USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 560 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: B 1 GLY N :NH3+ 164:sc= 1.28 (180deg=0) USER MOD Set 1.2: B 5 GLN : amide:sc= 0.0131 K(o=1.3,f=-3.3) USER MOD Set 2.1: A 1 GLY N :NH3+ 177:sc= 1.31 (180deg=0) USER MOD Set 2.2: A 5 GLN : amide:sc= 0.0822 K(o=1.4,f=-3.4) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00384 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= -0.0331 (180deg=-0.226) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 37:sc= 1.18 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -3.72! C(o=-3.7!,f=-9.3!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 1.2 K(o=1.2,f=-3.8!) USER MOD Single : A 22 ASN : amide:sc= -0.0285 K(o=-0.029,f=-1.3!) USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= 0.133 (180deg=-0.401) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc=-0.00508 USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ -165:sc= -0.0265 (180deg=-0.245) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 62:sc= 1.16 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 ASN : amide:sc= -3.46! C(o=-3.5!,f=-9.2!) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.1!) USER MOD Single : B 22 ASN : amide:sc= -0.0493 K(o=-0.049,f=-1.3!) USER MOD Single : B 28 LYS NZ :NH3+ -158:sc= 0.207 (180deg=-0.281) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.193 -5.792 -6.828 1.00 0.00 N ATOM 2 CA GLY A 1 -24.079 -5.602 -5.363 1.00 0.00 C ATOM 3 C GLY A 1 -23.331 -4.334 -5.019 1.00 0.00 C ATOM 4 O GLY A 1 -23.089 -3.498 -5.890 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.667 -6.697 -7.025 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.749 -5.014 -7.237 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.243 -5.799 -7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.075 -5.568 -4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.566 -6.458 -4.924 1.00 0.00 H new ATOM 10 N SER A 2 -22.953 -4.186 -3.759 1.00 0.00 N ATOM 11 CA SER A 2 -22.229 -3.007 -3.318 1.00 0.00 C ATOM 12 C SER A 2 -21.055 -3.388 -2.420 1.00 0.00 C ATOM 13 O SER A 2 -19.900 -3.155 -2.769 1.00 0.00 O ATOM 14 CB SER A 2 -23.176 -2.049 -2.589 1.00 0.00 C ATOM 15 OG SER A 2 -23.960 -2.737 -1.626 1.00 0.00 O ATOM 0 H SER A 2 -23.136 -4.869 -3.024 1.00 0.00 H new ATOM 0 HA SER A 2 -21.827 -2.503 -4.197 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.598 -1.265 -2.099 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.829 -1.559 -3.311 1.00 0.00 H new ATOM 0 HG SER A 2 -24.554 -2.102 -1.174 1.00 0.00 H new ATOM 21 N MET A 3 -21.362 -4.010 -1.287 1.00 0.00 N ATOM 22 CA MET A 3 -20.362 -4.302 -0.260 1.00 0.00 C ATOM 23 C MET A 3 -19.158 -5.065 -0.805 1.00 0.00 C ATOM 24 O MET A 3 -18.021 -4.678 -0.554 1.00 0.00 O ATOM 25 CB MET A 3 -20.993 -5.084 0.892 1.00 0.00 C ATOM 26 CG MET A 3 -21.865 -4.227 1.795 1.00 0.00 C ATOM 27 SD MET A 3 -20.923 -2.924 2.616 1.00 0.00 S ATOM 28 CE MET A 3 -22.223 -2.085 3.515 1.00 0.00 C ATOM 0 H MET A 3 -22.303 -4.325 -1.053 1.00 0.00 H new ATOM 0 HA MET A 3 -19.998 -3.340 0.102 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.594 -5.897 0.484 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.203 -5.540 1.488 1.00 0.00 H new ATOM 0 HG2 MET A 3 -22.665 -3.778 1.206 1.00 0.00 H new ATOM 0 HG3 MET A 3 -22.339 -4.859 2.546 1.00 0.00 H new ATOM 0 HE1 MET A 3 -21.799 -1.251 4.075 1.00 0.00 H new ATOM 0 HE2 MET A 3 -22.967 -1.709 2.813 1.00 0.00 H new ATOM 0 HE3 MET A 3 -22.696 -2.783 4.206 1.00 0.00 H new ATOM 38 N LYS A 4 -19.403 -6.125 -1.563 1.00 0.00 N ATOM 39 CA LYS A 4 -18.324 -6.980 -2.053 1.00 0.00 C ATOM 40 C LYS A 4 -17.565 -6.319 -3.201 1.00 0.00 C ATOM 41 O LYS A 4 -16.416 -6.656 -3.468 1.00 0.00 O ATOM 42 CB LYS A 4 -18.878 -8.331 -2.510 1.00 0.00 C ATOM 43 CG LYS A 4 -19.612 -9.089 -1.418 1.00 0.00 C ATOM 44 CD LYS A 4 -20.138 -10.419 -1.925 1.00 0.00 C ATOM 45 CE LYS A 4 -20.822 -11.207 -0.821 1.00 0.00 C ATOM 46 NZ LYS A 4 -19.884 -11.552 0.280 1.00 0.00 N ATOM 0 H LYS A 4 -20.337 -6.415 -1.853 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.628 -7.136 -1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -19.556 -8.171 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.056 -8.946 -2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.941 -9.259 -0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.441 -8.485 -1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.842 -10.246 -2.739 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.315 -11.004 -2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -21.652 -10.625 -0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -21.245 -12.121 -1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.307 -12.290 0.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.991 -11.902 -0.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.697 -10.706 0.855 1.00 0.00 H new ATOM 60 N GLN A 5 -18.200 -5.360 -3.849 1.00 0.00 N ATOM 61 CA GLN A 5 -17.617 -4.689 -5.000 1.00 0.00 C ATOM 62 C GLN A 5 -16.810 -3.492 -4.534 1.00 0.00 C ATOM 63 O GLN A 5 -15.751 -3.188 -5.078 1.00 0.00 O ATOM 64 CB GLN A 5 -18.709 -4.260 -5.979 1.00 0.00 C ATOM 65 CG GLN A 5 -19.496 -5.430 -6.548 1.00 0.00 C ATOM 66 CD GLN A 5 -20.549 -5.004 -7.552 1.00 0.00 C ATOM 67 OE1 GLN A 5 -21.588 -5.647 -7.688 1.00 0.00 O ATOM 68 NE2 GLN A 5 -20.284 -3.928 -8.272 1.00 0.00 N ATOM 0 H GLN A 5 -19.129 -5.024 -3.596 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.954 -5.380 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.395 -3.581 -5.473 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -18.255 -3.703 -6.799 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -18.807 -6.126 -7.026 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -19.977 -5.968 -5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -19.410 -3.421 -8.129 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -20.953 -3.604 -8.970 1.00 0.00 H new ATOM 77 N LEU A 6 -17.315 -2.825 -3.510 1.00 0.00 N ATOM 78 CA LEU A 6 -16.556 -1.796 -2.826 1.00 0.00 C ATOM 79 C LEU A 6 -15.386 -2.452 -2.112 1.00 0.00 C ATOM 80 O LEU A 6 -14.263 -1.956 -2.152 1.00 0.00 O ATOM 81 CB LEU A 6 -17.437 -1.034 -1.826 1.00 0.00 C ATOM 82 CG LEU A 6 -18.263 0.144 -2.382 1.00 0.00 C ATOM 83 CD1 LEU A 6 -17.366 1.323 -2.733 1.00 0.00 C ATOM 84 CD2 LEU A 6 -19.078 -0.273 -3.598 1.00 0.00 C ATOM 0 H LEU A 6 -18.251 -2.980 -3.134 1.00 0.00 H new ATOM 0 HA LEU A 6 -16.189 -1.073 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -18.125 -1.745 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.796 -0.654 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.954 0.453 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -17.974 2.139 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -16.839 1.658 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -16.642 1.017 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -19.648 0.581 -3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -18.408 -0.625 -4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.763 -1.074 -3.320 1.00 0.00 H new ATOM 96 N GLU A 7 -15.661 -3.596 -1.481 1.00 0.00 N ATOM 97 CA GLU A 7 -14.622 -4.400 -0.847 1.00 0.00 C ATOM 98 C GLU A 7 -13.606 -4.866 -1.885 1.00 0.00 C ATOM 99 O GLU A 7 -12.416 -4.985 -1.583 1.00 0.00 O ATOM 100 CB GLU A 7 -15.235 -5.610 -0.137 1.00 0.00 C ATOM 101 CG GLU A 7 -14.246 -6.405 0.699 1.00 0.00 C ATOM 102 CD GLU A 7 -14.873 -7.628 1.340 1.00 0.00 C ATOM 103 OE1 GLU A 7 -14.812 -8.714 0.728 1.00 0.00 O ATOM 104 OE2 GLU A 7 -15.426 -7.499 2.452 1.00 0.00 O ATOM 0 H GLU A 7 -16.600 -3.985 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.115 -3.781 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.046 -5.268 0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.677 -6.270 -0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.412 -6.717 0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.835 -5.762 1.477 1.00 0.00 H new ATOM 111 N ASP A 8 -14.075 -5.133 -3.109 1.00 0.00 N ATOM 112 CA ASP A 8 -13.166 -5.475 -4.208 1.00 0.00 C ATOM 113 C ASP A 8 -12.114 -4.391 -4.397 1.00 0.00 C ATOM 114 O ASP A 8 -10.952 -4.687 -4.668 1.00 0.00 O ATOM 115 CB ASP A 8 -13.911 -5.685 -5.529 1.00 0.00 C ATOM 116 CG ASP A 8 -14.482 -7.081 -5.672 1.00 0.00 C ATOM 117 OD1 ASP A 8 -13.742 -8.053 -5.413 1.00 0.00 O ATOM 118 OD2 ASP A 8 -15.660 -7.203 -6.063 1.00 0.00 O ATOM 0 H ASP A 8 -15.063 -5.119 -3.361 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.684 -6.413 -3.932 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.720 -4.958 -5.603 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.231 -5.490 -6.358 1.00 0.00 H new ATOM 123 N LYS A 9 -12.528 -3.138 -4.250 1.00 0.00 N ATOM 124 CA LYS A 9 -11.617 -2.008 -4.378 1.00 0.00 C ATOM 125 C LYS A 9 -10.679 -1.942 -3.178 1.00 0.00 C ATOM 126 O LYS A 9 -9.465 -1.778 -3.332 1.00 0.00 O ATOM 127 CB LYS A 9 -12.400 -0.696 -4.488 1.00 0.00 C ATOM 128 CG LYS A 9 -13.421 -0.677 -5.612 1.00 0.00 C ATOM 129 CD LYS A 9 -14.171 0.646 -5.654 1.00 0.00 C ATOM 130 CE LYS A 9 -15.232 0.652 -6.741 1.00 0.00 C ATOM 131 NZ LYS A 9 -15.933 1.960 -6.825 1.00 0.00 N ATOM 0 H LYS A 9 -13.492 -2.879 -4.041 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.029 -2.148 -5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.911 -0.510 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.697 0.123 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.919 -0.844 -6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.129 -1.495 -5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.639 0.831 -4.687 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.466 1.459 -5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.769 0.426 -7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.958 -0.137 -6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.649 1.922 -7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.397 2.164 -5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.245 2.710 -7.039 1.00 0.00 H new ATOM 145 N VAL A 10 -11.254 -2.084 -1.986 1.00 0.00 N ATOM 146 CA VAL A 10 -10.489 -2.017 -0.746 1.00 0.00 C ATOM 147 C VAL A 10 -9.384 -3.071 -0.738 1.00 0.00 C ATOM 148 O VAL A 10 -8.205 -2.754 -0.584 1.00 0.00 O ATOM 149 CB VAL A 10 -11.380 -2.243 0.499 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.639 -1.850 1.763 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.689 -1.481 0.412 1.00 0.00 C ATOM 0 H VAL A 10 -12.252 -2.247 -1.854 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.061 -1.015 -0.700 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.616 -3.307 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.281 -2.016 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.737 -2.455 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.365 -0.796 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.281 -1.671 1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.484 -0.413 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.244 -1.811 -0.466 1.00 0.00 H new ATOM 161 N GLU A 11 -9.772 -4.325 -0.940 1.00 0.00 N ATOM 162 CA GLU A 11 -8.837 -5.439 -0.863 1.00 0.00 C ATOM 163 C GLU A 11 -7.841 -5.409 -2.026 1.00 0.00 C ATOM 164 O GLU A 11 -6.756 -5.981 -1.936 1.00 0.00 O ATOM 165 CB GLU A 11 -9.593 -6.772 -0.850 1.00 0.00 C ATOM 166 CG GLU A 11 -8.698 -7.977 -0.603 1.00 0.00 C ATOM 167 CD GLU A 11 -9.442 -9.297 -0.683 1.00 0.00 C ATOM 168 OE1 GLU A 11 -10.148 -9.641 0.289 1.00 0.00 O ATOM 169 OE2 GLU A 11 -9.308 -9.990 -1.713 1.00 0.00 O ATOM 0 H GLU A 11 -10.731 -4.595 -1.159 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.276 -5.340 0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.362 -6.737 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.105 -6.899 -1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.889 -7.978 -1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.238 -7.885 0.381 1.00 0.00 H new ATOM 176 N GLU A 12 -8.203 -4.738 -3.111 1.00 0.00 N ATOM 177 CA GLU A 12 -7.298 -4.587 -4.242 1.00 0.00 C ATOM 178 C GLU A 12 -6.113 -3.733 -3.823 1.00 0.00 C ATOM 179 O GLU A 12 -4.957 -4.071 -4.080 1.00 0.00 O ATOM 180 CB GLU A 12 -8.007 -3.944 -5.435 1.00 0.00 C ATOM 181 CG GLU A 12 -7.141 -3.864 -6.682 1.00 0.00 C ATOM 182 CD GLU A 12 -7.827 -3.152 -7.829 1.00 0.00 C ATOM 183 OE1 GLU A 12 -7.499 -1.973 -8.074 1.00 0.00 O ATOM 184 OE2 GLU A 12 -8.690 -3.773 -8.482 1.00 0.00 O ATOM 0 H GLU A 12 -9.112 -4.292 -3.232 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.955 -5.575 -4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.907 -4.514 -5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.327 -2.939 -5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.213 -3.345 -6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.870 -4.872 -6.996 1.00 0.00 H new ATOM 191 N LEU A 13 -6.416 -2.629 -3.154 1.00 0.00 N ATOM 192 CA LEU A 13 -5.386 -1.772 -2.601 1.00 0.00 C ATOM 193 C LEU A 13 -4.662 -2.498 -1.477 1.00 0.00 C ATOM 194 O LEU A 13 -3.463 -2.323 -1.284 1.00 0.00 O ATOM 195 CB LEU A 13 -5.995 -0.470 -2.083 1.00 0.00 C ATOM 196 CG LEU A 13 -6.690 0.389 -3.140 1.00 0.00 C ATOM 197 CD1 LEU A 13 -7.165 1.690 -2.530 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.760 0.664 -4.307 1.00 0.00 C ATOM 0 H LEU A 13 -7.369 -2.309 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.671 -1.528 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.716 -0.710 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.206 0.122 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.554 -0.161 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.658 2.291 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.868 1.479 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.311 2.238 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.276 1.277 -5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.876 1.192 -3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.460 -0.279 -4.763 1.00 0.00 H new ATOM 210 N LEU A 14 -5.411 -3.320 -0.752 1.00 0.00 N ATOM 211 CA LEU A 14 -4.865 -4.158 0.313 1.00 0.00 C ATOM 212 C LEU A 14 -3.810 -5.111 -0.242 1.00 0.00 C ATOM 213 O LEU A 14 -2.844 -5.459 0.436 1.00 0.00 O ATOM 214 CB LEU A 14 -5.992 -4.976 0.943 1.00 0.00 C ATOM 215 CG LEU A 14 -5.663 -5.644 2.280 1.00 0.00 C ATOM 216 CD1 LEU A 14 -5.556 -4.608 3.384 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.719 -6.683 2.623 1.00 0.00 C ATOM 0 H LEU A 14 -6.417 -3.426 -0.885 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.403 -3.514 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.853 -4.323 1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.293 -5.749 0.236 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.699 -6.145 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.322 -5.103 4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.766 -3.898 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.504 -4.078 3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.473 -7.151 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.694 -6.201 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.748 -7.443 1.843 1.00 0.00 H new ATOM 229 N SER A 15 -4.011 -5.515 -1.486 1.00 0.00 N ATOM 230 CA SER A 15 -3.153 -6.489 -2.137 1.00 0.00 C ATOM 231 C SER A 15 -1.788 -5.892 -2.445 1.00 0.00 C ATOM 232 O SER A 15 -0.758 -6.511 -2.169 1.00 0.00 O ATOM 233 CB SER A 15 -3.815 -7.006 -3.417 1.00 0.00 C ATOM 234 OG SER A 15 -5.067 -7.612 -3.134 1.00 0.00 O ATOM 0 H SER A 15 -4.774 -5.176 -2.072 1.00 0.00 H new ATOM 0 HA SER A 15 -3.007 -7.327 -1.455 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.956 -6.182 -4.116 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.159 -7.728 -3.904 1.00 0.00 H new ATOM 0 HG SER A 15 -5.517 -7.114 -2.420 1.00 0.00 H new ATOM 240 N LYS A 16 -1.762 -4.686 -3.003 1.00 0.00 N ATOM 241 CA LYS A 16 -0.487 -4.046 -3.270 1.00 0.00 C ATOM 242 C LYS A 16 0.089 -3.466 -1.989 1.00 0.00 C ATOM 243 O LYS A 16 1.296 -3.431 -1.829 1.00 0.00 O ATOM 244 CB LYS A 16 -0.567 -2.991 -4.380 1.00 0.00 C ATOM 245 CG LYS A 16 -1.499 -1.823 -4.110 1.00 0.00 C ATOM 246 CD LYS A 16 -1.466 -0.843 -5.272 1.00 0.00 C ATOM 247 CE LYS A 16 -2.343 0.371 -5.025 1.00 0.00 C ATOM 248 NZ LYS A 16 -2.373 1.281 -6.201 1.00 0.00 N ATOM 0 H LYS A 16 -2.586 -4.148 -3.271 1.00 0.00 H new ATOM 0 HA LYS A 16 0.189 -4.816 -3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.435 -2.600 -4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.885 -3.481 -5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.516 -2.187 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.203 -1.318 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.439 -0.519 -5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.795 -1.348 -6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.357 0.045 -4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.975 0.914 -4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.982 2.098 -5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.409 1.612 -6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.748 0.770 -7.026 1.00 0.00 H new ATOM 262 N ASN A 17 -0.779 -3.047 -1.068 1.00 0.00 N ATOM 263 CA ASN A 17 -0.348 -2.670 0.282 1.00 0.00 C ATOM 264 C ASN A 17 0.456 -3.799 0.890 1.00 0.00 C ATOM 265 O ASN A 17 1.520 -3.584 1.472 1.00 0.00 O ATOM 266 CB ASN A 17 -1.554 -2.385 1.177 1.00 0.00 C ATOM 267 CG ASN A 17 -1.802 -0.910 1.380 1.00 0.00 C ATOM 268 OD1 ASN A 17 -0.873 -0.113 1.455 1.00 0.00 O ATOM 269 ND2 ASN A 17 -3.064 -0.536 1.472 1.00 0.00 N ATOM 0 H ASN A 17 -1.782 -2.960 -1.229 1.00 0.00 H new ATOM 0 HA ASN A 17 0.261 -1.769 0.209 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.442 -2.840 0.737 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.400 -2.859 2.146 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.296 0.448 1.611 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.808 -1.231 1.404 1.00 0.00 H new ATOM 276 N TYR A 18 -0.061 -5.013 0.728 1.00 0.00 N ATOM 277 CA TYR A 18 0.620 -6.207 1.210 1.00 0.00 C ATOM 278 C TYR A 18 2.008 -6.332 0.582 1.00 0.00 C ATOM 279 O TYR A 18 2.973 -6.704 1.248 1.00 0.00 O ATOM 280 CB TYR A 18 -0.220 -7.449 0.891 1.00 0.00 C ATOM 281 CG TYR A 18 0.439 -8.756 1.266 1.00 0.00 C ATOM 282 CD1 TYR A 18 0.546 -9.144 2.594 1.00 0.00 C ATOM 283 CD2 TYR A 18 0.947 -9.603 0.291 1.00 0.00 C ATOM 284 CE1 TYR A 18 1.142 -10.339 2.940 1.00 0.00 C ATOM 285 CE2 TYR A 18 1.545 -10.801 0.630 1.00 0.00 C ATOM 286 CZ TYR A 18 1.640 -11.163 1.956 1.00 0.00 C ATOM 287 OH TYR A 18 2.231 -12.355 2.301 1.00 0.00 O ATOM 0 H TYR A 18 -0.952 -5.195 0.265 1.00 0.00 H new ATOM 0 HA TYR A 18 0.742 -6.125 2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.174 -7.373 1.414 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.441 -7.460 -0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.157 -8.500 3.369 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.874 -9.321 -0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.218 -10.627 3.978 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.936 -11.450 -0.140 1.00 0.00 H new ATOM 0 HH TYR A 18 2.529 -12.819 1.491 1.00 0.00 H new ATOM 297 N HIS A 19 2.103 -5.992 -0.695 1.00 0.00 N ATOM 298 CA HIS A 19 3.351 -6.133 -1.435 1.00 0.00 C ATOM 299 C HIS A 19 4.313 -4.986 -1.146 1.00 0.00 C ATOM 300 O HIS A 19 5.498 -5.219 -0.918 1.00 0.00 O ATOM 301 CB HIS A 19 3.075 -6.236 -2.936 1.00 0.00 C ATOM 302 CG HIS A 19 2.563 -7.581 -3.354 1.00 0.00 C ATOM 303 ND1 HIS A 19 1.223 -7.893 -3.432 1.00 0.00 N ATOM 304 CD2 HIS A 19 3.227 -8.704 -3.714 1.00 0.00 C ATOM 305 CE1 HIS A 19 1.086 -9.146 -3.819 1.00 0.00 C ATOM 306 NE2 HIS A 19 2.287 -9.661 -3.998 1.00 0.00 N ATOM 0 H HIS A 19 1.329 -5.615 -1.243 1.00 0.00 H new ATOM 0 HA HIS A 19 3.829 -7.054 -1.100 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.348 -5.475 -3.218 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.992 -6.018 -3.483 1.00 0.00 H new ATOM 0 HD1 HIS A 19 0.456 -7.254 -3.223 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.299 -8.824 -3.768 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.149 -9.663 -3.965 1.00 0.00 H new ATOM 315 N LEU A 20 3.803 -3.756 -1.149 1.00 0.00 N ATOM 316 CA LEU A 20 4.618 -2.576 -0.862 1.00 0.00 C ATOM 317 C LEU A 20 5.234 -2.699 0.512 1.00 0.00 C ATOM 318 O LEU A 20 6.441 -2.578 0.678 1.00 0.00 O ATOM 319 CB LEU A 20 3.779 -1.293 -0.889 1.00 0.00 C ATOM 320 CG LEU A 20 2.912 -1.076 -2.116 1.00 0.00 C ATOM 321 CD1 LEU A 20 2.361 0.338 -2.147 1.00 0.00 C ATOM 322 CD2 LEU A 20 3.667 -1.392 -3.399 1.00 0.00 C ATOM 0 H LEU A 20 2.824 -3.550 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 20 5.388 -2.519 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.134 -1.289 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.454 -0.442 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 20 2.073 -1.768 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.743 0.468 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.757 0.513 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.186 1.050 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.014 -1.225 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.540 -0.744 -3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.988 -2.434 -3.385 1.00 0.00 H new ATOM 334 N GLU A 21 4.379 -2.951 1.491 1.00 0.00 N ATOM 335 CA GLU A 21 4.796 -3.009 2.889 1.00 0.00 C ATOM 336 C GLU A 21 5.908 -4.038 3.089 1.00 0.00 C ATOM 337 O GLU A 21 6.868 -3.788 3.822 1.00 0.00 O ATOM 338 CB GLU A 21 3.603 -3.337 3.787 1.00 0.00 C ATOM 339 CG GLU A 21 3.658 -2.647 5.139 1.00 0.00 C ATOM 340 CD GLU A 21 2.451 -2.958 6.000 1.00 0.00 C ATOM 341 OE1 GLU A 21 2.534 -3.895 6.819 1.00 0.00 O ATOM 342 OE2 GLU A 21 1.424 -2.263 5.856 1.00 0.00 O ATOM 0 H GLU A 21 3.384 -3.120 1.344 1.00 0.00 H new ATOM 0 HA GLU A 21 5.187 -2.030 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.684 -3.048 3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.558 -4.415 3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.563 -2.954 5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.726 -1.569 4.991 1.00 0.00 H new ATOM 349 N ASN A 22 5.784 -5.186 2.428 1.00 0.00 N ATOM 350 CA ASN A 22 6.810 -6.222 2.503 1.00 0.00 C ATOM 351 C ASN A 22 8.035 -5.832 1.683 1.00 0.00 C ATOM 352 O ASN A 22 9.169 -6.139 2.059 1.00 0.00 O ATOM 353 CB ASN A 22 6.272 -7.570 2.020 1.00 0.00 C ATOM 354 CG ASN A 22 5.359 -8.234 3.034 1.00 0.00 C ATOM 355 OD1 ASN A 22 5.505 -8.044 4.243 1.00 0.00 O ATOM 356 ND2 ASN A 22 4.418 -9.027 2.552 1.00 0.00 N ATOM 0 H ASN A 22 4.987 -5.422 1.837 1.00 0.00 H new ATOM 0 HA ASN A 22 7.100 -6.319 3.549 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.728 -7.426 1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.109 -8.233 1.802 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.781 -9.507 3.188 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.329 -9.159 1.544 1.00 0.00 H new ATOM 363 N GLU A 23 7.803 -5.154 0.564 1.00 0.00 N ATOM 364 CA GLU A 23 8.890 -4.680 -0.283 1.00 0.00 C ATOM 365 C GLU A 23 9.742 -3.669 0.481 1.00 0.00 C ATOM 366 O GLU A 23 10.970 -3.724 0.437 1.00 0.00 O ATOM 367 CB GLU A 23 8.333 -4.048 -1.563 1.00 0.00 C ATOM 368 CG GLU A 23 9.391 -3.695 -2.599 1.00 0.00 C ATOM 369 CD GLU A 23 10.020 -4.915 -3.245 1.00 0.00 C ATOM 370 OE1 GLU A 23 11.033 -5.414 -2.711 1.00 0.00 O ATOM 371 OE2 GLU A 23 9.503 -5.368 -4.287 1.00 0.00 O ATOM 0 H GLU A 23 6.871 -4.920 0.223 1.00 0.00 H new ATOM 0 HA GLU A 23 9.515 -5.529 -0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.617 -4.736 -2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.784 -3.144 -1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.941 -3.073 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.171 -3.099 -2.125 1.00 0.00 H new ATOM 378 N VAL A 24 9.074 -2.764 1.194 1.00 0.00 N ATOM 379 CA VAL A 24 9.753 -1.766 2.014 1.00 0.00 C ATOM 380 C VAL A 24 10.638 -2.439 3.060 1.00 0.00 C ATOM 381 O VAL A 24 11.798 -2.071 3.241 1.00 0.00 O ATOM 382 CB VAL A 24 8.749 -0.847 2.754 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.482 0.159 3.622 1.00 0.00 C ATOM 384 CG2 VAL A 24 7.837 -0.124 1.781 1.00 0.00 C ATOM 0 H VAL A 24 8.056 -2.703 1.219 1.00 0.00 H new ATOM 0 HA VAL A 24 10.357 -1.165 1.334 1.00 0.00 H new ATOM 0 HB VAL A 24 8.133 -1.482 3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.758 0.794 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.086 -0.369 4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.129 0.775 2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.146 0.512 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.436 0.490 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.273 -0.854 1.200 1.00 0.00 H new ATOM 394 N ALA A 25 10.076 -3.439 3.732 1.00 0.00 N ATOM 395 CA ALA A 25 10.754 -4.118 4.831 1.00 0.00 C ATOM 396 C ALA A 25 12.093 -4.707 4.394 1.00 0.00 C ATOM 397 O ALA A 25 13.126 -4.447 5.016 1.00 0.00 O ATOM 398 CB ALA A 25 9.858 -5.208 5.403 1.00 0.00 C ATOM 0 H ALA A 25 9.143 -3.800 3.532 1.00 0.00 H new ATOM 0 HA ALA A 25 10.959 -3.377 5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.373 -5.709 6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.934 -4.763 5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.625 -5.933 4.624 1.00 0.00 H new ATOM 404 N ARG A 26 12.077 -5.490 3.322 1.00 0.00 N ATOM 405 CA ARG A 26 13.294 -6.126 2.832 1.00 0.00 C ATOM 406 C ARG A 26 14.279 -5.085 2.302 1.00 0.00 C ATOM 407 O ARG A 26 15.488 -5.224 2.466 1.00 0.00 O ATOM 408 CB ARG A 26 12.969 -7.168 1.758 1.00 0.00 C ATOM 409 CG ARG A 26 12.191 -6.625 0.572 1.00 0.00 C ATOM 410 CD ARG A 26 11.690 -7.748 -0.318 1.00 0.00 C ATOM 411 NE ARG A 26 10.752 -8.623 0.386 1.00 0.00 N ATOM 412 CZ ARG A 26 10.175 -9.693 -0.160 1.00 0.00 C ATOM 413 NH1 ARG A 26 10.443 -10.027 -1.417 1.00 0.00 N ATOM 414 NH2 ARG A 26 9.331 -10.431 0.552 1.00 0.00 N ATOM 0 H ARG A 26 11.240 -5.699 2.778 1.00 0.00 H new ATOM 0 HA ARG A 26 13.767 -6.640 3.669 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.901 -7.603 1.397 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.396 -7.975 2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.346 -6.035 0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.827 -5.955 -0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.203 -7.325 -1.197 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.537 -8.335 -0.674 1.00 0.00 H new ATOM 0 HE ARG A 26 10.526 -8.400 1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.092 -9.464 -1.967 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.000 -10.846 -1.832 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.123 -10.179 1.518 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.890 -11.250 0.132 1.00 0.00 H new ATOM 428 N LEU A 27 13.754 -4.032 1.692 1.00 0.00 N ATOM 429 CA LEU A 27 14.581 -2.922 1.231 1.00 0.00 C ATOM 430 C LEU A 27 15.286 -2.255 2.409 1.00 0.00 C ATOM 431 O LEU A 27 16.483 -1.976 2.353 1.00 0.00 O ATOM 432 CB LEU A 27 13.723 -1.897 0.490 1.00 0.00 C ATOM 433 CG LEU A 27 13.676 -2.018 -1.040 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.672 -3.467 -1.497 1.00 0.00 C ATOM 435 CD2 LEU A 27 12.443 -1.308 -1.563 1.00 0.00 C ATOM 0 H LEU A 27 12.758 -3.921 1.504 1.00 0.00 H new ATOM 0 HA LEU A 27 15.335 -3.314 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.703 -1.968 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.088 -0.901 0.742 1.00 0.00 H new ATOM 0 HG LEU A 27 14.576 -1.552 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.638 -3.505 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.577 -3.962 -1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.798 -3.975 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.408 -1.393 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.551 -1.765 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.483 -0.256 -1.282 1.00 0.00 H new ATOM 447 N LYS A 28 14.542 -2.027 3.487 1.00 0.00 N ATOM 448 CA LYS A 28 15.096 -1.412 4.688 1.00 0.00 C ATOM 449 C LYS A 28 16.067 -2.347 5.397 1.00 0.00 C ATOM 450 O LYS A 28 16.785 -1.928 6.302 1.00 0.00 O ATOM 451 CB LYS A 28 13.982 -0.994 5.652 1.00 0.00 C ATOM 452 CG LYS A 28 13.252 0.267 5.220 1.00 0.00 C ATOM 453 CD LYS A 28 13.794 1.540 5.879 1.00 0.00 C ATOM 454 CE LYS A 28 15.287 1.764 5.642 1.00 0.00 C ATOM 455 NZ LYS A 28 16.140 1.086 6.663 1.00 0.00 N ATOM 0 H LYS A 28 13.551 -2.260 3.553 1.00 0.00 H new ATOM 0 HA LYS A 28 15.643 -0.524 4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.263 -1.809 5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.409 -0.837 6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.326 0.368 4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.193 0.165 5.459 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.241 2.399 5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.608 1.491 6.952 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.553 1.397 4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.496 2.834 5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.047 1.588 6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.654 1.094 7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.314 0.103 6.372 1.00 0.00 H new ATOM 469 N LYS A 29 16.072 -3.612 4.999 1.00 0.00 N ATOM 470 CA LYS A 29 17.033 -4.574 5.521 1.00 0.00 C ATOM 471 C LYS A 29 18.388 -4.354 4.856 1.00 0.00 C ATOM 472 O LYS A 29 19.438 -4.440 5.500 1.00 0.00 O ATOM 473 CB LYS A 29 16.538 -6.005 5.274 1.00 0.00 C ATOM 474 CG LYS A 29 17.505 -7.106 5.704 1.00 0.00 C ATOM 475 CD LYS A 29 17.359 -7.481 7.177 1.00 0.00 C ATOM 476 CE LYS A 29 17.988 -6.459 8.113 1.00 0.00 C ATOM 477 NZ LYS A 29 17.882 -6.880 9.535 1.00 0.00 N ATOM 0 H LYS A 29 15.420 -3.996 4.315 1.00 0.00 H new ATOM 0 HA LYS A 29 17.139 -4.430 6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.595 -6.144 5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.327 -6.122 4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.337 -7.991 5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.528 -6.778 5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.301 -7.584 7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.820 -8.454 7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.037 -6.322 7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.498 -5.494 7.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.321 -6.160 10.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.880 -6.986 9.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 18.371 -7.788 9.665 1.00 0.00 H new ATOM 491 N LEU A 30 18.348 -4.052 3.566 1.00 0.00 N ATOM 492 CA LEU A 30 19.549 -3.749 2.802 1.00 0.00 C ATOM 493 C LEU A 30 20.012 -2.332 3.104 1.00 0.00 C ATOM 494 O LEU A 30 21.206 -2.059 3.167 1.00 0.00 O ATOM 495 CB LEU A 30 19.304 -3.933 1.300 1.00 0.00 C ATOM 496 CG LEU A 30 19.342 -5.384 0.795 1.00 0.00 C ATOM 497 CD1 LEU A 30 18.237 -6.224 1.417 1.00 0.00 C ATOM 498 CD2 LEU A 30 19.239 -5.421 -0.720 1.00 0.00 C ATOM 0 H LEU A 30 17.486 -4.010 3.022 1.00 0.00 H new ATOM 0 HA LEU A 30 20.334 -4.445 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.332 -3.507 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 30 20.052 -3.357 0.755 1.00 0.00 H new ATOM 0 HG LEU A 30 20.297 -5.813 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.296 -7.243 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.354 -6.235 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.267 -5.797 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.267 -6.456 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.301 -4.961 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.074 -4.872 -1.155 1.00 0.00 H new ATOM 510 N VAL A 31 19.053 -1.436 3.315 1.00 0.00 N ATOM 511 CA VAL A 31 19.351 -0.090 3.796 1.00 0.00 C ATOM 512 C VAL A 31 19.336 -0.114 5.325 1.00 0.00 C ATOM 513 O VAL A 31 18.936 0.843 5.996 1.00 0.00 O ATOM 514 CB VAL A 31 18.335 0.957 3.276 1.00 0.00 C ATOM 515 CG1 VAL A 31 18.835 2.374 3.527 1.00 0.00 C ATOM 516 CG2 VAL A 31 18.055 0.754 1.797 1.00 0.00 C ATOM 0 H VAL A 31 18.061 -1.617 3.160 1.00 0.00 H new ATOM 0 HA VAL A 31 20.330 0.205 3.419 1.00 0.00 H new ATOM 0 HB VAL A 31 17.405 0.817 3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.103 3.090 3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.976 2.526 4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.784 2.522 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.339 1.502 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 31 18.982 0.857 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.643 -0.242 1.638 1.00 0.00 H new ATOM 526 N GLY A 32 19.736 -1.253 5.859 1.00 0.00 N ATOM 527 CA GLY A 32 19.779 -1.443 7.287 1.00 0.00 C ATOM 528 C GLY A 32 21.109 -2.002 7.730 1.00 0.00 C ATOM 529 O GLY A 32 21.817 -1.386 8.527 1.00 0.00 O ATOM 0 H GLY A 32 20.037 -2.063 5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 32 19.598 -0.492 7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.980 -2.120 7.589 1.00 0.00 H new ATOM 533 N GLU A 33 21.449 -3.170 7.208 1.00 0.00 N ATOM 534 CA GLU A 33 22.731 -3.795 7.482 1.00 0.00 C ATOM 535 C GLU A 33 23.398 -4.190 6.172 1.00 0.00 C ATOM 536 O GLU A 33 23.179 -5.327 5.710 1.00 0.00 O ATOM 537 CB GLU A 33 22.554 -5.023 8.381 1.00 0.00 C ATOM 538 CG GLU A 33 22.112 -4.691 9.798 1.00 0.00 C ATOM 539 CD GLU A 33 23.176 -3.951 10.589 1.00 0.00 C ATOM 540 OE1 GLU A 33 24.048 -4.622 11.181 1.00 0.00 O ATOM 541 OE2 GLU A 33 23.138 -2.705 10.617 1.00 0.00 O ATOM 542 OXT GLU A 33 24.114 -3.352 5.593 1.00 0.00 O ATOM 0 H GLU A 33 20.846 -3.708 6.585 1.00 0.00 H new ATOM 0 HA GLU A 33 23.366 -3.080 8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 33 21.820 -5.689 7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 33 23.496 -5.569 8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 33 21.207 -4.084 9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 33 21.855 -5.613 10.319 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -24.404 5.906 5.811 1.00 0.00 N ATOM 551 CA GLY B 1 -24.229 5.724 4.350 1.00 0.00 C ATOM 552 C GLY B 1 -23.479 4.450 4.029 1.00 0.00 C ATOM 553 O GLY B 1 -23.289 3.601 4.904 1.00 0.00 O ATOM 0 H1 GLY B 1 -24.670 6.892 6.009 1.00 0.00 H new ATOM 0 H2 GLY B 1 -25.153 5.270 6.153 1.00 0.00 H new ATOM 0 H3 GLY B 1 -23.512 5.684 6.298 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -25.206 5.702 3.867 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -23.689 6.577 3.939 1.00 0.00 H new ATOM 559 N SER B 2 -23.048 4.312 2.785 1.00 0.00 N ATOM 560 CA SER B 2 -22.318 3.129 2.364 1.00 0.00 C ATOM 561 C SER B 2 -21.105 3.502 1.519 1.00 0.00 C ATOM 562 O SER B 2 -19.968 3.250 1.912 1.00 0.00 O ATOM 563 CB SER B 2 -23.243 2.184 1.591 1.00 0.00 C ATOM 564 OG SER B 2 -23.989 2.885 0.606 1.00 0.00 O ATOM 0 H SER B 2 -23.192 5.005 2.050 1.00 0.00 H new ATOM 0 HA SER B 2 -21.957 2.616 3.256 1.00 0.00 H new ATOM 0 HB2 SER B 2 -22.652 1.402 1.115 1.00 0.00 H new ATOM 0 HB3 SER B 2 -23.925 1.691 2.284 1.00 0.00 H new ATOM 0 HG SER B 2 -24.569 2.257 0.127 1.00 0.00 H new ATOM 570 N MET B 3 -21.354 4.140 0.379 1.00 0.00 N ATOM 571 CA MET B 3 -20.311 4.428 -0.603 1.00 0.00 C ATOM 572 C MET B 3 -19.126 5.178 0.001 1.00 0.00 C ATOM 573 O MET B 3 -17.983 4.779 -0.190 1.00 0.00 O ATOM 574 CB MET B 3 -20.887 5.221 -1.778 1.00 0.00 C ATOM 575 CG MET B 3 -21.733 4.377 -2.717 1.00 0.00 C ATOM 576 SD MET B 3 -20.779 3.065 -3.506 1.00 0.00 S ATOM 577 CE MET B 3 -22.052 2.246 -4.459 1.00 0.00 C ATOM 0 H MET B 3 -22.280 4.471 0.110 1.00 0.00 H new ATOM 0 HA MET B 3 -19.939 3.467 -0.958 1.00 0.00 H new ATOM 0 HB2 MET B 3 -21.493 6.040 -1.392 1.00 0.00 H new ATOM 0 HB3 MET B 3 -20.068 5.668 -2.341 1.00 0.00 H new ATOM 0 HG2 MET B 3 -22.560 3.937 -2.160 1.00 0.00 H new ATOM 0 HG3 MET B 3 -22.169 5.017 -3.484 1.00 0.00 H new ATOM 0 HE1 MET B 3 -21.616 1.409 -5.005 1.00 0.00 H new ATOM 0 HE2 MET B 3 -22.828 1.877 -3.788 1.00 0.00 H new ATOM 0 HE3 MET B 3 -22.489 2.952 -5.165 1.00 0.00 H new ATOM 587 N LYS B 4 -19.394 6.239 0.749 1.00 0.00 N ATOM 588 CA LYS B 4 -18.326 7.079 1.286 1.00 0.00 C ATOM 589 C LYS B 4 -17.620 6.405 2.457 1.00 0.00 C ATOM 590 O LYS B 4 -16.478 6.727 2.772 1.00 0.00 O ATOM 591 CB LYS B 4 -18.880 8.433 1.724 1.00 0.00 C ATOM 592 CG LYS B 4 -19.568 9.200 0.609 1.00 0.00 C ATOM 593 CD LYS B 4 -20.110 10.529 1.102 1.00 0.00 C ATOM 594 CE LYS B 4 -20.742 11.328 -0.025 1.00 0.00 C ATOM 595 NZ LYS B 4 -19.756 11.680 -1.081 1.00 0.00 N ATOM 0 H LYS B 4 -20.336 6.540 0.998 1.00 0.00 H new ATOM 0 HA LYS B 4 -17.596 7.230 0.491 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -19.588 8.280 2.538 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -18.065 9.038 2.120 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -18.863 9.372 -0.204 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -20.383 8.601 0.203 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -20.849 10.354 1.883 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -19.303 11.108 1.551 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -21.555 10.751 -0.466 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -21.181 12.240 0.379 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -20.151 12.424 -1.691 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -18.880 12.024 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -19.546 10.838 -1.654 1.00 0.00 H new ATOM 609 N GLN B 5 -18.291 5.450 3.076 1.00 0.00 N ATOM 610 CA GLN B 5 -17.761 4.764 4.244 1.00 0.00 C ATOM 611 C GLN B 5 -16.946 3.562 3.802 1.00 0.00 C ATOM 612 O GLN B 5 -15.914 3.239 4.389 1.00 0.00 O ATOM 613 CB GLN B 5 -18.895 4.336 5.176 1.00 0.00 C ATOM 614 CG GLN B 5 -19.695 5.509 5.728 1.00 0.00 C ATOM 615 CD GLN B 5 -20.792 5.084 6.688 1.00 0.00 C ATOM 616 OE1 GLN B 5 -21.833 5.736 6.789 1.00 0.00 O ATOM 617 NE2 GLN B 5 -20.565 3.996 7.407 1.00 0.00 N ATOM 0 H GLN B 5 -19.214 5.128 2.786 1.00 0.00 H new ATOM 0 HA GLN B 5 -17.114 5.446 4.795 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.567 3.668 4.637 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -18.478 3.766 6.007 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -19.018 6.194 6.239 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -20.139 6.060 4.899 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -19.690 3.484 7.294 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -21.265 3.670 8.074 1.00 0.00 H new ATOM 626 N LEU B 6 -17.415 2.906 2.755 1.00 0.00 N ATOM 627 CA LEU B 6 -16.637 1.875 2.097 1.00 0.00 C ATOM 628 C LEU B 6 -15.432 2.525 1.437 1.00 0.00 C ATOM 629 O LEU B 6 -14.316 2.022 1.525 1.00 0.00 O ATOM 630 CB LEU B 6 -17.483 1.127 1.057 1.00 0.00 C ATOM 631 CG LEU B 6 -18.339 -0.047 1.571 1.00 0.00 C ATOM 632 CD1 LEU B 6 -17.466 -1.236 1.950 1.00 0.00 C ATOM 633 CD2 LEU B 6 -19.199 0.370 2.755 1.00 0.00 C ATOM 0 H LEU B 6 -18.333 3.071 2.343 1.00 0.00 H new ATOM 0 HA LEU B 6 -16.306 1.144 2.835 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -18.147 1.847 0.578 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.814 0.747 0.285 1.00 0.00 H new ATOM 0 HG LEU B 6 -19.000 -0.346 0.758 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -18.096 -2.050 2.309 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -16.906 -1.569 1.076 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -16.771 -0.941 2.736 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -19.790 -0.481 3.093 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -18.558 0.712 3.568 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -19.866 1.178 2.454 1.00 0.00 H new ATOM 645 N GLU B 7 -15.671 3.673 0.802 1.00 0.00 N ATOM 646 CA GLU B 7 -14.601 4.474 0.218 1.00 0.00 C ATOM 647 C GLU B 7 -13.625 4.926 1.299 1.00 0.00 C ATOM 648 O GLU B 7 -12.425 5.039 1.048 1.00 0.00 O ATOM 649 CB GLU B 7 -15.175 5.694 -0.511 1.00 0.00 C ATOM 650 CG GLU B 7 -14.145 6.486 -1.301 1.00 0.00 C ATOM 651 CD GLU B 7 -14.739 7.716 -1.959 1.00 0.00 C ATOM 652 OE1 GLU B 7 -14.668 8.806 -1.354 1.00 0.00 O ATOM 653 OE2 GLU B 7 -15.278 7.589 -3.078 1.00 0.00 O ATOM 0 H GLU B 7 -16.603 4.069 0.680 1.00 0.00 H new ATOM 0 HA GLU B 7 -14.068 3.855 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -15.961 5.362 -1.189 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -15.643 6.354 0.220 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -13.336 6.788 -0.636 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -13.707 5.845 -2.066 1.00 0.00 H new ATOM 660 N ASP B 8 -14.141 5.191 2.506 1.00 0.00 N ATOM 661 CA ASP B 8 -13.274 5.519 3.641 1.00 0.00 C ATOM 662 C ASP B 8 -12.238 4.422 3.864 1.00 0.00 C ATOM 663 O ASP B 8 -11.083 4.702 4.179 1.00 0.00 O ATOM 664 CB ASP B 8 -14.071 5.729 4.932 1.00 0.00 C ATOM 665 CG ASP B 8 -14.629 7.134 5.062 1.00 0.00 C ATOM 666 OD1 ASP B 8 -13.867 8.097 4.841 1.00 0.00 O ATOM 667 OD2 ASP B 8 -15.822 7.269 5.403 1.00 0.00 O ATOM 0 H ASP B 8 -15.139 5.185 2.719 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.772 6.454 3.392 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -14.892 5.013 4.966 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.429 5.518 5.787 1.00 0.00 H new ATOM 672 N LYS B 9 -12.657 3.175 3.691 1.00 0.00 N ATOM 673 CA LYS B 9 -11.761 2.036 3.849 1.00 0.00 C ATOM 674 C LYS B 9 -10.775 1.970 2.690 1.00 0.00 C ATOM 675 O LYS B 9 -9.571 1.798 2.892 1.00 0.00 O ATOM 676 CB LYS B 9 -12.560 0.731 3.917 1.00 0.00 C ATOM 677 CG LYS B 9 -13.627 0.713 4.997 1.00 0.00 C ATOM 678 CD LYS B 9 -14.386 -0.602 4.998 1.00 0.00 C ATOM 679 CE LYS B 9 -15.489 -0.605 6.039 1.00 0.00 C ATOM 680 NZ LYS B 9 -16.202 -1.908 6.089 1.00 0.00 N ATOM 0 H LYS B 9 -13.614 2.926 3.441 1.00 0.00 H new ATOM 0 HA LYS B 9 -11.209 2.165 4.780 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -13.033 0.557 2.951 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -11.871 -0.096 4.088 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -13.164 0.869 5.971 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -14.323 1.537 4.838 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -14.815 -0.777 4.011 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -13.695 -1.422 5.195 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -15.064 -0.386 7.019 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -16.201 0.190 5.816 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -16.948 -1.868 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -16.630 -2.106 5.162 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -15.528 -2.663 6.327 1.00 0.00 H new ATOM 694 N VAL B 10 -11.300 2.120 1.476 1.00 0.00 N ATOM 695 CA VAL B 10 -10.487 2.055 0.267 1.00 0.00 C ATOM 696 C VAL B 10 -9.373 3.100 0.312 1.00 0.00 C ATOM 697 O VAL B 10 -8.191 2.774 0.205 1.00 0.00 O ATOM 698 CB VAL B 10 -11.325 2.296 -1.012 1.00 0.00 C ATOM 699 CG1 VAL B 10 -10.538 1.905 -2.248 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.644 1.546 -0.981 1.00 0.00 C ATOM 0 H VAL B 10 -12.291 2.288 1.305 1.00 0.00 H new ATOM 0 HA VAL B 10 -10.067 1.050 0.230 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.550 3.362 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -11.144 2.082 -3.136 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.628 2.503 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -10.275 0.849 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -13.198 1.745 -1.899 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -12.452 0.476 -0.898 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -13.231 1.877 -0.124 1.00 0.00 H new ATOM 710 N GLU B 11 -9.760 4.357 0.505 1.00 0.00 N ATOM 711 CA GLU B 11 -8.813 5.465 0.473 1.00 0.00 C ATOM 712 C GLU B 11 -7.868 5.419 1.678 1.00 0.00 C ATOM 713 O GLU B 11 -6.778 5.985 1.639 1.00 0.00 O ATOM 714 CB GLU B 11 -9.557 6.805 0.440 1.00 0.00 C ATOM 715 CG GLU B 11 -8.642 8.004 0.237 1.00 0.00 C ATOM 716 CD GLU B 11 -9.380 9.327 0.293 1.00 0.00 C ATOM 717 OE1 GLU B 11 -10.038 9.681 -0.706 1.00 0.00 O ATOM 718 OE2 GLU B 11 -9.292 10.012 1.333 1.00 0.00 O ATOM 0 H GLU B 11 -10.725 4.634 0.686 1.00 0.00 H new ATOM 0 HA GLU B 11 -8.216 5.368 -0.434 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -10.295 6.782 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -10.105 6.930 1.374 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -7.865 7.995 1.001 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -8.142 7.914 -0.727 1.00 0.00 H new ATOM 725 N GLU B 12 -8.277 4.740 2.742 1.00 0.00 N ATOM 726 CA GLU B 12 -7.420 4.576 3.908 1.00 0.00 C ATOM 727 C GLU B 12 -6.226 3.714 3.531 1.00 0.00 C ATOM 728 O GLU B 12 -5.078 4.040 3.835 1.00 0.00 O ATOM 729 CB GLU B 12 -8.183 3.933 5.066 1.00 0.00 C ATOM 730 CG GLU B 12 -7.370 3.836 6.345 1.00 0.00 C ATOM 731 CD GLU B 12 -8.115 3.130 7.456 1.00 0.00 C ATOM 732 OE1 GLU B 12 -7.809 1.949 7.718 1.00 0.00 O ATOM 733 OE2 GLU B 12 -9.007 3.758 8.063 1.00 0.00 O ATOM 0 H GLU B 12 -9.192 4.296 2.821 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.081 5.559 4.235 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.086 4.511 5.262 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.502 2.933 4.770 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -6.441 3.304 6.141 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -7.098 4.839 6.675 1.00 0.00 H new ATOM 740 N LEU B 13 -6.512 2.621 2.841 1.00 0.00 N ATOM 741 CA LEU B 13 -5.468 1.757 2.325 1.00 0.00 C ATOM 742 C LEU B 13 -4.692 2.483 1.237 1.00 0.00 C ATOM 743 O LEU B 13 -3.488 2.297 1.092 1.00 0.00 O ATOM 744 CB LEU B 13 -6.065 0.463 1.777 1.00 0.00 C ATOM 745 CG LEU B 13 -6.810 -0.394 2.799 1.00 0.00 C ATOM 746 CD1 LEU B 13 -7.269 -1.689 2.163 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.933 -0.683 4.005 1.00 0.00 C ATOM 0 H LEU B 13 -7.460 2.313 2.626 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.788 1.502 3.138 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.751 0.712 0.967 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -5.262 -0.133 1.343 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.684 0.162 3.138 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.798 -2.290 2.902 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.936 -1.469 1.330 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -6.403 -2.242 1.798 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.485 -1.295 4.718 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -5.039 -1.218 3.685 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.645 0.256 4.478 1.00 0.00 H new ATOM 759 N LEU B 14 -5.403 3.317 0.488 1.00 0.00 N ATOM 760 CA LEU B 14 -4.805 4.156 -0.548 1.00 0.00 C ATOM 761 C LEU B 14 -3.765 5.094 0.057 1.00 0.00 C ATOM 762 O LEU B 14 -2.767 5.430 -0.574 1.00 0.00 O ATOM 763 CB LEU B 14 -5.900 4.987 -1.220 1.00 0.00 C ATOM 764 CG LEU B 14 -5.511 5.661 -2.538 1.00 0.00 C ATOM 765 CD1 LEU B 14 -5.368 4.630 -3.643 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.540 6.713 -2.916 1.00 0.00 C ATOM 0 H LEU B 14 -6.412 3.432 0.581 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.317 3.514 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.759 4.341 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -6.225 5.758 -0.521 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.547 6.153 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -5.091 5.128 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.594 3.911 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -6.316 4.109 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -6.250 7.184 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.516 6.242 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.593 7.469 -2.132 1.00 0.00 H new ATOM 778 N SER B 15 -4.015 5.496 1.293 1.00 0.00 N ATOM 779 CA SER B 15 -3.175 6.457 1.985 1.00 0.00 C ATOM 780 C SER B 15 -1.831 5.847 2.351 1.00 0.00 C ATOM 781 O SER B 15 -0.787 6.466 2.139 1.00 0.00 O ATOM 782 CB SER B 15 -3.883 6.975 3.236 1.00 0.00 C ATOM 783 OG SER B 15 -5.102 7.618 2.899 1.00 0.00 O ATOM 0 H SER B 15 -4.807 5.164 1.844 1.00 0.00 H new ATOM 0 HA SER B 15 -2.992 7.294 1.311 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.080 6.146 3.916 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.233 7.673 3.764 1.00 0.00 H new ATOM 0 HG SER B 15 -5.701 6.976 2.465 1.00 0.00 H new ATOM 789 N LYS B 16 -1.839 4.635 2.895 1.00 0.00 N ATOM 790 CA LYS B 16 -0.579 3.984 3.209 1.00 0.00 C ATOM 791 C LYS B 16 0.043 3.406 1.948 1.00 0.00 C ATOM 792 O LYS B 16 1.256 3.361 1.837 1.00 0.00 O ATOM 793 CB LYS B 16 -0.713 2.923 4.307 1.00 0.00 C ATOM 794 CG LYS B 16 -1.643 1.766 3.993 1.00 0.00 C ATOM 795 CD LYS B 16 -1.665 0.776 5.149 1.00 0.00 C ATOM 796 CE LYS B 16 -2.538 -0.429 4.853 1.00 0.00 C ATOM 797 NZ LYS B 16 -2.620 -1.352 6.015 1.00 0.00 N ATOM 0 H LYS B 16 -2.677 4.100 3.121 1.00 0.00 H new ATOM 0 HA LYS B 16 0.088 4.747 3.611 1.00 0.00 H new ATOM 0 HB2 LYS B 16 0.277 2.521 4.522 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -1.063 3.410 5.217 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -2.650 2.140 3.807 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -1.316 1.265 3.082 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -0.649 0.443 5.360 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -2.030 1.276 6.046 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -3.540 -0.094 4.584 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -2.138 -0.964 3.992 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -3.225 -2.162 5.773 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -1.667 -1.692 6.256 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -3.025 -0.849 6.830 1.00 0.00 H new ATOM 811 N ASN B 17 -0.792 3.001 0.990 1.00 0.00 N ATOM 812 CA ASN B 17 -0.308 2.628 -0.344 1.00 0.00 C ATOM 813 C ASN B 17 0.531 3.755 -0.909 1.00 0.00 C ATOM 814 O ASN B 17 1.614 3.534 -1.446 1.00 0.00 O ATOM 815 CB ASN B 17 -1.479 2.361 -1.289 1.00 0.00 C ATOM 816 CG ASN B 17 -1.731 0.888 -1.515 1.00 0.00 C ATOM 817 OD1 ASN B 17 -0.808 0.083 -1.563 1.00 0.00 O ATOM 818 ND2 ASN B 17 -2.994 0.526 -1.657 1.00 0.00 N ATOM 0 H ASN B 17 -1.802 2.922 1.110 1.00 0.00 H new ATOM 0 HA ASN B 17 0.289 1.721 -0.253 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -2.380 2.820 -0.881 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -1.282 2.842 -2.247 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -3.229 -0.454 -1.813 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -3.734 1.227 -1.611 1.00 0.00 H new ATOM 825 N TYR B 18 0.015 4.972 -0.766 1.00 0.00 N ATOM 826 CA TYR B 18 0.726 6.163 -1.211 1.00 0.00 C ATOM 827 C TYR B 18 2.088 6.274 -0.525 1.00 0.00 C ATOM 828 O TYR B 18 3.083 6.645 -1.145 1.00 0.00 O ATOM 829 CB TYR B 18 -0.117 7.410 -0.922 1.00 0.00 C ATOM 830 CG TYR B 18 0.569 8.713 -1.260 1.00 0.00 C ATOM 831 CD1 TYR B 18 0.736 9.111 -2.580 1.00 0.00 C ATOM 832 CD2 TYR B 18 1.045 9.547 -0.256 1.00 0.00 C ATOM 833 CE1 TYR B 18 1.357 10.305 -2.889 1.00 0.00 C ATOM 834 CE2 TYR B 18 1.668 10.740 -0.559 1.00 0.00 C ATOM 835 CZ TYR B 18 1.823 11.114 -1.875 1.00 0.00 C ATOM 836 OH TYR B 18 2.441 12.307 -2.177 1.00 0.00 O ATOM 0 H TYR B 18 -0.895 5.158 -0.344 1.00 0.00 H new ATOM 0 HA TYR B 18 0.894 6.085 -2.285 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.047 7.345 -1.487 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.385 7.417 0.134 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.375 8.477 -3.377 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.925 9.257 0.777 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.477 10.603 -3.920 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.033 11.378 0.233 1.00 0.00 H new ATOM 0 HH TYR B 18 2.708 12.756 -1.348 1.00 0.00 H new ATOM 846 N HIS B 19 2.130 5.922 0.753 1.00 0.00 N ATOM 847 CA HIS B 19 3.348 6.051 1.541 1.00 0.00 C ATOM 848 C HIS B 19 4.312 4.896 1.283 1.00 0.00 C ATOM 849 O HIS B 19 5.506 5.117 1.104 1.00 0.00 O ATOM 850 CB HIS B 19 3.015 6.148 3.030 1.00 0.00 C ATOM 851 CG HIS B 19 2.496 7.493 3.435 1.00 0.00 C ATOM 852 ND1 HIS B 19 1.156 7.816 3.456 1.00 0.00 N ATOM 853 CD2 HIS B 19 3.152 8.607 3.831 1.00 0.00 C ATOM 854 CE1 HIS B 19 1.014 9.068 3.846 1.00 0.00 C ATOM 855 NE2 HIS B 19 2.209 9.569 4.081 1.00 0.00 N ATOM 0 H HIS B 19 1.334 5.545 1.266 1.00 0.00 H new ATOM 0 HA HIS B 19 3.845 6.970 1.231 1.00 0.00 H new ATOM 0 HB2 HIS B 19 2.273 5.390 3.279 1.00 0.00 H new ATOM 0 HB3 HIS B 19 3.909 5.922 3.611 1.00 0.00 H new ATOM 0 HD1 HIS B 19 0.393 7.185 3.209 1.00 0.00 H new ATOM 0 HD2 HIS B 19 4.222 8.718 3.932 1.00 0.00 H new ATOM 0 HE1 HIS B 19 0.077 9.593 3.954 1.00 0.00 H new ATOM 864 N LEU B 20 3.791 3.672 1.259 1.00 0.00 N ATOM 865 CA LEU B 20 4.609 2.487 0.999 1.00 0.00 C ATOM 866 C LEU B 20 5.281 2.613 -0.348 1.00 0.00 C ATOM 867 O LEU B 20 6.494 2.482 -0.465 1.00 0.00 O ATOM 868 CB LEU B 20 3.758 1.211 0.983 1.00 0.00 C ATOM 869 CG LEU B 20 2.839 0.994 2.173 1.00 0.00 C ATOM 870 CD1 LEU B 20 2.273 -0.413 2.172 1.00 0.00 C ATOM 871 CD2 LEU B 20 3.544 1.295 3.489 1.00 0.00 C ATOM 0 H LEU B 20 2.803 3.473 1.417 1.00 0.00 H new ATOM 0 HA LEU B 20 5.347 2.419 1.798 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.149 1.218 0.079 1.00 0.00 H new ATOM 0 HB3 LEU B 20 4.428 0.355 0.909 1.00 0.00 H new ATOM 0 HG LEU B 20 2.010 1.695 2.077 1.00 0.00 H new ATOM 0 HD11 LEU B 20 1.619 -0.543 3.034 1.00 0.00 H new ATOM 0 HD12 LEU B 20 1.704 -0.576 1.257 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.089 -1.134 2.225 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.855 1.129 4.317 1.00 0.00 H new ATOM 0 HD22 LEU B 20 4.407 0.639 3.598 1.00 0.00 H new ATOM 0 HD23 LEU B 20 3.875 2.334 3.495 1.00 0.00 H new ATOM 883 N GLU B 21 4.467 2.879 -1.358 1.00 0.00 N ATOM 884 CA GLU B 21 4.941 2.944 -2.737 1.00 0.00 C ATOM 885 C GLU B 21 6.068 3.965 -2.887 1.00 0.00 C ATOM 886 O GLU B 21 7.056 3.711 -3.584 1.00 0.00 O ATOM 887 CB GLU B 21 3.786 3.286 -3.680 1.00 0.00 C ATOM 888 CG GLU B 21 3.892 2.599 -5.030 1.00 0.00 C ATOM 889 CD GLU B 21 2.726 2.915 -5.944 1.00 0.00 C ATOM 890 OE1 GLU B 21 2.852 3.847 -6.764 1.00 0.00 O ATOM 891 OE2 GLU B 21 1.689 2.229 -5.841 1.00 0.00 O ATOM 0 H GLU B 21 3.468 3.055 -1.250 1.00 0.00 H new ATOM 0 HA GLU B 21 5.337 1.964 -3.003 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.845 3.003 -3.209 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.756 4.365 -3.830 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.820 2.902 -5.515 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.948 1.521 -4.880 1.00 0.00 H new ATOM 898 N ASN B 22 5.927 5.109 -2.225 1.00 0.00 N ATOM 899 CA ASN B 22 6.968 6.136 -2.251 1.00 0.00 C ATOM 900 C ASN B 22 8.154 5.724 -1.390 1.00 0.00 C ATOM 901 O ASN B 22 9.306 6.006 -1.726 1.00 0.00 O ATOM 902 CB ASN B 22 6.422 7.487 -1.782 1.00 0.00 C ATOM 903 CG ASN B 22 5.547 8.158 -2.823 1.00 0.00 C ATOM 904 OD1 ASN B 22 5.722 7.959 -4.027 1.00 0.00 O ATOM 905 ND2 ASN B 22 4.598 8.961 -2.371 1.00 0.00 N ATOM 0 H ASN B 22 5.108 5.349 -1.667 1.00 0.00 H new ATOM 0 HA ASN B 22 7.304 6.241 -3.283 1.00 0.00 H new ATOM 0 HB2 ASN B 22 5.847 7.344 -0.867 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.255 8.145 -1.535 1.00 0.00 H new ATOM 0 HD21 ASN B 22 3.981 9.440 -3.026 1.00 0.00 H new ATOM 0 HD22 ASN B 22 4.484 9.101 -1.367 1.00 0.00 H new ATOM 912 N GLU B 23 7.870 5.047 -0.281 1.00 0.00 N ATOM 913 CA GLU B 23 8.918 4.557 0.603 1.00 0.00 C ATOM 914 C GLU B 23 9.792 3.544 -0.132 1.00 0.00 C ATOM 915 O GLU B 23 11.018 3.582 -0.035 1.00 0.00 O ATOM 916 CB GLU B 23 8.304 3.921 1.855 1.00 0.00 C ATOM 917 CG GLU B 23 9.318 3.556 2.930 1.00 0.00 C ATOM 918 CD GLU B 23 9.933 4.768 3.601 1.00 0.00 C ATOM 919 OE1 GLU B 23 10.971 5.255 3.109 1.00 0.00 O ATOM 920 OE2 GLU B 23 9.378 5.227 4.621 1.00 0.00 O ATOM 0 H GLU B 23 6.922 4.826 0.025 1.00 0.00 H new ATOM 0 HA GLU B 23 9.539 5.398 0.911 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.574 4.611 2.279 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.761 3.022 1.563 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.832 2.937 3.685 1.00 0.00 H new ATOM 0 HG3 GLU B 23 10.110 2.953 2.485 1.00 0.00 H new ATOM 927 N VAL B 24 9.145 2.651 -0.876 1.00 0.00 N ATOM 928 CA VAL B 24 9.846 1.651 -1.674 1.00 0.00 C ATOM 929 C VAL B 24 10.778 2.323 -2.680 1.00 0.00 C ATOM 930 O VAL B 24 11.940 1.942 -2.817 1.00 0.00 O ATOM 931 CB VAL B 24 8.866 0.744 -2.459 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.626 -0.264 -3.300 1.00 0.00 C ATOM 933 CG2 VAL B 24 7.907 0.025 -1.529 1.00 0.00 C ATOM 0 H VAL B 24 8.128 2.600 -0.942 1.00 0.00 H new ATOM 0 HA VAL B 24 10.415 1.040 -0.974 1.00 0.00 H new ATOM 0 HB VAL B 24 8.282 1.388 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.919 -0.891 -3.843 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.264 0.262 -4.010 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.241 -0.888 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.234 -0.602 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL B 24 8.471 -0.597 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.325 0.757 -0.969 1.00 0.00 H new ATOM 943 N ALA B 25 10.252 3.332 -3.367 1.00 0.00 N ATOM 944 CA ALA B 25 10.981 4.013 -4.430 1.00 0.00 C ATOM 945 C ALA B 25 12.306 4.583 -3.934 1.00 0.00 C ATOM 946 O ALA B 25 13.362 4.309 -4.511 1.00 0.00 O ATOM 947 CB ALA B 25 10.120 5.116 -5.028 1.00 0.00 C ATOM 0 H ALA B 25 9.314 3.699 -3.204 1.00 0.00 H new ATOM 0 HA ALA B 25 11.211 3.277 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.673 5.619 -5.821 1.00 0.00 H new ATOM 0 HB2 ALA B 25 9.208 4.683 -5.439 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.862 5.837 -4.252 1.00 0.00 H new ATOM 953 N ARG B 26 12.254 5.362 -2.860 1.00 0.00 N ATOM 954 CA ARG B 26 13.456 5.985 -2.315 1.00 0.00 C ATOM 955 C ARG B 26 14.408 4.934 -1.752 1.00 0.00 C ATOM 956 O ARG B 26 15.624 5.069 -1.860 1.00 0.00 O ATOM 957 CB ARG B 26 13.095 7.023 -1.248 1.00 0.00 C ATOM 958 CG ARG B 26 12.264 6.478 -0.101 1.00 0.00 C ATOM 959 CD ARG B 26 11.738 7.600 0.774 1.00 0.00 C ATOM 960 NE ARG B 26 10.837 8.487 0.041 1.00 0.00 N ATOM 961 CZ ARG B 26 10.248 9.557 0.570 1.00 0.00 C ATOM 962 NH1 ARG B 26 10.470 9.885 1.836 1.00 0.00 N ATOM 963 NH2 ARG B 26 9.441 10.304 -0.170 1.00 0.00 N ATOM 0 H ARG B 26 11.397 5.577 -2.351 1.00 0.00 H new ATOM 0 HA ARG B 26 13.968 6.500 -3.128 1.00 0.00 H new ATOM 0 HB2 ARG B 26 14.015 7.447 -0.845 1.00 0.00 H new ATOM 0 HB3 ARG B 26 12.548 7.838 -1.722 1.00 0.00 H new ATOM 0 HG2 ARG B 26 11.429 5.899 -0.496 1.00 0.00 H new ATOM 0 HG3 ARG B 26 12.869 5.798 0.499 1.00 0.00 H new ATOM 0 HD2 ARG B 26 11.213 7.177 1.630 1.00 0.00 H new ATOM 0 HD3 ARG B 26 12.575 8.177 1.167 1.00 0.00 H new ATOM 0 HE ARG B 26 10.648 8.273 -0.938 1.00 0.00 H new ATOM 0 HH11 ARG B 26 11.094 9.316 2.408 1.00 0.00 H new ATOM 0 HH12 ARG B 26 10.017 10.706 2.237 1.00 0.00 H new ATOM 0 HH21 ARG B 26 9.271 10.059 -1.145 1.00 0.00 H new ATOM 0 HH22 ARG B 26 8.990 11.124 0.236 1.00 0.00 H new ATOM 977 N LEU B 27 13.850 3.880 -1.174 1.00 0.00 N ATOM 978 CA LEU B 27 14.649 2.761 -0.684 1.00 0.00 C ATOM 979 C LEU B 27 15.397 2.096 -1.835 1.00 0.00 C ATOM 980 O LEU B 27 16.589 1.810 -1.733 1.00 0.00 O ATOM 981 CB LEU B 27 13.753 1.740 0.013 1.00 0.00 C ATOM 982 CG LEU B 27 13.644 1.853 1.541 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.633 3.300 2.007 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.384 1.149 2.010 1.00 0.00 C ATOM 0 H LEU B 27 12.846 3.774 -1.032 1.00 0.00 H new ATOM 0 HA LEU B 27 15.377 3.143 0.032 1.00 0.00 H new ATOM 0 HB2 LEU B 27 12.751 1.823 -0.407 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.119 0.743 -0.230 1.00 0.00 H new ATOM 0 HG LEU B 27 14.523 1.378 1.976 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.555 3.332 3.094 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.556 3.790 1.695 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.781 3.818 1.567 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.305 1.228 3.094 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.514 1.615 1.548 1.00 0.00 H new ATOM 0 HD23 LEU B 27 12.427 0.098 1.725 1.00 0.00 H new ATOM 996 N LYS B 28 14.694 1.879 -2.941 1.00 0.00 N ATOM 997 CA LYS B 28 15.290 1.266 -4.122 1.00 0.00 C ATOM 998 C LYS B 28 16.303 2.195 -4.784 1.00 0.00 C ATOM 999 O LYS B 28 17.065 1.768 -5.645 1.00 0.00 O ATOM 1000 CB LYS B 28 14.212 0.866 -5.131 1.00 0.00 C ATOM 1001 CG LYS B 28 13.456 -0.390 -4.739 1.00 0.00 C ATOM 1002 CD LYS B 28 14.016 -1.661 -5.386 1.00 0.00 C ATOM 1003 CE LYS B 28 15.496 -1.901 -5.088 1.00 0.00 C ATOM 1004 NZ LYS B 28 16.396 -1.229 -6.071 1.00 0.00 N ATOM 0 H LYS B 28 13.708 2.119 -3.044 1.00 0.00 H new ATOM 0 HA LYS B 28 15.815 0.370 -3.791 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.504 1.688 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS B 28 14.676 0.713 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.485 -0.500 -3.655 1.00 0.00 H new ATOM 0 HG3 LYS B 28 12.409 -0.278 -5.021 1.00 0.00 H new ATOM 0 HD2 LYS B 28 13.441 -2.519 -5.038 1.00 0.00 H new ATOM 0 HD3 LYS B 28 13.877 -1.600 -6.465 1.00 0.00 H new ATOM 0 HE2 LYS B 28 15.724 -1.539 -4.086 1.00 0.00 H new ATOM 0 HE3 LYS B 28 15.695 -2.973 -5.093 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 17.324 -1.698 -6.069 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 15.979 -1.290 -7.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 16.513 -0.230 -5.808 1.00 0.00 H new ATOM 1018 N LYS B 29 16.298 3.462 -4.386 1.00 0.00 N ATOM 1019 CA LYS B 29 17.288 4.418 -4.862 1.00 0.00 C ATOM 1020 C LYS B 29 18.612 4.180 -4.143 1.00 0.00 C ATOM 1021 O LYS B 29 19.687 4.262 -4.738 1.00 0.00 O ATOM 1022 CB LYS B 29 16.796 5.854 -4.626 1.00 0.00 C ATOM 1023 CG LYS B 29 17.791 6.947 -5.012 1.00 0.00 C ATOM 1024 CD LYS B 29 17.701 7.334 -6.487 1.00 0.00 C ATOM 1025 CE LYS B 29 18.353 6.309 -7.402 1.00 0.00 C ATOM 1026 NZ LYS B 29 18.308 6.733 -8.827 1.00 0.00 N ATOM 0 H LYS B 29 15.617 3.851 -3.733 1.00 0.00 H new ATOM 0 HA LYS B 29 17.437 4.280 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS B 29 15.876 6.005 -5.191 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.545 5.968 -3.571 1.00 0.00 H new ATOM 0 HG2 LYS B 29 17.611 7.829 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS B 29 18.802 6.606 -4.791 1.00 0.00 H new ATOM 0 HD2 LYS B 29 16.653 7.449 -6.765 1.00 0.00 H new ATOM 0 HD3 LYS B 29 18.178 8.303 -6.634 1.00 0.00 H new ATOM 0 HE2 LYS B 29 19.390 6.159 -7.100 1.00 0.00 H new ATOM 0 HE3 LYS B 29 17.847 5.350 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 18.762 6.009 -9.419 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 17.318 6.852 -9.123 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 18.812 7.636 -8.937 1.00 0.00 H new ATOM 1040 N LEU B 30 18.516 3.868 -2.857 1.00 0.00 N ATOM 1041 CA LEU B 30 19.684 3.551 -2.048 1.00 0.00 C ATOM 1042 C LEU B 30 20.147 2.130 -2.339 1.00 0.00 C ATOM 1043 O LEU B 30 21.340 1.844 -2.357 1.00 0.00 O ATOM 1044 CB LEU B 30 19.378 3.730 -0.555 1.00 0.00 C ATOM 1045 CG LEU B 30 19.405 5.179 -0.043 1.00 0.00 C ATOM 1046 CD1 LEU B 30 18.337 6.033 -0.706 1.00 0.00 C ATOM 1047 CD2 LEU B 30 19.239 5.206 1.465 1.00 0.00 C ATOM 0 H LEU B 30 17.632 3.828 -2.349 1.00 0.00 H new ATOM 0 HA LEU B 30 20.487 4.240 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU B 30 18.393 3.309 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU B 30 20.099 3.147 0.018 1.00 0.00 H new ATOM 0 HG LEU B 30 20.374 5.603 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU B 30 18.390 7.050 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU B 30 18.501 6.048 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU B 30 17.353 5.614 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU B 30 19.260 6.238 1.815 1.00 0.00 H new ATOM 0 HD22 LEU B 30 18.286 4.751 1.734 1.00 0.00 H new ATOM 0 HD23 LEU B 30 20.052 4.649 1.931 1.00 0.00 H new ATOM 1059 N VAL B 31 19.190 1.247 -2.596 1.00 0.00 N ATOM 1060 CA VAL B 31 19.495 -0.095 -3.075 1.00 0.00 C ATOM 1061 C VAL B 31 19.541 -0.062 -4.603 1.00 0.00 C ATOM 1062 O VAL B 31 19.152 -1.006 -5.293 1.00 0.00 O ATOM 1063 CB VAL B 31 18.452 -1.137 -2.600 1.00 0.00 C ATOM 1064 CG1 VAL B 31 18.949 -2.555 -2.838 1.00 0.00 C ATOM 1065 CG2 VAL B 31 18.111 -0.941 -1.133 1.00 0.00 C ATOM 0 H VAL B 31 18.194 1.437 -2.480 1.00 0.00 H new ATOM 0 HA VAL B 31 20.458 -0.400 -2.664 1.00 0.00 H new ATOM 0 HB VAL B 31 17.546 -0.985 -3.187 1.00 0.00 H new ATOM 0 HG11 VAL B 31 18.197 -3.266 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL B 31 19.130 -2.703 -3.903 1.00 0.00 H new ATOM 0 HG13 VAL B 31 19.876 -2.713 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL B 31 17.377 -1.686 -0.827 1.00 0.00 H new ATOM 0 HG22 VAL B 31 19.013 -1.053 -0.532 1.00 0.00 H new ATOM 0 HG23 VAL B 31 17.698 0.057 -0.986 1.00 0.00 H new ATOM 1075 N GLY B 32 19.978 1.074 -5.115 1.00 0.00 N ATOM 1076 CA GLY B 32 20.079 1.272 -6.541 1.00 0.00 C ATOM 1077 C GLY B 32 21.430 1.829 -6.925 1.00 0.00 C ATOM 1078 O GLY B 32 22.166 1.220 -7.700 1.00 0.00 O ATOM 0 H GLY B 32 20.269 1.876 -4.556 1.00 0.00 H new ATOM 0 HA2 GLY B 32 19.915 0.324 -7.054 1.00 0.00 H new ATOM 0 HA3 GLY B 32 19.295 1.953 -6.872 1.00 0.00 H new ATOM 1082 N GLU B 33 21.757 2.989 -6.374 1.00 0.00 N ATOM 1083 CA GLU B 33 23.055 3.607 -6.591 1.00 0.00 C ATOM 1084 C GLU B 33 23.672 3.998 -5.253 1.00 0.00 C ATOM 1085 O GLU B 33 23.462 5.145 -4.808 1.00 0.00 O ATOM 1086 CB GLU B 33 22.924 4.839 -7.492 1.00 0.00 C ATOM 1087 CG GLU B 33 22.535 4.521 -8.929 1.00 0.00 C ATOM 1088 CD GLU B 33 23.623 3.779 -9.685 1.00 0.00 C ATOM 1089 OE1 GLU B 33 24.511 4.448 -10.251 1.00 0.00 O ATOM 1090 OE2 GLU B 33 23.584 2.533 -9.715 1.00 0.00 O ATOM 1091 OXT GLU B 33 24.339 3.146 -4.633 1.00 0.00 O ATOM 0 H GLU B 33 21.135 3.524 -5.768 1.00 0.00 H new ATOM 0 HA GLU B 33 23.705 2.887 -7.088 1.00 0.00 H new ATOM 0 HB2 GLU B 33 22.178 5.510 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU B 33 23.872 5.376 -7.494 1.00 0.00 H new ATOM 0 HG2 GLU B 33 21.625 3.921 -8.929 1.00 0.00 H new ATOM 0 HG3 GLU B 33 22.305 5.449 -9.452 1.00 0.00 H new TER 1098 GLU B 33