -11.042 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.572 -9.533 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 72 61.426 -9.582 -2.884 1.00 0.00 H new ATOM 1154 N LEU A 73 63.981 -5.297 -3.642 1.00 0.00 N ATOM 1155 CA LEU A 73 64.119 -3.846 -3.497 1.00 0.00 C ATOM 1156 C LEU A 73 64.945 -3.277 -4.656 1.00 0.00 C ATOM 1157 O LEU A 73 65.880 -3.921 -5.128 1.00 0.00 O ATOM 1158 CB LEU A 73 64.830 -3.592 -2.142 1.00 0.00 C ATOM 1159 CG LEU A 73 64.468 -2.220 -1.521 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.684 -2.285 0.000 1.00 0.00 C ATOM 1161 CD2 LEU A 73 65.372 -1.116 -2.086 1.00 0.00 C ATOM 0 H LEU A 73 64.803 -5.767 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 73 63.146 -3.355 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 73 64.562 -4.384 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.909 -3.646 -2.287 1.00 0.00 H new ATOM 0 HG LEU A 73 63.428 -1.995 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.431 -1.323 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.046 -3.060 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.728 -2.519 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 73 65.102 -0.160 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.413 -1.344 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.244 -1.059 -3.167 1.00 0.00 H new ATOM 1173 N GLN A 74 64.631 -2.051 -5.079 1.00 0.00 N ATOM 1174 CA GLN A 74 65.392 -1.402 -6.148 1.00 0.00 C ATOM 1175 C GLN A 74 66.341 -0.399 -5.507 1.00 0.00 C ATOM 1176 O GLN A 74 65.922 0.468 -4.741 1.00 0.00 O ATOM 1177 CB GLN A 74 64.448 -0.683 -7.112 1.00 0.00 C ATOM 1178 CG GLN A 74 65.249 -0.086 -8.272 1.00 0.00 C ATOM 1179 CD GLN A 74 64.314 0.652 -9.223 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.439 1.400 -8.785 1.00 0.00 O ATOM 1181 NE2 GLN A 74 64.455 0.496 -10.511 1.00 0.00 N ATOM 0 H GLN A 74 63.864 -1.493 -4.703 1.00 0.00 H new ATOM 0 HA GLN A 74 65.951 -2.147 -6.714 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.702 -1.381 -7.494 1.00 0.00 H new ATOM 0 HB3 GLN A 74 63.908 0.105 -6.587 1.00 0.00 H new ATOM 0 HG2 GLN A 74 66.006 0.598 -7.888 1.00 0.00 H new ATOM 0 HG3 GLN A 74 65.776 -0.877 -8.807 1.00 0.00 H new ATOM 0 HE21 GLN A 74 65.180 -0.124 -10.873 1.00 0.00 H new ATOM 0 HE22 GLN A 74 63.840 0.994 -11.155 1.00 0.00 H new ATOM 1190 N ILE A 75 67.631 -0.556 -5.790 1.00 0.00 N ATOM 1191 CA ILE A 75 68.658 0.306 -5.196 1.00 0.00 C ATOM 1192 C ILE A 75 69.553 0.922 -6.261 1.00 0.00 C ATOM 1193 O ILE A 75 70.089 0.227 -7.123 1.00 0.00 O ATOM 1194 CB ILE A 75 69.495 -0.558 -4.245 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.601 -1.076 -3.116 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.642 0.247 -3.635 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.328 -2.177 -2.349 1.00 0.00 C ATOM 0 H ILE A 75 67.993 -1.268 -6.424 1.00 0.00 H new ATOM 0 HA ILE A 75 68.180 1.128 -4.662 1.00 0.00 H new ATOM 0 HB ILE A 75 69.914 -1.387 -4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.341 -0.260 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.667 -1.461 -3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.218 -0.391 -2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.290 0.617 -4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.237 1.090 -3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.689 -2.544 -1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.565 -2.997 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.250 -1.778 -1.926 1.00 0.00 H new ATOM 1209 N ASP A 76 69.714 2.238 -6.179 1.00 0.00 N ATOM 1210 CA ASP A 76 70.565 2.969 -7.124 1.00 0.00 C ATOM 1211 C ASP A 76 71.918 3.256 -6.479 1.00 0.00 C ATOM 1212 O ASP A 76 72.011 4.046 -5.540 1.00 0.00 O ATOM 1213 CB ASP A 76 69.904 4.286 -7.532 1.00 0.00 C ATOM 1214 CG ASP A 76 70.623 4.864 -8.747 1.00 0.00 C ATOM 1215 OD1 ASP A 76 71.639 4.302 -9.126 1.00 0.00 O ATOM 1216 OD2 ASP A 76 70.155 5.858 -9.276 1.00 0.00 O ATOM 0 H ASP A 76 69.270 2.823 -5.472 1.00 0.00 H new ATOM 0 HA ASP A 76 70.705 2.356 -8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 76 68.852 4.120 -7.764 1.00 0.00 H new ATOM 0 HB3 ASP A 76 69.940 4.994 -6.704 1.00 0.00 H new ATOM 1221 N THR A 77 72.960 2.603 -6.981 1.00 0.00 N ATOM 1222 CA THR A 77 74.303 2.792 -6.441 1.00 0.00 C ATOM 1223 C THR A 77 74.612 4.273 -6.249 1.00 0.00 C ATOM 1224 O THR A 77 75.443 4.580 -5.407 1.00 0.00 O ATOM 1225 CB THR A 77 75.332 2.173 -7.392 1.00 0.00 C ATOM 1226 OG1 THR A 77 76.641 2.482 -6.937 1.00 0.00 O ATOM 1227 CG2 THR A 77 75.131 2.738 -8.798 1.00 0.00 C ATOM 1228 OXT THR A 77 74.017 5.078 -6.944 1.00 0.00 O ATOM 0 H THR A 77 72.903 1.942 -7.756 1.00 0.00 H new ATOM 0 HA THR A 77 74.354 2.300 -5.469 1.00 0.00 H new ATOM 0 HB THR A 77 75.202 1.091 -7.415 1.00 0.00 H new ATOM 0 HG1 THR A 77 77.300 2.085 -7.544 1.00 0.00 H new ATOM 0 HG21 THR A 77 75.863 2.298 -9.475 1.00 0.00 H new ATOM 0 HG22 THR A 77 74.126 2.500 -9.146 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.261 3.820 -8.777 1.00 0.00 H new TER 1236 THR A 77