USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 693 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 Single : A 5 THR OG1 : rot 23:sc= 0.421 USER MOD Single : A 7 GLN : amide:sc= -2.01 K(o=-2,f=-1.3) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 100:sc= 1.17 USER MOD Single : A 15 LYS NZ :NH3+ -155:sc= -0.0668 (180deg=-0.419) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 21 LYS NZ :NH3+ 146:sc= -0.303 (180deg=-1.37!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.545 K(o=-0.55,f=-2.8!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -3.46 X(o=-3.5,f=-3.8!) USER MOD Single : A 34 HIS : no HD1:sc= -0.684 X(o=-0.68,f=-0.4) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc=9.59e-05 X(o=9.6e-05,f=-0.023) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc=0.000125 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 87:sc= 1.08 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.269 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= -0.14 (180deg=-0.462) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : B 117 GLN : amide:sc= -2.23 K(o=-2.2,f=-7.5!) USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -10.640 -7.951 8.207 1.00 61.30 N ATOM 2 CA THR A 5 -9.614 -7.036 7.741 1.00 44.50 C ATOM 3 C THR A 5 -8.835 -7.641 6.578 1.00 0.24 C ATOM 4 O THR A 5 -8.489 -6.947 5.622 1.00 61.40 O ATOM 5 CB THR A 5 -8.658 -6.690 8.884 1.00 55.10 C ATOM 6 OG1 THR A 5 -9.364 -6.549 10.103 1.00 45.20 O ATOM 7 CG2 THR A 5 -7.885 -5.410 8.651 1.00 72.10 C ATOM 0 HA THR A 5 -10.102 -6.125 7.394 1.00 44.50 H new ATOM 0 HB THR A 5 -7.952 -7.519 8.930 1.00 55.10 H new ATOM 0 HG1 THR A 5 -10.207 -7.045 10.052 1.00 45.20 H new ATOM 0 HG21 THR A 5 -7.226 -5.223 9.499 1.00 72.10 H new ATOM 0 HG22 THR A 5 -7.290 -5.505 7.743 1.00 72.10 H new ATOM 0 HG23 THR A 5 -8.582 -4.579 8.543 1.00 72.10 H new ATOM 15 N LEU A 6 -8.564 -8.939 6.665 1.00 14.20 N ATOM 16 CA LEU A 6 -7.827 -9.638 5.619 1.00 34.50 C ATOM 17 C LEU A 6 -8.594 -9.611 4.302 1.00 73.30 C ATOM 18 O LEU A 6 -8.016 -9.379 3.240 1.00 22.50 O ATOM 19 CB LEU A 6 -7.557 -11.080 6.037 1.00 45.00 C ATOM 20 CG LEU A 6 -6.267 -11.300 6.829 1.00 10.30 C ATOM 21 CD1 LEU A 6 -5.052 -11.060 5.946 1.00 21.20 C ATOM 22 CD2 LEU A 6 -6.231 -10.380 8.046 1.00 31.40 C ATOM 0 H LEU A 6 -8.844 -9.528 7.449 1.00 14.20 H new ATOM 0 HA LEU A 6 -6.876 -9.126 5.473 1.00 34.50 H new ATOM 0 HB2 LEU A 6 -8.397 -11.430 6.637 1.00 45.00 H new ATOM 0 HB3 LEU A 6 -7.524 -11.701 5.141 1.00 45.00 H new ATOM 0 HG LEU A 6 -6.243 -12.334 7.173 1.00 10.30 H new ATOM 0 HD11 LEU A 6 -4.143 -11.221 6.526 1.00 21.20 H new ATOM 0 HD12 LEU A 6 -5.072 -11.751 5.104 1.00 21.20 H new ATOM 0 HD13 LEU A 6 -5.069 -10.035 5.575 1.00 21.20 H new ATOM 0 HD21 LEU A 6 -5.308 -10.547 8.601 1.00 31.40 H new ATOM 0 HD22 LEU A 6 -6.275 -9.341 7.718 1.00 31.40 H new ATOM 0 HD23 LEU A 6 -7.085 -10.594 8.689 1.00 31.40 H new ATOM 34 N GLN A 7 -9.899 -9.848 4.378 1.00 24.10 N ATOM 35 CA GLN A 7 -10.740 -9.851 3.191 1.00 50.30 C ATOM 36 C GLN A 7 -10.710 -8.494 2.495 1.00 64.10 C ATOM 37 O GLN A 7 -10.740 -8.414 1.267 1.00 34.30 O ATOM 38 CB GLN A 7 -12.180 -10.200 3.566 1.00 11.40 C ATOM 39 CG GLN A 7 -12.920 -10.970 2.484 1.00 51.30 C ATOM 40 CD GLN A 7 -12.900 -10.260 1.147 1.00 45.40 C ATOM 41 OE1 GLN A 7 -13.790 -9.459 0.850 1.00 14.40 O ATOM 42 NE2 GLN A 7 -11.900 -10.550 0.331 1.00 74.30 N ATOM 0 H GLN A 7 -10.395 -10.040 5.248 1.00 24.10 H new ATOM 0 HA GLN A 7 -10.350 -10.603 2.505 1.00 50.30 H new ATOM 0 HB2 GLN A 7 -12.175 -10.791 4.482 1.00 11.40 H new ATOM 0 HB3 GLN A 7 -12.724 -9.280 3.782 1.00 11.40 H new ATOM 0 HG2 GLN A 7 -12.471 -11.957 2.374 1.00 51.30 H new ATOM 0 HG3 GLN A 7 -13.954 -11.123 2.794 1.00 51.30 H new ATOM 0 HE21 GLN A 7 -11.185 -11.219 0.618 1.00 74.30 H new ATOM 0 HE22 GLN A 7 -11.844 -10.105 -0.585 1.00 74.30 H new ATOM 51 N LYS A 8 -10.640 -7.430 3.287 1.00 54.50 N ATOM 52 CA LYS A 8 -10.600 -6.076 2.747 1.00 52.50 C ATOM 53 C LYS A 8 -9.200 -5.730 2.251 1.00 31.30 C ATOM 54 O LYS A 8 -9.040 -4.966 1.298 1.00 42.10 O ATOM 55 CB LYS A 8 -11.040 -5.067 3.810 1.00 71.10 C ATOM 56 CG LYS A 8 -12.540 -4.842 3.849 1.00 63.10 C ATOM 57 CD LYS A 8 -12.960 -4.125 5.121 1.00 42.00 C ATOM 58 CE LYS A 8 -14.470 -4.104 5.272 1.00 14.20 C ATOM 59 NZ LYS A 8 -15.060 -2.817 4.809 1.00 24.20 N ATOM 0 H LYS A 8 -10.610 -7.479 4.305 1.00 54.50 H new ATOM 0 HA LYS A 8 -11.288 -6.028 1.903 1.00 52.50 H new ATOM 0 HB2 LYS A 8 -10.707 -5.414 4.788 1.00 71.10 H new ATOM 0 HB3 LYS A 8 -10.543 -4.115 3.623 1.00 71.10 H new ATOM 0 HG2 LYS A 8 -12.844 -4.256 2.982 1.00 63.10 H new ATOM 0 HG3 LYS A 8 -13.055 -5.800 3.783 1.00 63.10 H new ATOM 0 HD2 LYS A 8 -12.513 -4.620 5.984 1.00 42.00 H new ATOM 0 HD3 LYS A 8 -12.580 -3.103 5.107 1.00 42.00 H new ATOM 0 HE2 LYS A 8 -14.903 -4.927 4.703 1.00 14.20 H new ATOM 0 HE3 LYS A 8 -14.732 -4.267 6.317 1.00 14.20 H new ATOM 0 HZ1 LYS A 8 -16.093 -2.845 4.930 1.00 24.20 H new ATOM 0 HZ2 LYS A 8 -14.667 -2.034 5.369 1.00 24.20 H new ATOM 0 HZ3 LYS A 8 -14.833 -2.672 3.805 1.00 24.20 H new ATOM 73 N ALA A 9 -8.189 -6.296 2.902 1.00 21.10 N ATOM 74 CA ALA A 9 -6.803 -6.047 2.526 1.00 22.20 C ATOM 75 C ALA A 9 -6.514 -6.567 1.122 1.00 45.30 C ATOM 76 O ALA A 9 -5.796 -5.931 0.350 1.00 32.10 O ATOM 77 CB ALA A 9 -5.860 -6.690 3.533 1.00 54.10 C ATOM 0 H ALA A 9 -8.304 -6.930 3.693 1.00 21.10 H new ATOM 0 HA ALA A 9 -6.639 -4.969 2.527 1.00 22.20 H new ATOM 0 HB1 ALA A 9 -4.828 -6.496 3.240 1.00 54.10 H new ATOM 0 HB2 ALA A 9 -6.042 -6.269 4.522 1.00 54.10 H new ATOM 0 HB3 ALA A 9 -6.034 -7.766 3.559 1.00 54.10 H new ATOM 83 N ILE A 10 -7.078 -7.725 0.797 1.00 32.40 N ATOM 84 CA ILE A 10 -6.881 -8.330 -0.514 1.00 33.40 C ATOM 85 C ILE A 10 -7.754 -7.656 -1.567 1.00 1.54 C ATOM 86 O ILE A 10 -7.291 -7.342 -2.663 1.00 35.10 O ATOM 87 CB ILE A 10 -7.196 -9.838 -0.492 1.00 64.50 C ATOM 88 CG1 ILE A 10 -6.494 -10.510 0.688 1.00 63.10 C ATOM 89 CG2 ILE A 10 -6.781 -10.480 -1.804 1.00 43.30 C ATOM 90 CD1 ILE A 10 -7.037 -11.880 1.010 1.00 62.40 C ATOM 0 H ILE A 10 -7.676 -8.263 1.424 1.00 32.40 H new ATOM 0 HA ILE A 10 -5.831 -8.190 -0.771 1.00 33.40 H new ATOM 0 HB ILE A 10 -8.271 -9.972 -0.370 1.00 64.50 H new ATOM 0 HG12 ILE A 10 -5.430 -10.592 0.468 1.00 63.10 H new ATOM 0 HG13 ILE A 10 -6.590 -9.874 1.568 1.00 63.10 H new ATOM 0 HG21 ILE A 10 -7.009 -11.546 -1.776 1.00 43.30 H new ATOM 0 HG22 ILE A 10 -7.326 -10.014 -2.625 1.00 43.30 H new ATOM 0 HG23 ILE A 10 -5.710 -10.342 -1.954 1.00 43.30 H new ATOM 0 HD11 ILE A 10 -6.493 -12.297 1.857 1.00 62.40 H new ATOM 0 HD12 ILE A 10 -8.095 -11.802 1.261 1.00 62.40 H new ATOM 0 HD13 ILE A 10 -6.916 -12.532 0.145 1.00 62.40 H new ATOM 102 N ASP A 11 -9.020 -7.437 -1.226 1.00 24.30 N ATOM 103 CA ASP A 11 -9.959 -6.800 -2.142 1.00 43.30 C ATOM 104 C ASP A 11 -9.472 -5.410 -2.542 1.00 41.20 C ATOM 105 O ASP A 11 -9.730 -4.947 -3.653 1.00 34.40 O ATOM 106 CB ASP A 11 -11.340 -6.702 -1.500 1.00 73.50 C ATOM 107 CG ASP A 11 -12.460 -6.804 -2.519 1.00 43.30 C ATOM 108 OD1 ASP A 11 -12.430 -6.044 -3.509 1.00 71.40 O ATOM 109 OD2 ASP A 11 -13.360 -7.645 -2.326 1.00 62.20 O ATOM 0 H ASP A 11 -9.419 -7.691 -0.322 1.00 24.30 H new ATOM 0 HA ASP A 11 -10.025 -7.414 -3.040 1.00 43.30 H new ATOM 0 HB2 ASP A 11 -11.451 -7.496 -0.761 1.00 73.50 H new ATOM 0 HB3 ASP A 11 -11.423 -5.755 -0.966 1.00 73.50 H new ATOM 114 N LEU A 12 -8.767 -4.751 -1.629 1.00 11.10 N ATOM 115 CA LEU A 12 -8.244 -3.414 -1.886 1.00 70.40 C ATOM 116 C LEU A 12 -7.083 -3.466 -2.873 1.00 43.20 C ATOM 117 O LEU A 12 -7.109 -2.807 -3.913 1.00 52.10 O ATOM 118 CB LEU A 12 -7.790 -2.761 -0.579 1.00 30.20 C ATOM 119 CG LEU A 12 -8.918 -2.216 0.298 1.00 62.20 C ATOM 120 CD1 LEU A 12 -8.454 -2.080 1.740 1.00 21.10 C ATOM 121 CD2 LEU A 12 -9.408 -0.878 -0.235 1.00 21.50 C ATOM 0 H LEU A 12 -8.545 -5.121 -0.705 1.00 11.10 H new ATOM 0 HA LEU A 12 -9.043 -2.816 -2.324 1.00 70.40 H new ATOM 0 HB2 LEU A 12 -7.223 -3.492 -0.003 1.00 30.20 H new ATOM 0 HB3 LEU A 12 -7.108 -1.945 -0.816 1.00 30.20 H new ATOM 0 HG LEU A 12 -9.748 -2.922 0.270 1.00 62.20 H new ATOM 0 HD11 LEU A 12 -9.270 -1.691 2.349 1.00 21.10 H new ATOM 0 HD12 LEU A 12 -8.152 -3.056 2.119 1.00 21.10 H new ATOM 0 HD13 LEU A 12 -7.607 -1.395 1.787 1.00 21.10 H new ATOM 0 HD21 LEU A 12 -10.211 -0.505 0.401 1.00 21.50 H new ATOM 0 HD22 LEU A 12 -8.585 -0.164 -0.237 1.00 21.50 H new ATOM 0 HD23 LEU A 12 -9.780 -1.006 -1.251 1.00 21.50 H new ATOM 133 N VAL A 13 -6.065 -4.253 -2.541 1.00 14.10 N ATOM 134 CA VAL A 13 -4.894 -4.390 -3.398 1.00 21.30 C ATOM 135 C VAL A 13 -5.281 -4.933 -4.771 1.00 71.50 C ATOM 136 O VAL A 13 -4.692 -4.558 -5.786 1.00 21.30 O ATOM 137 CB VAL A 13 -3.841 -5.320 -2.763 1.00 65.10 C ATOM 138 CG1 VAL A 13 -4.401 -6.722 -2.578 1.00 51.10 C ATOM 139 CG2 VAL A 13 -2.576 -5.350 -3.607 1.00 14.30 C ATOM 0 H VAL A 13 -6.028 -4.806 -1.684 1.00 14.10 H new ATOM 0 HA VAL A 13 -4.464 -3.395 -3.513 1.00 21.30 H new ATOM 0 HB VAL A 13 -3.586 -4.926 -1.779 1.00 65.10 H new ATOM 0 HG11 VAL A 13 -3.641 -7.361 -2.129 1.00 51.10 H new ATOM 0 HG12 VAL A 13 -5.273 -6.682 -1.926 1.00 51.10 H new ATOM 0 HG13 VAL A 13 -4.690 -7.129 -3.547 1.00 51.10 H new ATOM 0 HG21 VAL A 13 -1.845 -6.012 -3.143 1.00 14.30 H new ATOM 0 HG22 VAL A 13 -2.814 -5.716 -4.606 1.00 14.30 H new ATOM 0 HG23 VAL A 13 -2.162 -4.344 -3.678 1.00 14.30 H new ATOM 149 N THR A 14 -6.273 -5.816 -4.796 1.00 53.40 N ATOM 150 CA THR A 14 -6.738 -6.409 -6.044 1.00 21.20 C ATOM 151 C THR A 14 -7.239 -5.333 -7.002 1.00 72.30 C ATOM 152 O THR A 14 -6.877 -5.318 -8.179 1.00 51.10 O ATOM 153 CB THR A 14 -7.850 -7.424 -5.769 1.00 55.40 C ATOM 154 OG1 THR A 14 -7.396 -8.441 -4.894 1.00 32.40 O ATOM 155 CG2 THR A 14 -8.372 -8.096 -7.021 1.00 75.10 C ATOM 0 H THR A 14 -6.771 -6.137 -3.966 1.00 53.40 H new ATOM 0 HA THR A 14 -5.897 -6.922 -6.510 1.00 21.20 H new ATOM 0 HB THR A 14 -8.660 -6.849 -5.320 1.00 55.40 H new ATOM 0 HG1 THR A 14 -7.706 -8.252 -3.984 1.00 32.40 H new ATOM 0 HG21 THR A 14 -9.158 -8.803 -6.754 1.00 75.10 H new ATOM 0 HG22 THR A 14 -8.776 -7.342 -7.697 1.00 75.10 H new ATOM 0 HG23 THR A 14 -7.558 -8.627 -7.515 1.00 75.10 H new ATOM 163 N LYS A 15 -8.073 -4.434 -6.490 1.00 64.00 N ATOM 164 CA LYS A 15 -8.622 -3.353 -7.300 1.00 64.30 C ATOM 165 C LYS A 15 -7.510 -2.459 -7.838 1.00 11.20 C ATOM 166 O LYS A 15 -7.623 -1.898 -8.928 1.00 11.50 O ATOM 167 CB LYS A 15 -9.609 -2.522 -6.478 1.00 64.00 C ATOM 168 CG LYS A 15 -10.860 -3.282 -6.085 1.00 72.10 C ATOM 169 CD LYS A 15 -11.970 -3.093 -7.108 1.00 52.30 C ATOM 170 CE LYS A 15 -12.960 -2.025 -6.668 1.00 60.10 C ATOM 171 NZ LYS A 15 -13.720 -2.438 -5.456 1.00 44.30 N ATOM 0 H LYS A 15 -8.383 -4.433 -5.518 1.00 64.00 H new ATOM 0 HA LYS A 15 -9.148 -3.796 -8.145 1.00 64.30 H new ATOM 0 HB2 LYS A 15 -9.110 -2.168 -5.576 1.00 64.00 H new ATOM 0 HB3 LYS A 15 -9.895 -1.640 -7.051 1.00 64.00 H new ATOM 0 HG2 LYS A 15 -10.628 -4.343 -5.990 1.00 72.10 H new ATOM 0 HG3 LYS A 15 -11.202 -2.942 -5.108 1.00 72.10 H new ATOM 0 HD2 LYS A 15 -11.537 -2.815 -8.069 1.00 52.30 H new ATOM 0 HD3 LYS A 15 -12.494 -4.037 -7.256 1.00 52.30 H new ATOM 0 HE2 LYS A 15 -12.426 -1.097 -6.463 1.00 60.10 H new ATOM 0 HE3 LYS A 15 -13.657 -1.819 -7.481 1.00 60.10 H new ATOM 0 HZ1 LYS A 15 -14.629 -1.934 -5.428 1.00 44.30 H new ATOM 0 HZ2 LYS A 15 -13.893 -3.463 -5.488 1.00 44.30 H new ATOM 0 HZ3 LYS A 15 -13.169 -2.206 -4.605 1.00 44.30 H new ATOM 185 N ALA A 16 -6.436 -2.331 -7.066 1.00 32.40 N ATOM 186 CA ALA A 16 -5.302 -1.506 -7.464 1.00 64.20 C ATOM 187 C ALA A 16 -4.558 -2.127 -8.641 1.00 14.30 C ATOM 188 O ALA A 16 -4.114 -1.424 -9.549 1.00 25.20 O ATOM 189 CB ALA A 16 -4.358 -1.303 -6.289 1.00 42.20 C ATOM 0 H ALA A 16 -6.327 -2.788 -6.161 1.00 32.40 H new ATOM 0 HA ALA A 16 -5.684 -0.535 -7.780 1.00 64.20 H new ATOM 0 HB1 ALA A 16 -3.516 -0.685 -6.601 1.00 42.20 H new ATOM 0 HB2 ALA A 16 -4.890 -0.808 -5.476 1.00 42.20 H new ATOM 0 HB3 ALA A 16 -3.991 -2.270 -5.946 1.00 42.20 H new ATOM 195 N THR A 17 -4.426 -3.449 -8.619 1.00 44.50 N ATOM 196 CA THR A 17 -3.736 -4.167 -9.685 1.00 55.40 C ATOM 197 C THR A 17 -4.425 -3.941 -11.020 1.00 54.10 C ATOM 198 O THR A 17 -3.774 -3.645 -12.020 1.00 50.10 O ATOM 199 CB THR A 17 -3.684 -5.663 -9.370 1.00 31.10 C ATOM 200 OG1 THR A 17 -3.845 -5.890 -7.981 1.00 72.20 O ATOM 201 CG2 THR A 17 -2.388 -6.319 -9.794 1.00 24.30 C ATOM 0 H THR A 17 -4.788 -4.045 -7.875 1.00 44.50 H new ATOM 0 HA THR A 17 -2.718 -3.783 -9.751 1.00 55.40 H new ATOM 0 HB THR A 17 -4.501 -6.106 -9.940 1.00 31.10 H new ATOM 0 HG1 THR A 17 -3.810 -6.853 -7.801 1.00 72.20 H new ATOM 0 HG21 THR A 17 -2.417 -7.379 -9.542 1.00 24.30 H new ATOM 0 HG22 THR A 17 -2.258 -6.206 -10.870 1.00 24.30 H new ATOM 0 HG23 THR A 17 -1.554 -5.846 -9.276 1.00 24.30 H new ATOM 209 N GLU A 18 -5.747 -4.082 -11.030 1.00 54.40 N ATOM 210 CA GLU A 18 -6.527 -3.893 -12.250 1.00 72.30 C ATOM 211 C GLU A 18 -6.351 -2.478 -12.790 1.00 30.30 C ATOM 212 O GLU A 18 -6.279 -2.270 -14.000 1.00 43.40 O ATOM 213 CB GLU A 18 -8.009 -4.167 -11.990 1.00 72.20 C ATOM 214 CG GLU A 18 -8.257 -5.381 -11.110 1.00 34.00 C ATOM 215 CD GLU A 18 -9.686 -5.881 -11.190 1.00 64.30 C ATOM 216 OE1 GLU A 18 -10.180 -6.075 -12.320 1.00 4.21 O ATOM 217 OE2 GLU A 18 -10.310 -6.077 -10.130 1.00 2.11 O ATOM 0 H GLU A 18 -6.301 -4.326 -10.209 1.00 54.40 H new ATOM 0 HA GLU A 18 -6.162 -4.601 -12.994 1.00 72.30 H new ATOM 0 HB2 GLU A 18 -8.455 -3.291 -11.520 1.00 72.20 H new ATOM 0 HB3 GLU A 18 -8.516 -4.310 -12.944 1.00 72.20 H new ATOM 0 HG2 GLU A 18 -7.579 -6.182 -11.404 1.00 34.00 H new ATOM 0 HG3 GLU A 18 -8.022 -5.129 -10.076 1.00 34.00 H new ATOM 224 N GLU A 19 -6.283 -1.510 -11.890 1.00 35.30 N ATOM 225 CA GLU A 19 -6.115 -0.113 -12.270 1.00 3.24 C ATOM 226 C GLU A 19 -4.720 0.130 -12.840 1.00 71.50 C ATOM 227 O GLU A 19 -4.568 0.716 -13.910 1.00 22.20 O ATOM 228 CB GLU A 19 -6.356 0.801 -11.070 1.00 64.30 C ATOM 229 CG GLU A 19 -7.819 1.157 -10.860 1.00 70.40 C ATOM 230 CD GLU A 19 -8.710 -0.066 -10.770 1.00 44.40 C ATOM 231 OE1 GLU A 19 -8.782 -0.821 -11.760 1.00 5.54 O ATOM 232 OE2 GLU A 19 -9.336 -0.269 -9.715 1.00 50.30 O ATOM 0 H GLU A 19 -6.342 -1.666 -10.884 1.00 35.30 H new ATOM 0 HA GLU A 19 -6.850 0.117 -13.041 1.00 3.24 H new ATOM 0 HB2 GLU A 19 -5.977 0.315 -10.171 1.00 64.30 H new ATOM 0 HB3 GLU A 19 -5.783 1.719 -11.202 1.00 64.30 H new ATOM 0 HG2 GLU A 19 -7.919 1.743 -9.946 1.00 70.40 H new ATOM 0 HG3 GLU A 19 -8.157 1.788 -11.682 1.00 70.40 H new ATOM 239 N ASP A 20 -3.704 -0.325 -12.110 1.00 20.40 N ATOM 240 CA ASP A 20 -2.320 -0.157 -12.540 1.00 33.20 C ATOM 241 C ASP A 20 -2.093 -0.793 -13.910 1.00 44.20 C ATOM 242 O ASP A 20 -1.298 -0.300 -14.710 1.00 44.10 O ATOM 243 CB ASP A 20 -1.367 -0.773 -11.520 1.00 52.00 C ATOM 244 CG ASP A 20 0.022 -0.168 -11.580 1.00 22.30 C ATOM 245 OD1 ASP A 20 0.387 0.367 -12.650 1.00 12.10 O ATOM 246 OD2 ASP A 20 0.743 -0.228 -10.570 1.00 21.20 O ATOM 0 H ASP A 20 -3.814 -0.812 -11.220 1.00 20.40 H new ATOM 0 HA ASP A 20 -2.120 0.912 -12.616 1.00 33.20 H new ATOM 0 HB2 ASP A 20 -1.775 -0.637 -10.519 1.00 52.00 H new ATOM 0 HB3 ASP A 20 -1.299 -1.847 -11.694 1.00 52.00 H new ATOM 251 N LYS A 21 -2.798 -1.889 -14.170 1.00 61.40 N ATOM 252 CA LYS A 21 -2.673 -2.592 -15.450 1.00 74.10 C ATOM 253 C LYS A 21 -3.637 -2.022 -16.480 1.00 70.10 C ATOM 254 O LYS A 21 -3.390 -2.107 -17.690 1.00 62.40 O ATOM 255 CB LYS A 21 -2.933 -4.088 -15.250 1.00 13.00 C ATOM 256 CG LYS A 21 -4.376 -4.419 -14.910 1.00 24.10 C ATOM 257 CD LYS A 21 -4.542 -5.890 -14.560 1.00 32.30 C ATOM 258 CE LYS A 21 -5.855 -6.442 -15.090 1.00 60.30 C ATOM 259 NZ LYS A 21 -6.006 -6.209 -16.550 1.00 32.20 N ATOM 0 H LYS A 21 -3.459 -2.311 -13.518 1.00 61.40 H new ATOM 0 HA LYS A 21 -1.659 -2.452 -15.823 1.00 74.10 H new ATOM 0 HB2 LYS A 21 -2.652 -4.621 -16.158 1.00 13.00 H new ATOM 0 HB3 LYS A 21 -2.288 -4.456 -14.452 1.00 13.00 H new ATOM 0 HG2 LYS A 21 -4.703 -3.805 -14.071 1.00 24.10 H new ATOM 0 HG3 LYS A 21 -5.017 -4.171 -15.756 1.00 24.10 H new ATOM 0 HD2 LYS A 21 -3.712 -6.460 -14.976 1.00 32.30 H new ATOM 0 HD3 LYS A 21 -4.504 -6.015 -13.478 1.00 32.30 H new ATOM 0 HE2 LYS A 21 -5.908 -7.511 -14.886 1.00 60.30 H new ATOM 0 HE3 LYS A 21 -6.685 -5.975 -14.560 1.00 60.30 H new ATOM 0 HZ1 LYS A 21 -6.522 -7.005 -16.977 1.00 32.20 H new ATOM 0 HZ2 LYS A 21 -6.536 -5.328 -16.708 1.00 32.20 H new ATOM 0 HZ3 LYS A 21 -5.066 -6.131 -16.988 1.00 32.20 H new ATOM 273 N ALA A 22 -4.737 -1.443 -16.010 1.00 51.30 N ATOM 274 CA ALA A 22 -5.737 -0.862 -16.900 1.00 21.20 C ATOM 275 C ALA A 22 -5.541 0.644 -17.040 1.00 33.40 C ATOM 276 O ALA A 22 -6.501 1.387 -17.250 1.00 0.51 O ATOM 277 CB ALA A 22 -7.137 -1.168 -16.390 1.00 11.30 C ATOM 0 H ALA A 22 -4.959 -1.363 -15.018 1.00 51.30 H new ATOM 0 HA ALA A 22 -5.614 -1.310 -17.886 1.00 21.20 H new ATOM 0 HB1 ALA A 22 -7.873 -0.729 -17.063 1.00 11.30 H new ATOM 0 HB2 ALA A 22 -7.281 -2.248 -16.349 1.00 11.30 H new ATOM 0 HB3 ALA A 22 -7.261 -0.747 -15.392 1.00 11.30 H new ATOM 283 N LYS A 23 -4.294 1.088 -16.930 1.00 4.44 N ATOM 284 CA LYS A 23 -3.974 2.506 -17.050 1.00 10.30 C ATOM 285 C LYS A 23 -4.714 3.325 -16.000 1.00 35.30 C ATOM 286 O LYS A 23 -5.633 4.080 -16.310 1.00 42.40 O ATOM 287 CB LYS A 23 -4.328 3.014 -18.450 1.00 54.40 C ATOM 288 CG LYS A 23 -3.718 2.186 -19.570 1.00 22.00 C ATOM 289 CD LYS A 23 -2.213 2.382 -19.650 1.00 50.30 C ATOM 290 CE LYS A 23 -1.604 1.557 -20.770 1.00 23.40 C ATOM 291 NZ LYS A 23 -0.119 1.674 -20.810 1.00 2.42 N ATOM 0 H LYS A 23 -3.488 0.487 -16.758 1.00 4.44 H new ATOM 0 HA LYS A 23 -2.903 2.624 -16.886 1.00 10.30 H new ATOM 0 HB2 LYS A 23 -5.412 3.019 -18.562 1.00 54.40 H new ATOM 0 HB3 LYS A 23 -3.993 4.046 -18.548 1.00 54.40 H new ATOM 0 HG2 LYS A 23 -3.941 1.131 -19.407 1.00 22.00 H new ATOM 0 HG3 LYS A 23 -4.174 2.465 -20.520 1.00 22.00 H new ATOM 0 HD2 LYS A 23 -1.990 3.437 -19.811 1.00 50.30 H new ATOM 0 HD3 LYS A 23 -1.757 2.101 -18.700 1.00 50.30 H new ATOM 0 HE2 LYS A 23 -1.881 0.511 -20.641 1.00 23.40 H new ATOM 0 HE3 LYS A 23 -2.018 1.881 -21.725 1.00 23.40 H new ATOM 0 HZ1 LYS A 23 0.254 1.095 -21.589 1.00 2.42 H new ATOM 0 HZ2 LYS A 23 0.147 2.668 -20.959 1.00 2.42 H new ATOM 0 HZ3 LYS A 23 0.280 1.341 -19.909 1.00 2.42 H new ATOM 305 N ASN A 24 -4.306 3.169 -14.740 1.00 33.20 N ATOM 306 CA ASN A 24 -4.928 3.895 -13.640 1.00 12.20 C ATOM 307 C ASN A 24 -3.992 3.959 -12.440 1.00 50.30 C ATOM 308 O ASN A 24 -4.205 3.277 -11.430 1.00 71.40 O ATOM 309 CB ASN A 24 -6.248 3.230 -13.240 1.00 21.40 C ATOM 310 CG ASN A 24 -7.434 3.811 -13.990 1.00 32.10 C ATOM 311 OD1 ASN A 24 -7.401 4.958 -14.430 1.00 72.30 O ATOM 312 ND2 ASN A 24 -8.492 3.019 -14.120 1.00 41.40 N ATOM 0 H ASN A 24 -3.548 2.546 -14.459 1.00 33.20 H new ATOM 0 HA ASN A 24 -5.133 4.912 -13.976 1.00 12.20 H new ATOM 0 HB2 ASN A 24 -6.187 2.159 -13.434 1.00 21.40 H new ATOM 0 HB3 ASN A 24 -6.404 3.351 -12.168 1.00 21.40 H new ATOM 0 HD21 ASN A 24 -9.325 3.356 -14.602 1.00 41.40 H new ATOM 0 HD22 ASN A 24 -8.472 2.074 -13.737 1.00 41.40 H new ATOM 319 N TYR A 25 -2.956 4.783 -12.540 1.00 1.22 N ATOM 320 CA TYR A 25 -1.986 4.938 -11.470 1.00 33.30 C ATOM 321 C TYR A 25 -2.593 5.698 -10.290 1.00 2.41 C ATOM 322 O TYR A 25 -2.296 5.409 -9.137 1.00 4.21 O ATOM 323 CB TYR A 25 -0.741 5.669 -11.970 1.00 11.30 C ATOM 324 CG TYR A 25 -0.248 5.170 -13.310 1.00 13.40 C ATOM 325 CD1 TYR A 25 0.630 4.096 -13.390 1.00 31.00 C ATOM 326 CD2 TYR A 25 -0.660 5.772 -14.490 1.00 62.50 C ATOM 327 CE1 TYR A 25 1.083 3.637 -14.620 1.00 42.30 C ATOM 328 CE2 TYR A 25 -0.212 5.319 -15.720 1.00 5.24 C ATOM 329 CZ TYR A 25 0.659 4.251 -15.780 1.00 1.43 C ATOM 330 OH TYR A 25 1.107 3.797 -17.000 1.00 75.30 O ATOM 0 H TYR A 25 -2.768 5.358 -13.361 1.00 1.22 H new ATOM 0 HA TYR A 25 -1.699 3.941 -11.135 1.00 33.30 H new ATOM 0 HB2 TYR A 25 -0.960 6.734 -12.046 1.00 11.30 H new ATOM 0 HB3 TYR A 25 0.056 5.559 -11.234 1.00 11.30 H new ATOM 0 HD1 TYR A 25 0.964 3.612 -12.484 1.00 31.00 H new ATOM 0 HD2 TYR A 25 -1.342 6.608 -14.449 1.00 62.50 H new ATOM 0 HE1 TYR A 25 1.766 2.801 -14.668 1.00 42.30 H new ATOM 0 HE2 TYR A 25 -0.543 5.800 -16.628 1.00 5.24 H new ATOM 0 HH TYR A 25 0.712 4.338 -17.715 1.00 75.30 H new ATOM 340 N GLU A 26 -3.445 6.670 -10.600 1.00 32.40 N ATOM 341 CA GLU A 26 -4.094 7.472 -9.573 1.00 54.40 C ATOM 342 C GLU A 26 -5.085 6.632 -8.774 1.00 42.40 C ATOM 343 O GLU A 26 -5.235 6.812 -7.566 1.00 53.40 O ATOM 344 CB GLU A 26 -4.813 8.666 -10.200 1.00 65.10 C ATOM 345 CG GLU A 26 -5.945 8.271 -11.130 1.00 54.30 C ATOM 346 CD GLU A 26 -6.101 9.228 -12.300 1.00 21.10 C ATOM 347 OE1 GLU A 26 -6.782 10.262 -12.130 1.00 14.30 O ATOM 348 OE2 GLU A 26 -5.543 8.944 -13.380 1.00 14.30 O ATOM 0 H GLU A 26 -3.701 6.920 -11.555 1.00 32.40 H new ATOM 0 HA GLU A 26 -3.322 7.839 -8.896 1.00 54.40 H new ATOM 0 HB2 GLU A 26 -5.210 9.299 -9.406 1.00 65.10 H new ATOM 0 HB3 GLU A 26 -4.090 9.265 -10.754 1.00 65.10 H new ATOM 0 HG2 GLU A 26 -5.764 7.265 -11.510 1.00 54.30 H new ATOM 0 HG3 GLU A 26 -6.878 8.236 -10.567 1.00 54.30 H new ATOM 355 N GLU A 27 -5.759 5.713 -9.457 1.00 74.30 N ATOM 356 CA GLU A 27 -6.736 4.844 -8.811 1.00 22.30 C ATOM 357 C GLU A 27 -6.052 3.651 -8.151 1.00 53.10 C ATOM 358 O GLU A 27 -6.520 3.139 -7.134 1.00 35.10 O ATOM 359 CB GLU A 27 -7.767 4.355 -9.830 1.00 3.33 C ATOM 360 CG GLU A 27 -9.041 3.819 -9.197 1.00 52.10 C ATOM 361 CD GLU A 27 -10.010 3.262 -10.220 1.00 1.20 C ATOM 362 OE1 GLU A 27 -10.350 3.994 -11.170 1.00 14.50 O ATOM 363 OE2 GLU A 27 -10.420 2.093 -10.070 1.00 11.10 O ATOM 0 H GLU A 27 -5.647 5.551 -10.458 1.00 74.30 H new ATOM 0 HA GLU A 27 -7.244 5.422 -8.039 1.00 22.30 H new ATOM 0 HB2 GLU A 27 -8.022 5.177 -10.500 1.00 3.33 H new ATOM 0 HB3 GLU A 27 -7.318 3.573 -10.442 1.00 3.33 H new ATOM 0 HG2 GLU A 27 -8.786 3.038 -8.481 1.00 52.10 H new ATOM 0 HG3 GLU A 27 -9.528 4.618 -8.638 1.00 52.10 H new ATOM 370 N ALA A 28 -4.941 3.215 -8.735 1.00 41.40 N ATOM 371 CA ALA A 28 -4.192 2.083 -8.203 1.00 63.10 C ATOM 372 C ALA A 28 -3.510 2.444 -6.888 1.00 52.50 C ATOM 373 O ALA A 28 -3.321 1.591 -6.020 1.00 23.10 O ATOM 374 CB ALA A 28 -3.165 1.606 -9.219 1.00 11.20 C ATOM 0 H ALA A 28 -4.540 3.628 -9.577 1.00 41.40 H new ATOM 0 HA ALA A 28 -4.896 1.274 -8.006 1.00 63.10 H new ATOM 0 HB1 ALA A 28 -2.613 0.760 -8.809 1.00 11.20 H new ATOM 0 HB2 ALA A 28 -3.673 1.299 -10.133 1.00 11.20 H new ATOM 0 HB3 ALA A 28 -2.472 2.417 -9.444 1.00 11.20 H new ATOM 380 N LEU A 29 -3.141 3.713 -6.746 1.00 22.40 N ATOM 381 CA LEU A 29 -2.478 4.186 -5.537 1.00 2.03 C ATOM 382 C LEU A 29 -3.445 4.202 -4.357 1.00 13.20 C ATOM 383 O LEU A 29 -3.123 3.718 -3.272 1.00 73.40 O ATOM 384 CB LEU A 29 -1.902 5.587 -5.761 1.00 32.50 C ATOM 385 CG LEU A 29 -0.920 6.067 -4.689 1.00 3.03 C ATOM 386 CD1 LEU A 29 -1.654 6.392 -3.398 1.00 72.30 C ATOM 387 CD2 LEU A 29 0.157 5.021 -4.444 1.00 60.40 C ATOM 0 H LEU A 29 -3.290 4.432 -7.454 1.00 22.40 H new ATOM 0 HA LEU A 29 -1.664 3.499 -5.306 1.00 2.03 H new ATOM 0 HB2 LEU A 29 -1.398 5.605 -6.727 1.00 32.50 H new ATOM 0 HB3 LEU A 29 -2.727 6.297 -5.819 1.00 32.50 H new ATOM 0 HG LEU A 29 -0.439 6.977 -5.047 1.00 3.03 H new ATOM 0 HD11 LEU A 29 -0.939 6.731 -2.648 1.00 72.30 H new ATOM 0 HD12 LEU A 29 -2.386 7.178 -3.584 1.00 72.30 H new ATOM 0 HD13 LEU A 29 -2.164 5.500 -3.035 1.00 72.30 H new ATOM 0 HD21 LEU A 29 0.846 5.380 -3.679 1.00 60.40 H new ATOM 0 HD22 LEU A 29 -0.306 4.093 -4.108 1.00 60.40 H new ATOM 0 HD23 LEU A 29 0.705 4.839 -5.369 1.00 60.40 H new ATOM 399 N ARG A 30 -4.630 4.763 -4.576 1.00 61.50 N ATOM 400 CA ARG A 30 -5.643 4.842 -3.529 1.00 0.12 C ATOM 401 C ARG A 30 -6.023 3.451 -3.033 1.00 72.40 C ATOM 402 O ARG A 30 -6.269 3.251 -1.843 1.00 41.10 O ATOM 403 CB ARG A 30 -6.885 5.569 -4.047 1.00 33.10 C ATOM 404 CG ARG A 30 -7.464 4.959 -5.313 1.00 74.20 C ATOM 405 CD ARG A 30 -8.809 5.575 -5.663 1.00 11.00 C ATOM 406 NE ARG A 30 -9.696 4.617 -6.318 1.00 60.20 N ATOM 407 CZ ARG A 30 -11.010 4.772 -6.413 1.00 51.20 C ATOM 408 NH1 ARG A 30 -11.600 5.845 -5.898 1.00 70.10 N ATOM 409 NH2 ARG A 30 -11.740 3.852 -7.025 1.00 73.10 N ATOM 0 H ARG A 30 -4.912 5.169 -5.468 1.00 61.50 H new ATOM 0 HA ARG A 30 -5.224 5.403 -2.694 1.00 0.12 H new ATOM 0 HB2 ARG A 30 -7.649 5.565 -3.269 1.00 33.10 H new ATOM 0 HB3 ARG A 30 -6.632 6.612 -4.239 1.00 33.10 H new ATOM 0 HG2 ARG A 30 -6.769 5.106 -6.140 1.00 74.20 H new ATOM 0 HG3 ARG A 30 -7.579 3.883 -5.180 1.00 74.20 H new ATOM 0 HD2 ARG A 30 -9.284 5.947 -4.756 1.00 11.00 H new ATOM 0 HD3 ARG A 30 -8.655 6.433 -6.317 1.00 11.00 H new ATOM 0 HE ARG A 30 -9.281 3.780 -6.726 1.00 60.20 H new ATOM 0 HH11 ARG A 30 -11.042 6.556 -5.426 1.00 70.10 H new ATOM 0 HH12 ARG A 30 -12.611 5.957 -5.975 1.00 70.10 H new ATOM 0 HH21 ARG A 30 -11.292 3.026 -7.422 1.00 73.10 H new ATOM 0 HH22 ARG A 30 -12.751 3.969 -7.099 1.00 73.10 H new ATOM 423 N LEU A 31 -6.069 2.492 -3.952 1.00 31.30 N ATOM 424 CA LEU A 31 -6.419 1.119 -3.606 1.00 41.30 C ATOM 425 C LEU A 31 -5.252 0.417 -2.919 1.00 61.20 C ATOM 426 O LEU A 31 -5.451 -0.448 -2.066 1.00 34.40 O ATOM 427 CB LEU A 31 -6.831 0.344 -4.861 1.00 12.10 C ATOM 428 CG LEU A 31 -8.335 0.305 -5.133 1.00 33.30 C ATOM 429 CD1 LEU A 31 -9.077 -0.291 -3.946 1.00 3.00 C ATOM 430 CD2 LEU A 31 -8.857 1.699 -5.444 1.00 51.00 C ATOM 0 H LEU A 31 -5.869 2.640 -4.941 1.00 31.30 H new ATOM 0 HA LEU A 31 -7.260 1.147 -2.913 1.00 41.30 H new ATOM 0 HB2 LEU A 31 -6.333 0.787 -5.723 1.00 12.10 H new ATOM 0 HB3 LEU A 31 -6.466 -0.679 -4.774 1.00 12.10 H new ATOM 0 HG LEU A 31 -8.511 -0.330 -6.002 1.00 33.30 H new ATOM 0 HD11 LEU A 31 -10.146 -0.311 -4.158 1.00 3.00 H new ATOM 0 HD12 LEU A 31 -8.723 -1.307 -3.769 1.00 3.00 H new ATOM 0 HD13 LEU A 31 -8.894 0.317 -3.060 1.00 3.00 H new ATOM 0 HD21 LEU A 31 -9.929 1.652 -5.635 1.00 51.00 H new ATOM 0 HD22 LEU A 31 -8.668 2.356 -4.595 1.00 51.00 H new ATOM 0 HD23 LEU A 31 -8.348 2.090 -6.325 1.00 51.00 H new ATOM 442 N TYR A 32 -4.035 0.796 -3.296 1.00 64.20 N ATOM 443 CA TYR A 32 -2.836 0.203 -2.716 1.00 31.30 C ATOM 444 C TYR A 32 -2.627 0.687 -1.285 1.00 55.40 C ATOM 445 O TYR A 32 -2.290 -0.096 -0.397 1.00 75.30 O ATOM 446 CB TYR A 32 -1.611 0.543 -3.566 1.00 21.40 C ATOM 447 CG TYR A 32 -1.325 -0.471 -4.650 1.00 4.22 C ATOM 448 CD1 TYR A 32 -1.322 -1.832 -4.372 1.00 20.10 C ATOM 449 CD2 TYR A 32 -1.057 -0.067 -5.952 1.00 71.10 C ATOM 450 CE1 TYR A 32 -1.061 -2.762 -5.360 1.00 63.30 C ATOM 451 CE2 TYR A 32 -0.796 -0.991 -6.946 1.00 40.20 C ATOM 452 CZ TYR A 32 -0.799 -2.337 -6.645 1.00 4.44 C ATOM 453 OH TYR A 32 -0.538 -3.260 -7.632 1.00 23.20 O ATOM 0 H TYR A 32 -3.853 1.511 -4.000 1.00 64.20 H new ATOM 0 HA TYR A 32 -2.968 -0.879 -2.699 1.00 31.30 H new ATOM 0 HB2 TYR A 32 -1.758 1.521 -4.025 1.00 21.40 H new ATOM 0 HB3 TYR A 32 -0.739 0.623 -2.916 1.00 21.40 H new ATOM 0 HD1 TYR A 32 -1.527 -2.169 -3.367 1.00 20.10 H new ATOM 0 HD2 TYR A 32 -1.053 0.986 -6.191 1.00 71.10 H new ATOM 0 HE1 TYR A 32 -1.062 -3.817 -5.127 1.00 63.30 H new ATOM 0 HE2 TYR A 32 -0.591 -0.661 -7.954 1.00 40.20 H new ATOM 0 HH TYR A 32 -0.375 -2.796 -8.479 1.00 23.20 H new ATOM 463 N GLN A 33 -2.830 1.983 -1.069 1.00 41.30 N ATOM 464 CA GLN A 33 -2.663 2.572 0.255 1.00 61.40 C ATOM 465 C GLN A 33 -3.615 1.930 1.260 1.00 31.10 C ATOM 466 O GLN A 33 -3.197 1.486 2.329 1.00 34.00 O ATOM 467 CB GLN A 33 -2.905 4.081 0.198 1.00 14.20 C ATOM 468 CG GLN A 33 -1.650 4.888 -0.088 1.00 24.40 C ATOM 469 CD GLN A 33 -1.884 6.383 0.005 1.00 22.10 C ATOM 470 OE1 GLN A 33 -1.265 7.071 0.817 1.00 23.20 O ATOM 471 NE2 GLN A 33 -2.782 6.895 -0.829 1.00 74.50 N ATOM 0 H GLN A 33 -3.110 2.645 -1.793 1.00 41.30 H new ATOM 0 HA GLN A 33 -1.640 2.387 0.582 1.00 61.40 H new ATOM 0 HB2 GLN A 33 -3.646 4.293 -0.572 1.00 14.20 H new ATOM 0 HB3 GLN A 33 -3.329 4.409 1.147 1.00 14.20 H new ATOM 0 HG2 GLN A 33 -0.870 4.602 0.617 1.00 24.40 H new ATOM 0 HG3 GLN A 33 -1.284 4.643 -1.085 1.00 24.40 H new ATOM 0 HE21 GLN A 33 -3.272 6.288 -1.486 1.00 74.50 H new ATOM 0 HE22 GLN A 33 -2.981 7.895 -0.812 1.00 74.50 H new ATOM 480 N HIS A 34 -4.896 1.885 0.909 1.00 60.10 N ATOM 481 CA HIS A 34 -5.907 1.297 1.780 1.00 3.23 C ATOM 482 C HIS A 34 -5.627 -0.183 2.018 1.00 72.40 C ATOM 483 O HIS A 34 -5.937 -0.721 3.081 1.00 63.40 O ATOM 484 CB HIS A 34 -7.299 1.474 1.172 1.00 5.52 C ATOM 485 CG HIS A 34 -8.363 1.758 2.186 1.00 63.50 C ATOM 486 ND1 HIS A 34 -8.172 1.602 3.542 1.00 55.20 N ATOM 487 CD2 HIS A 34 -9.638 2.192 2.035 1.00 34.30 C ATOM 488 CE1 HIS A 34 -9.282 1.926 4.182 1.00 64.20 C ATOM 489 NE2 HIS A 34 -10.180 2.288 3.290 1.00 13.20 N ATOM 0 H HIS A 34 -5.258 2.249 0.028 1.00 60.10 H new ATOM 0 HA HIS A 34 -5.869 1.813 2.739 1.00 3.23 H new ATOM 0 HB2 HIS A 34 -7.270 2.290 0.450 1.00 5.52 H new ATOM 0 HB3 HIS A 34 -7.564 0.571 0.622 1.00 5.52 H new ATOM 0 HD2 HIS A 34 -10.133 2.419 1.102 1.00 34.30 H new ATOM 0 HE1 HIS A 34 -9.427 1.899 5.252 1.00 64.20 H new ATOM 0 HE2 HIS A 34 -11.131 2.592 3.500 1.00 13.20 H new ATOM 498 N ALA A 35 -5.039 -0.837 1.021 1.00 2.25 N ATOM 499 CA ALA A 35 -4.718 -2.255 1.121 1.00 43.10 C ATOM 500 C ALA A 35 -3.512 -2.482 2.027 1.00 73.00 C ATOM 501 O ALA A 35 -3.552 -3.313 2.934 1.00 33.30 O ATOM 502 CB ALA A 35 -4.459 -2.836 -0.261 1.00 63.00 C ATOM 0 H ALA A 35 -4.775 -0.407 0.135 1.00 2.25 H new ATOM 0 HA ALA A 35 -5.573 -2.766 1.563 1.00 43.10 H new ATOM 0 HB1 ALA A 35 -4.220 -3.896 -0.171 1.00 63.00 H new ATOM 0 HB2 ALA A 35 -5.349 -2.715 -0.879 1.00 63.00 H new ATOM 0 HB3 ALA A 35 -3.622 -2.314 -0.724 1.00 63.00 H new ATOM 508 N VAL A 36 -2.440 -1.738 1.775 1.00 71.10 N ATOM 509 CA VAL A 36 -1.223 -1.858 2.567 1.00 20.10 C ATOM 510 C VAL A 36 -1.477 -1.480 4.023 1.00 3.40 C ATOM 511 O VAL A 36 -0.952 -2.112 4.940 1.00 52.10 O ATOM 512 CB VAL A 36 -0.096 -0.969 2.006 1.00 45.00 C ATOM 513 CG1 VAL A 36 1.207 -1.224 2.749 1.00 73.30 C ATOM 514 CG2 VAL A 36 0.080 -1.205 0.513 1.00 14.10 C ATOM 0 H VAL A 36 -2.390 -1.045 1.028 1.00 71.10 H new ATOM 0 HA VAL A 36 -0.912 -2.901 2.513 1.00 20.10 H new ATOM 0 HB VAL A 36 -0.375 0.074 2.155 1.00 45.00 H new ATOM 0 HG11 VAL A 36 1.991 -0.587 2.339 1.00 73.30 H new ATOM 0 HG12 VAL A 36 1.073 -0.998 3.807 1.00 73.30 H new ATOM 0 HG13 VAL A 36 1.492 -2.270 2.635 1.00 73.30 H new ATOM 0 HG21 VAL A 36 0.880 -0.568 0.136 1.00 14.10 H new ATOM 0 HG22 VAL A 36 0.335 -2.250 0.337 1.00 14.10 H new ATOM 0 HG23 VAL A 36 -0.849 -0.966 -0.005 1.00 14.10 H new ATOM 524 N GLU A 37 -2.285 -0.445 4.228 1.00 31.20 N ATOM 525 CA GLU A 37 -2.608 0.017 5.573 1.00 52.30 C ATOM 526 C GLU A 37 -3.292 -1.083 6.377 1.00 32.30 C ATOM 527 O GLU A 37 -2.863 -1.417 7.482 1.00 62.30 O ATOM 528 CB GLU A 37 -3.509 1.252 5.508 1.00 73.20 C ATOM 529 CG GLU A 37 -3.482 2.092 6.774 1.00 31.50 C ATOM 530 CD GLU A 37 -4.829 2.712 7.091 1.00 21.20 C ATOM 531 OE1 GLU A 37 -5.220 3.672 6.395 1.00 64.50 O ATOM 532 OE2 GLU A 37 -5.493 2.237 8.037 1.00 1.31 O ATOM 0 H GLU A 37 -2.728 0.089 3.481 1.00 31.20 H new ATOM 0 HA GLU A 37 -1.676 0.281 6.073 1.00 52.30 H new ATOM 0 HB2 GLU A 37 -3.203 1.871 4.665 1.00 73.20 H new ATOM 0 HB3 GLU A 37 -4.534 0.934 5.315 1.00 73.20 H new ATOM 0 HG2 GLU A 37 -3.166 1.470 7.612 1.00 31.50 H new ATOM 0 HG3 GLU A 37 -2.739 2.882 6.666 1.00 31.50 H new ATOM 539 N TYR A 38 -4.358 -1.644 5.816 1.00 75.20 N ATOM 540 CA TYR A 38 -5.102 -2.707 6.481 1.00 14.00 C ATOM 541 C TYR A 38 -4.212 -3.920 6.731 1.00 72.20 C ATOM 542 O TYR A 38 -4.392 -4.644 7.710 1.00 12.10 O ATOM 543 CB TYR A 38 -6.314 -3.114 5.639 1.00 51.00 C ATOM 544 CG TYR A 38 -7.575 -2.355 5.986 1.00 15.30 C ATOM 545 CD1 TYR A 38 -7.543 -0.985 6.218 1.00 31.50 C ATOM 546 CD2 TYR A 38 -8.797 -3.008 6.082 1.00 32.30 C ATOM 547 CE1 TYR A 38 -8.693 -0.288 6.535 1.00 33.20 C ATOM 548 CE2 TYR A 38 -9.952 -2.318 6.399 1.00 74.40 C ATOM 549 CZ TYR A 38 -9.895 -0.959 6.624 1.00 22.50 C ATOM 550 OH TYR A 38 -11.040 -0.268 6.940 1.00 51.10 O ATOM 0 H TYR A 38 -4.726 -1.380 4.902 1.00 75.20 H new ATOM 0 HA TYR A 38 -5.447 -2.328 7.443 1.00 14.00 H new ATOM 0 HB2 TYR A 38 -6.083 -2.956 4.585 1.00 51.00 H new ATOM 0 HB3 TYR A 38 -6.495 -4.181 5.769 1.00 51.00 H new ATOM 0 HD1 TYR A 38 -6.604 -0.457 6.149 1.00 31.50 H new ATOM 0 HD2 TYR A 38 -8.846 -4.072 5.906 1.00 32.30 H new ATOM 0 HE1 TYR A 38 -8.651 0.777 6.712 1.00 33.20 H new ATOM 0 HE2 TYR A 38 -10.894 -2.841 6.470 1.00 74.40 H new ATOM 0 HH TYR A 38 -11.800 -0.886 6.961 1.00 51.10 H new ATOM 560 N PHE A 39 -3.250 -4.136 5.839 1.00 61.10 N ATOM 561 CA PHE A 39 -2.332 -5.262 5.963 1.00 61.30 C ATOM 562 C PHE A 39 -1.484 -5.135 7.225 1.00 71.20 C ATOM 563 O PHE A 39 -1.409 -6.064 8.030 1.00 44.10 O ATOM 564 CB PHE A 39 -1.427 -5.347 4.733 1.00 71.20 C ATOM 565 CG PHE A 39 -1.956 -6.255 3.660 1.00 51.30 C ATOM 566 CD1 PHE A 39 -2.380 -7.538 3.968 1.00 75.10 C ATOM 567 CD2 PHE A 39 -2.030 -5.826 2.345 1.00 23.50 C ATOM 568 CE1 PHE A 39 -2.868 -8.376 2.983 1.00 33.30 C ATOM 569 CE2 PHE A 39 -2.516 -6.660 1.356 1.00 75.40 C ATOM 570 CZ PHE A 39 -2.936 -7.936 1.675 1.00 23.40 C ATOM 0 H PHE A 39 -3.086 -3.546 5.023 1.00 61.10 H new ATOM 0 HA PHE A 39 -2.923 -6.175 6.034 1.00 61.30 H new ATOM 0 HB2 PHE A 39 -1.295 -4.347 4.319 1.00 71.20 H new ATOM 0 HB3 PHE A 39 -0.442 -5.697 5.041 1.00 71.20 H new ATOM 0 HD1 PHE A 39 -2.329 -7.887 4.989 1.00 75.10 H new ATOM 0 HD2 PHE A 39 -1.704 -4.828 2.090 1.00 23.50 H new ATOM 0 HE1 PHE A 39 -3.196 -9.374 3.236 1.00 33.30 H new ATOM 0 HE2 PHE A 39 -2.567 -6.314 0.334 1.00 75.40 H new ATOM 0 HZ PHE A 39 -3.317 -8.589 0.904 1.00 23.40 H new ATOM 580 N LEU A 40 -0.848 -3.981 7.392 1.00 22.50 N ATOM 581 CA LEU A 40 -0.006 -3.733 8.556 1.00 64.50 C ATOM 582 C LEU A 40 -0.814 -3.843 9.846 1.00 53.50 C ATOM 583 O LEU A 40 -0.289 -4.236 10.887 1.00 61.30 O ATOM 584 CB LEU A 40 0.638 -2.348 8.461 1.00 71.10 C ATOM 585 CG LEU A 40 1.439 -2.094 7.183 1.00 64.30 C ATOM 586 CD1 LEU A 40 1.904 -0.647 7.123 1.00 31.40 C ATOM 587 CD2 LEU A 40 2.627 -3.041 7.102 1.00 53.40 C ATOM 0 H LEU A 40 -0.900 -3.202 6.736 1.00 22.50 H new ATOM 0 HA LEU A 40 0.778 -4.490 8.573 1.00 64.50 H new ATOM 0 HB2 LEU A 40 -0.145 -1.594 8.537 1.00 71.10 H new ATOM 0 HB3 LEU A 40 1.297 -2.211 9.318 1.00 71.10 H new ATOM 0 HG LEU A 40 0.791 -2.282 6.327 1.00 64.30 H new ATOM 0 HD11 LEU A 40 2.472 -0.485 6.207 1.00 31.40 H new ATOM 0 HD12 LEU A 40 1.038 0.014 7.134 1.00 31.40 H new ATOM 0 HD13 LEU A 40 2.536 -0.432 7.985 1.00 31.40 H new ATOM 0 HD21 LEU A 40 3.186 -2.846 6.187 1.00 53.40 H new ATOM 0 HD22 LEU A 40 3.276 -2.885 7.964 1.00 53.40 H new ATOM 0 HD23 LEU A 40 2.271 -4.071 7.098 1.00 53.40 H new ATOM 599 N HIS A 41 -2.093 -3.493 9.768 1.00 73.40 N ATOM 600 CA HIS A 41 -2.974 -3.552 10.929 1.00 30.30 C ATOM 601 C HIS A 41 -3.296 -4.998 11.294 1.00 50.10 C ATOM 602 O HIS A 41 -3.507 -5.321 12.463 1.00 61.10 O ATOM 603 CB HIS A 41 -4.267 -2.783 10.654 1.00 71.10 C ATOM 604 CG HIS A 41 -4.189 -1.333 11.016 1.00 41.50 C ATOM 605 ND1 HIS A 41 -3.281 -0.463 10.451 1.00 24.30 N ATOM 606 CD2 HIS A 41 -4.914 -0.598 11.893 1.00 4.11 C ATOM 607 CE1 HIS A 41 -3.449 0.743 10.964 1.00 51.10 C ATOM 608 NE2 HIS A 41 -4.435 0.688 11.841 1.00 10.40 N ATOM 0 H HIS A 41 -2.543 -3.165 8.913 1.00 73.40 H new ATOM 0 HA HIS A 41 -2.457 -3.090 11.770 1.00 30.30 H new ATOM 0 HB2 HIS A 41 -4.515 -2.872 9.596 1.00 71.10 H new ATOM 0 HB3 HIS A 41 -5.081 -3.245 11.213 1.00 71.10 H new ATOM 0 HD1 HIS A 41 -2.587 -0.712 9.746 1.00 24.30 H new ATOM 0 HD2 HIS A 41 -5.719 -0.957 12.517 1.00 4.11 H new ATOM 0 HE1 HIS A 41 -2.878 1.623 10.710 1.00 51.10 H new ATOM 617 N ALA A 42 -3.333 -5.863 10.286 1.00 64.40 N ATOM 618 CA ALA A 42 -3.629 -7.274 10.501 1.00 64.20 C ATOM 619 C ALA A 42 -2.453 -7.990 11.156 1.00 32.30 C ATOM 620 O ALA A 42 -2.636 -8.949 11.905 1.00 13.10 O ATOM 621 CB ALA A 42 -3.990 -7.944 9.183 1.00 41.50 C ATOM 0 H ALA A 42 -3.162 -5.611 9.312 1.00 64.40 H new ATOM 0 HA ALA A 42 -4.482 -7.341 11.176 1.00 64.20 H new ATOM 0 HB1 ALA A 42 -4.209 -8.997 9.358 1.00 41.50 H new ATOM 0 HB2 ALA A 42 -4.867 -7.458 8.756 1.00 41.50 H new ATOM 0 HB3 ALA A 42 -3.153 -7.858 8.490 1.00 41.50 H new ATOM 627 N ILE A 43 -1.244 -7.517 10.867 1.00 13.40 N ATOM 628 CA ILE A 43 -0.037 -8.112 11.428 1.00 61.10 C ATOM 629 C ILE A 43 0.156 -7.696 12.883 1.00 35.30 C ATOM 630 O ILE A 43 0.432 -8.529 13.746 1.00 13.40 O ATOM 631 CB ILE A 43 1.213 -7.714 10.622 1.00 61.10 C ATOM 632 CG1 ILE A 43 0.979 -7.945 9.128 1.00 12.20 C ATOM 633 CG2 ILE A 43 2.426 -8.499 11.101 1.00 13.20 C ATOM 634 CD1 ILE A 43 1.963 -7.212 8.242 1.00 23.10 C ATOM 0 H ILE A 43 -1.075 -6.724 10.248 1.00 13.40 H new ATOM 0 HA ILE A 43 -0.164 -9.193 11.376 1.00 61.10 H new ATOM 0 HB ILE A 43 1.406 -6.653 10.781 1.00 61.10 H new ATOM 0 HG12 ILE A 43 1.041 -9.013 8.920 1.00 12.20 H new ATOM 0 HG13 ILE A 43 -0.032 -7.628 8.874 1.00 12.20 H new ATOM 0 HG21 ILE A 43 3.301 -8.206 10.521 1.00 13.20 H new ATOM 0 HG22 ILE A 43 2.602 -8.288 12.156 1.00 13.20 H new ATOM 0 HG23 ILE A 43 2.244 -9.566 10.970 1.00 13.20 H new ATOM 0 HD11 ILE A 43 1.737 -7.422 7.196 1.00 23.10 H new ATOM 0 HD12 ILE A 43 1.886 -6.140 8.422 1.00 23.10 H new ATOM 0 HD13 ILE A 43 2.976 -7.546 8.469 1.00 23.10 H new ATOM 646 N LYS A 44 0.009 -6.402 13.147 1.00 14.10 N ATOM 647 CA LYS A 44 0.168 -5.875 14.498 1.00 74.10 C ATOM 648 C LYS A 44 -0.837 -6.511 15.452 1.00 73.10 C ATOM 649 O LYS A 44 -0.488 -6.906 16.564 1.00 13.10 O ATOM 650 CB LYS A 44 -0.002 -4.355 14.498 1.00 12.20 C ATOM 651 CG LYS A 44 -1.391 -3.898 14.085 1.00 51.00 C ATOM 652 CD LYS A 44 -1.484 -2.382 14.026 1.00 4.10 C ATOM 653 CE LYS A 44 -1.523 -1.772 15.418 1.00 21.20 C ATOM 654 NZ LYS A 44 -0.769 -0.490 15.485 1.00 20.20 N ATOM 0 H LYS A 44 -0.220 -5.699 12.444 1.00 14.10 H new ATOM 0 HA LYS A 44 1.173 -6.121 14.841 1.00 74.10 H new ATOM 0 HB2 LYS A 44 0.215 -3.974 15.496 1.00 12.20 H new ATOM 0 HB3 LYS A 44 0.732 -3.916 13.822 1.00 12.20 H new ATOM 0 HG2 LYS A 44 -1.638 -4.317 13.110 1.00 51.00 H new ATOM 0 HG3 LYS A 44 -2.127 -4.281 14.792 1.00 51.00 H new ATOM 0 HD2 LYS A 44 -0.630 -1.985 13.477 1.00 4.10 H new ATOM 0 HD3 LYS A 44 -2.379 -2.092 13.475 1.00 4.10 H new ATOM 0 HE2 LYS A 44 -2.559 -1.599 15.709 1.00 21.20 H new ATOM 0 HE3 LYS A 44 -1.104 -2.478 16.135 1.00 21.20 H new ATOM 0 HZ1 LYS A 44 -0.820 -0.107 16.451 1.00 20.20 H new ATOM 0 HZ2 LYS A 44 0.226 -0.659 15.232 1.00 20.20 H new ATOM 0 HZ3 LYS A 44 -1.185 0.192 14.819 1.00 20.20 H new ATOM 668 N TYR A 45 -2.087 -6.607 15.010 1.00 62.30 N ATOM 669 CA TYR A 45 -3.143 -7.195 15.825 1.00 14.40 C ATOM 670 C TYR A 45 -2.904 -8.687 16.031 1.00 33.40 C ATOM 671 O TYR A 45 -3.055 -9.203 17.139 1.00 31.10 O ATOM 672 CB TYR A 45 -4.507 -6.970 15.170 1.00 52.40 C ATOM 673 CG TYR A 45 -5.212 -5.721 15.650 1.00 41.30 C ATOM 674 CD1 TYR A 45 -4.858 -4.469 15.162 1.00 41.00 C ATOM 675 CD2 TYR A 45 -6.230 -5.794 16.592 1.00 33.40 C ATOM 676 CE1 TYR A 45 -5.499 -3.326 15.598 1.00 5.24 C ATOM 677 CE2 TYR A 45 -6.877 -4.655 17.034 1.00 32.30 C ATOM 678 CZ TYR A 45 -6.508 -3.424 16.534 1.00 63.40 C ATOM 679 OH TYR A 45 -7.149 -2.287 16.971 1.00 52.40 O ATOM 0 H TYR A 45 -2.393 -6.285 14.092 1.00 62.30 H new ATOM 0 HA TYR A 45 -3.131 -6.706 16.799 1.00 14.40 H new ATOM 0 HB2 TYR A 45 -4.376 -6.910 14.090 1.00 52.40 H new ATOM 0 HB3 TYR A 45 -5.142 -7.834 15.367 1.00 52.40 H new ATOM 0 HD1 TYR A 45 -4.068 -4.388 14.430 1.00 41.00 H new ATOM 0 HD2 TYR A 45 -6.521 -6.757 16.986 1.00 33.40 H new ATOM 0 HE1 TYR A 45 -5.212 -2.361 15.208 1.00 5.24 H new ATOM 0 HE2 TYR A 45 -7.667 -4.729 17.767 1.00 32.30 H new ATOM 0 HH TYR A 45 -7.834 -2.530 17.628 1.00 52.40 H new ATOM 689 N GLU A 46 -2.532 -9.375 14.957 1.00 45.20 N ATOM 690 CA GLU A 46 -2.272 -10.800 15.020 1.00 64.50 C ATOM 691 C GLU A 46 -1.284 -11.230 13.937 1.00 64.20 C ATOM 692 O GLU A 46 -1.001 -10.470 13.011 1.00 61.40 O ATOM 693 CB GLU A 46 -3.578 -11.590 14.869 1.00 43.20 C ATOM 694 CG GLU A 46 -3.633 -12.850 15.718 1.00 11.40 C ATOM 695 CD GLU A 46 -3.395 -12.570 17.190 1.00 20.10 C ATOM 696 OE1 GLU A 46 -4.381 -12.310 17.912 1.00 12.30 O ATOM 697 OE2 GLU A 46 -2.223 -12.610 17.620 1.00 31.00 O ATOM 0 H GLU A 46 -2.405 -8.963 14.032 1.00 45.20 H new ATOM 0 HA GLU A 46 -1.832 -11.013 15.994 1.00 64.50 H new ATOM 0 HB2 GLU A 46 -4.415 -10.945 15.137 1.00 43.20 H new ATOM 0 HB3 GLU A 46 -3.708 -11.862 13.822 1.00 43.20 H new ATOM 0 HG2 GLU A 46 -4.606 -13.325 15.595 1.00 11.40 H new ATOM 0 HG3 GLU A 46 -2.885 -13.558 15.361 1.00 11.40 H new ATOM 704 N ALA A 47 -0.764 -12.440 14.059 1.00 55.50 N ATOM 705 CA ALA A 47 0.192 -12.970 13.091 1.00 61.30 C ATOM 706 C ALA A 47 0.314 -14.480 13.203 1.00 3.41 C ATOM 707 O ALA A 47 0.369 -15.030 14.304 1.00 23.50 O ATOM 708 CB ALA A 47 1.551 -12.310 13.284 1.00 75.20 C ATOM 0 H ALA A 47 -0.987 -13.079 14.822 1.00 55.50 H new ATOM 0 HA ALA A 47 -0.176 -12.741 12.091 1.00 61.30 H new ATOM 0 HB1 ALA A 47 2.257 -12.712 12.557 1.00 75.20 H new ATOM 0 HB2 ALA A 47 1.456 -11.234 13.141 1.00 75.20 H new ATOM 0 HB3 ALA A 47 1.913 -12.512 14.292 1.00 75.20 H new ATOM 714 N HIS A 48 0.356 -15.150 12.058 1.00 53.40 N ATOM 715 CA HIS A 48 0.471 -16.610 12.027 1.00 65.40 C ATOM 716 C HIS A 48 1.760 -17.060 12.704 1.00 1.05 C ATOM 717 O HIS A 48 1.734 -17.900 13.612 1.00 35.20 O ATOM 718 CB HIS A 48 0.432 -17.110 10.584 1.00 33.00 C ATOM 719 CG HIS A 48 -0.295 -18.410 10.425 1.00 12.50 C ATOM 720 ND1 HIS A 48 0.337 -19.640 10.458 1.00 62.50 N ATOM 721 CD2 HIS A 48 -1.610 -18.670 10.231 1.00 73.20 C ATOM 722 CE1 HIS A 48 -0.557 -20.600 10.291 1.00 1.30 C ATOM 723 NE2 HIS A 48 -1.745 -20.040 10.152 1.00 72.20 N ATOM 0 H HIS A 48 0.313 -14.711 11.139 1.00 53.40 H new ATOM 0 HA HIS A 48 -0.372 -17.035 12.572 1.00 65.40 H new ATOM 0 HB2 HIS A 48 -0.046 -16.356 9.959 1.00 33.00 H new ATOM 0 HB3 HIS A 48 1.453 -17.226 10.220 1.00 33.00 H new ATOM 0 HD2 HIS A 48 -2.403 -17.941 10.153 1.00 73.20 H new ATOM 0 HE1 HIS A 48 -0.351 -21.660 10.272 1.00 1.30 H new ATOM 0 HE2 HIS A 48 -2.622 -20.541 10.009 1.00 72.20 H new ATOM 732 N SER A 49 2.884 -16.520 12.255 1.00 41.40 N ATOM 733 CA SER A 49 4.183 -16.870 12.817 1.00 63.10 C ATOM 734 C SER A 49 5.281 -15.970 12.254 1.00 64.40 C ATOM 735 O SER A 49 5.012 -15.060 11.471 1.00 40.10 O ATOM 736 CB SER A 49 4.507 -18.340 12.527 1.00 34.40 C ATOM 737 OG SER A 49 5.317 -18.890 13.549 1.00 21.40 O ATOM 0 H SER A 49 2.924 -15.835 11.500 1.00 41.40 H new ATOM 0 HA SER A 49 4.138 -16.722 13.896 1.00 63.10 H new ATOM 0 HB2 SER A 49 3.582 -18.911 12.444 1.00 34.40 H new ATOM 0 HB3 SER A 49 5.019 -18.421 11.568 1.00 34.40 H new ATOM 0 HG SER A 49 5.510 -19.829 13.344 1.00 21.40 H new ATOM 743 N ASP A 50 6.519 -16.240 12.658 1.00 25.40 N ATOM 744 CA ASP A 50 7.658 -15.450 12.193 1.00 31.10 C ATOM 745 C ASP A 50 7.799 -15.550 10.677 1.00 73.20 C ATOM 746 O ASP A 50 7.891 -14.530 9.990 1.00 64.30 O ATOM 747 CB ASP A 50 8.944 -15.940 12.866 1.00 22.40 C ATOM 748 CG ASP A 50 9.131 -15.340 14.249 1.00 2.41 C ATOM 749 OD1 ASP A 50 8.846 -14.140 14.422 1.00 62.50 O ATOM 750 OD2 ASP A 50 9.561 -16.080 15.159 1.00 2.13 O ATOM 0 H ASP A 50 6.760 -16.994 13.302 1.00 25.40 H new ATOM 0 HA ASP A 50 7.486 -14.407 12.459 1.00 31.10 H new ATOM 0 HB2 ASP A 50 8.920 -17.027 12.943 1.00 22.40 H new ATOM 0 HB3 ASP A 50 9.800 -15.683 12.241 1.00 22.40 H new ATOM 755 N LYS A 51 7.815 -16.770 10.162 1.00 33.40 N ATOM 756 CA LYS A 51 7.944 -16.990 8.727 1.00 62.50 C ATOM 757 C LYS A 51 6.787 -16.350 7.969 1.00 12.40 C ATOM 758 O LYS A 51 6.989 -15.690 6.949 1.00 65.20 O ATOM 759 CB LYS A 51 7.996 -18.490 8.427 1.00 32.10 C ATOM 760 CG LYS A 51 8.592 -18.820 7.067 1.00 3.43 C ATOM 761 CD LYS A 51 9.383 -20.120 7.104 1.00 51.00 C ATOM 762 CE LYS A 51 10.812 -19.890 7.570 1.00 15.00 C ATOM 763 NZ LYS A 51 11.671 -21.080 7.343 1.00 75.40 N ATOM 0 H LYS A 51 7.740 -17.624 10.715 1.00 33.40 H new ATOM 0 HA LYS A 51 8.872 -16.524 8.395 1.00 62.50 H new ATOM 0 HB2 LYS A 51 8.582 -18.986 9.201 1.00 32.10 H new ATOM 0 HB3 LYS A 51 6.987 -18.898 8.480 1.00 32.10 H new ATOM 0 HG2 LYS A 51 7.794 -18.900 6.329 1.00 3.43 H new ATOM 0 HG3 LYS A 51 9.243 -18.006 6.747 1.00 3.43 H new ATOM 0 HD2 LYS A 51 8.891 -20.828 7.771 1.00 51.00 H new ATOM 0 HD3 LYS A 51 9.391 -20.571 6.112 1.00 51.00 H new ATOM 0 HE2 LYS A 51 11.232 -19.034 7.042 1.00 15.00 H new ATOM 0 HE3 LYS A 51 10.811 -19.641 8.631 1.00 15.00 H new ATOM 0 HZ1 LYS A 51 12.636 -20.880 7.675 1.00 75.40 H new ATOM 0 HZ2 LYS A 51 11.286 -21.891 7.867 1.00 75.40 H new ATOM 0 HZ3 LYS A 51 11.693 -21.303 6.328 1.00 75.40 H new ATOM 777 N ALA A 52 5.574 -16.550 8.475 1.00 13.10 N ATOM 778 CA ALA A 52 4.384 -15.990 7.846 1.00 40.00 C ATOM 779 C ALA A 52 4.406 -14.460 7.891 1.00 1.30 C ATOM 780 O ALA A 52 3.979 -13.800 6.946 1.00 51.10 O ATOM 781 CB ALA A 52 3.130 -16.520 8.523 1.00 74.20 C ATOM 0 H ALA A 52 5.390 -17.095 9.317 1.00 13.10 H new ATOM 0 HA ALA A 52 4.377 -16.298 6.800 1.00 40.00 H new ATOM 0 HB1 ALA A 52 2.249 -16.093 8.043 1.00 74.20 H new ATOM 0 HB2 ALA A 52 3.101 -17.606 8.436 1.00 74.20 H new ATOM 0 HB3 ALA A 52 3.140 -16.241 9.577 1.00 74.20 H new ATOM 787 N LYS A 53 4.906 -13.920 8.993 1.00 41.30 N ATOM 788 CA LYS A 53 4.984 -12.470 9.161 1.00 23.00 C ATOM 789 C LYS A 53 5.921 -11.850 8.128 1.00 44.40 C ATOM 790 O LYS A 53 5.721 -10.720 7.693 1.00 54.20 O ATOM 791 CB LYS A 53 5.462 -12.120 10.572 1.00 62.20 C ATOM 792 CG LYS A 53 4.334 -11.990 11.581 1.00 5.44 C ATOM 793 CD LYS A 53 4.654 -10.950 12.638 1.00 22.50 C ATOM 794 CE LYS A 53 5.181 -11.590 13.912 1.00 73.10 C ATOM 795 NZ LYS A 53 5.373 -10.590 14.999 1.00 34.40 N ATOM 0 H LYS A 53 5.263 -14.458 9.783 1.00 41.30 H new ATOM 0 HA LYS A 53 3.985 -12.061 9.012 1.00 23.00 H new ATOM 0 HB2 LYS A 53 6.156 -12.888 10.913 1.00 62.20 H new ATOM 0 HB3 LYS A 53 6.017 -11.182 10.537 1.00 62.20 H new ATOM 0 HG2 LYS A 53 3.413 -11.716 11.066 1.00 5.44 H new ATOM 0 HG3 LYS A 53 4.158 -12.954 12.058 1.00 5.44 H new ATOM 0 HD2 LYS A 53 5.394 -10.251 12.249 1.00 22.50 H new ATOM 0 HD3 LYS A 53 3.758 -10.373 12.864 1.00 22.50 H new ATOM 0 HE2 LYS A 53 4.485 -12.360 14.246 1.00 73.10 H new ATOM 0 HE3 LYS A 53 6.129 -12.086 13.704 1.00 73.10 H new ATOM 0 HZ1 LYS A 53 5.733 -11.067 15.850 1.00 34.40 H new ATOM 0 HZ2 LYS A 53 6.056 -9.869 14.691 1.00 34.40 H new ATOM 0 HZ3 LYS A 53 4.464 -10.135 15.216 1.00 34.40 H new ATOM 809 N GLU A 54 6.945 -12.610 7.740 1.00 30.00 N ATOM 810 CA GLU A 54 7.913 -12.130 6.758 1.00 51.10 C ATOM 811 C GLU A 54 7.278 -12.020 5.375 1.00 52.50 C ATOM 812 O GLU A 54 7.473 -11.040 4.667 1.00 70.10 O ATOM 813 CB GLU A 54 9.120 -13.070 6.706 1.00 55.20 C ATOM 814 CG GLU A 54 10.438 -12.350 6.465 1.00 51.00 C ATOM 815 CD GLU A 54 10.917 -12.480 5.032 1.00 74.10 C ATOM 816 OE1 GLU A 54 10.504 -11.650 4.193 1.00 44.50 O ATOM 817 OE2 GLU A 54 11.705 -13.410 4.749 1.00 14.40 O ATOM 0 H GLU A 54 7.124 -13.552 8.088 1.00 30.00 H new ATOM 0 HA GLU A 54 8.244 -11.137 7.063 1.00 51.10 H new ATOM 0 HB2 GLU A 54 9.182 -13.621 7.644 1.00 55.20 H new ATOM 0 HB3 GLU A 54 8.966 -13.804 5.915 1.00 55.20 H new ATOM 0 HG2 GLU A 54 10.322 -11.295 6.712 1.00 51.00 H new ATOM 0 HG3 GLU A 54 11.196 -12.753 7.136 1.00 51.00 H new ATOM 824 N SER A 55 6.519 -13.050 4.997 1.00 71.30 N ATOM 825 CA SER A 55 5.855 -13.070 3.699 1.00 23.10 C ATOM 826 C SER A 55 4.884 -11.900 3.566 1.00 43.30 C ATOM 827 O SER A 55 4.791 -11.270 2.509 1.00 23.10 O ATOM 828 CB SER A 55 5.109 -14.390 3.505 1.00 35.20 C ATOM 829 OG SER A 55 5.196 -14.830 2.162 1.00 12.00 O ATOM 0 H SER A 55 6.351 -13.876 5.571 1.00 71.30 H new ATOM 0 HA SER A 55 6.619 -12.975 2.927 1.00 23.10 H new ATOM 0 HB2 SER A 55 5.526 -15.148 4.168 1.00 35.20 H new ATOM 0 HB3 SER A 55 4.063 -14.265 3.783 1.00 35.20 H new ATOM 0 HG SER A 55 4.713 -15.677 2.063 1.00 12.00 H new ATOM 835 N ILE A 56 4.164 -11.610 4.644 1.00 71.00 N ATOM 836 CA ILE A 56 3.201 -10.510 4.648 1.00 43.40 C ATOM 837 C ILE A 56 3.908 -9.167 4.635 1.00 64.30 C ATOM 838 O ILE A 56 3.490 -8.244 3.936 1.00 20.30 O ATOM 839 CB ILE A 56 2.272 -10.580 5.876 1.00 34.50 C ATOM 840 CG1 ILE A 56 1.664 -11.980 6.004 1.00 74.10 C ATOM 841 CG2 ILE A 56 1.178 -9.537 5.776 1.00 40.30 C ATOM 842 CD1 ILE A 56 1.175 -12.300 7.399 1.00 61.00 C ATOM 0 H ILE A 56 4.227 -12.119 5.526 1.00 71.00 H new ATOM 0 HA ILE A 56 2.600 -10.610 3.744 1.00 43.40 H new ATOM 0 HB ILE A 56 2.863 -10.374 6.768 1.00 34.50 H new ATOM 0 HG12 ILE A 56 0.832 -12.071 5.306 1.00 74.10 H new ATOM 0 HG13 ILE A 56 2.409 -12.719 5.710 1.00 74.10 H new ATOM 0 HG21 ILE A 56 0.532 -9.602 6.652 1.00 40.30 H new ATOM 0 HG22 ILE A 56 1.625 -8.544 5.728 1.00 40.30 H new ATOM 0 HG23 ILE A 56 0.588 -9.713 4.877 1.00 40.30 H new ATOM 0 HD11 ILE A 56 0.757 -13.307 7.416 1.00 61.00 H new ATOM 0 HD12 ILE A 56 2.008 -12.241 8.099 1.00 61.00 H new ATOM 0 HD13 ILE A 56 0.407 -11.583 7.689 1.00 61.00 H new ATOM 854 N ARG A 57 4.981 -9.059 5.411 1.00 10.20 N ATOM 855 CA ARG A 57 5.746 -7.820 5.488 1.00 25.50 C ATOM 856 C ARG A 57 6.481 -7.554 4.179 1.00 63.30 C ATOM 857 O ARG A 57 6.449 -6.441 3.653 1.00 64.20 O ATOM 858 CB ARG A 57 6.745 -7.884 6.644 1.00 5.21 C ATOM 859 CG ARG A 57 7.570 -6.617 6.806 1.00 32.00 C ATOM 860 CD ARG A 57 8.620 -6.772 7.895 1.00 23.30 C ATOM 861 NE ARG A 57 8.031 -7.172 9.171 1.00 74.50 N ATOM 862 CZ ARG A 57 8.737 -7.377 10.281 1.00 42.30 C ATOM 863 NH1 ARG A 57 10.055 -7.222 10.276 1.00 64.10 N ATOM 864 NH2 ARG A 57 8.122 -7.738 11.399 1.00 41.20 N ATOM 0 H ARG A 57 5.340 -9.814 5.995 1.00 10.20 H new ATOM 0 HA ARG A 57 5.049 -7.001 5.665 1.00 25.50 H new ATOM 0 HB2 ARG A 57 6.204 -8.076 7.571 1.00 5.21 H new ATOM 0 HB3 ARG A 57 7.417 -8.728 6.486 1.00 5.21 H new ATOM 0 HG2 ARG A 57 8.057 -6.375 5.861 1.00 32.00 H new ATOM 0 HG3 ARG A 57 6.913 -5.782 7.049 1.00 32.00 H new ATOM 0 HD2 ARG A 57 9.355 -7.515 7.586 1.00 23.30 H new ATOM 0 HD3 ARG A 57 9.153 -5.830 8.021 1.00 23.30 H new ATOM 0 HE ARG A 57 7.020 -7.302 9.214 1.00 74.50 H new ATOM 0 HH11 ARG A 57 10.533 -6.944 9.419 1.00 64.10 H new ATOM 0 HH12 ARG A 57 10.590 -7.381 11.130 1.00 64.10 H new ATOM 0 HH21 ARG A 57 7.109 -7.858 11.408 1.00 41.20 H new ATOM 0 HH22 ARG A 57 8.662 -7.895 12.250 1.00 41.20 H new ATOM 878 N ALA A 58 7.142 -8.582 3.656 1.00 64.50 N ATOM 879 CA ALA A 58 7.882 -8.459 2.406 1.00 65.50 C ATOM 880 C ALA A 58 6.978 -7.966 1.281 1.00 52.40 C ATOM 881 O ALA A 58 7.403 -7.196 0.420 1.00 52.10 O ATOM 882 CB ALA A 58 8.514 -9.792 2.033 1.00 31.10 C ATOM 0 H ALA A 58 7.180 -9.509 4.079 1.00 64.50 H new ATOM 0 HA ALA A 58 8.673 -7.723 2.551 1.00 65.50 H new ATOM 0 HB1 ALA A 58 9.063 -9.685 1.098 1.00 31.10 H new ATOM 0 HB2 ALA A 58 9.198 -10.104 2.822 1.00 31.10 H new ATOM 0 HB3 ALA A 58 7.734 -10.543 1.912 1.00 31.10 H new ATOM 888 N LYS A 59 5.727 -8.413 1.300 1.00 33.20 N ATOM 889 CA LYS A 59 4.759 -8.015 0.285 1.00 54.10 C ATOM 890 C LYS A 59 4.332 -6.564 0.484 1.00 34.40 C ATOM 891 O LYS A 59 4.006 -5.866 -0.476 1.00 53.10 O ATOM 892 CB LYS A 59 3.534 -8.931 0.331 1.00 53.00 C ATOM 893 CG LYS A 59 3.673 -10.170 -0.527 1.00 42.30 C ATOM 894 CD LYS A 59 2.540 -11.150 -0.274 1.00 55.50 C ATOM 895 CE LYS A 59 2.316 -12.070 -1.468 1.00 71.30 C ATOM 896 NZ LYS A 59 1.929 -13.440 -1.050 1.00 12.30 N ATOM 0 H LYS A 59 5.360 -9.051 2.007 1.00 33.20 H new ATOM 0 HA LYS A 59 5.234 -8.106 -0.692 1.00 54.10 H new ATOM 0 HB2 LYS A 59 3.354 -9.232 1.363 1.00 53.00 H new ATOM 0 HB3 LYS A 59 2.658 -8.370 0.005 1.00 53.00 H new ATOM 0 HG2 LYS A 59 3.682 -9.886 -1.579 1.00 42.30 H new ATOM 0 HG3 LYS A 59 4.627 -10.653 -0.319 1.00 42.30 H new ATOM 0 HD2 LYS A 59 2.766 -11.748 0.609 1.00 55.50 H new ATOM 0 HD3 LYS A 59 1.623 -10.600 -0.061 1.00 55.50 H new ATOM 0 HE2 LYS A 59 1.537 -11.652 -2.106 1.00 71.30 H new ATOM 0 HE3 LYS A 59 3.227 -12.117 -2.065 1.00 71.30 H new ATOM 0 HZ1 LYS A 59 1.786 -14.033 -1.893 1.00 12.30 H new ATOM 0 HZ2 LYS A 59 2.683 -13.850 -0.462 1.00 12.30 H new ATOM 0 HZ3 LYS A 59 1.046 -13.399 -0.502 1.00 12.30 H new ATOM 910 N CYS A 60 4.339 -6.117 1.736 1.00 62.50 N ATOM 911 CA CYS A 60 3.955 -4.748 2.060 1.00 43.00 C ATOM 912 C CYS A 60 5.054 -3.768 1.664 1.00 33.20 C ATOM 913 O CYS A 60 4.775 -2.660 1.206 1.00 24.50 O ATOM 914 CB CYS A 60 3.656 -4.620 3.555 1.00 44.20 C ATOM 915 SG CYS A 60 2.242 -5.601 4.111 1.00 50.10 S ATOM 0 H CYS A 60 4.606 -6.682 2.542 1.00 62.50 H new ATOM 0 HA CYS A 60 3.055 -4.506 1.495 1.00 43.00 H new ATOM 0 HB2 CYS A 60 4.539 -4.923 4.118 1.00 44.20 H new ATOM 0 HB3 CYS A 60 3.472 -3.572 3.789 1.00 44.20 H new ATOM 0 HG CYS A 60 2.640 -6.799 4.420 1.00 50.10 H new ATOM 921 N VAL A 61 6.303 -4.184 1.842 1.00 71.30 N ATOM 922 CA VAL A 61 7.444 -3.343 1.502 1.00 61.40 C ATOM 923 C VAL A 61 7.462 -3.019 0.013 1.00 31.50 C ATOM 924 O VAL A 61 7.569 -1.857 -0.379 1.00 65.10 O ATOM 925 CB VAL A 61 8.775 -4.019 1.885 1.00 52.00 C ATOM 926 CG1 VAL A 61 9.935 -3.052 1.707 1.00 24.00 C ATOM 927 CG2 VAL A 61 8.718 -4.540 3.313 1.00 10.40 C ATOM 0 H VAL A 61 6.551 -5.099 2.220 1.00 71.30 H new ATOM 0 HA VAL A 61 7.337 -2.420 2.072 1.00 61.40 H new ATOM 0 HB VAL A 61 8.935 -4.868 1.220 1.00 52.00 H new ATOM 0 HG11 VAL A 61 10.867 -3.547 1.982 1.00 24.00 H new ATOM 0 HG12 VAL A 61 9.987 -2.734 0.666 1.00 24.00 H new ATOM 0 HG13 VAL A 61 9.784 -2.181 2.345 1.00 24.00 H new ATOM 0 HG21 VAL A 61 9.667 -5.014 3.566 1.00 10.40 H new ATOM 0 HG22 VAL A 61 8.534 -3.711 3.996 1.00 10.40 H new ATOM 0 HG23 VAL A 61 7.913 -5.269 3.402 1.00 10.40 H new ATOM 937 N GLN A 62 7.355 -4.055 -0.814 1.00 50.30 N ATOM 938 CA GLN A 62 7.357 -3.880 -2.261 1.00 75.20 C ATOM 939 C GLN A 62 6.154 -3.059 -2.711 1.00 2.24 C ATOM 940 O GLN A 62 6.235 -2.297 -3.675 1.00 55.30 O ATOM 941 CB GLN A 62 7.351 -5.241 -2.960 1.00 22.50 C ATOM 942 CG GLN A 62 8.166 -5.270 -4.243 1.00 55.00 C ATOM 943 CD GLN A 62 8.178 -6.638 -4.895 1.00 72.40 C ATOM 944 OE1 GLN A 62 8.703 -7.601 -4.336 1.00 32.40 O ATOM 945 NE2 GLN A 62 7.597 -6.731 -6.086 1.00 70.20 N ATOM 0 H GLN A 62 7.266 -5.023 -0.506 1.00 50.30 H new ATOM 0 HA GLN A 62 8.264 -3.342 -2.536 1.00 75.20 H new ATOM 0 HB2 GLN A 62 7.741 -5.994 -2.275 1.00 22.50 H new ATOM 0 HB3 GLN A 62 6.322 -5.519 -3.187 1.00 22.50 H new ATOM 0 HG2 GLN A 62 7.759 -4.541 -4.944 1.00 55.00 H new ATOM 0 HG3 GLN A 62 9.190 -4.966 -4.026 1.00 55.00 H new ATOM 0 HE21 GLN A 62 7.174 -5.907 -6.513 1.00 70.20 H new ATOM 0 HE22 GLN A 62 7.574 -7.627 -6.574 1.00 70.20 H new ATOM 954 N TYR A 63 5.038 -3.219 -2.007 1.00 43.20 N ATOM 955 CA TYR A 63 3.817 -2.491 -2.334 1.00 5.43 C ATOM 956 C TYR A 63 3.983 -1.000 -2.059 1.00 10.40 C ATOM 957 O TYR A 63 3.403 -0.163 -2.751 1.00 54.20 O ATOM 958 CB TYR A 63 2.639 -3.042 -1.529 1.00 40.40 C ATOM 959 CG TYR A 63 1.900 -4.163 -2.225 1.00 63.00 C ATOM 960 CD1 TYR A 63 1.567 -4.070 -3.571 1.00 63.40 C ATOM 961 CD2 TYR A 63 1.535 -5.313 -1.537 1.00 75.30 C ATOM 962 CE1 TYR A 63 0.892 -5.092 -4.211 1.00 33.50 C ATOM 963 CE2 TYR A 63 0.860 -6.339 -2.170 1.00 42.20 C ATOM 964 CZ TYR A 63 0.541 -6.224 -3.506 1.00 42.10 C ATOM 965 OH TYR A 63 -0.132 -7.243 -4.140 1.00 51.20 O ATOM 0 H TYR A 63 4.954 -3.846 -1.207 1.00 43.20 H new ATOM 0 HA TYR A 63 3.616 -2.626 -3.397 1.00 5.43 H new ATOM 0 HB2 TYR A 63 3.004 -3.401 -0.567 1.00 40.40 H new ATOM 0 HB3 TYR A 63 1.940 -2.231 -1.322 1.00 40.40 H new ATOM 0 HD1 TYR A 63 1.840 -3.185 -4.126 1.00 63.40 H new ATOM 0 HD2 TYR A 63 1.783 -5.407 -0.490 1.00 75.30 H new ATOM 0 HE1 TYR A 63 0.641 -5.005 -5.258 1.00 33.50 H new ATOM 0 HE2 TYR A 63 0.584 -7.227 -1.621 1.00 42.20 H new ATOM 0 HH TYR A 63 -0.303 -7.968 -3.503 1.00 51.20 H new ATOM 975 N LEU A 64 4.780 -0.676 -1.046 1.00 3.41 N ATOM 976 CA LEU A 64 5.023 0.715 -0.680 1.00 43.50 C ATOM 977 C LEU A 64 5.793 1.439 -1.780 1.00 40.20 C ATOM 978 O LEU A 64 5.436 2.550 -2.173 1.00 54.00 O ATOM 979 CB LEU A 64 5.800 0.789 0.636 1.00 31.20 C ATOM 980 CG LEU A 64 5.434 1.970 1.537 1.00 54.40 C ATOM 981 CD1 LEU A 64 5.607 1.598 3.001 1.00 11.30 C ATOM 982 CD2 LEU A 64 6.282 3.185 1.190 1.00 45.50 C ATOM 0 H LEU A 64 5.268 -1.357 -0.464 1.00 3.41 H new ATOM 0 HA LEU A 64 4.058 1.206 -0.552 1.00 43.50 H new ATOM 0 HB2 LEU A 64 5.636 -0.135 1.190 1.00 31.20 H new ATOM 0 HB3 LEU A 64 6.865 0.841 0.409 1.00 31.20 H new ATOM 0 HG LEU A 64 4.387 2.221 1.369 1.00 54.40 H new ATOM 0 HD11 LEU A 64 5.342 2.450 3.627 1.00 11.30 H new ATOM 0 HD12 LEU A 64 4.958 0.756 3.241 1.00 11.30 H new ATOM 0 HD13 LEU A 64 6.645 1.321 3.186 1.00 11.30 H new ATOM 0 HD21 LEU A 64 6.009 4.017 1.840 1.00 45.50 H new ATOM 0 HD22 LEU A 64 7.336 2.945 1.330 1.00 45.50 H new ATOM 0 HD23 LEU A 64 6.109 3.465 0.151 1.00 45.50 H new ATOM 994 N ASP A 65 6.850 0.802 -2.274 1.00 62.30 N ATOM 995 CA ASP A 65 7.669 1.385 -3.329 1.00 65.10 C ATOM 996 C ASP A 65 6.841 1.636 -4.585 1.00 53.50 C ATOM 997 O ASP A 65 7.060 2.613 -5.301 1.00 63.10 O ATOM 998 CB ASP A 65 8.847 0.466 -3.656 1.00 62.40 C ATOM 999 CG ASP A 65 10.098 1.238 -4.028 1.00 22.30 C ATOM 1000 OD1 ASP A 65 10.160 1.758 -5.162 1.00 51.20 O ATOM 1001 OD2 ASP A 65 11.015 1.324 -3.184 1.00 22.30 O ATOM 0 H ASP A 65 7.159 -0.118 -1.960 1.00 62.30 H new ATOM 0 HA ASP A 65 8.051 2.341 -2.971 1.00 65.10 H new ATOM 0 HB2 ASP A 65 9.058 -0.169 -2.796 1.00 62.40 H new ATOM 0 HB3 ASP A 65 8.572 -0.193 -4.479 1.00 62.40 H new ATOM 1006 N ARG A 66 5.888 0.747 -4.846 1.00 35.20 N ATOM 1007 CA ARG A 66 5.026 0.872 -6.015 1.00 45.20 C ATOM 1008 C ARG A 66 4.050 2.032 -5.850 1.00 2.33 C ATOM 1009 O ARG A 66 3.770 2.761 -6.801 1.00 70.20 O ATOM 1010 CB ARG A 66 4.255 -0.429 -6.248 1.00 31.10 C ATOM 1011 CG ARG A 66 4.029 -0.748 -7.716 1.00 20.50 C ATOM 1012 CD ARG A 66 3.789 -2.233 -7.934 1.00 35.30 C ATOM 1013 NE ARG A 66 3.080 -2.496 -9.184 1.00 12.30 N ATOM 1014 CZ ARG A 66 3.655 -2.461 -10.380 1.00 70.00 C ATOM 1015 NH1 ARG A 66 4.946 -2.176 -10.500 1.00 74.40 N ATOM 1016 NH2 ARG A 66 2.937 -2.713 -11.470 1.00 24.50 N ATOM 0 H ARG A 66 5.693 -0.068 -4.264 1.00 35.20 H new ATOM 0 HA ARG A 66 5.657 1.072 -6.881 1.00 45.20 H new ATOM 0 HB2 ARG A 66 4.800 -1.252 -5.786 1.00 31.10 H new ATOM 0 HB3 ARG A 66 3.290 -0.364 -5.746 1.00 31.10 H new ATOM 0 HG2 ARG A 66 3.173 -0.182 -8.085 1.00 20.50 H new ATOM 0 HG3 ARG A 66 4.895 -0.430 -8.296 1.00 20.50 H new ATOM 0 HD2 ARG A 66 4.745 -2.757 -7.942 1.00 35.30 H new ATOM 0 HD3 ARG A 66 3.213 -2.633 -7.100 1.00 35.30 H new ATOM 0 HE ARG A 66 2.086 -2.719 -9.135 1.00 12.30 H new ATOM 0 HH11 ARG A 66 5.505 -1.982 -9.669 1.00 74.40 H new ATOM 0 HH12 ARG A 66 5.379 -2.151 -11.423 1.00 74.40 H new ATOM 0 HH21 ARG A 66 1.944 -2.933 -11.387 1.00 24.50 H new ATOM 0 HH22 ARG A 66 3.379 -2.686 -12.389 1.00 24.50 H new ATOM 1030 N ALA A 67 3.536 2.198 -4.635 1.00 4.25 N ATOM 1031 CA ALA A 67 2.591 3.270 -4.345 1.00 30.30 C ATOM 1032 C ALA A 67 3.211 4.636 -4.619 1.00 74.40 C ATOM 1033 O ALA A 67 2.691 5.416 -5.417 1.00 62.20 O ATOM 1034 CB ALA A 67 2.120 3.181 -2.901 1.00 71.50 C ATOM 0 H ALA A 67 3.758 1.604 -3.836 1.00 4.25 H new ATOM 0 HA ALA A 67 1.731 3.152 -5.004 1.00 30.30 H new ATOM 0 HB1 ALA A 67 1.415 3.987 -2.698 1.00 71.50 H new ATOM 0 HB2 ALA A 67 1.631 2.221 -2.736 1.00 71.50 H new ATOM 0 HB3 ALA A 67 2.976 3.271 -2.233 1.00 71.50 H new ATOM 1040 N GLU A 68 4.325 4.919 -3.952 1.00 3.51 N ATOM 1041 CA GLU A 68 5.016 6.192 -4.123 1.00 73.00 C ATOM 1042 C GLU A 68 5.405 6.410 -5.582 1.00 2.05 C ATOM 1043 O GLU A 68 5.465 7.544 -6.057 1.00 11.30 O ATOM 1044 CB GLU A 68 6.263 6.243 -3.238 1.00 13.20 C ATOM 1045 CG GLU A 68 7.204 5.067 -3.445 1.00 62.50 C ATOM 1046 CD GLU A 68 8.301 5.368 -4.448 1.00 11.50 C ATOM 1047 OE1 GLU A 68 8.129 6.309 -5.251 1.00 12.00 O ATOM 1048 OE2 GLU A 68 9.331 4.662 -4.430 1.00 71.10 O ATOM 0 H GLU A 68 4.769 4.284 -3.288 1.00 3.51 H new ATOM 0 HA GLU A 68 4.334 6.989 -3.825 1.00 73.00 H new ATOM 0 HB2 GLU A 68 6.802 7.169 -3.438 1.00 13.20 H new ATOM 0 HB3 GLU A 68 5.956 6.272 -2.193 1.00 13.20 H new ATOM 0 HG2 GLU A 68 7.654 4.794 -2.491 1.00 62.50 H new ATOM 0 HG3 GLU A 68 6.632 4.204 -3.786 1.00 62.50 H new ATOM 1055 N LYS A 69 5.668 5.315 -6.289 1.00 54.30 N ATOM 1056 CA LYS A 69 6.050 5.386 -7.694 1.00 4.11 C ATOM 1057 C LYS A 69 4.870 5.818 -8.559 1.00 14.00 C ATOM 1058 O LYS A 69 5.047 6.462 -9.592 1.00 5.34 O ATOM 1059 CB LYS A 69 6.578 4.032 -8.170 1.00 12.10 C ATOM 1060 CG LYS A 69 7.194 4.072 -9.559 1.00 51.20 C ATOM 1061 CD LYS A 69 7.604 2.686 -10.020 1.00 22.40 C ATOM 1062 CE LYS A 69 7.890 2.664 -11.520 1.00 40.50 C ATOM 1063 NZ LYS A 69 8.829 1.569 -11.890 1.00 63.40 N ATOM 0 H LYS A 69 5.623 4.369 -5.911 1.00 54.30 H new ATOM 0 HA LYS A 69 6.840 6.131 -7.792 1.00 4.11 H new ATOM 0 HB2 LYS A 69 7.324 3.673 -7.461 1.00 12.10 H new ATOM 0 HB3 LYS A 69 5.761 3.311 -8.165 1.00 12.10 H new ATOM 0 HG2 LYS A 69 6.479 4.495 -10.264 1.00 51.20 H new ATOM 0 HG3 LYS A 69 8.064 4.728 -9.555 1.00 51.20 H new ATOM 0 HD2 LYS A 69 8.491 2.366 -9.473 1.00 22.40 H new ATOM 0 HD3 LYS A 69 6.812 1.974 -9.788 1.00 22.40 H new ATOM 0 HE2 LYS A 69 6.955 2.540 -12.066 1.00 40.50 H new ATOM 0 HE3 LYS A 69 8.312 3.622 -11.823 1.00 40.50 H new ATOM 0 HZ1 LYS A 69 8.997 1.588 -12.916 1.00 63.40 H new ATOM 0 HZ2 LYS A 69 9.731 1.701 -11.389 1.00 63.40 H new ATOM 0 HZ3 LYS A 69 8.416 0.653 -11.624 1.00 63.40 H new ATOM 1077 N LEU A 70 3.665 5.458 -8.128 1.00 73.50 N ATOM 1078 CA LEU A 70 2.455 5.809 -8.863 1.00 72.40 C ATOM 1079 C LEU A 70 2.102 7.278 -8.661 1.00 33.20 C ATOM 1080 O LEU A 70 1.851 8.005 -9.622 1.00 24.40 O ATOM 1081 CB LEU A 70 1.288 4.925 -8.417 1.00 43.20 C ATOM 1082 CG LEU A 70 1.475 3.428 -8.669 1.00 73.10 C ATOM 1083 CD1 LEU A 70 0.760 2.613 -7.603 1.00 74.00 C ATOM 1084 CD2 LEU A 70 0.971 3.056 -10.050 1.00 3.50 C ATOM 0 H LEU A 70 3.501 4.924 -7.275 1.00 73.50 H new ATOM 0 HA LEU A 70 2.643 5.643 -9.924 1.00 72.40 H new ATOM 0 HB2 LEU A 70 1.122 5.080 -7.351 1.00 43.20 H new ATOM 0 HB3 LEU A 70 0.385 5.254 -8.932 1.00 43.20 H new ATOM 0 HG LEU A 70 2.540 3.201 -8.617 1.00 73.10 H new ATOM 0 HD11 LEU A 70 0.905 1.551 -7.799 1.00 74.00 H new ATOM 0 HD12 LEU A 70 1.167 2.860 -6.622 1.00 74.00 H new ATOM 0 HD13 LEU A 70 -0.305 2.844 -7.622 1.00 74.00 H new ATOM 0 HD21 LEU A 70 1.112 1.987 -10.213 1.00 3.50 H new ATOM 0 HD22 LEU A 70 -0.089 3.299 -10.128 1.00 3.50 H new ATOM 0 HD23 LEU A 70 1.527 3.614 -10.803 1.00 3.50 H new ATOM 1096 N LYS A 71 2.084 7.710 -7.404 1.00 51.40 N ATOM 1097 CA LYS A 71 1.762 9.094 -7.075 1.00 63.50 C ATOM 1098 C LYS A 71 2.769 10.051 -7.705 1.00 44.50 C ATOM 1099 O LYS A 71 2.429 11.179 -8.060 1.00 1.15 O ATOM 1100 CB LYS A 71 1.736 9.287 -5.558 1.00 35.10 C ATOM 1101 CG LYS A 71 1.365 10.698 -5.131 1.00 44.10 C ATOM 1102 CD LYS A 71 1.428 10.857 -3.620 1.00 52.10 C ATOM 1103 CE LYS A 71 0.050 10.730 -2.989 1.00 60.10 C ATOM 1104 NZ LYS A 71 -0.500 9.353 -3.130 1.00 65.40 N ATOM 0 H LYS A 71 2.289 7.121 -6.596 1.00 51.40 H new ATOM 0 HA LYS A 71 0.774 9.317 -7.479 1.00 63.50 H new ATOM 0 HB2 LYS A 71 1.024 8.586 -5.123 1.00 35.10 H new ATOM 0 HB3 LYS A 71 2.717 9.039 -5.152 1.00 35.10 H new ATOM 0 HG2 LYS A 71 2.041 11.412 -5.602 1.00 44.10 H new ATOM 0 HG3 LYS A 71 0.360 10.933 -5.481 1.00 44.10 H new ATOM 0 HD2 LYS A 71 2.092 10.101 -3.201 1.00 52.10 H new ATOM 0 HD3 LYS A 71 1.855 11.829 -3.373 1.00 52.10 H new ATOM 0 HE2 LYS A 71 0.109 10.991 -1.932 1.00 60.10 H new ATOM 0 HE3 LYS A 71 -0.630 11.442 -3.456 1.00 60.10 H new ATOM 0 HZ1 LYS A 71 -1.316 9.238 -2.495 1.00 65.40 H new ATOM 0 HZ2 LYS A 71 -0.802 9.199 -4.113 1.00 65.40 H new ATOM 0 HZ3 LYS A 71 0.233 8.659 -2.880 1.00 65.40 H new ATOM 1118 N ASP A 72 4.009 9.592 -7.839 1.00 71.10 N ATOM 1119 CA ASP A 72 5.066 10.407 -8.426 1.00 1.11 C ATOM 1120 C ASP A 72 4.952 10.432 -9.947 1.00 42.10 C ATOM 1121 O ASP A 72 5.302 11.422 -10.590 1.00 72.20 O ATOM 1122 CB ASP A 72 6.439 9.873 -8.015 1.00 60.00 C ATOM 1123 CG ASP A 72 7.525 10.924 -8.128 1.00 54.10 C ATOM 1124 OD1 ASP A 72 7.579 11.613 -9.168 1.00 71.20 O ATOM 1125 OD2 ASP A 72 8.323 11.058 -7.176 1.00 61.20 O ATOM 0 H ASP A 72 4.306 8.660 -7.549 1.00 71.10 H new ATOM 0 HA ASP A 72 4.954 11.425 -8.054 1.00 1.11 H new ATOM 0 HB2 ASP A 72 6.393 9.511 -6.988 1.00 60.00 H new ATOM 0 HB3 ASP A 72 6.696 9.019 -8.642 1.00 60.00 H new ATOM 1130 N TYR A 73 4.460 9.337 -10.510 1.00 52.50 N ATOM 1131 CA TYR A 73 4.300 9.233 -11.960 1.00 12.30 C ATOM 1132 C TYR A 73 3.356 10.312 -12.480 1.00 11.20 C ATOM 1133 O TYR A 73 3.627 10.948 -13.500 1.00 15.10 O ATOM 1134 CB TYR A 73 3.770 7.849 -12.340 1.00 65.40 C ATOM 1135 CG TYR A 73 3.615 7.644 -13.830 1.00 14.40 C ATOM 1136 CD1 TYR A 73 4.712 7.338 -14.620 1.00 64.20 C ATOM 1137 CD2 TYR A 73 2.373 7.757 -14.440 1.00 23.10 C ATOM 1138 CE1 TYR A 73 4.575 7.151 -15.980 1.00 32.50 C ATOM 1139 CE2 TYR A 73 2.228 7.570 -15.800 1.00 70.40 C ATOM 1140 CZ TYR A 73 3.332 7.268 -16.570 1.00 52.20 C ATOM 1141 OH TYR A 73 3.191 7.081 -17.920 1.00 13.00 O ATOM 0 H TYR A 73 4.165 8.510 -9.991 1.00 52.50 H new ATOM 0 HA TYR A 73 5.278 9.377 -12.419 1.00 12.30 H new ATOM 0 HB2 TYR A 73 4.447 7.090 -11.947 1.00 65.40 H new ATOM 0 HB3 TYR A 73 2.804 7.695 -11.859 1.00 65.40 H new ATOM 0 HD1 TYR A 73 5.687 7.245 -14.165 1.00 64.20 H new ATOM 0 HD2 TYR A 73 1.506 7.995 -13.841 1.00 23.10 H new ATOM 0 HE1 TYR A 73 5.439 6.913 -16.583 1.00 32.50 H new ATOM 0 HE2 TYR A 73 1.255 7.660 -16.259 1.00 70.40 H new ATOM 0 HH TYR A 73 2.251 7.199 -18.170 1.00 13.00 H new ATOM 1151 N LEU A 74 2.248 10.512 -11.770 1.00 41.30 N ATOM 1152 CA LEU A 74 1.264 11.514 -12.170 1.00 1.12 C ATOM 1153 C LEU A 74 1.727 12.914 -11.780 1.00 64.10 C ATOM 1154 O LEU A 74 1.560 13.868 -12.540 1.00 41.40 O ATOM 1155 CB LEU A 74 -0.088 11.213 -11.520 1.00 42.30 C ATOM 1156 CG LEU A 74 -0.790 9.957 -12.030 1.00 2.11 C ATOM 1157 CD1 LEU A 74 -1.603 9.305 -10.930 1.00 74.20 C ATOM 1158 CD2 LEU A 74 -1.679 10.295 -13.220 1.00 74.00 C ATOM 0 H LEU A 74 2.010 9.998 -10.922 1.00 41.30 H new ATOM 0 HA LEU A 74 1.157 11.474 -13.254 1.00 1.12 H new ATOM 0 HB2 LEU A 74 0.058 11.117 -10.444 1.00 42.30 H new ATOM 0 HB3 LEU A 74 -0.747 12.067 -11.677 1.00 42.30 H new ATOM 0 HG LEU A 74 -0.028 9.248 -12.352 1.00 2.11 H new ATOM 0 HD11 LEU A 74 -2.093 8.413 -11.320 1.00 74.20 H new ATOM 0 HD12 LEU A 74 -0.945 9.027 -10.107 1.00 74.20 H new ATOM 0 HD13 LEU A 74 -2.357 10.005 -10.571 1.00 74.20 H new ATOM 0 HD21 LEU A 74 -2.173 9.390 -13.573 1.00 74.00 H new ATOM 0 HD22 LEU A 74 -2.430 11.024 -12.917 1.00 74.00 H new ATOM 0 HD23 LEU A 74 -1.070 10.713 -14.022 1.00 74.00 H new ATOM 1170 N ARG A 75 2.311 13.029 -10.590 1.00 3.33 N ATOM 1171 CA ARG A 75 2.799 14.313 -10.100 1.00 3.40 C ATOM 1172 C ARG A 75 3.954 14.819 -10.960 1.00 4.32 C ATOM 1173 O ARG A 75 4.115 16.024 -11.150 1.00 15.40 O ATOM 1174 CB ARG A 75 3.248 14.189 -8.646 1.00 11.10 C ATOM 1175 CG ARG A 75 2.135 14.446 -7.643 1.00 32.30 C ATOM 1176 CD ARG A 75 2.560 14.074 -6.232 1.00 34.40 C ATOM 1177 NE ARG A 75 3.586 14.976 -5.713 1.00 31.30 N ATOM 1178 CZ ARG A 75 3.901 15.077 -4.424 1.00 30.30 C ATOM 1179 NH1 ARG A 75 3.274 14.334 -3.520 1.00 13.20 N ATOM 1180 NH2 ARG A 75 4.847 15.922 -4.037 1.00 33.20 N ATOM 0 H ARG A 75 2.457 12.249 -9.949 1.00 3.33 H new ATOM 0 HA ARG A 75 1.982 15.032 -10.160 1.00 3.40 H new ATOM 0 HB2 ARG A 75 3.650 13.189 -8.482 1.00 11.10 H new ATOM 0 HB3 ARG A 75 4.060 14.893 -8.464 1.00 11.10 H new ATOM 0 HG2 ARG A 75 1.852 15.498 -7.673 1.00 32.30 H new ATOM 0 HG3 ARG A 75 1.252 13.870 -7.922 1.00 32.30 H new ATOM 0 HD2 ARG A 75 1.691 14.096 -5.574 1.00 34.40 H new ATOM 0 HD3 ARG A 75 2.939 13.052 -6.225 1.00 34.40 H new ATOM 0 HE ARG A 75 4.090 15.563 -6.378 1.00 31.30 H new ATOM 0 HH11 ARG A 75 2.547 13.681 -3.812 1.00 13.20 H new ATOM 0 HH12 ARG A 75 3.520 14.416 -2.533 1.00 13.20 H new ATOM 0 HH21 ARG A 75 5.333 16.494 -4.727 1.00 33.20 H new ATOM 0 HH22 ARG A 75 5.089 16.000 -3.049 1.00 33.20 H new ATOM 1195 N GLU B 115 10.358 -3.445 10.011 1.00 32.20 N ATOM 1196 CA GLU B 115 8.952 -3.077 10.129 1.00 65.00 C ATOM 1197 C GLU B 115 8.787 -1.561 10.175 1.00 62.50 C ATOM 1198 O GLU B 115 7.778 -1.022 9.722 1.00 41.20 O ATOM 1199 CB GLU B 115 8.342 -3.706 11.384 1.00 4.44 C ATOM 1200 CG GLU B 115 6.898 -4.143 11.205 1.00 2.41 C ATOM 1201 CD GLU B 115 5.989 -2.999 10.799 1.00 22.00 C ATOM 1202 OE1 GLU B 115 5.943 -1.989 11.531 1.00 32.50 O ATOM 1203 OE2 GLU B 115 5.324 -3.114 9.748 1.00 35.30 O ATOM 0 HA GLU B 115 8.429 -3.454 9.250 1.00 65.00 H new ATOM 0 HB2 GLU B 115 8.941 -4.569 11.675 1.00 4.44 H new ATOM 0 HB3 GLU B 115 8.397 -2.989 12.203 1.00 4.44 H new ATOM 0 HG2 GLU B 115 6.850 -4.926 10.448 1.00 2.41 H new ATOM 0 HG3 GLU B 115 6.535 -4.577 12.137 1.00 2.41 H new ATOM 1210 N ASP B 116 9.785 -0.879 10.728 1.00 24.20 N ATOM 1211 CA ASP B 116 9.751 0.575 10.834 1.00 63.10 C ATOM 1212 C ASP B 116 10.139 1.232 9.512 1.00 63.20 C ATOM 1213 O ASP B 116 9.746 2.365 9.234 1.00 43.10 O ATOM 1214 CB ASP B 116 10.692 1.047 11.945 1.00 73.30 C ATOM 1215 CG ASP B 116 10.136 2.234 12.707 1.00 44.00 C ATOM 1216 OD1 ASP B 116 9.936 3.298 12.084 1.00 42.40 O ATOM 1217 OD2 ASP B 116 9.901 2.100 13.926 1.00 61.40 O ATOM 0 H ASP B 116 10.627 -1.310 11.110 1.00 24.20 H new ATOM 0 HA ASP B 116 8.730 0.870 11.077 1.00 63.10 H new ATOM 0 HB2 ASP B 116 10.872 0.225 12.638 1.00 73.30 H new ATOM 0 HB3 ASP B 116 11.655 1.316 11.512 1.00 73.30 H new ATOM 1222 N GLN B 117 10.913 0.516 8.701 1.00 41.00 N ATOM 1223 CA GLN B 117 11.353 1.034 7.410 1.00 54.50 C ATOM 1224 C GLN B 117 10.161 1.410 6.535 1.00 10.20 C ATOM 1225 O GLN B 117 10.010 2.565 6.138 1.00 33.30 O ATOM 1226 CB GLN B 117 12.222 -0.002 6.693 1.00 22.00 C ATOM 1227 CG GLN B 117 13.710 0.176 6.941 1.00 12.40 C ATOM 1228 CD GLN B 117 14.056 0.202 8.418 1.00 22.50 C ATOM 1229 OE1 GLN B 117 13.428 0.914 9.202 1.00 33.20 O ATOM 1230 NE2 GLN B 117 15.060 -0.577 8.804 1.00 64.50 N ATOM 0 H GLN B 117 11.248 -0.423 8.915 1.00 41.00 H new ATOM 0 HA GLN B 117 11.943 1.933 7.590 1.00 54.50 H new ATOM 0 HB2 GLN B 117 11.925 -1.000 7.017 1.00 22.00 H new ATOM 0 HB3 GLN B 117 12.031 0.055 5.621 1.00 22.00 H new ATOM 0 HG2 GLN B 117 14.255 -0.635 6.458 1.00 12.40 H new ATOM 0 HG3 GLN B 117 14.044 1.104 6.477 1.00 12.40 H new ATOM 0 HE21 GLN B 117 15.553 -1.151 8.120 1.00 64.50 H new ATOM 0 HE22 GLN B 117 15.338 -0.602 9.785 1.00 64.50 H new ATOM 1239 N LEU B 118 9.318 0.427 6.236 1.00 4.23 N ATOM 1240 CA LEU B 118 8.141 0.656 5.406 1.00 22.10 C ATOM 1241 C LEU B 118 7.074 1.431 6.173 1.00 34.10 C ATOM 1242 O LEU B 118 6.308 2.196 5.588 1.00 14.40 O ATOM 1243 CB LEU B 118 7.568 -0.675 4.916 1.00 33.20 C ATOM 1244 CG LEU B 118 7.083 -1.618 6.020 1.00 43.20 C ATOM 1245 CD1 LEU B 118 5.766 -2.271 5.627 1.00 54.30 C ATOM 1246 CD2 LEU B 118 8.136 -2.676 6.318 1.00 72.30 C ATOM 0 H LEU B 118 9.428 -0.535 6.556 1.00 4.23 H new ATOM 0 HA LEU B 118 8.447 1.251 4.545 1.00 22.10 H new ATOM 0 HB2 LEU B 118 6.735 -0.469 4.244 1.00 33.20 H new ATOM 0 HB3 LEU B 118 8.331 -1.188 4.330 1.00 33.20 H new ATOM 0 HG LEU B 118 6.918 -1.032 6.924 1.00 43.20 H new ATOM 0 HD11 LEU B 118 5.438 -2.937 6.425 1.00 54.30 H new ATOM 0 HD12 LEU B 118 5.012 -1.501 5.465 1.00 54.30 H new ATOM 0 HD13 LEU B 118 5.903 -2.843 4.710 1.00 54.30 H new ATOM 0 HD21 LEU B 118 7.774 -3.338 7.105 1.00 72.30 H new ATOM 0 HD22 LEU B 118 8.333 -3.257 5.417 1.00 72.30 H new ATOM 0 HD23 LEU B 118 9.056 -2.192 6.645 1.00 72.30 H new ATOM 1258 N SER B 119 7.030 1.227 7.485 1.00 32.40 N ATOM 1259 CA SER B 119 6.056 1.908 8.331 1.00 23.10 C ATOM 1260 C SER B 119 6.252 3.419 8.279 1.00 52.50 C ATOM 1261 O SER B 119 5.284 4.180 8.246 1.00 1.24 O ATOM 1262 CB SER B 119 6.172 1.417 9.775 1.00 31.10 C ATOM 1263 OG SER B 119 5.216 2.050 10.608 1.00 21.00 O ATOM 0 H SER B 119 7.656 0.597 7.986 1.00 32.40 H new ATOM 0 HA SER B 119 5.060 1.676 7.954 1.00 23.10 H new ATOM 0 HB2 SER B 119 6.029 0.337 9.808 1.00 31.10 H new ATOM 0 HB3 SER B 119 7.175 1.617 10.151 1.00 31.10 H new ATOM 0 HG SER B 119 5.310 1.718 11.525 1.00 21.00 H new ATOM 1269 N ARG B 120 7.510 3.848 8.271 1.00 62.30 N ATOM 1270 CA ARG B 120 7.832 5.269 8.222 1.00 44.10 C ATOM 1271 C ARG B 120 7.504 5.855 6.852 1.00 15.40 C ATOM 1272 O ARG B 120 6.895 6.920 6.751 1.00 62.50 O ATOM 1273 CB ARG B 120 9.312 5.489 8.542 1.00 3.02 C ATOM 1274 CG ARG B 120 9.584 6.771 9.313 1.00 61.20 C ATOM 1275 CD ARG B 120 10.904 7.404 8.899 1.00 11.40 C ATOM 1276 NE ARG B 120 11.913 7.302 9.951 1.00 21.10 N ATOM 1277 CZ ARG B 120 12.628 6.204 10.189 1.00 44.40 C ATOM 1278 NH1 ARG B 120 12.448 5.113 9.454 1.00 24.50 N ATOM 1279 NH2 ARG B 120 13.525 6.197 11.165 1.00 55.10 N ATOM 0 H ARG B 120 8.323 3.232 8.298 1.00 62.30 H new ATOM 0 HA ARG B 120 7.225 5.779 8.970 1.00 44.10 H new ATOM 0 HB2 ARG B 120 9.680 4.642 9.121 1.00 3.02 H new ATOM 0 HB3 ARG B 120 9.878 5.508 7.610 1.00 3.02 H new ATOM 0 HG2 ARG B 120 8.772 7.478 9.143 1.00 61.20 H new ATOM 0 HG3 ARG B 120 9.602 6.557 10.382 1.00 61.20 H new ATOM 0 HD2 ARG B 120 11.272 6.918 7.995 1.00 11.40 H new ATOM 0 HD3 ARG B 120 10.742 8.453 8.653 1.00 11.40 H new ATOM 0 HE ARG B 120 12.079 8.120 10.537 1.00 21.10 H new ATOM 0 HH11 ARG B 120 11.759 5.113 8.702 1.00 24.50 H new ATOM 0 HH12 ARG B 120 12.999 4.275 9.641 1.00 24.50 H new ATOM 0 HH21 ARG B 120 13.667 7.032 11.733 1.00 55.10 H new ATOM 0 HH22 ARG B 120 14.073 5.356 11.348 1.00 55.10 H new ATOM 1293 N ARG B 121 7.912 5.152 5.801 1.00 34.10 N ATOM 1294 CA ARG B 121 7.661 5.602 4.437 1.00 61.30 C ATOM 1295 C ARG B 121 6.164 5.713 4.167 1.00 62.30 C ATOM 1296 O ARG B 121 5.714 6.626 3.474 1.00 61.50 O ATOM 1297 CB ARG B 121 8.301 4.640 3.434 1.00 20.50 C ATOM 1298 CG ARG B 121 9.820 4.618 3.497 1.00 44.30 C ATOM 1299 CD ARG B 121 10.378 3.289 3.012 1.00 45.40 C ATOM 1300 NE ARG B 121 10.811 3.354 1.619 1.00 23.00 N ATOM 1301 CZ ARG B 121 11.484 2.382 1.006 1.00 62.30 C ATOM 1302 NH1 ARG B 121 11.801 1.271 1.659 1.00 71.40 N ATOM 1303 NH2 ARG B 121 11.840 2.521 -0.264 1.00 1.51 N ATOM 0 H ARG B 121 8.418 4.269 5.868 1.00 34.10 H new ATOM 0 HA ARG B 121 8.108 6.589 4.319 1.00 61.30 H new ATOM 0 HB2 ARG B 121 7.923 3.634 3.616 1.00 20.50 H new ATOM 0 HB3 ARG B 121 7.991 4.919 2.427 1.00 20.50 H new ATOM 0 HG2 ARG B 121 10.222 5.427 2.887 1.00 44.30 H new ATOM 0 HG3 ARG B 121 10.146 4.799 4.521 1.00 44.30 H new ATOM 0 HD2 ARG B 121 11.220 2.998 3.640 1.00 45.40 H new ATOM 0 HD3 ARG B 121 9.618 2.515 3.120 1.00 45.40 H new ATOM 0 HE ARG B 121 10.585 4.193 1.084 1.00 23.00 H new ATOM 0 HH11 ARG B 121 11.529 1.158 2.636 1.00 71.40 H new ATOM 0 HH12 ARG B 121 12.317 0.530 1.184 1.00 71.40 H new ATOM 0 HH21 ARG B 121 11.598 3.372 -0.771 1.00 1.51 H new ATOM 0 HH22 ARG B 121 12.355 1.777 -0.734 1.00 1.51 H new ATOM 1317 N LEU B 122 5.397 4.779 4.719 1.00 25.10 N ATOM 1318 CA LEU B 122 3.950 4.772 4.539 1.00 35.10 C ATOM 1319 C LEU B 122 3.328 6.053 5.085 1.00 13.40 C ATOM 1320 O LEU B 122 2.534 6.707 4.409 1.00 13.50 O ATOM 1321 CB LEU B 122 3.334 3.556 5.232 1.00 54.20 C ATOM 1322 CG LEU B 122 2.110 2.963 4.533 1.00 32.20 C ATOM 1323 CD1 LEU B 122 1.757 1.610 5.132 1.00 4.52 C ATOM 1324 CD2 LEU B 122 0.928 3.916 4.630 1.00 54.10 C ATOM 0 H LEU B 122 5.754 4.017 5.295 1.00 25.10 H new ATOM 0 HA LEU B 122 3.742 4.715 3.470 1.00 35.10 H new ATOM 0 HB2 LEU B 122 4.096 2.781 5.317 1.00 54.20 H new ATOM 0 HB3 LEU B 122 3.052 3.839 6.246 1.00 54.20 H new ATOM 0 HG LEU B 122 2.350 2.819 3.480 1.00 32.20 H new ATOM 0 HD11 LEU B 122 0.884 1.203 4.622 1.00 4.52 H new ATOM 0 HD12 LEU B 122 2.598 0.928 5.011 1.00 4.52 H new ATOM 0 HD13 LEU B 122 1.536 1.728 6.193 1.00 4.52 H new ATOM 0 HD21 LEU B 122 0.066 3.478 4.127 1.00 54.10 H new ATOM 0 HD22 LEU B 122 0.687 4.091 5.678 1.00 54.10 H new ATOM 0 HD23 LEU B 122 1.184 4.862 4.154 1.00 54.10 H new ATOM 1336 N ALA B 123 3.694 6.405 6.313 1.00 34.10 N ATOM 1337 CA ALA B 123 3.172 7.608 6.951 1.00 70.50 C ATOM 1338 C ALA B 123 3.523 8.853 6.144 1.00 51.10 C ATOM 1339 O ALA B 123 2.774 9.831 6.135 1.00 72.20 O ATOM 1340 CB ALA B 123 3.708 7.728 8.369 1.00 22.20 C ATOM 0 H ALA B 123 4.350 5.874 6.886 1.00 34.10 H new ATOM 0 HA ALA B 123 2.086 7.526 6.991 1.00 70.50 H new ATOM 0 HB1 ALA B 123 3.310 8.630 8.833 1.00 22.20 H new ATOM 0 HB2 ALA B 123 3.402 6.857 8.948 1.00 22.20 H new ATOM 0 HB3 ALA B 123 4.796 7.783 8.343 1.00 22.20 H new ATOM 1346 N ALA B 124 4.665 8.811 5.467 1.00 52.40 N ATOM 1347 CA ALA B 124 5.115 9.936 4.656 1.00 1.24 C ATOM 1348 C ALA B 124 4.430 9.940 3.294 1.00 20.30 C ATOM 1349 O ALA B 124 4.124 10.999 2.746 1.00 2.11 O ATOM 1350 CB ALA B 124 6.627 9.893 4.488 1.00 22.10 C ATOM 0 H ALA B 124 5.296 8.010 5.464 1.00 52.40 H new ATOM 0 HA ALA B 124 4.843 10.856 5.173 1.00 1.24 H new ATOM 0 HB1 ALA B 124 6.950 10.738 3.880 1.00 22.10 H new ATOM 0 HB2 ALA B 124 7.104 9.947 5.467 1.00 22.10 H new ATOM 0 HB3 ALA B 124 6.912 8.963 3.996 1.00 22.10 H new ATOM 1356 N LEU B 125 4.191 8.750 2.754 1.00 34.20 N ATOM 1357 CA LEU B 125 3.541 8.617 1.455 1.00 11.10 C ATOM 1358 C LEU B 125 2.148 9.238 1.478 1.00 52.20 C ATOM 1359 O LEU B 125 1.758 9.946 0.549 1.00 42.50 O ATOM 1360 CB LEU B 125 3.448 7.142 1.057 1.00 10.10 C ATOM 1361 CG LEU B 125 2.834 6.881 -0.320 1.00 71.20 C ATOM 1362 CD1 LEU B 125 3.474 5.662 -0.966 1.00 43.10 C ATOM 1363 CD2 LEU B 125 1.329 6.698 -0.205 1.00 52.30 C ATOM 0 H LEU B 125 4.437 7.864 3.195 1.00 34.20 H new ATOM 0 HA LEU B 125 4.144 9.148 0.718 1.00 11.10 H new ATOM 0 HB2 LEU B 125 4.449 6.711 1.079 1.00 10.10 H new ATOM 0 HB3 LEU B 125 2.858 6.615 1.807 1.00 10.10 H new ATOM 0 HG LEU B 125 3.027 7.746 -0.954 1.00 71.20 H new ATOM 0 HD11 LEU B 125 3.025 5.491 -1.945 1.00 43.10 H new ATOM 0 HD12 LEU B 125 4.544 5.832 -1.082 1.00 43.10 H new ATOM 0 HD13 LEU B 125 3.312 4.788 -0.335 1.00 43.10 H new ATOM 0 HD21 LEU B 125 0.908 6.513 -1.193 1.00 52.30 H new ATOM 0 HD22 LEU B 125 1.114 5.850 0.445 1.00 52.30 H new ATOM 0 HD23 LEU B 125 0.884 7.600 0.216 1.00 52.30 H new