USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1145 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 GLN : amide:sc= 0 X(o=0.95,f=1.3) USER MOD Set 1.2: A 26 LYS NZ :NH3+ 150:sc= 0.954 (180deg=0.216) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.037 K(o=-0.037,f=-1.6!) USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= 0.806 (180deg=0.715) USER MOD Single : A 27 GLN : amide:sc= 0.831 K(o=0.83,f=0) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -50:sc= 0.116 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.073) USER MOD Single : A 56 ASN : amide:sc= -0.0762 K(o=-0.076,f=-1.6) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -65:sc= 0.22 USER MOD Single : A 68 MET CE :methyl 150:sc= -0.68 (180deg=-2.71) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -26:sc= 0.258 USER MOD Single : A 79 CYS SG : rot -85:sc= 0.029 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 157:sc= -0.195 (180deg=-0.742) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.68) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -3.04! C(o=-3!,f=-6.2!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -137:sc= 0.798 (180deg=-0.676) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=-0.0063) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 35.948 -30.210 27.737 1.00 0.00 N ATOM 2 CA PRO A 1 35.669 -31.114 26.608 1.00 0.00 C ATOM 3 C PRO A 1 34.507 -30.575 25.769 1.00 0.00 C ATOM 4 O PRO A 1 33.430 -30.363 26.318 1.00 0.00 O ATOM 5 CB PRO A 1 35.328 -32.476 27.234 1.00 0.00 C ATOM 6 CG PRO A 1 34.779 -32.122 28.623 1.00 0.00 C ATOM 7 CD PRO A 1 35.564 -30.863 29.000 1.00 0.00 C ATOM 0 H2 PRO A 1 35.431 -29.338 27.623 1.00 0.00 H new ATOM 0 H3 PRO A 1 36.939 -29.969 27.755 1.00 0.00 H new ATOM 0 HA PRO A 1 36.521 -31.200 25.934 1.00 0.00 H new ATOM 0 HB2 PRO A 1 34.590 -33.015 26.639 1.00 0.00 H new ATOM 0 HB3 PRO A 1 36.209 -33.114 27.304 1.00 0.00 H new ATOM 0 HG2 PRO A 1 33.706 -31.934 28.596 1.00 0.00 H new ATOM 0 HG3 PRO A 1 34.943 -32.928 29.338 1.00 0.00 H new ATOM 0 HD2 PRO A 1 34.956 -30.196 29.611 1.00 0.00 H new ATOM 0 HD3 PRO A 1 36.446 -31.118 29.588 1.00 0.00 H new ATOM 15 N ALA A 2 34.721 -30.360 24.461 1.00 0.00 N ATOM 16 CA ALA A 2 33.729 -29.856 23.500 1.00 0.00 C ATOM 17 C ALA A 2 33.018 -28.548 23.910 1.00 0.00 C ATOM 18 O ALA A 2 31.925 -28.271 23.428 1.00 0.00 O ATOM 19 CB ALA A 2 32.749 -30.981 23.133 1.00 0.00 C ATOM 0 H ALA A 2 35.627 -30.540 24.028 1.00 0.00 H new ATOM 0 HA ALA A 2 34.283 -29.558 22.610 1.00 0.00 H new ATOM 0 HB1 ALA A 2 32.014 -30.606 22.421 1.00 0.00 H new ATOM 0 HB2 ALA A 2 33.298 -31.810 22.686 1.00 0.00 H new ATOM 0 HB3 ALA A 2 32.239 -31.327 24.032 1.00 0.00 H new ATOM 25 N ALA A 3 33.615 -27.774 24.817 1.00 0.00 N ATOM 26 CA ALA A 3 33.089 -26.505 25.304 1.00 0.00 C ATOM 27 C ALA A 3 33.904 -25.366 24.688 1.00 0.00 C ATOM 28 O ALA A 3 35.013 -25.590 24.195 1.00 0.00 O ATOM 29 CB ALA A 3 33.155 -26.479 26.837 1.00 0.00 C ATOM 0 H ALA A 3 34.507 -28.024 25.245 1.00 0.00 H new ATOM 0 HA ALA A 3 32.046 -26.383 25.012 1.00 0.00 H new ATOM 0 HB1 ALA A 3 32.762 -25.530 27.202 1.00 0.00 H new ATOM 0 HB2 ALA A 3 32.560 -27.298 27.241 1.00 0.00 H new ATOM 0 HB3 ALA A 3 34.191 -26.590 27.159 1.00 0.00 H new ATOM 35 N SER A 4 33.388 -24.146 24.780 1.00 0.00 N ATOM 36 CA SER A 4 33.984 -22.927 24.254 1.00 0.00 C ATOM 37 C SER A 4 33.837 -21.797 25.286 1.00 0.00 C ATOM 38 O SER A 4 33.022 -21.919 26.205 1.00 0.00 O ATOM 39 CB SER A 4 33.279 -22.586 22.926 1.00 0.00 C ATOM 40 OG SER A 4 31.891 -22.882 22.964 1.00 0.00 O ATOM 0 H SER A 4 32.498 -23.973 25.247 1.00 0.00 H new ATOM 0 HA SER A 4 35.049 -23.058 24.064 1.00 0.00 H new ATOM 0 HB2 SER A 4 33.417 -21.528 22.705 1.00 0.00 H new ATOM 0 HB3 SER A 4 33.746 -23.145 22.115 1.00 0.00 H new ATOM 0 HG SER A 4 31.483 -22.649 22.104 1.00 0.00 H new ATOM 46 N PRO A 5 34.623 -20.708 25.179 1.00 0.00 N ATOM 47 CA PRO A 5 34.524 -19.590 26.109 1.00 0.00 C ATOM 48 C PRO A 5 33.238 -18.795 25.841 1.00 0.00 C ATOM 49 O PRO A 5 32.595 -18.948 24.799 1.00 0.00 O ATOM 50 CB PRO A 5 35.781 -18.751 25.857 1.00 0.00 C ATOM 51 CG PRO A 5 36.056 -18.981 24.373 1.00 0.00 C ATOM 52 CD PRO A 5 35.633 -20.435 24.164 1.00 0.00 C ATOM 0 HA PRO A 5 34.470 -19.908 27.150 1.00 0.00 H new ATOM 0 HB2 PRO A 5 35.613 -17.697 26.078 1.00 0.00 H new ATOM 0 HB3 PRO A 5 36.615 -19.078 26.477 1.00 0.00 H new ATOM 0 HG2 PRO A 5 35.481 -18.300 23.746 1.00 0.00 H new ATOM 0 HG3 PRO A 5 37.107 -18.828 24.129 1.00 0.00 H new ATOM 0 HD2 PRO A 5 35.230 -20.584 23.162 1.00 0.00 H new ATOM 0 HD3 PRO A 5 36.484 -21.108 24.269 1.00 0.00 H new ATOM 60 N SER A 6 32.881 -17.917 26.777 1.00 0.00 N ATOM 61 CA SER A 6 31.701 -17.072 26.700 1.00 0.00 C ATOM 62 C SER A 6 31.750 -16.189 25.448 1.00 0.00 C ATOM 63 O SER A 6 32.713 -15.444 25.249 1.00 0.00 O ATOM 64 CB SER A 6 31.635 -16.217 27.971 1.00 0.00 C ATOM 65 OG SER A 6 31.818 -17.024 29.125 1.00 0.00 O ATOM 0 H SER A 6 33.422 -17.774 27.630 1.00 0.00 H new ATOM 0 HA SER A 6 30.806 -17.689 26.627 1.00 0.00 H new ATOM 0 HB2 SER A 6 32.402 -15.443 27.936 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.672 -15.709 28.025 1.00 0.00 H new ATOM 0 HG SER A 6 31.775 -16.463 29.927 1.00 0.00 H new ATOM 71 N ALA A 7 30.731 -16.297 24.590 1.00 0.00 N ATOM 72 CA ALA A 7 30.651 -15.500 23.376 1.00 0.00 C ATOM 73 C ALA A 7 30.405 -14.029 23.736 1.00 0.00 C ATOM 74 O ALA A 7 29.975 -13.706 24.845 1.00 0.00 O ATOM 75 CB ALA A 7 29.532 -16.028 22.472 1.00 0.00 C ATOM 0 H ALA A 7 29.947 -16.936 24.721 1.00 0.00 H new ATOM 0 HA ALA A 7 31.594 -15.575 22.835 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.481 -15.424 21.566 1.00 0.00 H new ATOM 0 HB2 ALA A 7 29.738 -17.065 22.206 1.00 0.00 H new ATOM 0 HB3 ALA A 7 28.580 -15.971 23.000 1.00 0.00 H new ATOM 81 N LEU A 8 30.642 -13.137 22.772 1.00 0.00 N ATOM 82 CA LEU A 8 30.471 -11.697 22.928 1.00 0.00 C ATOM 83 C LEU A 8 29.289 -11.250 22.077 1.00 0.00 C ATOM 84 O LEU A 8 29.026 -11.828 21.018 1.00 0.00 O ATOM 85 CB LEU A 8 31.759 -10.961 22.519 1.00 0.00 C ATOM 86 CG LEU A 8 33.006 -11.365 23.333 1.00 0.00 C ATOM 87 CD1 LEU A 8 34.241 -10.660 22.760 1.00 0.00 C ATOM 88 CD2 LEU A 8 32.869 -11.013 24.820 1.00 0.00 C ATOM 0 H LEU A 8 30.965 -13.405 21.842 1.00 0.00 H new ATOM 0 HA LEU A 8 30.271 -11.455 23.972 1.00 0.00 H new ATOM 0 HB2 LEU A 8 31.952 -11.150 21.463 1.00 0.00 H new ATOM 0 HB3 LEU A 8 31.601 -9.888 22.627 1.00 0.00 H new ATOM 0 HG LEU A 8 33.111 -12.447 23.256 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.122 -10.945 23.335 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.377 -10.953 21.719 1.00 0.00 H new ATOM 0 HD13 LEU A 8 34.103 -9.580 22.818 1.00 0.00 H new ATOM 0 HD21 LEU A 8 33.771 -11.317 25.350 1.00 0.00 H new ATOM 0 HD22 LEU A 8 32.729 -9.937 24.928 1.00 0.00 H new ATOM 0 HD23 LEU A 8 32.009 -11.534 25.240 1.00 0.00 H new ATOM 100 N LYS A 9 28.581 -10.212 22.528 1.00 0.00 N ATOM 101 CA LYS A 9 27.416 -9.647 21.857 1.00 0.00 C ATOM 102 C LYS A 9 27.349 -8.151 22.135 1.00 0.00 C ATOM 103 O LYS A 9 27.832 -7.686 23.169 1.00 0.00 O ATOM 104 CB LYS A 9 26.139 -10.317 22.404 1.00 0.00 C ATOM 105 CG LYS A 9 25.827 -11.709 21.830 1.00 0.00 C ATOM 106 CD LYS A 9 25.535 -11.722 20.321 1.00 0.00 C ATOM 107 CE LYS A 9 24.312 -10.861 19.991 1.00 0.00 C ATOM 108 NZ LYS A 9 23.988 -10.866 18.551 1.00 0.00 N ATOM 0 H LYS A 9 28.812 -9.730 23.396 1.00 0.00 H new ATOM 0 HA LYS A 9 27.495 -9.820 20.784 1.00 0.00 H new ATOM 0 HB2 LYS A 9 26.229 -10.401 23.487 1.00 0.00 H new ATOM 0 HB3 LYS A 9 25.291 -9.662 22.204 1.00 0.00 H new ATOM 0 HG2 LYS A 9 26.671 -12.369 22.030 1.00 0.00 H new ATOM 0 HG3 LYS A 9 24.967 -12.122 22.358 1.00 0.00 H new ATOM 0 HD2 LYS A 9 26.403 -11.351 19.776 1.00 0.00 H new ATOM 0 HD3 LYS A 9 25.364 -12.746 19.989 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.453 -11.225 20.554 1.00 0.00 H new ATOM 0 HE3 LYS A 9 24.495 -9.837 20.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 23.154 -10.269 18.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 24.796 -10.494 18.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 23.786 -11.839 18.244 1.00 0.00 H new ATOM 122 N GLY A 10 26.710 -7.414 21.233 1.00 0.00 N ATOM 123 CA GLY A 10 26.498 -5.982 21.271 1.00 0.00 C ATOM 124 C GLY A 10 25.326 -5.678 20.343 1.00 0.00 C ATOM 125 O GLY A 10 24.801 -6.582 19.684 1.00 0.00 O ATOM 0 H GLY A 10 26.300 -7.837 20.400 1.00 0.00 H new ATOM 0 HA2 GLY A 10 26.281 -5.651 22.287 1.00 0.00 H new ATOM 0 HA3 GLY A 10 27.393 -5.451 20.948 1.00 0.00 H new ATOM 129 N VAL A 11 24.917 -4.416 20.281 1.00 0.00 N ATOM 130 CA VAL A 11 23.814 -3.939 19.454 1.00 0.00 C ATOM 131 C VAL A 11 24.202 -2.572 18.877 1.00 0.00 C ATOM 132 O VAL A 11 25.026 -1.859 19.466 1.00 0.00 O ATOM 133 CB VAL A 11 22.521 -3.962 20.303 1.00 0.00 C ATOM 134 CG1 VAL A 11 22.608 -3.088 21.565 1.00 0.00 C ATOM 135 CG2 VAL A 11 21.283 -3.578 19.487 1.00 0.00 C ATOM 0 H VAL A 11 25.358 -3.672 20.822 1.00 0.00 H new ATOM 0 HA VAL A 11 23.613 -4.578 18.594 1.00 0.00 H new ATOM 0 HB VAL A 11 22.417 -4.998 20.627 1.00 0.00 H new ATOM 0 HG11 VAL A 11 21.669 -3.149 22.115 1.00 0.00 H new ATOM 0 HG12 VAL A 11 23.422 -3.442 22.197 1.00 0.00 H new ATOM 0 HG13 VAL A 11 22.794 -2.053 21.279 1.00 0.00 H new ATOM 0 HG21 VAL A 11 20.401 -3.609 20.127 1.00 0.00 H new ATOM 0 HG22 VAL A 11 21.407 -2.571 19.089 1.00 0.00 H new ATOM 0 HG23 VAL A 11 21.158 -4.281 18.663 1.00 0.00 H new ATOM 145 N SER A 12 23.615 -2.187 17.743 1.00 0.00 N ATOM 146 CA SER A 12 23.893 -0.928 17.064 1.00 0.00 C ATOM 147 C SER A 12 22.593 -0.201 16.739 1.00 0.00 C ATOM 148 O SER A 12 22.008 -0.406 15.682 1.00 0.00 O ATOM 149 CB SER A 12 24.799 -1.159 15.831 1.00 0.00 C ATOM 150 OG SER A 12 25.012 -2.518 15.474 1.00 0.00 O ATOM 0 H SER A 12 22.918 -2.757 17.263 1.00 0.00 H new ATOM 0 HA SER A 12 24.453 -0.272 17.730 1.00 0.00 H new ATOM 0 HB2 SER A 12 24.360 -0.642 14.978 1.00 0.00 H new ATOM 0 HB3 SER A 12 25.767 -0.696 16.021 1.00 0.00 H new ATOM 0 HG SER A 12 25.593 -2.562 14.686 1.00 0.00 H new ATOM 156 N GLN A 13 22.138 0.645 17.660 1.00 0.00 N ATOM 157 CA GLN A 13 20.923 1.434 17.519 1.00 0.00 C ATOM 158 C GLN A 13 21.314 2.779 16.908 1.00 0.00 C ATOM 159 O GLN A 13 21.111 3.003 15.712 1.00 0.00 O ATOM 160 CB GLN A 13 20.328 1.556 18.930 1.00 0.00 C ATOM 161 CG GLN A 13 19.172 2.546 19.138 1.00 0.00 C ATOM 162 CD GLN A 13 18.889 2.743 20.630 1.00 0.00 C ATOM 163 OE1 GLN A 13 19.667 2.322 21.497 1.00 0.00 O ATOM 164 NE2 GLN A 13 17.809 3.415 20.969 1.00 0.00 N ATOM 0 H GLN A 13 22.618 0.803 18.546 1.00 0.00 H new ATOM 0 HA GLN A 13 20.174 0.989 16.864 1.00 0.00 H new ATOM 0 HB2 GLN A 13 19.981 0.568 19.234 1.00 0.00 H new ATOM 0 HB3 GLN A 13 21.133 1.834 19.610 1.00 0.00 H new ATOM 0 HG2 GLN A 13 19.420 3.504 18.680 1.00 0.00 H new ATOM 0 HG3 GLN A 13 18.276 2.177 18.639 1.00 0.00 H new ATOM 0 HE21 GLN A 13 17.174 3.758 20.248 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.607 3.593 21.953 1.00 0.00 H new ATOM 173 N ALA A 14 21.976 3.632 17.694 1.00 0.00 N ATOM 174 CA ALA A 14 22.420 4.947 17.242 1.00 0.00 C ATOM 175 C ALA A 14 23.687 4.809 16.411 1.00 0.00 C ATOM 176 O ALA A 14 23.972 5.634 15.546 1.00 0.00 O ATOM 177 CB ALA A 14 22.678 5.845 18.451 1.00 0.00 C ATOM 0 H ALA A 14 22.218 3.427 18.663 1.00 0.00 H new ATOM 0 HA ALA A 14 21.643 5.397 16.624 1.00 0.00 H new ATOM 0 HB1 ALA A 14 23.009 6.826 18.111 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.759 5.952 19.028 1.00 0.00 H new ATOM 0 HB3 ALA A 14 23.450 5.398 19.078 1.00 0.00 H new ATOM 183 N LEU A 15 24.446 3.735 16.646 1.00 0.00 N ATOM 184 CA LEU A 15 25.677 3.464 15.928 1.00 0.00 C ATOM 185 C LEU A 15 25.400 3.376 14.426 1.00 0.00 C ATOM 186 O LEU A 15 26.258 3.792 13.657 1.00 0.00 O ATOM 187 CB LEU A 15 26.343 2.183 16.448 1.00 0.00 C ATOM 188 CG LEU A 15 26.712 2.181 17.946 1.00 0.00 C ATOM 189 CD1 LEU A 15 27.375 0.849 18.315 1.00 0.00 C ATOM 190 CD2 LEU A 15 27.651 3.334 18.323 1.00 0.00 C ATOM 0 H LEU A 15 24.215 3.030 17.346 1.00 0.00 H new ATOM 0 HA LEU A 15 26.371 4.286 16.100 1.00 0.00 H new ATOM 0 HB2 LEU A 15 25.674 1.344 16.256 1.00 0.00 H new ATOM 0 HB3 LEU A 15 27.250 2.006 15.869 1.00 0.00 H new ATOM 0 HG LEU A 15 25.785 2.315 18.504 1.00 0.00 H new ATOM 0 HD11 LEU A 15 27.634 0.852 19.374 1.00 0.00 H new ATOM 0 HD12 LEU A 15 26.684 0.030 18.113 1.00 0.00 H new ATOM 0 HD13 LEU A 15 28.279 0.716 17.721 1.00 0.00 H new ATOM 0 HD21 LEU A 15 27.878 3.285 19.388 1.00 0.00 H new ATOM 0 HD22 LEU A 15 28.575 3.253 17.751 1.00 0.00 H new ATOM 0 HD23 LEU A 15 27.168 4.285 18.099 1.00 0.00 H new ATOM 202 N LEU A 16 24.232 2.867 13.998 1.00 0.00 N ATOM 203 CA LEU A 16 23.884 2.764 12.578 1.00 0.00 C ATOM 204 C LEU A 16 23.768 4.152 11.957 1.00 0.00 C ATOM 205 O LEU A 16 24.156 4.336 10.806 1.00 0.00 O ATOM 206 CB LEU A 16 22.560 2.008 12.367 1.00 0.00 C ATOM 207 CG LEU A 16 22.644 0.490 12.586 1.00 0.00 C ATOM 208 CD1 LEU A 16 21.247 -0.123 12.504 1.00 0.00 C ATOM 209 CD2 LEU A 16 23.564 -0.208 11.578 1.00 0.00 C ATOM 0 H LEU A 16 23.508 2.518 14.627 1.00 0.00 H new ATOM 0 HA LEU A 16 24.683 2.204 12.092 1.00 0.00 H new ATOM 0 HB2 LEU A 16 21.812 2.418 13.045 1.00 0.00 H new ATOM 0 HB3 LEU A 16 22.208 2.196 11.353 1.00 0.00 H new ATOM 0 HG LEU A 16 23.072 0.337 13.577 1.00 0.00 H new ATOM 0 HD11 LEU A 16 21.312 -1.200 12.660 1.00 0.00 H new ATOM 0 HD12 LEU A 16 20.611 0.317 13.272 1.00 0.00 H new ATOM 0 HD13 LEU A 16 20.820 0.076 11.521 1.00 0.00 H new ATOM 0 HD21 LEU A 16 23.583 -1.278 11.783 1.00 0.00 H new ATOM 0 HD22 LEU A 16 23.192 -0.039 10.568 1.00 0.00 H new ATOM 0 HD23 LEU A 16 24.573 0.196 11.665 1.00 0.00 H new ATOM 221 N GLU A 17 23.252 5.133 12.699 1.00 0.00 N ATOM 222 CA GLU A 17 23.109 6.501 12.212 1.00 0.00 C ATOM 223 C GLU A 17 24.516 7.058 11.963 1.00 0.00 C ATOM 224 O GLU A 17 24.792 7.724 10.966 1.00 0.00 O ATOM 225 CB GLU A 17 22.376 7.378 13.248 1.00 0.00 C ATOM 226 CG GLU A 17 21.070 6.772 13.785 1.00 0.00 C ATOM 227 CD GLU A 17 20.387 7.690 14.794 1.00 0.00 C ATOM 228 OE1 GLU A 17 20.980 7.953 15.869 1.00 0.00 O ATOM 229 OE2 GLU A 17 19.241 8.130 14.543 1.00 0.00 O ATOM 0 H GLU A 17 22.922 4.999 13.655 1.00 0.00 H new ATOM 0 HA GLU A 17 22.521 6.507 11.294 1.00 0.00 H new ATOM 0 HB2 GLU A 17 23.047 7.565 14.087 1.00 0.00 H new ATOM 0 HB3 GLU A 17 22.154 8.344 12.795 1.00 0.00 H new ATOM 0 HG2 GLU A 17 20.392 6.578 12.954 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.282 5.811 14.254 1.00 0.00 H new ATOM 236 N ARG A 18 25.436 6.734 12.877 1.00 0.00 N ATOM 237 CA ARG A 18 26.834 7.153 12.852 1.00 0.00 C ATOM 238 C ARG A 18 27.604 6.487 11.706 1.00 0.00 C ATOM 239 O ARG A 18 28.764 6.846 11.475 1.00 0.00 O ATOM 240 CB ARG A 18 27.463 6.933 14.241 1.00 0.00 C ATOM 241 CG ARG A 18 26.682 7.701 15.327 1.00 0.00 C ATOM 242 CD ARG A 18 27.074 7.323 16.763 1.00 0.00 C ATOM 243 NE ARG A 18 27.914 8.351 17.406 1.00 0.00 N ATOM 244 CZ ARG A 18 27.509 9.593 17.718 1.00 0.00 C ATOM 245 NH1 ARG A 18 26.245 9.974 17.565 1.00 0.00 N ATOM 246 NH2 ARG A 18 28.386 10.494 18.149 1.00 0.00 N ATOM 0 H ARG A 18 25.215 6.150 13.684 1.00 0.00 H new ATOM 0 HA ARG A 18 26.892 8.221 12.641 1.00 0.00 H new ATOM 0 HB2 ARG A 18 27.470 5.869 14.477 1.00 0.00 H new ATOM 0 HB3 ARG A 18 28.501 7.265 14.231 1.00 0.00 H new ATOM 0 HG2 ARG A 18 26.842 8.770 15.187 1.00 0.00 H new ATOM 0 HG3 ARG A 18 25.616 7.517 15.192 1.00 0.00 H new ATOM 0 HD2 ARG A 18 26.171 7.173 17.355 1.00 0.00 H new ATOM 0 HD3 ARG A 18 27.610 6.374 16.752 1.00 0.00 H new ATOM 0 HE ARG A 18 28.876 8.099 17.631 1.00 0.00 H new ATOM 0 HH11 ARG A 18 25.555 9.317 17.202 1.00 0.00 H new ATOM 0 HH12 ARG A 18 25.965 10.924 17.810 1.00 0.00 H new ATOM 0 HH21 ARG A 18 29.370 10.243 18.244 1.00 0.00 H new ATOM 0 HH22 ARG A 18 28.075 11.436 18.385 1.00 0.00 H new ATOM 260 N ILE A 19 27.037 5.494 11.013 1.00 0.00 N ATOM 261 CA ILE A 19 27.691 4.849 9.875 1.00 0.00 C ATOM 262 C ILE A 19 27.473 5.739 8.639 1.00 0.00 C ATOM 263 O ILE A 19 28.258 5.617 7.712 1.00 0.00 O ATOM 264 CB ILE A 19 27.238 3.374 9.675 1.00 0.00 C ATOM 265 CG1 ILE A 19 27.752 2.518 10.854 1.00 0.00 C ATOM 266 CG2 ILE A 19 27.774 2.742 8.374 1.00 0.00 C ATOM 267 CD1 ILE A 19 27.210 1.086 10.867 1.00 0.00 C ATOM 0 H ILE A 19 26.114 5.117 11.226 1.00 0.00 H new ATOM 0 HA ILE A 19 28.761 4.762 10.062 1.00 0.00 H new ATOM 0 HB ILE A 19 26.149 3.392 9.621 1.00 0.00 H new ATOM 0 HG12 ILE A 19 28.841 2.483 10.817 1.00 0.00 H new ATOM 0 HG13 ILE A 19 27.481 3.007 11.790 1.00 0.00 H new ATOM 0 HG21 ILE A 19 27.421 1.714 8.297 1.00 0.00 H new ATOM 0 HG22 ILE A 19 27.417 3.314 7.518 1.00 0.00 H new ATOM 0 HG23 ILE A 19 28.864 2.751 8.387 1.00 0.00 H new ATOM 0 HD11 ILE A 19 27.617 0.551 11.725 1.00 0.00 H new ATOM 0 HD12 ILE A 19 26.122 1.109 10.937 1.00 0.00 H new ATOM 0 HD13 ILE A 19 27.504 0.577 9.949 1.00 0.00 H new ATOM 279 N ARG A 20 26.535 6.701 8.612 1.00 0.00 N ATOM 280 CA ARG A 20 26.284 7.575 7.453 1.00 0.00 C ATOM 281 C ARG A 20 27.574 8.130 6.841 1.00 0.00 C ATOM 282 O ARG A 20 27.886 7.891 5.677 1.00 0.00 O ATOM 283 CB ARG A 20 25.353 8.718 7.873 1.00 0.00 C ATOM 284 CG ARG A 20 24.905 9.561 6.667 1.00 0.00 C ATOM 285 CD ARG A 20 24.713 11.015 7.102 1.00 0.00 C ATOM 286 NE ARG A 20 24.148 11.844 6.027 1.00 0.00 N ATOM 287 CZ ARG A 20 22.922 11.784 5.494 1.00 0.00 C ATOM 288 NH1 ARG A 20 22.026 10.912 5.950 1.00 0.00 N ATOM 289 NH2 ARG A 20 22.613 12.623 4.515 1.00 0.00 N ATOM 0 H ARG A 20 25.922 6.896 9.404 1.00 0.00 H new ATOM 0 HA ARG A 20 25.810 6.972 6.679 1.00 0.00 H new ATOM 0 HB2 ARG A 20 24.477 8.308 8.375 1.00 0.00 H new ATOM 0 HB3 ARG A 20 25.864 9.357 8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 20 25.650 9.503 5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.974 9.166 6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 20 24.054 11.049 7.970 1.00 0.00 H new ATOM 0 HD3 ARG A 20 25.672 11.430 7.413 1.00 0.00 H new ATOM 0 HE ARG A 20 24.769 12.554 5.639 1.00 0.00 H new ATOM 0 HH11 ARG A 20 22.271 10.281 6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 20 21.094 10.875 5.536 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.304 13.296 4.183 1.00 0.00 H new ATOM 0 HH22 ARG A 20 21.684 12.595 4.094 1.00 0.00 H new ATOM 303 N ALA A 21 28.356 8.836 7.659 1.00 0.00 N ATOM 304 CA ALA A 21 29.628 9.453 7.293 1.00 0.00 C ATOM 305 C ALA A 21 30.687 8.455 6.809 1.00 0.00 C ATOM 306 O ALA A 21 31.747 8.851 6.335 1.00 0.00 O ATOM 307 CB ALA A 21 30.166 10.135 8.546 1.00 0.00 C ATOM 0 H ALA A 21 28.108 8.999 8.635 1.00 0.00 H new ATOM 0 HA ALA A 21 29.440 10.137 6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 21 31.120 10.612 8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 21 29.455 10.889 8.884 1.00 0.00 H new ATOM 0 HB3 ALA A 21 30.309 9.393 9.331 1.00 0.00 H new ATOM 313 N LYS A 22 30.461 7.167 7.042 1.00 0.00 N ATOM 314 CA LYS A 22 31.340 6.071 6.652 1.00 0.00 C ATOM 315 C LYS A 22 30.815 5.439 5.372 1.00 0.00 C ATOM 316 O LYS A 22 31.595 5.026 4.512 1.00 0.00 O ATOM 317 CB LYS A 22 31.431 5.018 7.759 1.00 0.00 C ATOM 318 CG LYS A 22 31.701 5.657 9.128 1.00 0.00 C ATOM 319 CD LYS A 22 32.121 4.572 10.111 1.00 0.00 C ATOM 320 CE LYS A 22 32.349 5.142 11.517 1.00 0.00 C ATOM 321 NZ LYS A 22 31.081 5.489 12.202 1.00 0.00 N ATOM 0 H LYS A 22 29.625 6.845 7.529 1.00 0.00 H new ATOM 0 HA LYS A 22 32.341 6.467 6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 22 30.501 4.451 7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 22 32.226 4.311 7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 22 32.484 6.411 9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 22 30.807 6.165 9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 22 31.353 3.799 10.151 1.00 0.00 H new ATOM 0 HD3 LYS A 22 33.035 4.095 9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 22 32.894 4.413 12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 22 32.976 6.031 11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.291 5.992 13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 30.508 6.099 11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 30.552 4.619 12.416 1.00 0.00 H new ATOM 335 N GLU A 23 29.494 5.341 5.233 1.00 0.00 N ATOM 336 CA GLU A 23 28.920 4.730 4.044 1.00 0.00 C ATOM 337 C GLU A 23 29.107 5.611 2.811 1.00 0.00 C ATOM 338 O GLU A 23 29.229 5.074 1.717 1.00 0.00 O ATOM 339 CB GLU A 23 27.518 4.151 4.242 1.00 0.00 C ATOM 340 CG GLU A 23 26.352 5.132 4.273 1.00 0.00 C ATOM 341 CD GLU A 23 25.041 4.385 4.029 1.00 0.00 C ATOM 342 OE1 GLU A 23 24.780 4.005 2.866 1.00 0.00 O ATOM 343 OE2 GLU A 23 24.260 4.199 4.992 1.00 0.00 O ATOM 0 H GLU A 23 28.814 5.672 5.918 1.00 0.00 H new ATOM 0 HA GLU A 23 29.501 3.830 3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 23 27.334 3.434 3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 23 27.513 3.593 5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 23 26.318 5.640 5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 23 26.491 5.900 3.512 1.00 0.00 H new ATOM 350 N VAL A 24 29.287 6.925 2.980 1.00 0.00 N ATOM 351 CA VAL A 24 29.509 7.858 1.871 1.00 0.00 C ATOM 352 C VAL A 24 30.744 7.453 1.046 1.00 0.00 C ATOM 353 O VAL A 24 30.839 7.733 -0.148 1.00 0.00 O ATOM 354 CB VAL A 24 29.572 9.298 2.434 1.00 0.00 C ATOM 355 CG1 VAL A 24 30.846 9.549 3.255 1.00 0.00 C ATOM 356 CG2 VAL A 24 29.459 10.380 1.353 1.00 0.00 C ATOM 0 H VAL A 24 29.283 7.374 3.896 1.00 0.00 H new ATOM 0 HA VAL A 24 28.677 7.821 1.168 1.00 0.00 H new ATOM 0 HB VAL A 24 28.701 9.373 3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 24 30.843 10.573 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 24 30.879 8.857 4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 24 31.722 9.395 2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 24 29.510 11.365 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 24 30.278 10.271 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 24 28.508 10.274 0.831 1.00 0.00 H new ATOM 366 N GLN A 25 31.695 6.766 1.678 1.00 0.00 N ATOM 367 CA GLN A 25 32.939 6.294 1.090 1.00 0.00 C ATOM 368 C GLN A 25 32.739 5.036 0.235 1.00 0.00 C ATOM 369 O GLN A 25 33.661 4.620 -0.458 1.00 0.00 O ATOM 370 CB GLN A 25 33.907 5.933 2.229 1.00 0.00 C ATOM 371 CG GLN A 25 33.996 6.954 3.377 1.00 0.00 C ATOM 372 CD GLN A 25 34.849 6.386 4.512 1.00 0.00 C ATOM 373 OE1 GLN A 25 34.515 5.360 5.101 1.00 0.00 O ATOM 374 NE2 GLN A 25 35.972 7.011 4.832 1.00 0.00 N ATOM 0 H GLN A 25 31.610 6.513 2.663 1.00 0.00 H new ATOM 0 HA GLN A 25 33.326 7.088 0.451 1.00 0.00 H new ATOM 0 HB2 GLN A 25 33.607 4.971 2.645 1.00 0.00 H new ATOM 0 HB3 GLN A 25 34.903 5.801 1.807 1.00 0.00 H new ATOM 0 HG2 GLN A 25 34.431 7.885 3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 25 32.997 7.190 3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 25 36.241 7.862 4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 25 36.568 6.642 5.573 1.00 0.00 H new ATOM 383 N LYS A 26 31.588 4.363 0.330 1.00 0.00 N ATOM 384 CA LYS A 26 31.316 3.145 -0.430 1.00 0.00 C ATOM 385 C LYS A 26 30.983 3.425 -1.892 1.00 0.00 C ATOM 386 O LYS A 26 30.915 2.467 -2.655 1.00 0.00 O ATOM 387 CB LYS A 26 30.173 2.340 0.199 1.00 0.00 C ATOM 388 CG LYS A 26 30.307 1.954 1.678 1.00 0.00 C ATOM 389 CD LYS A 26 31.522 1.075 2.006 1.00 0.00 C ATOM 390 CE LYS A 26 32.746 1.894 2.439 1.00 0.00 C ATOM 391 NZ LYS A 26 32.564 2.554 3.757 1.00 0.00 N ATOM 0 H LYS A 26 30.820 4.650 0.937 1.00 0.00 H new ATOM 0 HA LYS A 26 32.237 2.563 -0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 26 29.254 2.915 0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 26 30.050 1.423 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 26 30.364 2.865 2.273 1.00 0.00 H new ATOM 0 HG3 LYS A 26 29.403 1.429 1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 26 31.257 0.378 2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 26 31.780 0.478 1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 26 33.617 1.240 2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 26 32.955 2.652 1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 33.486 2.645 4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 32.151 3.498 3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 31.928 1.981 4.347 1.00 0.00 H new ATOM 405 N GLN A 27 30.824 4.688 -2.291 1.00 0.00 N ATOM 406 CA GLN A 27 30.491 5.084 -3.655 1.00 0.00 C ATOM 407 C GLN A 27 31.403 4.426 -4.699 1.00 0.00 C ATOM 408 O GLN A 27 30.904 3.879 -5.683 1.00 0.00 O ATOM 409 CB GLN A 27 30.456 6.619 -3.752 1.00 0.00 C ATOM 410 CG GLN A 27 31.764 7.351 -3.405 1.00 0.00 C ATOM 411 CD GLN A 27 31.559 8.864 -3.404 1.00 0.00 C ATOM 412 OE1 GLN A 27 31.425 9.494 -4.442 1.00 0.00 O ATOM 413 NE2 GLN A 27 31.478 9.489 -2.242 1.00 0.00 N ATOM 0 H GLN A 27 30.926 5.481 -1.657 1.00 0.00 H new ATOM 0 HA GLN A 27 29.494 4.713 -3.894 1.00 0.00 H new ATOM 0 HB2 GLN A 27 30.170 6.892 -4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 27 29.672 6.986 -3.090 1.00 0.00 H new ATOM 0 HG2 GLN A 27 32.118 7.027 -2.426 1.00 0.00 H new ATOM 0 HG3 GLN A 27 32.536 7.085 -4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 27 31.589 8.967 -1.373 1.00 0.00 H new ATOM 0 HE22 GLN A 27 31.304 10.494 -2.214 1.00 0.00 H new ATOM 422 N LEU A 28 32.718 4.406 -4.457 1.00 0.00 N ATOM 423 CA LEU A 28 33.713 3.819 -5.346 1.00 0.00 C ATOM 424 C LEU A 28 33.662 2.284 -5.365 1.00 0.00 C ATOM 425 O LEU A 28 34.280 1.654 -6.218 1.00 0.00 O ATOM 426 CB LEU A 28 35.084 4.327 -4.869 1.00 0.00 C ATOM 427 CG LEU A 28 36.277 4.011 -5.789 1.00 0.00 C ATOM 428 CD1 LEU A 28 36.071 4.578 -7.198 1.00 0.00 C ATOM 429 CD2 LEU A 28 37.533 4.631 -5.166 1.00 0.00 C ATOM 0 H LEU A 28 33.125 4.810 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 28 33.514 4.121 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.025 5.408 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 28 35.286 3.901 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 28 36.376 2.930 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 28 36.934 4.335 -7.818 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.174 4.143 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 28 35.959 5.661 -7.142 1.00 0.00 H new ATOM 0 HD21 LEU A 28 38.395 4.421 -5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 28 37.401 5.709 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.697 4.204 -4.177 1.00 0.00 H new ATOM 441 N ALA A 29 32.997 1.661 -4.391 1.00 0.00 N ATOM 442 CA ALA A 29 32.860 0.219 -4.280 1.00 0.00 C ATOM 443 C ALA A 29 31.570 -0.242 -4.964 1.00 0.00 C ATOM 444 O ALA A 29 30.793 0.551 -5.494 1.00 0.00 O ATOM 445 CB ALA A 29 32.899 -0.186 -2.797 1.00 0.00 C ATOM 0 H ALA A 29 32.528 2.166 -3.639 1.00 0.00 H new ATOM 0 HA ALA A 29 33.690 -0.273 -4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 29 32.796 -1.268 -2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 29 33.848 0.124 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 29 32.080 0.299 -2.266 1.00 0.00 H new ATOM 451 N ARG A 30 31.338 -1.554 -4.926 1.00 0.00 N ATOM 452 CA ARG A 30 30.202 -2.288 -5.485 1.00 0.00 C ATOM 453 C ARG A 30 28.880 -2.035 -4.735 1.00 0.00 C ATOM 454 O ARG A 30 28.166 -2.986 -4.399 1.00 0.00 O ATOM 455 CB ARG A 30 30.585 -3.779 -5.522 1.00 0.00 C ATOM 456 CG ARG A 30 30.876 -4.375 -4.135 1.00 0.00 C ATOM 457 CD ARG A 30 31.042 -5.896 -4.187 1.00 0.00 C ATOM 458 NE ARG A 30 32.356 -6.293 -4.727 1.00 0.00 N ATOM 459 CZ ARG A 30 32.881 -7.521 -4.616 1.00 0.00 C ATOM 460 NH1 ARG A 30 32.169 -8.514 -4.105 1.00 0.00 N ATOM 461 NH2 ARG A 30 34.129 -7.758 -5.010 1.00 0.00 N ATOM 0 H ARG A 30 31.995 -2.184 -4.465 1.00 0.00 H new ATOM 0 HA ARG A 30 30.003 -1.927 -6.494 1.00 0.00 H new ATOM 0 HB2 ARG A 30 29.776 -4.342 -5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 30 31.465 -3.904 -6.154 1.00 0.00 H new ATOM 0 HG2 ARG A 30 31.783 -3.925 -3.730 1.00 0.00 H new ATOM 0 HG3 ARG A 30 30.063 -4.122 -3.454 1.00 0.00 H new ATOM 0 HD2 ARG A 30 30.923 -6.308 -3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 30 30.252 -6.325 -4.804 1.00 0.00 H new ATOM 0 HE ARG A 30 32.902 -5.585 -5.218 1.00 0.00 H new ATOM 0 HH11 ARG A 30 31.213 -8.347 -3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 30 32.577 -9.445 -4.024 1.00 0.00 H new ATOM 0 HH21 ARG A 30 34.693 -7.003 -5.400 1.00 0.00 H new ATOM 0 HH22 ARG A 30 34.522 -8.695 -4.923 1.00 0.00 H new ATOM 475 N MET A 31 28.569 -0.783 -4.395 1.00 0.00 N ATOM 476 CA MET A 31 27.358 -0.424 -3.669 1.00 0.00 C ATOM 477 C MET A 31 26.485 0.427 -4.568 1.00 0.00 C ATOM 478 O MET A 31 26.717 1.618 -4.781 1.00 0.00 O ATOM 479 CB MET A 31 27.663 0.227 -2.324 1.00 0.00 C ATOM 480 CG MET A 31 28.507 -0.702 -1.438 1.00 0.00 C ATOM 481 SD MET A 31 27.710 -2.252 -0.945 1.00 0.00 S ATOM 482 CE MET A 31 27.249 -1.841 0.758 1.00 0.00 C ATOM 0 H MET A 31 29.161 0.017 -4.621 1.00 0.00 H new ATOM 0 HA MET A 31 26.804 -1.327 -3.414 1.00 0.00 H new ATOM 0 HB2 MET A 31 28.195 1.165 -2.483 1.00 0.00 H new ATOM 0 HB3 MET A 31 26.731 0.472 -1.815 1.00 0.00 H new ATOM 0 HG2 MET A 31 29.429 -0.941 -1.968 1.00 0.00 H new ATOM 0 HG3 MET A 31 28.790 -0.157 -0.537 1.00 0.00 H new ATOM 0 HE1 MET A 31 26.743 -2.692 1.214 1.00 0.00 H new ATOM 0 HE2 MET A 31 28.146 -1.603 1.330 1.00 0.00 H new ATOM 0 HE3 MET A 31 26.580 -0.980 0.756 1.00 0.00 H new ATOM 492 N THR A 32 25.465 -0.229 -5.091 1.00 0.00 N ATOM 493 CA THR A 32 24.472 0.310 -6.014 1.00 0.00 C ATOM 494 C THR A 32 23.057 0.247 -5.414 1.00 0.00 C ATOM 495 O THR A 32 22.115 -0.312 -5.978 1.00 0.00 O ATOM 496 CB THR A 32 24.678 -0.364 -7.382 1.00 0.00 C ATOM 497 OG1 THR A 32 23.774 0.108 -8.359 1.00 0.00 O ATOM 498 CG2 THR A 32 24.585 -1.884 -7.253 1.00 0.00 C ATOM 0 H THR A 32 25.294 -1.211 -4.872 1.00 0.00 H new ATOM 0 HA THR A 32 24.605 1.379 -6.182 1.00 0.00 H new ATOM 0 HB THR A 32 25.679 -0.097 -7.720 1.00 0.00 H new ATOM 0 HG1 THR A 32 22.861 0.068 -8.006 1.00 0.00 H new ATOM 0 HG21 THR A 32 24.733 -2.342 -8.231 1.00 0.00 H new ATOM 0 HG22 THR A 32 25.353 -2.239 -6.566 1.00 0.00 H new ATOM 0 HG23 THR A 32 23.602 -2.157 -6.870 1.00 0.00 H new ATOM 506 N ARG A 33 22.905 0.812 -4.216 1.00 0.00 N ATOM 507 CA ARG A 33 21.614 0.879 -3.526 1.00 0.00 C ATOM 508 C ARG A 33 20.689 1.711 -4.401 1.00 0.00 C ATOM 509 O ARG A 33 20.949 2.889 -4.645 1.00 0.00 O ATOM 510 CB ARG A 33 21.729 1.462 -2.112 1.00 0.00 C ATOM 511 CG ARG A 33 21.976 0.358 -1.083 1.00 0.00 C ATOM 512 CD ARG A 33 20.714 -0.473 -0.818 1.00 0.00 C ATOM 513 NE ARG A 33 20.863 -1.383 0.334 1.00 0.00 N ATOM 514 CZ ARG A 33 21.180 -2.686 0.302 1.00 0.00 C ATOM 515 NH1 ARG A 33 21.388 -3.302 -0.861 1.00 0.00 N ATOM 516 NH2 ARG A 33 21.294 -3.370 1.436 1.00 0.00 N ATOM 0 H ARG A 33 23.673 1.236 -3.696 1.00 0.00 H new ATOM 0 HA ARG A 33 21.217 -0.126 -3.384 1.00 0.00 H new ATOM 0 HB2 ARG A 33 22.544 2.185 -2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 33 20.815 2.000 -1.861 1.00 0.00 H new ATOM 0 HG2 ARG A 33 22.773 -0.296 -1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 33 22.320 0.803 -0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 33 19.873 0.197 -0.640 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.474 -1.056 -1.707 1.00 0.00 H new ATOM 0 HE ARG A 33 20.708 -0.976 1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.307 -2.782 -1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 33 21.629 -4.293 -0.877 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.140 -2.904 2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.535 -4.361 1.412 1.00 0.00 H new ATOM 530 N CYS A 34 19.662 1.055 -4.919 1.00 0.00 N ATOM 531 CA CYS A 34 18.646 1.593 -5.803 1.00 0.00 C ATOM 532 C CYS A 34 17.399 0.713 -5.692 1.00 0.00 C ATOM 533 O CYS A 34 16.360 1.209 -5.243 1.00 0.00 O ATOM 534 CB CYS A 34 19.212 1.678 -7.231 1.00 0.00 C ATOM 535 SG CYS A 34 17.895 1.736 -8.472 1.00 0.00 S ATOM 0 H CYS A 34 19.508 0.067 -4.718 1.00 0.00 H new ATOM 0 HA CYS A 34 18.358 2.606 -5.523 1.00 0.00 H new ATOM 0 HB2 CYS A 34 19.837 2.566 -7.322 1.00 0.00 H new ATOM 0 HB3 CYS A 34 19.853 0.817 -7.420 1.00 0.00 H new ATOM 0 HG CYS A 34 18.420 1.809 -9.659 1.00 0.00 H new ATOM 541 N PRO A 35 17.469 -0.596 -6.015 1.00 0.00 N ATOM 542 CA PRO A 35 16.300 -1.449 -5.924 1.00 0.00 C ATOM 543 C PRO A 35 15.803 -1.577 -4.484 1.00 0.00 C ATOM 544 O PRO A 35 14.671 -1.969 -4.306 1.00 0.00 O ATOM 545 CB PRO A 35 16.676 -2.794 -6.546 1.00 0.00 C ATOM 546 CG PRO A 35 18.195 -2.818 -6.435 1.00 0.00 C ATOM 547 CD PRO A 35 18.590 -1.351 -6.558 1.00 0.00 C ATOM 0 HA PRO A 35 15.461 -1.016 -6.469 1.00 0.00 H new ATOM 0 HB2 PRO A 35 16.220 -3.627 -6.010 1.00 0.00 H new ATOM 0 HB3 PRO A 35 16.347 -2.864 -7.583 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.520 -3.242 -5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.645 -3.421 -7.224 1.00 0.00 H new ATOM 0 HD2 PRO A 35 19.506 -1.144 -6.005 1.00 0.00 H new ATOM 0 HD3 PRO A 35 18.777 -1.081 -7.597 1.00 0.00 H new ATOM 555 N GLU A 36 16.565 -1.213 -3.446 1.00 0.00 N ATOM 556 CA GLU A 36 16.070 -1.314 -2.065 1.00 0.00 C ATOM 557 C GLU A 36 14.824 -0.418 -1.856 1.00 0.00 C ATOM 558 O GLU A 36 14.020 -0.594 -0.938 1.00 0.00 O ATOM 559 CB GLU A 36 17.210 -0.942 -1.114 1.00 0.00 C ATOM 560 CG GLU A 36 16.885 -1.200 0.368 1.00 0.00 C ATOM 561 CD GLU A 36 17.935 -0.582 1.282 1.00 0.00 C ATOM 562 OE1 GLU A 36 18.262 0.604 1.078 1.00 0.00 O ATOM 563 OE2 GLU A 36 18.421 -1.253 2.219 1.00 0.00 O ATOM 0 H GLU A 36 17.514 -0.850 -3.532 1.00 0.00 H new ATOM 0 HA GLU A 36 15.752 -2.335 -1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 36 18.099 -1.510 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.453 0.112 -1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.905 -0.786 0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.829 -2.274 0.549 1.00 0.00 H new ATOM 570 N GLN A 37 14.649 0.591 -2.718 1.00 0.00 N ATOM 571 CA GLN A 37 13.509 1.491 -2.657 1.00 0.00 C ATOM 572 C GLN A 37 12.243 0.790 -3.176 1.00 0.00 C ATOM 573 O GLN A 37 11.157 1.321 -2.958 1.00 0.00 O ATOM 574 CB GLN A 37 13.848 2.810 -3.365 1.00 0.00 C ATOM 575 CG GLN A 37 14.839 3.589 -2.482 1.00 0.00 C ATOM 576 CD GLN A 37 15.554 4.710 -3.222 1.00 0.00 C ATOM 577 OE1 GLN A 37 16.667 4.535 -3.718 1.00 0.00 O ATOM 578 NE2 GLN A 37 14.976 5.894 -3.284 1.00 0.00 N ATOM 0 H GLN A 37 15.299 0.800 -3.476 1.00 0.00 H new ATOM 0 HA GLN A 37 13.286 1.756 -1.624 1.00 0.00 H new ATOM 0 HB2 GLN A 37 14.284 2.614 -4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.944 3.396 -3.530 1.00 0.00 H new ATOM 0 HG2 GLN A 37 14.303 4.009 -1.631 1.00 0.00 H new ATOM 0 HG3 GLN A 37 15.580 2.897 -2.082 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.054 6.033 -2.871 1.00 0.00 H new ATOM 0 HE22 GLN A 37 15.451 6.670 -3.745 1.00 0.00 H new ATOM 587 N GLU A 38 12.360 -0.392 -3.801 1.00 0.00 N ATOM 588 CA GLU A 38 11.260 -1.202 -4.336 1.00 0.00 C ATOM 589 C GLU A 38 10.196 -1.428 -3.265 1.00 0.00 C ATOM 590 O GLU A 38 9.014 -1.406 -3.554 1.00 0.00 O ATOM 591 CB GLU A 38 11.787 -2.560 -4.861 1.00 0.00 C ATOM 592 CG GLU A 38 12.288 -3.507 -3.738 1.00 0.00 C ATOM 593 CD GLU A 38 13.358 -4.526 -4.156 1.00 0.00 C ATOM 594 OE1 GLU A 38 13.461 -4.907 -5.343 1.00 0.00 O ATOM 595 OE2 GLU A 38 14.092 -5.026 -3.262 1.00 0.00 O ATOM 0 H GLU A 38 13.269 -0.828 -3.953 1.00 0.00 H new ATOM 0 HA GLU A 38 10.810 -0.661 -5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.993 -3.058 -5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.602 -2.378 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.688 -2.899 -2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.432 -4.050 -3.337 1.00 0.00 H new ATOM 602 N LEU A 39 10.592 -1.591 -2.002 1.00 0.00 N ATOM 603 CA LEU A 39 9.676 -1.820 -0.895 1.00 0.00 C ATOM 604 C LEU A 39 8.754 -0.618 -0.672 1.00 0.00 C ATOM 605 O LEU A 39 7.577 -0.783 -0.352 1.00 0.00 O ATOM 606 CB LEU A 39 10.508 -2.072 0.376 1.00 0.00 C ATOM 607 CG LEU A 39 11.249 -3.423 0.393 1.00 0.00 C ATOM 608 CD1 LEU A 39 12.376 -3.375 1.430 1.00 0.00 C ATOM 609 CD2 LEU A 39 10.292 -4.575 0.718 1.00 0.00 C ATOM 0 H LEU A 39 11.572 -1.567 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 39 9.049 -2.681 -1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.238 -1.270 0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.849 -2.022 1.243 1.00 0.00 H new ATOM 0 HG LEU A 39 11.667 -3.600 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.900 -4.331 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 39 13.076 -2.581 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 39 11.955 -3.180 2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.843 -5.515 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.845 -4.411 1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.506 -4.619 -0.036 1.00 0.00 H new ATOM 621 N ARG A 40 9.297 0.594 -0.791 1.00 0.00 N ATOM 622 CA ARG A 40 8.588 1.852 -0.581 1.00 0.00 C ATOM 623 C ARG A 40 7.709 2.170 -1.797 1.00 0.00 C ATOM 624 O ARG A 40 6.545 2.559 -1.673 1.00 0.00 O ATOM 625 CB ARG A 40 9.626 2.952 -0.286 1.00 0.00 C ATOM 626 CG ARG A 40 10.318 2.852 1.096 1.00 0.00 C ATOM 627 CD ARG A 40 11.171 1.584 1.316 1.00 0.00 C ATOM 628 NE ARG A 40 12.017 1.670 2.520 1.00 0.00 N ATOM 629 CZ ARG A 40 13.358 1.648 2.581 1.00 0.00 C ATOM 630 NH1 ARG A 40 14.115 1.333 1.529 1.00 0.00 N ATOM 631 NH2 ARG A 40 13.963 1.953 3.720 1.00 0.00 N ATOM 0 H ARG A 40 10.276 0.729 -1.045 1.00 0.00 H new ATOM 0 HA ARG A 40 7.915 1.784 0.274 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.392 2.924 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.134 3.922 -0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.955 3.726 1.229 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.553 2.894 1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.513 0.719 1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.803 1.420 0.443 1.00 0.00 H new ATOM 0 HE ARG A 40 11.527 1.756 3.410 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.678 1.098 0.638 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.131 1.328 1.615 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.410 2.202 4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.981 1.939 3.776 1.00 0.00 H new ATOM 645 N LEU A 41 8.267 1.952 -2.983 1.00 0.00 N ATOM 646 CA LEU A 41 7.576 2.187 -4.237 1.00 0.00 C ATOM 647 C LEU A 41 6.418 1.196 -4.342 1.00 0.00 C ATOM 648 O LEU A 41 5.277 1.604 -4.525 1.00 0.00 O ATOM 649 CB LEU A 41 8.578 2.063 -5.394 1.00 0.00 C ATOM 650 CG LEU A 41 9.657 3.165 -5.367 1.00 0.00 C ATOM 651 CD1 LEU A 41 10.815 2.795 -6.297 1.00 0.00 C ATOM 652 CD2 LEU A 41 9.090 4.535 -5.754 1.00 0.00 C ATOM 0 H LEU A 41 9.219 1.605 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 41 7.158 3.192 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.060 1.087 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.041 2.109 -6.341 1.00 0.00 H new ATOM 0 HG LEU A 41 10.022 3.237 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.570 3.581 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.258 1.854 -5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.443 2.686 -7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.885 5.280 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.679 4.487 -6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.302 4.814 -5.054 1.00 0.00 H new ATOM 664 N GLN A 42 6.679 -0.096 -4.128 1.00 0.00 N ATOM 665 CA GLN A 42 5.667 -1.129 -4.200 1.00 0.00 C ATOM 666 C GLN A 42 4.542 -0.860 -3.206 1.00 0.00 C ATOM 667 O GLN A 42 3.389 -1.011 -3.609 1.00 0.00 O ATOM 668 CB GLN A 42 6.266 -2.532 -4.036 1.00 0.00 C ATOM 669 CG GLN A 42 5.254 -3.680 -4.189 1.00 0.00 C ATOM 670 CD GLN A 42 4.587 -3.786 -5.569 1.00 0.00 C ATOM 671 OE1 GLN A 42 4.825 -4.733 -6.314 1.00 0.00 O ATOM 672 NE2 GLN A 42 3.656 -2.907 -5.907 1.00 0.00 N ATOM 0 H GLN A 42 7.609 -0.448 -3.899 1.00 0.00 H new ATOM 0 HA GLN A 42 5.232 -1.099 -5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.059 -2.663 -4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.730 -2.602 -3.052 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.761 -4.621 -3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.476 -3.559 -3.436 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.453 -2.118 -5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.142 -3.019 -6.781 1.00 0.00 H new ATOM 681 N ARG A 43 4.814 -0.468 -1.948 1.00 0.00 N ATOM 682 CA ARG A 43 3.712 -0.204 -1.013 1.00 0.00 C ATOM 683 C ARG A 43 2.802 0.892 -1.563 1.00 0.00 C ATOM 684 O ARG A 43 1.588 0.680 -1.587 1.00 0.00 O ATOM 685 CB ARG A 43 4.154 0.060 0.444 1.00 0.00 C ATOM 686 CG ARG A 43 5.068 1.277 0.639 1.00 0.00 C ATOM 687 CD ARG A 43 5.602 1.498 2.057 1.00 0.00 C ATOM 688 NE ARG A 43 4.523 1.462 3.040 1.00 0.00 N ATOM 689 CZ ARG A 43 3.715 2.443 3.442 1.00 0.00 C ATOM 690 NH1 ARG A 43 3.919 3.724 3.149 1.00 0.00 N ATOM 691 NH2 ARG A 43 2.663 2.082 4.153 1.00 0.00 N ATOM 0 H ARG A 43 5.751 -0.332 -1.568 1.00 0.00 H new ATOM 0 HA ARG A 43 3.138 -1.128 -0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.264 0.192 1.059 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.670 -0.825 0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.918 1.179 -0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.521 2.169 0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.339 0.731 2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.114 2.459 2.110 1.00 0.00 H new ATOM 0 HE ARG A 43 4.365 0.557 3.482 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.727 3.997 2.590 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.267 4.434 3.483 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.505 1.097 4.366 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.008 2.788 4.489 1.00 0.00 H new ATOM 705 N LEU A 44 3.338 2.031 -2.027 1.00 0.00 N ATOM 706 CA LEU A 44 2.451 3.072 -2.560 1.00 0.00 C ATOM 707 C LEU A 44 1.810 2.661 -3.897 1.00 0.00 C ATOM 708 O LEU A 44 0.786 3.223 -4.278 1.00 0.00 O ATOM 709 CB LEU A 44 3.109 4.469 -2.557 1.00 0.00 C ATOM 710 CG LEU A 44 4.303 4.706 -3.503 1.00 0.00 C ATOM 711 CD1 LEU A 44 3.886 5.023 -4.942 1.00 0.00 C ATOM 712 CD2 LEU A 44 5.133 5.890 -2.996 1.00 0.00 C ATOM 0 H LEU A 44 4.334 2.249 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 44 1.612 3.170 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.339 5.202 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.441 4.680 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 44 4.872 3.776 -3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.775 5.178 -5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.310 4.191 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.276 5.926 -4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.977 6.056 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.511 6.785 -2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.503 5.673 -1.994 1.00 0.00 H new ATOM 724 N GLU A 45 2.354 1.665 -4.600 1.00 0.00 N ATOM 725 CA GLU A 45 1.866 1.155 -5.880 1.00 0.00 C ATOM 726 C GLU A 45 0.882 -0.014 -5.708 1.00 0.00 C ATOM 727 O GLU A 45 0.279 -0.439 -6.691 1.00 0.00 O ATOM 728 CB GLU A 45 3.056 0.694 -6.741 1.00 0.00 C ATOM 729 CG GLU A 45 3.788 1.852 -7.429 1.00 0.00 C ATOM 730 CD GLU A 45 5.030 1.394 -8.196 1.00 0.00 C ATOM 731 OE1 GLU A 45 4.908 0.643 -9.196 1.00 0.00 O ATOM 732 OE2 GLU A 45 6.147 1.863 -7.888 1.00 0.00 O ATOM 0 H GLU A 45 3.185 1.170 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 45 1.332 1.969 -6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.761 0.149 -6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.699 -0.003 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.105 2.351 -8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.080 2.588 -6.680 1.00 0.00 H new ATOM 739 N ARG A 46 0.669 -0.554 -4.498 1.00 0.00 N ATOM 740 CA ARG A 46 -0.267 -1.672 -4.297 1.00 0.00 C ATOM 741 C ARG A 46 -1.727 -1.217 -4.256 1.00 0.00 C ATOM 742 O ARG A 46 -2.610 -2.066 -4.198 1.00 0.00 O ATOM 743 CB ARG A 46 0.119 -2.541 -3.081 1.00 0.00 C ATOM 744 CG ARG A 46 1.168 -3.597 -3.477 1.00 0.00 C ATOM 745 CD ARG A 46 1.526 -4.564 -2.343 1.00 0.00 C ATOM 746 NE ARG A 46 0.433 -5.505 -2.050 1.00 0.00 N ATOM 747 CZ ARG A 46 0.236 -6.718 -2.584 1.00 0.00 C ATOM 748 NH1 ARG A 46 1.046 -7.218 -3.507 1.00 0.00 N ATOM 749 NH2 ARG A 46 -0.799 -7.443 -2.185 1.00 0.00 N ATOM 0 H ARG A 46 1.131 -0.236 -3.646 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.178 -2.312 -5.175 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.515 -1.908 -2.287 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.768 -3.034 -2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.793 -4.169 -4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.074 -3.090 -3.810 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.422 -5.123 -2.613 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.764 -3.995 -1.444 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.254 -5.198 -1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.847 -6.676 -3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.868 -8.145 -3.894 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.436 -7.076 -1.478 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.958 -8.368 -2.585 1.00 0.00 H new ATOM 763 N LEU A 47 -2.032 0.077 -4.363 1.00 0.00 N ATOM 764 CA LEU A 47 -3.403 0.596 -4.351 1.00 0.00 C ATOM 765 C LEU A 47 -4.318 -0.156 -5.344 1.00 0.00 C ATOM 766 O LEU A 47 -5.338 -0.705 -4.914 1.00 0.00 O ATOM 767 CB LEU A 47 -3.415 2.119 -4.579 1.00 0.00 C ATOM 768 CG LEU A 47 -2.600 2.929 -3.554 1.00 0.00 C ATOM 769 CD1 LEU A 47 -2.593 4.413 -3.936 1.00 0.00 C ATOM 770 CD2 LEU A 47 -3.152 2.778 -2.138 1.00 0.00 C ATOM 0 H LEU A 47 -1.325 0.805 -4.462 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.819 0.412 -3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.028 2.326 -5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.448 2.468 -4.559 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.584 2.535 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.013 4.975 -3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.145 4.533 -4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.616 4.789 -3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.547 3.366 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.183 3.132 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.120 1.729 -1.845 1.00 0.00 H new ATOM 782 N PRO A 48 -3.996 -0.258 -6.654 1.00 0.00 N ATOM 783 CA PRO A 48 -4.839 -0.983 -7.601 1.00 0.00 C ATOM 784 C PRO A 48 -4.864 -2.492 -7.321 1.00 0.00 C ATOM 785 O PRO A 48 -5.769 -3.173 -7.803 1.00 0.00 O ATOM 786 CB PRO A 48 -4.245 -0.707 -8.987 1.00 0.00 C ATOM 787 CG PRO A 48 -2.773 -0.447 -8.684 1.00 0.00 C ATOM 788 CD PRO A 48 -2.860 0.315 -7.366 1.00 0.00 C ATOM 0 HA PRO A 48 -5.873 -0.649 -7.521 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.375 -1.556 -9.658 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -4.717 0.152 -9.464 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.206 -1.372 -8.585 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.291 0.140 -9.466 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.941 0.206 -6.790 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.004 1.382 -7.539 1.00 0.00 H new ATOM 796 N GLU A 49 -3.842 -3.039 -6.657 1.00 0.00 N ATOM 797 CA GLU A 49 -3.721 -4.451 -6.295 1.00 0.00 C ATOM 798 C GLU A 49 -4.764 -4.731 -5.201 1.00 0.00 C ATOM 799 O GLU A 49 -5.521 -5.693 -5.306 1.00 0.00 O ATOM 800 CB GLU A 49 -2.270 -4.725 -5.835 1.00 0.00 C ATOM 801 CG GLU A 49 -1.825 -6.191 -5.840 1.00 0.00 C ATOM 802 CD GLU A 49 -1.457 -6.729 -7.224 1.00 0.00 C ATOM 803 OE1 GLU A 49 -0.395 -6.360 -7.779 1.00 0.00 O ATOM 804 OE2 GLU A 49 -2.208 -7.569 -7.764 1.00 0.00 O ATOM 0 H GLU A 49 -3.044 -2.486 -6.345 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.916 -5.119 -7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.594 -4.160 -6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.151 -4.334 -4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.965 -6.300 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.625 -6.804 -5.425 1.00 0.00 H new ATOM 811 N LEU A 50 -4.855 -3.849 -4.194 1.00 0.00 N ATOM 812 CA LEU A 50 -5.797 -3.943 -3.080 1.00 0.00 C ATOM 813 C LEU A 50 -7.224 -3.980 -3.615 1.00 0.00 C ATOM 814 O LEU A 50 -7.939 -4.952 -3.369 1.00 0.00 O ATOM 815 CB LEU A 50 -5.633 -2.761 -2.095 1.00 0.00 C ATOM 816 CG LEU A 50 -4.900 -3.080 -0.781 1.00 0.00 C ATOM 817 CD1 LEU A 50 -5.635 -4.131 0.067 1.00 0.00 C ATOM 818 CD2 LEU A 50 -3.454 -3.513 -1.026 1.00 0.00 C ATOM 0 H LEU A 50 -4.254 -3.027 -4.135 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.585 -4.863 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.095 -1.961 -2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.623 -2.375 -1.852 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.889 -2.149 -0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.073 -4.318 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.630 -3.764 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.724 -5.058 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.972 -3.729 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.443 -4.407 -1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.915 -2.712 -1.532 1.00 0.00 H new ATOM 830 N ALA A 51 -7.619 -2.962 -4.392 1.00 0.00 N ATOM 831 CA ALA A 51 -8.963 -2.873 -4.961 1.00 0.00 C ATOM 832 C ALA A 51 -9.333 -4.141 -5.742 1.00 0.00 C ATOM 833 O ALA A 51 -10.446 -4.655 -5.587 1.00 0.00 O ATOM 834 CB ALA A 51 -9.065 -1.615 -5.823 1.00 0.00 C ATOM 0 H ALA A 51 -7.014 -2.180 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.688 -2.797 -4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.066 -1.546 -6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.871 -0.736 -5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.331 -1.665 -6.628 1.00 0.00 H new ATOM 840 N ARG A 52 -8.407 -4.652 -6.568 1.00 0.00 N ATOM 841 CA ARG A 52 -8.616 -5.868 -7.353 1.00 0.00 C ATOM 842 C ARG A 52 -8.953 -7.026 -6.420 1.00 0.00 C ATOM 843 O ARG A 52 -10.014 -7.631 -6.575 1.00 0.00 O ATOM 844 CB ARG A 52 -7.362 -6.256 -8.174 1.00 0.00 C ATOM 845 CG ARG A 52 -7.320 -5.675 -9.588 1.00 0.00 C ATOM 846 CD ARG A 52 -6.017 -5.958 -10.332 1.00 0.00 C ATOM 847 NE ARG A 52 -4.932 -5.099 -9.837 1.00 0.00 N ATOM 848 CZ ARG A 52 -3.626 -5.288 -10.036 1.00 0.00 C ATOM 849 NH1 ARG A 52 -3.190 -6.389 -10.638 1.00 0.00 N ATOM 850 NH2 ARG A 52 -2.768 -4.357 -9.632 1.00 0.00 N ATOM 0 H ARG A 52 -7.490 -4.228 -6.707 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.434 -5.668 -8.045 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.474 -5.927 -7.634 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.310 -7.343 -8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.152 -6.082 -10.163 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.469 -4.597 -9.532 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.743 -7.005 -10.207 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.160 -5.791 -11.400 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.203 -4.282 -9.290 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.855 -7.096 -10.951 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.190 -6.527 -10.787 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.110 -3.511 -9.176 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.767 -4.488 -9.778 1.00 0.00 H new ATOM 864 N VAL A 53 -8.061 -7.332 -5.476 1.00 0.00 N ATOM 865 CA VAL A 53 -8.232 -8.425 -4.528 1.00 0.00 C ATOM 866 C VAL A 53 -9.502 -8.258 -3.704 1.00 0.00 C ATOM 867 O VAL A 53 -10.235 -9.230 -3.549 1.00 0.00 O ATOM 868 CB VAL A 53 -6.974 -8.585 -3.656 1.00 0.00 C ATOM 869 CG1 VAL A 53 -7.160 -9.677 -2.592 1.00 0.00 C ATOM 870 CG2 VAL A 53 -5.774 -8.978 -4.527 1.00 0.00 C ATOM 0 H VAL A 53 -7.189 -6.818 -5.350 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.356 -9.352 -5.088 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.801 -7.627 -3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.252 -9.762 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.997 -9.415 -1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.364 -10.630 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.890 -9.088 -3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.983 -9.923 -5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.596 -8.203 -5.272 1.00 0.00 H new ATOM 880 N LEU A 54 -9.812 -7.059 -3.208 1.00 0.00 N ATOM 881 CA LEU A 54 -11.010 -6.817 -2.415 1.00 0.00 C ATOM 882 C LEU A 54 -12.246 -7.268 -3.184 1.00 0.00 C ATOM 883 O LEU A 54 -12.987 -8.156 -2.754 1.00 0.00 O ATOM 884 CB LEU A 54 -11.100 -5.333 -2.026 1.00 0.00 C ATOM 885 CG LEU A 54 -12.434 -5.035 -1.313 1.00 0.00 C ATOM 886 CD1 LEU A 54 -12.214 -4.115 -0.113 1.00 0.00 C ATOM 887 CD2 LEU A 54 -13.504 -4.425 -2.224 1.00 0.00 C ATOM 0 H LEU A 54 -9.236 -6.229 -3.347 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.955 -7.399 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.267 -5.072 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.012 -4.712 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.808 -6.005 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.169 -3.918 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.537 -4.595 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -11.779 -3.174 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.412 -4.245 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.140 -3.482 -2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.722 -5.114 -3.040 1.00 0.00 H new ATOM 899 N ARG A 55 -12.459 -6.675 -4.358 1.00 0.00 N ATOM 900 CA ARG A 55 -13.622 -7.024 -5.168 1.00 0.00 C ATOM 901 C ARG A 55 -13.606 -8.498 -5.564 1.00 0.00 C ATOM 902 O ARG A 55 -14.679 -9.086 -5.681 1.00 0.00 O ATOM 903 CB ARG A 55 -13.846 -6.022 -6.304 1.00 0.00 C ATOM 904 CG ARG A 55 -12.961 -6.054 -7.553 1.00 0.00 C ATOM 905 CD ARG A 55 -13.326 -7.177 -8.539 1.00 0.00 C ATOM 906 NE ARG A 55 -13.210 -6.720 -9.933 1.00 0.00 N ATOM 907 CZ ARG A 55 -12.072 -6.408 -10.563 1.00 0.00 C ATOM 908 NH1 ARG A 55 -10.898 -6.684 -10.013 1.00 0.00 N ATOM 909 NH2 ARG A 55 -12.110 -5.791 -11.736 1.00 0.00 N ATOM 0 H ARG A 55 -11.852 -5.962 -4.763 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.522 -6.926 -4.560 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.877 -6.138 -6.637 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.761 -5.024 -5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.035 -5.095 -8.065 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.921 -6.173 -7.248 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.670 -8.033 -8.378 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.344 -7.515 -8.348 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.075 -6.633 -10.467 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.856 -7.139 -9.101 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.036 -6.442 -10.502 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.008 -5.554 -12.159 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.242 -5.553 -12.216 1.00 0.00 H new ATOM 923 N ASN A 56 -12.427 -9.100 -5.728 1.00 0.00 N ATOM 924 CA ASN A 56 -12.274 -10.504 -6.083 1.00 0.00 C ATOM 925 C ASN A 56 -12.730 -11.402 -4.925 1.00 0.00 C ATOM 926 O ASN A 56 -13.525 -12.318 -5.135 1.00 0.00 O ATOM 927 CB ASN A 56 -10.819 -10.841 -6.455 1.00 0.00 C ATOM 928 CG ASN A 56 -10.384 -10.408 -7.851 1.00 0.00 C ATOM 929 OD1 ASN A 56 -11.190 -10.007 -8.687 1.00 0.00 O ATOM 930 ND2 ASN A 56 -9.103 -10.529 -8.151 1.00 0.00 N ATOM 0 H ASN A 56 -11.538 -8.613 -5.615 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.900 -10.689 -6.956 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.158 -10.374 -5.725 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.680 -11.918 -6.367 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.773 -10.288 -9.086 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.444 -10.863 -7.448 1.00 0.00 H new ATOM 937 N VAL A 57 -12.277 -11.166 -3.690 1.00 0.00 N ATOM 938 CA VAL A 57 -12.663 -12.000 -2.554 1.00 0.00 C ATOM 939 C VAL A 57 -14.146 -11.835 -2.266 1.00 0.00 C ATOM 940 O VAL A 57 -14.816 -12.807 -1.908 1.00 0.00 O ATOM 941 CB VAL A 57 -11.721 -11.749 -1.370 1.00 0.00 C ATOM 942 CG1 VAL A 57 -11.854 -10.396 -0.661 1.00 0.00 C ATOM 943 CG2 VAL A 57 -11.804 -12.865 -0.322 1.00 0.00 C ATOM 0 H VAL A 57 -11.642 -10.403 -3.454 1.00 0.00 H new ATOM 0 HA VAL A 57 -12.541 -13.058 -2.785 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.744 -11.737 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.135 -10.341 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.658 -9.592 -1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.864 -10.291 -0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.120 -12.646 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.822 -12.929 0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.529 -13.815 -0.780 1.00 0.00 H new ATOM 953 N PHE A 58 -14.683 -10.629 -2.472 1.00 0.00 N ATOM 954 CA PHE A 58 -16.093 -10.358 -2.265 1.00 0.00 C ATOM 955 C PHE A 58 -16.889 -11.096 -3.341 1.00 0.00 C ATOM 956 O PHE A 58 -18.002 -11.560 -3.073 1.00 0.00 O ATOM 957 CB PHE A 58 -16.375 -8.844 -2.350 1.00 0.00 C ATOM 958 CG PHE A 58 -16.736 -8.198 -1.027 1.00 0.00 C ATOM 959 CD1 PHE A 58 -15.943 -8.428 0.114 1.00 0.00 C ATOM 960 CD2 PHE A 58 -17.880 -7.381 -0.932 1.00 0.00 C ATOM 961 CE1 PHE A 58 -16.321 -7.872 1.349 1.00 0.00 C ATOM 962 CE2 PHE A 58 -18.237 -6.796 0.294 1.00 0.00 C ATOM 963 CZ PHE A 58 -17.463 -7.055 1.439 1.00 0.00 C ATOM 0 H PHE A 58 -14.147 -9.820 -2.786 1.00 0.00 H new ATOM 0 HA PHE A 58 -16.388 -10.701 -1.273 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -15.495 -8.345 -2.756 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -17.189 -8.678 -3.056 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -15.049 -9.029 0.041 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -18.486 -7.203 -1.808 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -15.732 -8.073 2.232 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -19.101 -6.151 0.357 1.00 0.00 H new ATOM 0 HZ PHE A 58 -17.746 -6.626 2.389 1.00 0.00 H new ATOM 973 N VAL A 59 -16.354 -11.205 -4.564 1.00 0.00 N ATOM 974 CA VAL A 59 -17.116 -11.885 -5.620 1.00 0.00 C ATOM 975 C VAL A 59 -17.176 -13.397 -5.401 1.00 0.00 C ATOM 976 O VAL A 59 -18.204 -14.015 -5.687 1.00 0.00 O ATOM 977 CB VAL A 59 -16.708 -11.458 -7.046 1.00 0.00 C ATOM 978 CG1 VAL A 59 -15.595 -12.270 -7.723 1.00 0.00 C ATOM 979 CG2 VAL A 59 -17.958 -11.490 -7.932 1.00 0.00 C ATOM 0 H VAL A 59 -15.439 -10.849 -4.840 1.00 0.00 H new ATOM 0 HA VAL A 59 -18.146 -11.540 -5.534 1.00 0.00 H new ATOM 0 HB VAL A 59 -16.280 -10.462 -6.931 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -15.405 -11.868 -8.718 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -14.685 -12.208 -7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.904 -13.312 -7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -17.693 -11.191 -8.946 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.368 -12.500 -7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.704 -10.802 -7.534 1.00 0.00 H new ATOM 989 N SER A 60 -16.108 -14.006 -4.885 1.00 0.00 N ATOM 990 CA SER A 60 -16.115 -15.444 -4.632 1.00 0.00 C ATOM 991 C SER A 60 -16.972 -15.751 -3.405 1.00 0.00 C ATOM 992 O SER A 60 -17.398 -16.884 -3.204 1.00 0.00 O ATOM 993 CB SER A 60 -14.685 -15.936 -4.435 1.00 0.00 C ATOM 994 OG SER A 60 -13.975 -15.760 -5.645 1.00 0.00 O ATOM 0 H SER A 60 -15.239 -13.533 -4.637 1.00 0.00 H new ATOM 0 HA SER A 60 -16.545 -15.964 -5.488 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.202 -15.382 -3.630 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.683 -16.987 -4.145 1.00 0.00 H new ATOM 0 HG SER A 60 -13.053 -16.071 -5.531 1.00 0.00 H new ATOM 1000 N GLU A 61 -17.261 -14.746 -2.578 1.00 0.00 N ATOM 1001 CA GLU A 61 -18.073 -14.930 -1.394 1.00 0.00 C ATOM 1002 C GLU A 61 -19.554 -15.041 -1.746 1.00 0.00 C ATOM 1003 O GLU A 61 -20.324 -15.556 -0.943 1.00 0.00 O ATOM 1004 CB GLU A 61 -17.843 -13.747 -0.449 1.00 0.00 C ATOM 1005 CG GLU A 61 -18.011 -14.153 1.019 1.00 0.00 C ATOM 1006 CD GLU A 61 -16.877 -15.063 1.492 1.00 0.00 C ATOM 1007 OE1 GLU A 61 -15.713 -14.599 1.578 1.00 0.00 O ATOM 1008 OE2 GLU A 61 -17.147 -16.262 1.718 1.00 0.00 O ATOM 0 H GLU A 61 -16.936 -13.789 -2.716 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.781 -15.861 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.841 -13.347 -0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.545 -12.948 -0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -18.043 -13.259 1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -18.965 -14.665 1.147 1.00 0.00 H new ATOM 1015 N ARG A 62 -19.971 -14.582 -2.932 1.00 0.00 N ATOM 1016 CA ARG A 62 -21.365 -14.610 -3.386 1.00 0.00 C ATOM 1017 C ARG A 62 -22.294 -13.774 -2.478 1.00 0.00 C ATOM 1018 O ARG A 62 -23.512 -13.938 -2.527 1.00 0.00 O ATOM 1019 CB ARG A 62 -21.808 -16.073 -3.626 1.00 0.00 C ATOM 1020 CG ARG A 62 -23.109 -16.181 -4.438 1.00 0.00 C ATOM 1021 CD ARG A 62 -23.356 -17.577 -5.007 1.00 0.00 C ATOM 1022 NE ARG A 62 -23.647 -18.593 -3.976 1.00 0.00 N ATOM 1023 CZ ARG A 62 -24.306 -19.741 -4.192 1.00 0.00 C ATOM 1024 NH1 ARG A 62 -24.889 -19.981 -5.362 1.00 0.00 N ATOM 1025 NH2 ARG A 62 -24.370 -20.670 -3.247 1.00 0.00 N ATOM 0 H ARG A 62 -19.335 -14.172 -3.616 1.00 0.00 H new ATOM 0 HA ARG A 62 -21.447 -14.109 -4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -21.014 -16.606 -4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -21.944 -16.568 -2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -23.949 -15.902 -3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -23.077 -15.463 -5.258 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -24.190 -17.532 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -22.480 -17.889 -5.575 1.00 0.00 H new ATOM 0 HE ARG A 62 -23.322 -18.408 -3.027 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -24.838 -19.288 -6.109 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -25.387 -20.858 -5.513 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -23.916 -20.514 -2.347 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -24.873 -21.540 -3.420 1.00 0.00 H new ATOM 1039 N LYS A 63 -21.763 -12.866 -1.646 1.00 0.00 N ATOM 1040 CA LYS A 63 -22.547 -12.002 -0.759 1.00 0.00 C ATOM 1041 C LYS A 63 -21.964 -10.591 -0.782 1.00 0.00 C ATOM 1042 O LYS A 63 -20.754 -10.451 -0.601 1.00 0.00 O ATOM 1043 CB LYS A 63 -22.677 -12.572 0.666 1.00 0.00 C ATOM 1044 CG LYS A 63 -21.400 -13.145 1.288 1.00 0.00 C ATOM 1045 CD LYS A 63 -21.576 -13.623 2.735 1.00 0.00 C ATOM 1046 CE LYS A 63 -22.586 -14.776 2.823 1.00 0.00 C ATOM 1047 NZ LYS A 63 -22.595 -15.393 4.162 1.00 0.00 N ATOM 0 H LYS A 63 -20.758 -12.711 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 63 -23.570 -11.958 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.050 -11.782 1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -23.433 -13.357 0.653 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -21.054 -13.980 0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -20.620 -12.384 1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -20.614 -13.948 3.132 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -21.913 -12.793 3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -23.583 -14.405 2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -22.342 -15.531 2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -23.289 -16.167 4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -21.650 -15.769 4.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -22.853 -14.678 4.872 1.00 0.00 H new ATOM 1061 N PRO A 64 -22.770 -9.539 -1.022 1.00 0.00 N ATOM 1062 CA PRO A 64 -22.294 -8.159 -1.046 1.00 0.00 C ATOM 1063 C PRO A 64 -22.146 -7.568 0.365 1.00 0.00 C ATOM 1064 O PRO A 64 -21.758 -6.408 0.483 1.00 0.00 O ATOM 1065 CB PRO A 64 -23.370 -7.400 -1.831 1.00 0.00 C ATOM 1066 CG PRO A 64 -24.653 -8.099 -1.382 1.00 0.00 C ATOM 1067 CD PRO A 64 -24.208 -9.559 -1.268 1.00 0.00 C ATOM 0 HA PRO A 64 -21.303 -8.089 -1.495 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -23.379 -6.338 -1.587 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -23.219 -7.478 -2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -25.017 -7.710 -0.431 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -25.458 -7.975 -2.106 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -24.733 -10.062 -0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -24.437 -10.106 -2.182 1.00 0.00 H new ATOM 1075 N ALA A 65 -22.495 -8.324 1.413 1.00 0.00 N ATOM 1076 CA ALA A 65 -22.446 -7.946 2.815 1.00 0.00 C ATOM 1077 C ALA A 65 -21.594 -8.962 3.569 1.00 0.00 C ATOM 1078 O ALA A 65 -21.901 -10.156 3.506 1.00 0.00 O ATOM 1079 CB ALA A 65 -23.874 -7.934 3.373 1.00 0.00 C ATOM 0 H ALA A 65 -22.840 -9.276 1.287 1.00 0.00 H new ATOM 0 HA ALA A 65 -22.007 -6.955 2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -23.851 -7.652 4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -24.476 -7.215 2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -24.312 -8.927 3.273 1.00 0.00 H new ATOM 1085 N LEU A 66 -20.542 -8.501 4.249 1.00 0.00 N ATOM 1086 CA LEU A 66 -19.606 -9.305 5.036 1.00 0.00 C ATOM 1087 C LEU A 66 -19.468 -8.672 6.413 1.00 0.00 C ATOM 1088 O LEU A 66 -19.739 -7.482 6.584 1.00 0.00 O ATOM 1089 CB LEU A 66 -18.212 -9.316 4.374 1.00 0.00 C ATOM 1090 CG LEU A 66 -17.886 -10.459 3.399 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -18.010 -11.817 4.104 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -18.722 -10.405 2.118 1.00 0.00 C ATOM 0 H LEU A 66 -20.309 -7.508 4.266 1.00 0.00 H new ATOM 0 HA LEU A 66 -19.983 -10.325 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -18.089 -8.375 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -17.465 -9.331 5.168 1.00 0.00 H new ATOM 0 HG LEU A 66 -16.851 -10.328 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.776 -12.615 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.314 -11.857 4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -19.028 -11.944 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -18.447 -11.237 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -19.780 -10.476 2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -18.535 -9.464 1.601 1.00 0.00 H new ATOM 1104 N THR A 67 -19.064 -9.462 7.407 1.00 0.00 N ATOM 1105 CA THR A 67 -18.852 -8.951 8.753 1.00 0.00 C ATOM 1106 C THR A 67 -17.563 -8.125 8.671 1.00 0.00 C ATOM 1107 O THR A 67 -16.672 -8.431 7.866 1.00 0.00 O ATOM 1108 CB THR A 67 -18.738 -10.102 9.772 1.00 0.00 C ATOM 1109 OG1 THR A 67 -19.524 -11.213 9.364 1.00 0.00 O ATOM 1110 CG2 THR A 67 -19.202 -9.664 11.158 1.00 0.00 C ATOM 0 H THR A 67 -18.878 -10.459 7.301 1.00 0.00 H new ATOM 0 HA THR A 67 -19.688 -8.343 9.098 1.00 0.00 H new ATOM 0 HB THR A 67 -17.687 -10.386 9.817 1.00 0.00 H new ATOM 0 HG1 THR A 67 -20.472 -10.965 9.376 1.00 0.00 H new ATOM 0 HG21 THR A 67 -19.109 -10.498 11.853 1.00 0.00 H new ATOM 0 HG22 THR A 67 -18.585 -8.834 11.503 1.00 0.00 H new ATOM 0 HG23 THR A 67 -20.244 -9.346 11.109 1.00 0.00 H new ATOM 1118 N MET A 68 -17.448 -7.078 9.484 1.00 0.00 N ATOM 1119 CA MET A 68 -16.271 -6.223 9.488 1.00 0.00 C ATOM 1120 C MET A 68 -15.034 -7.072 9.768 1.00 0.00 C ATOM 1121 O MET A 68 -14.059 -7.006 9.030 1.00 0.00 O ATOM 1122 CB MET A 68 -16.422 -5.112 10.541 1.00 0.00 C ATOM 1123 CG MET A 68 -15.345 -4.037 10.383 1.00 0.00 C ATOM 1124 SD MET A 68 -15.548 -2.994 8.916 1.00 0.00 S ATOM 1125 CE MET A 68 -16.936 -1.976 9.473 1.00 0.00 C ATOM 0 H MET A 68 -18.166 -6.802 10.154 1.00 0.00 H new ATOM 0 HA MET A 68 -16.162 -5.748 8.513 1.00 0.00 H new ATOM 0 HB2 MET A 68 -17.408 -4.656 10.451 1.00 0.00 H new ATOM 0 HB3 MET A 68 -16.361 -5.545 11.539 1.00 0.00 H new ATOM 0 HG2 MET A 68 -15.348 -3.403 11.269 1.00 0.00 H new ATOM 0 HG3 MET A 68 -14.369 -4.520 10.340 1.00 0.00 H new ATOM 0 HE1 MET A 68 -16.876 -0.992 9.007 1.00 0.00 H new ATOM 0 HE2 MET A 68 -17.874 -2.454 9.191 1.00 0.00 H new ATOM 0 HE3 MET A 68 -16.896 -1.867 10.557 1.00 0.00 H new ATOM 1135 N GLU A 69 -15.106 -7.926 10.787 1.00 0.00 N ATOM 1136 CA GLU A 69 -14.006 -8.783 11.195 1.00 0.00 C ATOM 1137 C GLU A 69 -13.561 -9.746 10.088 1.00 0.00 C ATOM 1138 O GLU A 69 -12.362 -9.983 9.930 1.00 0.00 O ATOM 1139 CB GLU A 69 -14.467 -9.510 12.459 1.00 0.00 C ATOM 1140 CG GLU A 69 -13.441 -10.512 12.985 1.00 0.00 C ATOM 1141 CD GLU A 69 -13.906 -11.105 14.319 1.00 0.00 C ATOM 1142 OE1 GLU A 69 -14.647 -12.118 14.284 1.00 0.00 O ATOM 1143 OE2 GLU A 69 -13.527 -10.555 15.387 1.00 0.00 O ATOM 0 H GLU A 69 -15.944 -8.040 11.357 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.116 -8.188 11.399 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.679 -8.775 13.236 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.401 -10.032 12.250 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.296 -11.310 12.256 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.477 -10.020 13.115 1.00 0.00 H new ATOM 1150 N VAL A 70 -14.507 -10.287 9.317 1.00 0.00 N ATOM 1151 CA VAL A 70 -14.218 -11.224 8.240 1.00 0.00 C ATOM 1152 C VAL A 70 -13.381 -10.541 7.167 1.00 0.00 C ATOM 1153 O VAL A 70 -12.286 -11.017 6.873 1.00 0.00 O ATOM 1154 CB VAL A 70 -15.518 -11.831 7.669 1.00 0.00 C ATOM 1155 CG1 VAL A 70 -15.257 -12.746 6.461 1.00 0.00 C ATOM 1156 CG2 VAL A 70 -16.226 -12.668 8.734 1.00 0.00 C ATOM 0 H VAL A 70 -15.500 -10.083 9.427 1.00 0.00 H new ATOM 0 HA VAL A 70 -13.635 -12.054 8.638 1.00 0.00 H new ATOM 0 HB VAL A 70 -16.134 -10.989 7.353 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.203 -13.147 6.097 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.777 -12.173 5.668 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.606 -13.567 6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.141 -13.089 8.317 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.569 -13.475 9.058 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -16.474 -12.037 9.588 1.00 0.00 H new ATOM 1166 N VAL A 71 -13.879 -9.447 6.575 1.00 0.00 N ATOM 1167 CA VAL A 71 -13.116 -8.768 5.519 1.00 0.00 C ATOM 1168 C VAL A 71 -11.764 -8.251 6.028 1.00 0.00 C ATOM 1169 O VAL A 71 -10.786 -8.231 5.285 1.00 0.00 O ATOM 1170 CB VAL A 71 -13.941 -7.666 4.822 1.00 0.00 C ATOM 1171 CG1 VAL A 71 -14.050 -6.357 5.622 1.00 0.00 C ATOM 1172 CG2 VAL A 71 -13.364 -7.359 3.434 1.00 0.00 C ATOM 0 H VAL A 71 -14.779 -9.023 6.800 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.896 -9.517 4.758 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.950 -8.071 4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.646 -5.636 5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.529 -6.555 6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.053 -5.950 5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.958 -6.580 2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.334 -7.019 3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.390 -8.260 2.822 1.00 0.00 H new ATOM 1182 N CYS A 72 -11.721 -7.850 7.295 1.00 0.00 N ATOM 1183 CA CYS A 72 -10.552 -7.309 7.966 1.00 0.00 C ATOM 1184 C CYS A 72 -9.456 -8.371 7.963 1.00 0.00 C ATOM 1185 O CYS A 72 -8.355 -8.112 7.464 1.00 0.00 O ATOM 1186 CB CYS A 72 -10.959 -6.834 9.371 1.00 0.00 C ATOM 1187 SG CYS A 72 -9.716 -5.769 10.133 1.00 0.00 S ATOM 0 H CYS A 72 -12.537 -7.897 7.905 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.149 -6.438 7.450 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -11.904 -6.295 9.308 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -11.128 -7.702 10.009 1.00 0.00 H new ATOM 0 HG CYS A 72 -10.122 -5.403 11.312 1.00 0.00 H new ATOM 1193 N ALA A 73 -9.769 -9.556 8.502 1.00 0.00 N ATOM 1194 CA ALA A 73 -8.853 -10.685 8.566 1.00 0.00 C ATOM 1195 C ALA A 73 -8.434 -11.067 7.144 1.00 0.00 C ATOM 1196 O ALA A 73 -7.250 -11.179 6.830 1.00 0.00 O ATOM 1197 CB ALA A 73 -9.537 -11.856 9.275 1.00 0.00 C ATOM 0 H ALA A 73 -10.683 -9.753 8.911 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.961 -10.419 9.133 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.852 -12.702 9.324 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.816 -11.557 10.285 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.431 -12.144 8.722 1.00 0.00 H new ATOM 1203 N ARG A 74 -9.424 -11.198 6.260 1.00 0.00 N ATOM 1204 CA ARG A 74 -9.248 -11.546 4.856 1.00 0.00 C ATOM 1205 C ARG A 74 -8.285 -10.604 4.146 1.00 0.00 C ATOM 1206 O ARG A 74 -7.617 -11.036 3.200 1.00 0.00 O ATOM 1207 CB ARG A 74 -10.631 -11.553 4.185 1.00 0.00 C ATOM 1208 CG ARG A 74 -11.373 -12.890 4.379 1.00 0.00 C ATOM 1209 CD ARG A 74 -10.795 -14.007 3.493 1.00 0.00 C ATOM 1210 NE ARG A 74 -11.494 -15.290 3.694 1.00 0.00 N ATOM 1211 CZ ARG A 74 -10.953 -16.479 3.999 1.00 0.00 C ATOM 1212 NH1 ARG A 74 -9.660 -16.615 4.273 1.00 0.00 N ATOM 1213 NH2 ARG A 74 -11.746 -17.543 4.022 1.00 0.00 N ATOM 0 H ARG A 74 -10.402 -11.059 6.514 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.798 -12.536 4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -11.235 -10.743 4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.515 -11.356 3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.312 -13.190 5.425 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.430 -12.755 4.148 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.869 -13.714 2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.735 -14.133 3.714 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.508 -15.271 3.589 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.046 -15.800 4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.281 -17.534 4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.739 -17.444 3.811 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.362 -18.460 4.251 1.00 0.00 H new ATOM 1227 N MET A 75 -8.210 -9.332 4.534 1.00 0.00 N ATOM 1228 CA MET A 75 -7.300 -8.398 3.899 1.00 0.00 C ATOM 1229 C MET A 75 -5.923 -8.466 4.555 1.00 0.00 C ATOM 1230 O MET A 75 -4.925 -8.542 3.832 1.00 0.00 O ATOM 1231 CB MET A 75 -7.850 -6.961 3.913 1.00 0.00 C ATOM 1232 CG MET A 75 -8.000 -6.392 2.492 1.00 0.00 C ATOM 1233 SD MET A 75 -9.691 -6.182 1.881 1.00 0.00 S ATOM 1234 CE MET A 75 -10.241 -7.895 1.700 1.00 0.00 C ATOM 0 H MET A 75 -8.771 -8.931 5.285 1.00 0.00 H new ATOM 0 HA MET A 75 -7.201 -8.691 2.854 1.00 0.00 H new ATOM 0 HB2 MET A 75 -8.818 -6.947 4.414 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.183 -6.322 4.492 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.502 -5.423 2.458 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.467 -7.048 1.804 1.00 0.00 H new ATOM 0 HE1 MET A 75 -11.266 -7.911 1.331 1.00 0.00 H new ATOM 0 HE2 MET A 75 -9.593 -8.412 0.993 1.00 0.00 H new ATOM 0 HE3 MET A 75 -10.196 -8.396 2.667 1.00 0.00 H new ATOM 1244 N VAL A 76 -5.859 -8.444 5.890 1.00 0.00 N ATOM 1245 CA VAL A 76 -4.602 -8.469 6.627 1.00 0.00 C ATOM 1246 C VAL A 76 -3.789 -9.735 6.374 1.00 0.00 C ATOM 1247 O VAL A 76 -2.573 -9.633 6.268 1.00 0.00 O ATOM 1248 CB VAL A 76 -4.849 -8.188 8.128 1.00 0.00 C ATOM 1249 CG1 VAL A 76 -5.147 -9.436 8.969 1.00 0.00 C ATOM 1250 CG2 VAL A 76 -3.650 -7.466 8.741 1.00 0.00 C ATOM 0 H VAL A 76 -6.684 -8.408 6.488 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.976 -7.662 6.245 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.743 -7.565 8.153 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.307 -9.145 10.007 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.042 -9.927 8.587 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.304 -10.124 8.911 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.841 -7.276 9.797 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.760 -8.087 8.639 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.493 -6.519 8.225 1.00 0.00 H new ATOM 1260 N ASP A 77 -4.425 -10.891 6.164 1.00 0.00 N ATOM 1261 CA ASP A 77 -3.744 -12.169 5.935 1.00 0.00 C ATOM 1262 C ASP A 77 -2.801 -12.152 4.732 1.00 0.00 C ATOM 1263 O ASP A 77 -1.889 -12.977 4.646 1.00 0.00 O ATOM 1264 CB ASP A 77 -4.764 -13.318 5.828 1.00 0.00 C ATOM 1265 CG ASP A 77 -5.177 -13.867 7.197 1.00 0.00 C ATOM 1266 OD1 ASP A 77 -4.333 -13.884 8.121 1.00 0.00 O ATOM 1267 OD2 ASP A 77 -6.338 -14.295 7.368 1.00 0.00 O ATOM 0 H ASP A 77 -5.442 -10.967 6.148 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.110 -12.339 6.805 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.650 -12.965 5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.337 -14.124 5.231 1.00 0.00 H new ATOM 1272 N SER A 78 -2.981 -11.219 3.800 1.00 0.00 N ATOM 1273 CA SER A 78 -2.143 -11.071 2.621 1.00 0.00 C ATOM 1274 C SER A 78 -0.848 -10.310 2.972 1.00 0.00 C ATOM 1275 O SER A 78 -0.031 -10.073 2.086 1.00 0.00 O ATOM 1276 CB SER A 78 -2.998 -10.369 1.556 1.00 0.00 C ATOM 1277 OG SER A 78 -2.350 -10.086 0.329 1.00 0.00 O ATOM 0 H SER A 78 -3.732 -10.531 3.848 1.00 0.00 H new ATOM 0 HA SER A 78 -1.810 -12.033 2.230 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.869 -10.991 1.349 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.367 -9.432 1.974 1.00 0.00 H new ATOM 0 HG SER A 78 -1.385 -10.001 0.480 1.00 0.00 H new ATOM 1283 N CYS A 79 -0.608 -9.918 4.234 1.00 0.00 N ATOM 1284 CA CYS A 79 0.593 -9.176 4.606 1.00 0.00 C ATOM 1285 C CYS A 79 1.884 -9.990 4.505 1.00 0.00 C ATOM 1286 O CYS A 79 2.972 -9.418 4.591 1.00 0.00 O ATOM 1287 CB CYS A 79 0.438 -8.525 5.988 1.00 0.00 C ATOM 1288 SG CYS A 79 0.470 -9.761 7.317 1.00 0.00 S ATOM 0 H CYS A 79 -1.238 -10.107 5.013 1.00 0.00 H new ATOM 0 HA CYS A 79 0.695 -8.385 3.863 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.240 -7.803 6.143 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.501 -7.972 6.027 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.723 -10.250 7.484 1.00 0.00 H new ATOM 1294 N GLN A 80 1.773 -11.303 4.300 1.00 0.00 N ATOM 1295 CA GLN A 80 2.839 -12.287 4.170 1.00 0.00 C ATOM 1296 C GLN A 80 3.738 -12.096 2.928 1.00 0.00 C ATOM 1297 O GLN A 80 4.095 -13.069 2.271 1.00 0.00 O ATOM 1298 CB GLN A 80 2.202 -13.685 4.196 1.00 0.00 C ATOM 1299 CG GLN A 80 1.196 -13.936 3.055 1.00 0.00 C ATOM 1300 CD GLN A 80 1.295 -15.354 2.495 1.00 0.00 C ATOM 1301 OE1 GLN A 80 1.100 -16.332 3.216 1.00 0.00 O ATOM 1302 NE2 GLN A 80 1.566 -15.501 1.213 1.00 0.00 N ATOM 0 H GLN A 80 0.855 -11.739 4.214 1.00 0.00 H new ATOM 0 HA GLN A 80 3.520 -12.154 5.011 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.992 -14.434 4.142 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.695 -13.825 5.151 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.184 -13.762 3.421 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.372 -13.218 2.254 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.725 -14.681 0.628 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.616 -16.435 0.806 1.00 0.00 H new ATOM 1311 N THR A 81 4.093 -10.869 2.563 1.00 0.00 N ATOM 1312 CA THR A 81 4.931 -10.530 1.425 1.00 0.00 C ATOM 1313 C THR A 81 6.130 -9.752 1.974 1.00 0.00 C ATOM 1314 O THR A 81 7.136 -10.390 2.298 1.00 0.00 O ATOM 1315 CB THR A 81 4.099 -9.885 0.297 1.00 0.00 C ATOM 1316 OG1 THR A 81 4.948 -9.234 -0.619 1.00 0.00 O ATOM 1317 CG2 THR A 81 3.002 -8.921 0.756 1.00 0.00 C ATOM 0 H THR A 81 3.787 -10.045 3.080 1.00 0.00 H new ATOM 0 HA THR A 81 5.347 -11.397 0.912 1.00 0.00 H new ATOM 0 HB THR A 81 3.574 -10.717 -0.173 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.411 -8.829 -1.332 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.479 -8.525 -0.114 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.295 -9.451 1.394 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.450 -8.100 1.315 1.00 0.00 H new ATOM 1325 N ALA A 82 6.051 -8.422 2.135 1.00 0.00 N ATOM 1326 CA ALA A 82 7.164 -7.618 2.653 1.00 0.00 C ATOM 1327 C ALA A 82 6.734 -6.285 3.282 1.00 0.00 C ATOM 1328 O ALA A 82 7.554 -5.373 3.450 1.00 0.00 O ATOM 1329 CB ALA A 82 8.180 -7.387 1.521 1.00 0.00 C ATOM 0 H ALA A 82 5.218 -7.878 1.911 1.00 0.00 H new ATOM 0 HA ALA A 82 7.618 -8.182 3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.012 -6.790 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.553 -8.347 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.696 -6.859 0.699 1.00 0.00 H new ATOM 1335 N LEU A 83 5.454 -6.155 3.614 1.00 0.00 N ATOM 1336 CA LEU A 83 4.824 -4.970 4.204 1.00 0.00 C ATOM 1337 C LEU A 83 4.237 -5.278 5.580 1.00 0.00 C ATOM 1338 O LEU A 83 4.074 -6.445 5.951 1.00 0.00 O ATOM 1339 CB LEU A 83 3.760 -4.392 3.245 1.00 0.00 C ATOM 1340 CG LEU A 83 2.836 -5.404 2.540 1.00 0.00 C ATOM 1341 CD1 LEU A 83 1.887 -6.103 3.510 1.00 0.00 C ATOM 1342 CD2 LEU A 83 1.971 -4.758 1.464 1.00 0.00 C ATOM 0 H LEU A 83 4.787 -6.914 3.472 1.00 0.00 H new ATOM 0 HA LEU A 83 5.592 -4.211 4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.136 -3.698 3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.273 -3.810 2.479 1.00 0.00 H new ATOM 0 HG LEU A 83 3.519 -6.125 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.259 -6.805 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.466 -6.643 4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.258 -5.361 4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.340 -5.516 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.343 -3.990 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.611 -4.305 0.706 1.00 0.00 H new ATOM 1354 N SER A 84 3.940 -4.242 6.359 1.00 0.00 N ATOM 1355 CA SER A 84 3.365 -4.408 7.684 1.00 0.00 C ATOM 1356 C SER A 84 1.851 -4.611 7.577 1.00 0.00 C ATOM 1357 O SER A 84 1.215 -3.984 6.729 1.00 0.00 O ATOM 1358 CB SER A 84 3.628 -3.146 8.502 1.00 0.00 C ATOM 1359 OG SER A 84 5.007 -2.998 8.770 1.00 0.00 O ATOM 0 H SER A 84 4.091 -3.270 6.089 1.00 0.00 H new ATOM 0 HA SER A 84 3.817 -5.277 8.163 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.263 -2.274 7.960 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.074 -3.193 9.440 1.00 0.00 H new ATOM 0 HG SER A 84 5.153 -2.182 9.293 1.00 0.00 H new ATOM 1365 N PRO A 85 1.232 -5.395 8.473 1.00 0.00 N ATOM 1366 CA PRO A 85 -0.206 -5.630 8.450 1.00 0.00 C ATOM 1367 C PRO A 85 -0.997 -4.338 8.682 1.00 0.00 C ATOM 1368 O PRO A 85 -2.108 -4.207 8.174 1.00 0.00 O ATOM 1369 CB PRO A 85 -0.465 -6.669 9.549 1.00 0.00 C ATOM 1370 CG PRO A 85 0.737 -6.543 10.477 1.00 0.00 C ATOM 1371 CD PRO A 85 1.862 -6.177 9.522 1.00 0.00 C ATOM 0 HA PRO A 85 -0.539 -5.990 7.477 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.397 -6.467 10.076 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.545 -7.674 9.135 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.584 -5.775 11.235 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.941 -7.475 11.004 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.638 -5.603 10.029 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.339 -7.069 9.116 1.00 0.00 H new ATOM 1379 N GLY A 86 -0.445 -3.368 9.425 1.00 0.00 N ATOM 1380 CA GLY A 86 -1.144 -2.117 9.687 1.00 0.00 C ATOM 1381 C GLY A 86 -1.281 -1.230 8.450 1.00 0.00 C ATOM 1382 O GLY A 86 -2.169 -0.375 8.417 1.00 0.00 O ATOM 0 H GLY A 86 0.480 -3.432 9.850 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.137 -2.339 10.078 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.611 -1.567 10.463 1.00 0.00 H new ATOM 1386 N GLU A 87 -0.406 -1.381 7.445 1.00 0.00 N ATOM 1387 CA GLU A 87 -0.527 -0.552 6.249 1.00 0.00 C ATOM 1388 C GLU A 87 -1.751 -0.998 5.459 1.00 0.00 C ATOM 1389 O GLU A 87 -2.441 -0.159 4.891 1.00 0.00 O ATOM 1390 CB GLU A 87 0.762 -0.554 5.412 1.00 0.00 C ATOM 1391 CG GLU A 87 0.884 -1.588 4.278 1.00 0.00 C ATOM 1392 CD GLU A 87 2.100 -1.327 3.389 1.00 0.00 C ATOM 1393 OE1 GLU A 87 3.071 -0.708 3.892 1.00 0.00 O ATOM 1394 OE2 GLU A 87 2.098 -1.771 2.225 1.00 0.00 O ATOM 0 H GLU A 87 0.366 -2.047 7.438 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.670 0.488 6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.878 0.437 4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.601 -0.702 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.957 -2.588 4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.020 -1.567 3.670 1.00 0.00 H new ATOM 1401 N MET A 88 -2.043 -2.304 5.480 1.00 0.00 N ATOM 1402 CA MET A 88 -3.177 -2.910 4.800 1.00 0.00 C ATOM 1403 C MET A 88 -4.426 -2.129 5.196 1.00 0.00 C ATOM 1404 O MET A 88 -5.176 -1.654 4.350 1.00 0.00 O ATOM 1405 CB MET A 88 -3.288 -4.382 5.232 1.00 0.00 C ATOM 1406 CG MET A 88 -4.106 -5.215 4.248 1.00 0.00 C ATOM 1407 SD MET A 88 -3.223 -5.733 2.754 1.00 0.00 S ATOM 1408 CE MET A 88 -1.880 -6.737 3.456 1.00 0.00 C ATOM 0 H MET A 88 -1.475 -2.982 5.988 1.00 0.00 H new ATOM 0 HA MET A 88 -3.057 -2.879 3.717 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.289 -4.808 5.322 1.00 0.00 H new ATOM 0 HB3 MET A 88 -3.747 -4.435 6.219 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.468 -6.105 4.763 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.983 -4.640 3.951 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.515 -7.434 2.702 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.066 -6.085 3.772 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.253 -7.294 4.315 1.00 0.00 H new ATOM 1418 N GLU A 89 -4.605 -1.952 6.506 1.00 0.00 N ATOM 1419 CA GLU A 89 -5.719 -1.230 7.081 1.00 0.00 C ATOM 1420 C GLU A 89 -5.730 0.205 6.566 1.00 0.00 C ATOM 1421 O GLU A 89 -6.736 0.656 6.029 1.00 0.00 O ATOM 1422 CB GLU A 89 -5.590 -1.247 8.604 1.00 0.00 C ATOM 1423 CG GLU A 89 -6.898 -0.779 9.265 1.00 0.00 C ATOM 1424 CD GLU A 89 -6.691 0.194 10.426 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -5.695 0.088 11.178 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -7.497 1.146 10.558 1.00 0.00 O ATOM 0 H GLU A 89 -3.959 -2.319 7.205 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.656 -1.707 6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.346 -2.254 8.942 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.769 -0.599 8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.524 -0.302 8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.443 -1.651 9.627 1.00 0.00 H new ATOM 1433 N LYS A 90 -4.609 0.920 6.705 1.00 0.00 N ATOM 1434 CA LYS A 90 -4.480 2.308 6.264 1.00 0.00 C ATOM 1435 C LYS A 90 -4.878 2.512 4.809 1.00 0.00 C ATOM 1436 O LYS A 90 -5.414 3.565 4.466 1.00 0.00 O ATOM 1437 CB LYS A 90 -3.033 2.790 6.482 1.00 0.00 C ATOM 1438 CG LYS A 90 -2.727 3.042 7.962 1.00 0.00 C ATOM 1439 CD LYS A 90 -3.342 4.378 8.379 1.00 0.00 C ATOM 1440 CE LYS A 90 -3.597 4.418 9.880 1.00 0.00 C ATOM 1441 NZ LYS A 90 -4.572 5.463 10.248 1.00 0.00 N ATOM 0 H LYS A 90 -3.760 0.547 7.130 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.172 2.898 6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.340 2.045 6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.868 3.707 5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.132 2.235 8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.650 3.056 8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.675 5.193 8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.278 4.534 7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.964 3.447 10.211 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.658 4.599 10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.716 5.456 11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.211 6.393 9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.477 5.277 9.770 1.00 0.00 H new ATOM 1455 N HIS A 91 -4.594 1.536 3.954 1.00 0.00 N ATOM 1456 CA HIS A 91 -4.923 1.663 2.542 1.00 0.00 C ATOM 1457 C HIS A 91 -6.405 1.418 2.330 1.00 0.00 C ATOM 1458 O HIS A 91 -7.000 2.015 1.439 1.00 0.00 O ATOM 1459 CB HIS A 91 -4.027 0.799 1.659 1.00 0.00 C ATOM 1460 CG HIS A 91 -2.574 1.213 1.736 1.00 0.00 C ATOM 1461 ND1 HIS A 91 -2.055 2.452 1.421 1.00 0.00 N ATOM 1462 CD2 HIS A 91 -1.537 0.430 2.161 1.00 0.00 C ATOM 1463 CE1 HIS A 91 -0.732 2.410 1.650 1.00 0.00 C ATOM 1464 NE2 HIS A 91 -0.372 1.206 2.121 1.00 0.00 N ATOM 0 H HIS A 91 -4.142 0.658 4.211 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.717 2.686 2.226 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -4.122 -0.244 1.960 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -4.367 0.865 0.625 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.604 -0.602 2.472 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.052 3.231 1.479 1.00 0.00 H new ATOM 0 HE2 HIS A 91 0.566 0.914 2.396 1.00 0.00 H new ATOM 1472 N LEU A 92 -7.025 0.565 3.142 1.00 0.00 N ATOM 1473 CA LEU A 92 -8.453 0.321 3.021 1.00 0.00 C ATOM 1474 C LEU A 92 -9.185 1.605 3.397 1.00 0.00 C ATOM 1475 O LEU A 92 -10.179 1.926 2.746 1.00 0.00 O ATOM 1476 CB LEU A 92 -8.896 -0.847 3.907 1.00 0.00 C ATOM 1477 CG LEU A 92 -8.316 -2.176 3.410 1.00 0.00 C ATOM 1478 CD1 LEU A 92 -8.428 -3.233 4.509 1.00 0.00 C ATOM 1479 CD2 LEU A 92 -8.990 -2.665 2.120 1.00 0.00 C ATOM 0 H LEU A 92 -6.563 0.038 3.883 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.694 0.042 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.575 -0.669 4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.984 -0.905 3.919 1.00 0.00 H new ATOM 0 HG LEU A 92 -7.266 -2.008 3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.014 -4.176 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.873 -2.904 5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.476 -3.374 4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.542 -3.610 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.056 -2.810 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.851 -1.923 1.333 1.00 0.00 H new ATOM 1491 N VAL A 93 -8.662 2.352 4.376 1.00 0.00 N ATOM 1492 CA VAL A 93 -9.261 3.602 4.809 1.00 0.00 C ATOM 1493 C VAL A 93 -9.213 4.610 3.671 1.00 0.00 C ATOM 1494 O VAL A 93 -10.257 5.157 3.327 1.00 0.00 O ATOM 1495 CB VAL A 93 -8.577 4.194 6.055 1.00 0.00 C ATOM 1496 CG1 VAL A 93 -9.440 5.328 6.618 1.00 0.00 C ATOM 1497 CG2 VAL A 93 -8.322 3.144 7.138 1.00 0.00 C ATOM 0 H VAL A 93 -7.814 2.101 4.884 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.293 3.385 5.085 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.604 4.577 5.747 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.958 5.749 7.500 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.557 6.105 5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.420 4.938 6.892 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.838 3.614 7.994 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.270 2.707 7.452 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.676 2.361 6.741 1.00 0.00 H new ATOM 1507 N LEU A 94 -8.032 4.852 3.079 1.00 0.00 N ATOM 1508 CA LEU A 94 -7.928 5.825 1.996 1.00 0.00 C ATOM 1509 C LEU A 94 -8.891 5.480 0.869 1.00 0.00 C ATOM 1510 O LEU A 94 -9.551 6.361 0.331 1.00 0.00 O ATOM 1511 CB LEU A 94 -6.472 6.004 1.514 1.00 0.00 C ATOM 1512 CG LEU A 94 -5.968 5.075 0.395 1.00 0.00 C ATOM 1513 CD1 LEU A 94 -6.215 5.630 -1.019 1.00 0.00 C ATOM 1514 CD2 LEU A 94 -4.464 4.830 0.549 1.00 0.00 C ATOM 0 H LEU A 94 -7.156 4.394 3.330 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.227 6.798 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.356 7.033 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.816 5.878 2.375 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.536 4.151 0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.835 4.925 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.285 5.775 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.700 6.584 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.119 4.171 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.933 5.780 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.268 4.364 1.515 1.00 0.00 H new ATOM 1526 N LEU A 95 -9.000 4.200 0.520 1.00 0.00 N ATOM 1527 CA LEU A 95 -9.881 3.768 -0.546 1.00 0.00 C ATOM 1528 C LEU A 95 -11.327 4.055 -0.186 1.00 0.00 C ATOM 1529 O LEU A 95 -12.066 4.600 -1.003 1.00 0.00 O ATOM 1530 CB LEU A 95 -9.679 2.276 -0.800 1.00 0.00 C ATOM 1531 CG LEU A 95 -8.374 1.959 -1.560 1.00 0.00 C ATOM 1532 CD1 LEU A 95 -8.172 0.448 -1.681 1.00 0.00 C ATOM 1533 CD2 LEU A 95 -8.347 2.550 -2.975 1.00 0.00 C ATOM 0 H LEU A 95 -8.482 3.444 0.968 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.642 4.320 -1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.673 1.749 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.526 1.893 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.575 2.415 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.246 0.247 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.115 0.008 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.010 0.011 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.405 2.293 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -9.175 2.143 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.442 3.634 -2.918 1.00 0.00 H new ATOM 1545 N ALA A 96 -11.735 3.663 1.014 1.00 0.00 N ATOM 1546 CA ALA A 96 -13.081 3.874 1.533 1.00 0.00 C ATOM 1547 C ALA A 96 -13.419 5.371 1.598 1.00 0.00 C ATOM 1548 O ALA A 96 -14.571 5.733 1.359 1.00 0.00 O ATOM 1549 CB ALA A 96 -13.207 3.232 2.916 1.00 0.00 C ATOM 0 H ALA A 96 -11.124 3.177 1.670 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.793 3.403 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.214 3.392 3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.013 2.162 2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -12.484 3.684 3.594 1.00 0.00 H new ATOM 1555 N GLU A 97 -12.441 6.236 1.883 1.00 0.00 N ATOM 1556 CA GLU A 97 -12.620 7.686 1.973 1.00 0.00 C ATOM 1557 C GLU A 97 -12.726 8.304 0.572 1.00 0.00 C ATOM 1558 O GLU A 97 -13.417 9.304 0.369 1.00 0.00 O ATOM 1559 CB GLU A 97 -11.412 8.294 2.711 1.00 0.00 C ATOM 1560 CG GLU A 97 -11.694 9.664 3.351 1.00 0.00 C ATOM 1561 CD GLU A 97 -12.465 9.528 4.666 1.00 0.00 C ATOM 1562 OE1 GLU A 97 -11.946 8.881 5.605 1.00 0.00 O ATOM 1563 OE2 GLU A 97 -13.614 10.013 4.777 1.00 0.00 O ATOM 0 H GLU A 97 -11.481 5.940 2.061 1.00 0.00 H new ATOM 0 HA GLU A 97 -13.540 7.898 2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.088 7.601 3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.584 8.396 2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.752 10.181 3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.266 10.279 2.656 1.00 0.00 H new ATOM 1570 N LEU A 98 -12.039 7.721 -0.416 1.00 0.00 N ATOM 1571 CA LEU A 98 -12.036 8.204 -1.788 1.00 0.00 C ATOM 1572 C LEU A 98 -13.203 7.646 -2.598 1.00 0.00 C ATOM 1573 O LEU A 98 -13.537 8.208 -3.644 1.00 0.00 O ATOM 1574 CB LEU A 98 -10.722 7.790 -2.488 1.00 0.00 C ATOM 1575 CG LEU A 98 -9.616 8.858 -2.543 1.00 0.00 C ATOM 1576 CD1 LEU A 98 -10.108 10.139 -3.224 1.00 0.00 C ATOM 1577 CD2 LEU A 98 -9.000 9.157 -1.177 1.00 0.00 C ATOM 0 H LEU A 98 -11.464 6.890 -0.276 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.130 9.289 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.325 6.912 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.958 7.488 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.817 8.434 -3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.302 10.872 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.420 9.912 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.953 10.545 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.227 9.918 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.774 9.519 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.559 8.247 -0.770 1.00 0.00 H new ATOM 1589 N LEU A 99 -13.804 6.543 -2.157 1.00 0.00 N ATOM 1590 CA LEU A 99 -14.899 5.865 -2.839 1.00 0.00 C ATOM 1591 C LEU A 99 -16.015 5.538 -1.832 1.00 0.00 C ATOM 1592 O LEU A 99 -16.341 4.356 -1.656 1.00 0.00 O ATOM 1593 CB LEU A 99 -14.326 4.596 -3.513 1.00 0.00 C ATOM 1594 CG LEU A 99 -13.116 4.799 -4.455 1.00 0.00 C ATOM 1595 CD1 LEU A 99 -12.217 3.560 -4.463 1.00 0.00 C ATOM 1596 CD2 LEU A 99 -13.560 5.122 -5.874 1.00 0.00 C ATOM 0 H LEU A 99 -13.532 6.084 -1.288 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.342 6.499 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.034 3.896 -2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.125 4.122 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.549 5.647 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.373 3.727 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.848 3.371 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.788 2.698 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.683 5.258 -6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.164 4.302 -6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.151 6.038 -5.871 1.00 0.00 H new ATOM 1608 N PRO A 100 -16.626 6.543 -1.173 1.00 0.00 N ATOM 1609 CA PRO A 100 -17.689 6.318 -0.197 1.00 0.00 C ATOM 1610 C PRO A 100 -18.971 5.789 -0.845 1.00 0.00 C ATOM 1611 O PRO A 100 -19.857 5.312 -0.140 1.00 0.00 O ATOM 1612 CB PRO A 100 -17.907 7.665 0.495 1.00 0.00 C ATOM 1613 CG PRO A 100 -17.516 8.665 -0.585 1.00 0.00 C ATOM 1614 CD PRO A 100 -16.353 7.969 -1.285 1.00 0.00 C ATOM 0 HA PRO A 100 -17.407 5.546 0.519 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -18.942 7.795 0.811 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -17.287 7.768 1.385 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -18.340 8.863 -1.270 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -17.217 9.623 -0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.285 8.274 -2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.403 8.224 -0.815 1.00 0.00 H new ATOM 1622 N ASP A 101 -19.112 5.894 -2.172 1.00 0.00 N ATOM 1623 CA ASP A 101 -20.279 5.383 -2.881 1.00 0.00 C ATOM 1624 C ASP A 101 -20.088 3.905 -3.219 1.00 0.00 C ATOM 1625 O ASP A 101 -21.054 3.249 -3.620 1.00 0.00 O ATOM 1626 CB ASP A 101 -20.554 6.151 -4.182 1.00 0.00 C ATOM 1627 CG ASP A 101 -19.507 5.937 -5.274 1.00 0.00 C ATOM 1628 OD1 ASP A 101 -18.361 6.410 -5.100 1.00 0.00 O ATOM 1629 OD2 ASP A 101 -19.822 5.293 -6.308 1.00 0.00 O ATOM 0 H ASP A 101 -18.420 6.335 -2.778 1.00 0.00 H new ATOM 0 HA ASP A 101 -21.132 5.516 -2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -21.529 5.852 -4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -20.613 7.216 -3.956 1.00 0.00 H new ATOM 1634 N TRP A 102 -18.864 3.377 -3.106 1.00 0.00 N ATOM 1635 CA TRP A 102 -18.580 1.988 -3.412 1.00 0.00 C ATOM 1636 C TRP A 102 -18.636 1.121 -2.160 1.00 0.00 C ATOM 1637 O TRP A 102 -19.183 0.020 -2.221 1.00 0.00 O ATOM 1638 CB TRP A 102 -17.206 1.865 -4.079 1.00 0.00 C ATOM 1639 CG TRP A 102 -16.856 0.491 -4.565 1.00 0.00 C ATOM 1640 CD1 TRP A 102 -17.697 -0.337 -5.217 1.00 0.00 C ATOM 1641 CD2 TRP A 102 -15.587 -0.223 -4.492 1.00 0.00 C ATOM 1642 NE1 TRP A 102 -17.020 -1.466 -5.623 1.00 0.00 N ATOM 1643 CE2 TRP A 102 -15.694 -1.425 -5.248 1.00 0.00 C ATOM 1644 CE3 TRP A 102 -14.358 0.016 -3.849 1.00 0.00 C ATOM 1645 CZ2 TRP A 102 -14.605 -2.290 -5.437 1.00 0.00 C ATOM 1646 CZ3 TRP A 102 -13.246 -0.827 -4.054 1.00 0.00 C ATOM 1647 CH2 TRP A 102 -13.357 -1.969 -4.869 1.00 0.00 C ATOM 0 H TRP A 102 -18.049 3.908 -2.799 1.00 0.00 H new ATOM 0 HA TRP A 102 -19.346 1.632 -4.101 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -17.166 2.553 -4.923 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -16.444 2.187 -3.369 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -18.745 -0.144 -5.394 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -17.447 -2.237 -6.137 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -14.265 0.862 -3.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -14.723 -3.195 -6.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -12.303 -0.595 -3.582 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -12.495 -2.592 -5.057 1.00 0.00 H new ATOM 1658 N LEU A 103 -18.013 1.580 -1.068 1.00 0.00 N ATOM 1659 CA LEU A 103 -17.964 0.888 0.217 1.00 0.00 C ATOM 1660 C LEU A 103 -18.929 1.562 1.183 1.00 0.00 C ATOM 1661 O LEU A 103 -19.050 2.784 1.181 1.00 0.00 O ATOM 1662 CB LEU A 103 -16.542 0.959 0.824 1.00 0.00 C ATOM 1663 CG LEU A 103 -15.617 -0.221 0.503 1.00 0.00 C ATOM 1664 CD1 LEU A 103 -14.203 0.038 1.023 1.00 0.00 C ATOM 1665 CD2 LEU A 103 -16.096 -1.515 1.179 1.00 0.00 C ATOM 0 H LEU A 103 -17.515 2.470 -1.058 1.00 0.00 H new ATOM 0 HA LEU A 103 -18.237 -0.155 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -16.065 1.875 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -16.634 1.039 1.907 1.00 0.00 H new ATOM 0 HG LEU A 103 -15.628 -0.327 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.566 -0.813 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.801 0.936 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.232 0.176 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -15.416 -2.329 0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -16.113 -1.376 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -17.099 -1.759 0.828 1.00 0.00 H new ATOM 1677 N SER A 104 -19.549 0.769 2.051 1.00 0.00 N ATOM 1678 CA SER A 104 -20.489 1.234 3.067 1.00 0.00 C ATOM 1679 C SER A 104 -20.273 0.417 4.346 1.00 0.00 C ATOM 1680 O SER A 104 -19.862 -0.741 4.243 1.00 0.00 O ATOM 1681 CB SER A 104 -21.927 1.019 2.590 1.00 0.00 C ATOM 1682 OG SER A 104 -22.203 1.437 1.263 1.00 0.00 O ATOM 0 H SER A 104 -19.408 -0.241 2.068 1.00 0.00 H new ATOM 0 HA SER A 104 -20.323 2.295 3.252 1.00 0.00 H new ATOM 0 HB2 SER A 104 -22.164 -0.042 2.674 1.00 0.00 H new ATOM 0 HB3 SER A 104 -22.598 1.550 3.266 1.00 0.00 H new ATOM 0 HG SER A 104 -23.143 1.257 1.052 1.00 0.00 H new ATOM 1688 N LEU A 105 -20.571 0.947 5.539 1.00 0.00 N ATOM 1689 CA LEU A 105 -20.409 0.230 6.812 1.00 0.00 C ATOM 1690 C LEU A 105 -21.615 0.456 7.721 1.00 0.00 C ATOM 1691 O LEU A 105 -22.149 1.566 7.794 1.00 0.00 O ATOM 1692 CB LEU A 105 -19.078 0.595 7.496 1.00 0.00 C ATOM 1693 CG LEU A 105 -19.012 2.032 8.048 1.00 0.00 C ATOM 1694 CD1 LEU A 105 -19.336 2.093 9.552 1.00 0.00 C ATOM 1695 CD2 LEU A 105 -17.622 2.644 7.837 1.00 0.00 C ATOM 0 H LEU A 105 -20.934 1.894 5.650 1.00 0.00 H new ATOM 0 HA LEU A 105 -20.365 -0.838 6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -18.902 -0.103 8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -18.267 0.457 6.780 1.00 0.00 H new ATOM 0 HG LEU A 105 -19.762 2.599 7.496 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -19.277 3.126 9.895 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -20.342 1.711 9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -18.619 1.486 10.104 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -17.606 3.658 8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -16.876 2.039 8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -17.394 2.670 6.771 1.00 0.00 H new ATOM 1707 N HIS A 106 -22.052 -0.588 8.433 1.00 0.00 N ATOM 1708 CA HIS A 106 -23.194 -0.518 9.329 1.00 0.00 C ATOM 1709 C HIS A 106 -23.074 -1.454 10.528 1.00 0.00 C ATOM 1710 O HIS A 106 -22.467 -2.522 10.458 1.00 0.00 O ATOM 1711 CB HIS A 106 -24.472 -0.800 8.537 1.00 0.00 C ATOM 1712 CG HIS A 106 -24.531 -2.110 7.800 1.00 0.00 C ATOM 1713 ND1 HIS A 106 -25.319 -3.184 8.130 1.00 0.00 N ATOM 1714 CD2 HIS A 106 -23.932 -2.378 6.600 1.00 0.00 C ATOM 1715 CE1 HIS A 106 -25.199 -4.094 7.150 1.00 0.00 C ATOM 1716 NE2 HIS A 106 -24.399 -3.625 6.179 1.00 0.00 N ATOM 0 H HIS A 106 -21.615 -1.509 8.398 1.00 0.00 H new ATOM 0 HA HIS A 106 -23.229 0.489 9.744 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -25.316 -0.758 9.225 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -24.610 0.004 7.814 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -23.231 -1.745 6.077 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -25.677 -5.063 7.144 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -24.175 -4.091 5.300 1.00 0.00 H new ATOM 1724 N ARG A 107 -23.709 -1.068 11.633 1.00 0.00 N ATOM 1725 CA ARG A 107 -23.742 -1.810 12.883 1.00 0.00 C ATOM 1726 C ARG A 107 -25.124 -2.431 13.001 1.00 0.00 C ATOM 1727 O ARG A 107 -26.138 -1.785 12.734 1.00 0.00 O ATOM 1728 CB ARG A 107 -23.393 -0.874 14.059 1.00 0.00 C ATOM 1729 CG ARG A 107 -22.131 -1.340 14.804 1.00 0.00 C ATOM 1730 CD ARG A 107 -22.399 -2.441 15.840 1.00 0.00 C ATOM 1731 NE ARG A 107 -23.036 -1.891 17.051 1.00 0.00 N ATOM 1732 CZ ARG A 107 -22.425 -1.221 18.033 1.00 0.00 C ATOM 1733 NH1 ARG A 107 -21.108 -1.057 18.026 1.00 0.00 N ATOM 1734 NH2 ARG A 107 -23.143 -0.659 18.998 1.00 0.00 N ATOM 0 H ARG A 107 -24.234 -0.195 11.679 1.00 0.00 H new ATOM 0 HA ARG A 107 -22.999 -2.607 12.905 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -23.241 0.139 13.685 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -24.232 -0.835 14.754 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -21.405 -1.705 14.078 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -21.678 -0.484 15.305 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -23.041 -3.206 15.404 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -21.461 -2.927 16.108 1.00 0.00 H new ATOM 0 HE ARG A 107 -24.041 -2.036 17.149 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -20.550 -1.444 17.265 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -20.654 -0.544 18.781 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -24.160 -0.739 18.990 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -22.678 -0.147 19.748 1.00 0.00 H new ATOM 1748 N ILE A 108 -25.161 -3.696 13.381 1.00 0.00 N ATOM 1749 CA ILE A 108 -26.331 -4.536 13.573 1.00 0.00 C ATOM 1750 C ILE A 108 -26.363 -4.878 15.054 1.00 0.00 C ATOM 1751 O ILE A 108 -25.320 -4.894 15.713 1.00 0.00 O ATOM 1752 CB ILE A 108 -26.191 -5.823 12.722 1.00 0.00 C ATOM 1753 CG1 ILE A 108 -25.844 -5.528 11.251 1.00 0.00 C ATOM 1754 CG2 ILE A 108 -27.411 -6.762 12.794 1.00 0.00 C ATOM 1755 CD1 ILE A 108 -26.844 -4.614 10.531 1.00 0.00 C ATOM 0 H ILE A 108 -24.300 -4.205 13.580 1.00 0.00 H new ATOM 0 HA ILE A 108 -27.249 -4.035 13.266 1.00 0.00 H new ATOM 0 HB ILE A 108 -25.354 -6.350 13.180 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -24.856 -5.069 11.209 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -25.780 -6.472 10.710 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -27.233 -7.638 12.171 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -27.568 -7.076 13.826 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -28.296 -6.236 12.436 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -26.521 -4.460 9.501 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -27.830 -5.078 10.536 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -26.893 -3.653 11.043 1.00 0.00 H new ATOM 1767 N ARG A 109 -27.541 -5.223 15.579 1.00 0.00 N ATOM 1768 CA ARG A 109 -27.734 -5.589 16.986 1.00 0.00 C ATOM 1769 C ARG A 109 -26.717 -6.612 17.505 1.00 0.00 C ATOM 1770 O ARG A 109 -26.401 -6.581 18.694 1.00 0.00 O ATOM 1771 CB ARG A 109 -29.178 -6.089 17.198 1.00 0.00 C ATOM 1772 CG ARG A 109 -29.515 -7.396 16.443 1.00 0.00 C ATOM 1773 CD ARG A 109 -31.005 -7.772 16.503 1.00 0.00 C ATOM 1774 NE ARG A 109 -31.876 -6.734 15.922 1.00 0.00 N ATOM 1775 CZ ARG A 109 -31.920 -6.344 14.642 1.00 0.00 C ATOM 1776 NH1 ARG A 109 -31.396 -7.082 13.672 1.00 0.00 N ATOM 1777 NH2 ARG A 109 -32.481 -5.188 14.317 1.00 0.00 N ATOM 0 H ARG A 109 -28.401 -5.257 15.031 1.00 0.00 H new ATOM 0 HA ARG A 109 -27.563 -4.687 17.574 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -29.343 -6.246 18.264 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -29.871 -5.310 16.879 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -29.217 -7.291 15.400 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -28.925 -8.211 16.863 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -31.161 -8.711 15.971 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -31.291 -7.942 17.541 1.00 0.00 H new ATOM 0 HE ARG A 109 -32.513 -6.263 16.564 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -30.946 -7.970 13.893 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -31.443 -6.761 12.705 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -32.881 -4.593 15.043 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -32.513 -4.893 13.341 1.00 0.00 H new ATOM 1791 N THR A 110 -26.186 -7.467 16.630 1.00 0.00 N ATOM 1792 CA THR A 110 -25.242 -8.514 16.974 1.00 0.00 C ATOM 1793 C THR A 110 -23.797 -8.263 16.522 1.00 0.00 C ATOM 1794 O THR A 110 -22.902 -8.913 17.071 1.00 0.00 O ATOM 1795 CB THR A 110 -25.831 -9.806 16.356 1.00 0.00 C ATOM 1796 OG1 THR A 110 -25.577 -10.942 17.141 1.00 0.00 O ATOM 1797 CG2 THR A 110 -25.436 -10.083 14.900 1.00 0.00 C ATOM 0 H THR A 110 -26.412 -7.444 15.636 1.00 0.00 H new ATOM 0 HA THR A 110 -25.138 -8.573 18.057 1.00 0.00 H new ATOM 0 HB THR A 110 -26.902 -9.603 16.344 1.00 0.00 H new ATOM 0 HG1 THR A 110 -25.969 -11.731 16.711 1.00 0.00 H new ATOM 0 HG21 THR A 110 -25.902 -11.010 14.567 1.00 0.00 H new ATOM 0 HG22 THR A 110 -25.772 -9.260 14.269 1.00 0.00 H new ATOM 0 HG23 THR A 110 -24.352 -10.175 14.828 1.00 0.00 H new ATOM 1805 N ASP A 111 -23.530 -7.376 15.546 1.00 0.00 N ATOM 1806 CA ASP A 111 -22.151 -7.165 15.062 1.00 0.00 C ATOM 1807 C ASP A 111 -22.056 -6.013 14.056 1.00 0.00 C ATOM 1808 O ASP A 111 -23.064 -5.404 13.714 1.00 0.00 O ATOM 1809 CB ASP A 111 -21.622 -8.456 14.378 1.00 0.00 C ATOM 1810 CG ASP A 111 -20.191 -8.776 14.786 1.00 0.00 C ATOM 1811 OD1 ASP A 111 -19.363 -7.841 14.863 1.00 0.00 O ATOM 1812 OD2 ASP A 111 -19.878 -9.964 15.032 1.00 0.00 O ATOM 0 H ASP A 111 -24.236 -6.803 15.083 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.548 -6.913 15.934 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -22.268 -9.294 14.638 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -21.672 -8.339 13.295 1.00 0.00 H new ATOM 1817 N THR A 112 -20.862 -5.710 13.561 1.00 0.00 N ATOM 1818 CA THR A 112 -20.550 -4.671 12.589 1.00 0.00 C ATOM 1819 C THR A 112 -20.296 -5.366 11.248 1.00 0.00 C ATOM 1820 O THR A 112 -19.642 -6.414 11.205 1.00 0.00 O ATOM 1821 CB THR A 112 -19.327 -3.860 13.060 1.00 0.00 C ATOM 1822 OG1 THR A 112 -19.462 -3.497 14.417 1.00 0.00 O ATOM 1823 CG2 THR A 112 -19.171 -2.577 12.236 1.00 0.00 C ATOM 0 H THR A 112 -20.028 -6.221 13.849 1.00 0.00 H new ATOM 0 HA THR A 112 -21.372 -3.964 12.482 1.00 0.00 H new ATOM 0 HB THR A 112 -18.450 -4.493 12.928 1.00 0.00 H new ATOM 0 HG1 THR A 112 -18.676 -2.984 14.698 1.00 0.00 H new ATOM 0 HG21 THR A 112 -18.301 -2.022 12.588 1.00 0.00 H new ATOM 0 HG22 THR A 112 -19.037 -2.834 11.185 1.00 0.00 H new ATOM 0 HG23 THR A 112 -20.064 -1.962 12.349 1.00 0.00 H new ATOM 1831 N TYR A 113 -20.788 -4.786 10.154 1.00 0.00 N ATOM 1832 CA TYR A 113 -20.671 -5.308 8.799 1.00 0.00 C ATOM 1833 C TYR A 113 -20.368 -4.183 7.802 1.00 0.00 C ATOM 1834 O TYR A 113 -20.476 -3.000 8.135 1.00 0.00 O ATOM 1835 CB TYR A 113 -21.986 -6.013 8.422 1.00 0.00 C ATOM 1836 CG TYR A 113 -22.401 -7.195 9.291 1.00 0.00 C ATOM 1837 CD1 TYR A 113 -22.959 -6.984 10.561 1.00 0.00 C ATOM 1838 CD2 TYR A 113 -22.225 -8.516 8.837 1.00 0.00 C ATOM 1839 CE1 TYR A 113 -23.384 -8.063 11.349 1.00 0.00 C ATOM 1840 CE2 TYR A 113 -22.573 -9.608 9.653 1.00 0.00 C ATOM 1841 CZ TYR A 113 -23.179 -9.384 10.909 1.00 0.00 C ATOM 1842 OH TYR A 113 -23.608 -10.411 11.685 1.00 0.00 O ATOM 0 H TYR A 113 -21.299 -3.904 10.192 1.00 0.00 H new ATOM 0 HA TYR A 113 -19.845 -6.018 8.760 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -22.787 -5.275 8.446 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -21.903 -6.360 7.392 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -23.063 -5.977 10.937 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -21.819 -8.693 7.852 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -23.870 -7.880 12.296 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -22.377 -10.616 9.319 1.00 0.00 H new ATOM 0 HH TYR A 113 -23.396 -11.262 11.248 1.00 0.00 H new ATOM 1852 N VAL A 114 -19.990 -4.546 6.578 1.00 0.00 N ATOM 1853 CA VAL A 114 -19.675 -3.637 5.480 1.00 0.00 C ATOM 1854 C VAL A 114 -20.442 -4.152 4.262 1.00 0.00 C ATOM 1855 O VAL A 114 -20.807 -5.333 4.194 1.00 0.00 O ATOM 1856 CB VAL A 114 -18.137 -3.573 5.272 1.00 0.00 C ATOM 1857 CG1 VAL A 114 -17.639 -3.590 3.819 1.00 0.00 C ATOM 1858 CG2 VAL A 114 -17.531 -2.329 5.935 1.00 0.00 C ATOM 0 H VAL A 114 -19.891 -5.526 6.314 1.00 0.00 H new ATOM 0 HA VAL A 114 -19.980 -2.610 5.680 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.805 -4.501 5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.550 -3.541 3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -17.966 -4.509 3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -18.047 -2.732 3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -16.454 -2.317 5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -17.975 -1.433 5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -17.733 -2.352 7.006 1.00 0.00 H new ATOM 1868 N LYS A 115 -20.737 -3.263 3.319 1.00 0.00 N ATOM 1869 CA LYS A 115 -21.436 -3.540 2.073 1.00 0.00 C ATOM 1870 C LYS A 115 -20.592 -2.986 0.936 1.00 0.00 C ATOM 1871 O LYS A 115 -19.785 -2.081 1.160 1.00 0.00 O ATOM 1872 CB LYS A 115 -22.835 -2.925 2.065 1.00 0.00 C ATOM 1873 CG LYS A 115 -23.887 -3.981 2.427 1.00 0.00 C ATOM 1874 CD LYS A 115 -25.268 -3.492 2.008 1.00 0.00 C ATOM 1875 CE LYS A 115 -25.485 -3.703 0.504 1.00 0.00 C ATOM 1876 NZ LYS A 115 -26.600 -2.892 -0.022 1.00 0.00 N ATOM 0 H LYS A 115 -20.481 -2.280 3.410 1.00 0.00 H new ATOM 0 HA LYS A 115 -21.571 -4.615 1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -22.880 -2.100 2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -23.051 -2.510 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -23.657 -4.923 1.929 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -23.869 -4.174 3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -26.034 -4.026 2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -25.374 -2.435 2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -24.570 -3.449 -0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -25.684 -4.757 0.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -26.707 -3.069 -1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -27.479 -3.151 0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -26.400 -1.884 0.135 1.00 0.00 H new ATOM 1890 N LEU A 116 -20.780 -3.519 -0.273 1.00 0.00 N ATOM 1891 CA LEU A 116 -20.046 -3.071 -1.444 1.00 0.00 C ATOM 1892 C LEU A 116 -20.875 -3.244 -2.707 1.00 0.00 C ATOM 1893 O LEU A 116 -21.577 -4.250 -2.844 1.00 0.00 O ATOM 1894 CB LEU A 116 -18.775 -3.910 -1.601 1.00 0.00 C ATOM 1895 CG LEU A 116 -17.825 -3.296 -2.648 1.00 0.00 C ATOM 1896 CD1 LEU A 116 -16.700 -2.567 -1.934 1.00 0.00 C ATOM 1897 CD2 LEU A 116 -17.366 -4.352 -3.655 1.00 0.00 C ATOM 0 H LEU A 116 -21.444 -4.270 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 116 -19.807 -2.017 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -18.264 -3.983 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -19.041 -4.924 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 116 -18.345 -2.550 -3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -16.025 -2.131 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -17.117 -1.776 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -16.150 -3.270 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.697 -3.894 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.840 -5.150 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -18.233 -4.766 -4.169 1.00 0.00 H new ATOM 1909 N ASP A 117 -20.749 -2.312 -3.651 1.00 0.00 N ATOM 1910 CA ASP A 117 -21.453 -2.370 -4.918 1.00 0.00 C ATOM 1911 C ASP A 117 -20.525 -3.001 -5.942 1.00 0.00 C ATOM 1912 O ASP A 117 -19.718 -2.346 -6.599 1.00 0.00 O ATOM 1913 CB ASP A 117 -21.943 -0.983 -5.352 1.00 0.00 C ATOM 1914 CG ASP A 117 -23.345 -0.755 -4.818 1.00 0.00 C ATOM 1915 OD1 ASP A 117 -24.246 -1.520 -5.222 1.00 0.00 O ATOM 1916 OD2 ASP A 117 -23.548 0.146 -3.972 1.00 0.00 O ATOM 0 H ASP A 117 -20.150 -1.493 -3.551 1.00 0.00 H new ATOM 0 HA ASP A 117 -22.350 -2.981 -4.821 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -21.269 -0.213 -4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -21.939 -0.907 -6.439 1.00 0.00 H new ATOM 1921 N LYS A 118 -20.655 -4.314 -6.120 1.00 0.00 N ATOM 1922 CA LYS A 118 -19.850 -5.074 -7.061 1.00 0.00 C ATOM 1923 C LYS A 118 -20.150 -4.778 -8.528 1.00 0.00 C ATOM 1924 O LYS A 118 -19.391 -5.272 -9.362 1.00 0.00 O ATOM 1925 CB LYS A 118 -20.089 -6.563 -6.773 1.00 0.00 C ATOM 1926 CG LYS A 118 -19.103 -7.119 -5.749 1.00 0.00 C ATOM 1927 CD LYS A 118 -17.638 -7.175 -6.228 1.00 0.00 C ATOM 1928 CE LYS A 118 -17.418 -8.039 -7.482 1.00 0.00 C ATOM 1929 NZ LYS A 118 -17.654 -7.371 -8.785 1.00 0.00 N ATOM 0 H LYS A 118 -21.330 -4.882 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 118 -18.809 -4.784 -6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -21.106 -6.702 -6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -20.004 -7.129 -7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -19.153 -6.508 -4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -19.418 -8.124 -5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -17.296 -6.161 -6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -17.018 -7.562 -5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -16.393 -8.410 -7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -18.073 -8.908 -7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -18.180 -8.012 -9.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -18.206 -6.503 -8.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -16.742 -7.130 -9.222 1.00 0.00 H new ATOM 1943 N ALA A 119 -21.208 -4.036 -8.846 1.00 0.00 N ATOM 1944 CA ALA A 119 -21.559 -3.737 -10.228 1.00 0.00 C ATOM 1945 C ALA A 119 -20.819 -2.526 -10.802 1.00 0.00 C ATOM 1946 O ALA A 119 -20.803 -2.366 -12.024 1.00 0.00 O ATOM 1947 CB ALA A 119 -23.071 -3.509 -10.311 1.00 0.00 C ATOM 0 H ALA A 119 -21.841 -3.629 -8.157 1.00 0.00 H new ATOM 0 HA ALA A 119 -21.253 -4.591 -10.832 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -23.349 -3.284 -11.341 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -23.593 -4.408 -9.982 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -23.349 -2.673 -9.669 1.00 0.00 H new ATOM 1953 N VAL A 120 -20.218 -1.677 -9.960 1.00 0.00 N ATOM 1954 CA VAL A 120 -19.521 -0.487 -10.441 1.00 0.00 C ATOM 1955 C VAL A 120 -18.387 -0.868 -11.401 1.00 0.00 C ATOM 1956 O VAL A 120 -17.722 -1.894 -11.217 1.00 0.00 O ATOM 1957 CB VAL A 120 -19.053 0.354 -9.237 1.00 0.00 C ATOM 1958 CG1 VAL A 120 -17.833 -0.260 -8.547 1.00 0.00 C ATOM 1959 CG2 VAL A 120 -18.742 1.802 -9.634 1.00 0.00 C ATOM 0 H VAL A 120 -20.202 -1.794 -8.947 1.00 0.00 H new ATOM 0 HA VAL A 120 -20.201 0.135 -11.023 1.00 0.00 H new ATOM 0 HB VAL A 120 -19.885 0.357 -8.533 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -17.538 0.366 -7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -18.082 -1.258 -8.188 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -17.008 -0.325 -9.257 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -18.416 2.358 -8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -17.951 1.812 -10.384 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -19.638 2.267 -10.046 1.00 0.00 H new ATOM 1969 N ASP A 121 -18.162 -0.050 -12.430 1.00 0.00 N ATOM 1970 CA ASP A 121 -17.114 -0.267 -13.419 1.00 0.00 C ATOM 1971 C ASP A 121 -15.779 0.068 -12.755 1.00 0.00 C ATOM 1972 O ASP A 121 -15.368 1.227 -12.667 1.00 0.00 O ATOM 1973 CB ASP A 121 -17.389 0.534 -14.713 1.00 0.00 C ATOM 1974 CG ASP A 121 -17.747 -0.338 -15.925 1.00 0.00 C ATOM 1975 OD1 ASP A 121 -17.794 -1.588 -15.808 1.00 0.00 O ATOM 1976 OD2 ASP A 121 -17.882 0.217 -17.038 1.00 0.00 O ATOM 0 H ASP A 121 -18.712 0.792 -12.599 1.00 0.00 H new ATOM 0 HA ASP A 121 -17.087 -1.307 -13.744 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -18.204 1.233 -14.528 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -16.508 1.128 -14.954 1.00 0.00 H new ATOM 1981 N LEU A 122 -15.096 -0.969 -12.265 1.00 0.00 N ATOM 1982 CA LEU A 122 -13.816 -0.871 -11.568 1.00 0.00 C ATOM 1983 C LEU A 122 -12.746 -0.159 -12.394 1.00 0.00 C ATOM 1984 O LEU A 122 -11.914 0.528 -11.816 1.00 0.00 O ATOM 1985 CB LEU A 122 -13.339 -2.271 -11.140 1.00 0.00 C ATOM 1986 CG LEU A 122 -12.608 -2.351 -9.783 1.00 0.00 C ATOM 1987 CD1 LEU A 122 -11.358 -1.487 -9.626 1.00 0.00 C ATOM 1988 CD2 LEU A 122 -13.536 -2.066 -8.607 1.00 0.00 C ATOM 0 H LEU A 122 -15.431 -1.929 -12.346 1.00 0.00 H new ATOM 0 HA LEU A 122 -13.977 -0.259 -10.681 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -14.204 -2.933 -11.104 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -12.674 -2.658 -11.912 1.00 0.00 H new ATOM 0 HG LEU A 122 -12.268 -3.387 -9.776 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -10.938 -1.632 -8.631 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -10.621 -1.773 -10.376 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.622 -0.438 -9.759 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -12.974 -2.135 -7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -13.952 -1.064 -8.707 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.345 -2.796 -8.597 1.00 0.00 H new ATOM 2000 N ALA A 123 -12.748 -0.286 -13.723 1.00 0.00 N ATOM 2001 CA ALA A 123 -11.758 0.368 -14.571 1.00 0.00 C ATOM 2002 C ALA A 123 -11.739 1.883 -14.328 1.00 0.00 C ATOM 2003 O ALA A 123 -10.657 2.477 -14.249 1.00 0.00 O ATOM 2004 CB ALA A 123 -12.052 0.057 -16.042 1.00 0.00 C ATOM 0 H ALA A 123 -13.433 -0.842 -14.236 1.00 0.00 H new ATOM 0 HA ALA A 123 -10.771 -0.018 -14.318 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -11.310 0.547 -16.673 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -12.009 -1.020 -16.202 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -13.046 0.423 -16.300 1.00 0.00 H new ATOM 2010 N GLY A 124 -12.919 2.505 -14.223 1.00 0.00 N ATOM 2011 CA GLY A 124 -13.031 3.937 -13.989 1.00 0.00 C ATOM 2012 C GLY A 124 -12.525 4.277 -12.593 1.00 0.00 C ATOM 2013 O GLY A 124 -11.892 5.320 -12.406 1.00 0.00 O ATOM 0 H GLY A 124 -13.816 2.026 -14.299 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -12.455 4.482 -14.737 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -14.069 4.251 -14.095 1.00 0.00 H new ATOM 2017 N LEU A 125 -12.777 3.385 -11.625 1.00 0.00 N ATOM 2018 CA LEU A 125 -12.340 3.557 -10.247 1.00 0.00 C ATOM 2019 C LEU A 125 -10.816 3.529 -10.223 1.00 0.00 C ATOM 2020 O LEU A 125 -10.215 4.463 -9.704 1.00 0.00 O ATOM 2021 CB LEU A 125 -12.982 2.547 -9.284 1.00 0.00 C ATOM 2022 CG LEU A 125 -14.523 2.616 -9.234 1.00 0.00 C ATOM 2023 CD1 LEU A 125 -15.044 1.834 -8.031 1.00 0.00 C ATOM 2024 CD2 LEU A 125 -15.069 4.042 -9.165 1.00 0.00 C ATOM 0 H LEU A 125 -13.294 2.520 -11.785 1.00 0.00 H new ATOM 0 HA LEU A 125 -12.683 4.523 -9.877 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.683 1.541 -9.578 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -12.589 2.716 -8.282 1.00 0.00 H new ATOM 0 HG LEU A 125 -14.873 2.177 -10.168 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -16.132 1.889 -8.005 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -14.735 0.792 -8.113 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -14.637 2.262 -7.115 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -16.158 4.013 -9.133 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -14.692 4.533 -8.268 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -14.747 4.598 -10.045 1.00 0.00 H new ATOM 2036 N THR A 126 -10.172 2.518 -10.822 1.00 0.00 N ATOM 2037 CA THR A 126 -8.711 2.440 -10.864 1.00 0.00 C ATOM 2038 C THR A 126 -8.092 3.719 -11.446 1.00 0.00 C ATOM 2039 O THR A 126 -7.069 4.181 -10.934 1.00 0.00 O ATOM 2040 CB THR A 126 -8.264 1.187 -11.637 1.00 0.00 C ATOM 2041 OG1 THR A 126 -8.920 0.054 -11.117 1.00 0.00 O ATOM 2042 CG2 THR A 126 -6.765 0.960 -11.441 1.00 0.00 C ATOM 0 H THR A 126 -10.645 1.742 -11.285 1.00 0.00 H new ATOM 0 HA THR A 126 -8.346 2.354 -9.841 1.00 0.00 H new ATOM 0 HB THR A 126 -8.501 1.333 -12.691 1.00 0.00 H new ATOM 0 HG1 THR A 126 -8.636 -0.744 -11.611 1.00 0.00 H new ATOM 0 HG21 THR A 126 -6.457 0.071 -11.991 1.00 0.00 H new ATOM 0 HG22 THR A 126 -6.215 1.825 -11.811 1.00 0.00 H new ATOM 0 HG23 THR A 126 -6.554 0.822 -10.381 1.00 0.00 H new ATOM 2050 N ALA A 127 -8.707 4.304 -12.483 1.00 0.00 N ATOM 2051 CA ALA A 127 -8.197 5.532 -13.077 1.00 0.00 C ATOM 2052 C ALA A 127 -8.219 6.660 -12.033 1.00 0.00 C ATOM 2053 O ALA A 127 -7.159 7.174 -11.669 1.00 0.00 O ATOM 2054 CB ALA A 127 -8.984 5.881 -14.344 1.00 0.00 C ATOM 0 H ALA A 127 -9.554 3.943 -12.921 1.00 0.00 H new ATOM 0 HA ALA A 127 -7.160 5.392 -13.384 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.590 6.801 -14.775 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -8.887 5.071 -15.067 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.036 6.019 -14.093 1.00 0.00 H new ATOM 2060 N ARG A 128 -9.403 7.021 -11.508 1.00 0.00 N ATOM 2061 CA ARG A 128 -9.510 8.095 -10.511 1.00 0.00 C ATOM 2062 C ARG A 128 -8.636 7.837 -9.279 1.00 0.00 C ATOM 2063 O ARG A 128 -8.112 8.798 -8.709 1.00 0.00 O ATOM 2064 CB ARG A 128 -10.978 8.433 -10.172 1.00 0.00 C ATOM 2065 CG ARG A 128 -11.753 7.329 -9.444 1.00 0.00 C ATOM 2066 CD ARG A 128 -13.193 7.724 -9.078 1.00 0.00 C ATOM 2067 NE ARG A 128 -14.148 7.536 -10.184 1.00 0.00 N ATOM 2068 CZ ARG A 128 -15.443 7.213 -10.029 1.00 0.00 C ATOM 2069 NH1 ARG A 128 -16.021 7.195 -8.828 1.00 0.00 N ATOM 2070 NH2 ARG A 128 -16.154 6.862 -11.093 1.00 0.00 N ATOM 0 H ARG A 128 -10.292 6.587 -11.757 1.00 0.00 H new ATOM 0 HA ARG A 128 -9.102 8.997 -10.968 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -10.994 9.332 -9.556 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -11.502 8.672 -11.098 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -11.778 6.439 -10.073 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -11.217 7.060 -8.534 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -13.518 7.133 -8.222 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -13.208 8.769 -8.768 1.00 0.00 H new ATOM 0 HE ARG A 128 -13.801 7.660 -11.135 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -15.478 7.430 -7.997 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -17.006 6.946 -8.740 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -15.716 6.840 -12.014 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -17.138 6.614 -10.990 1.00 0.00 H new ATOM 2084 N LEU A 129 -8.435 6.571 -8.893 1.00 0.00 N ATOM 2085 CA LEU A 129 -7.614 6.159 -7.757 1.00 0.00 C ATOM 2086 C LEU A 129 -6.197 6.705 -7.947 1.00 0.00 C ATOM 2087 O LEU A 129 -5.745 7.534 -7.156 1.00 0.00 O ATOM 2088 CB LEU A 129 -7.636 4.620 -7.621 1.00 0.00 C ATOM 2089 CG LEU A 129 -7.237 4.023 -6.257 1.00 0.00 C ATOM 2090 CD1 LEU A 129 -6.991 2.520 -6.453 1.00 0.00 C ATOM 2091 CD2 LEU A 129 -6.002 4.632 -5.597 1.00 0.00 C ATOM 0 H LEU A 129 -8.856 5.781 -9.382 1.00 0.00 H new ATOM 0 HA LEU A 129 -8.013 6.567 -6.828 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -8.642 4.275 -7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -6.970 4.205 -8.378 1.00 0.00 H new ATOM 0 HG LEU A 129 -8.063 4.247 -5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -6.706 2.071 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -7.902 2.047 -6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -6.190 2.374 -7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -5.816 4.135 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -5.139 4.501 -6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -6.168 5.695 -5.425 1.00 0.00 H new ATOM 2103 N ALA A 130 -5.512 6.251 -9.001 1.00 0.00 N ATOM 2104 CA ALA A 130 -4.147 6.654 -9.323 1.00 0.00 C ATOM 2105 C ALA A 130 -4.023 8.123 -9.740 1.00 0.00 C ATOM 2106 O ALA A 130 -2.919 8.658 -9.749 1.00 0.00 O ATOM 2107 CB ALA A 130 -3.622 5.759 -10.450 1.00 0.00 C ATOM 0 H ALA A 130 -5.901 5.581 -9.664 1.00 0.00 H new ATOM 0 HA ALA A 130 -3.556 6.540 -8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -2.602 6.050 -10.700 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -3.633 4.719 -10.124 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -4.257 5.870 -11.329 1.00 0.00 H new ATOM 2113 N HIS A 131 -5.127 8.785 -10.093 1.00 0.00 N ATOM 2114 CA HIS A 131 -5.099 10.181 -10.507 1.00 0.00 C ATOM 2115 C HIS A 131 -5.013 11.145 -9.320 1.00 0.00 C ATOM 2116 O HIS A 131 -4.771 12.324 -9.557 1.00 0.00 O ATOM 2117 CB HIS A 131 -6.313 10.503 -11.386 1.00 0.00 C ATOM 2118 CG HIS A 131 -6.304 9.913 -12.776 1.00 0.00 C ATOM 2119 ND1 HIS A 131 -7.350 9.981 -13.668 1.00 0.00 N ATOM 2120 CD2 HIS A 131 -5.254 9.314 -13.419 1.00 0.00 C ATOM 2121 CE1 HIS A 131 -6.931 9.465 -14.834 1.00 0.00 C ATOM 2122 NE2 HIS A 131 -5.657 9.037 -14.734 1.00 0.00 N ATOM 0 H HIS A 131 -6.058 8.368 -10.099 1.00 0.00 H new ATOM 0 HA HIS A 131 -4.190 10.324 -11.092 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -7.210 10.156 -10.872 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -6.395 11.586 -11.474 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -4.288 9.094 -12.990 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -7.532 9.402 -15.729 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -5.098 8.600 -15.467 1.00 0.00 H new ATOM 2130 N HIS A 132 -5.239 10.699 -8.074 1.00 0.00 N ATOM 2131 CA HIS A 132 -5.158 11.518 -6.853 1.00 0.00 C ATOM 2132 C HIS A 132 -5.928 12.859 -6.893 1.00 0.00 C ATOM 2133 O HIS A 132 -5.670 13.725 -6.063 1.00 0.00 O ATOM 2134 CB HIS A 132 -3.665 11.760 -6.545 1.00 0.00 C ATOM 2135 CG HIS A 132 -2.827 10.509 -6.471 1.00 0.00 C ATOM 2136 ND1 HIS A 132 -1.688 10.237 -7.194 1.00 0.00 N ATOM 2137 CD2 HIS A 132 -3.078 9.433 -5.671 1.00 0.00 C ATOM 2138 CE1 HIS A 132 -1.263 9.014 -6.837 1.00 0.00 C ATOM 2139 NE2 HIS A 132 -2.071 8.487 -5.896 1.00 0.00 N ATOM 0 H HIS A 132 -5.491 9.729 -7.882 1.00 0.00 H new ATOM 0 HA HIS A 132 -5.657 10.955 -6.064 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -3.251 12.414 -7.313 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -3.585 12.291 -5.597 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -3.906 9.329 -4.986 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -0.394 8.521 -7.247 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -1.969 7.581 -5.439 1.00 0.00 H new ATOM 2147 N VAL A 133 -6.904 13.031 -7.790 1.00 0.00 N ATOM 2148 CA VAL A 133 -7.676 14.265 -7.967 1.00 0.00 C ATOM 2149 C VAL A 133 -8.290 14.803 -6.674 1.00 0.00 C ATOM 2150 O VAL A 133 -8.167 15.993 -6.409 1.00 0.00 O ATOM 2151 CB VAL A 133 -8.734 14.084 -9.070 1.00 0.00 C ATOM 2152 CG1 VAL A 133 -9.365 15.421 -9.464 1.00 0.00 C ATOM 2153 CG2 VAL A 133 -8.122 13.438 -10.325 1.00 0.00 C ATOM 0 H VAL A 133 -7.187 12.292 -8.433 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.967 15.031 -8.282 1.00 0.00 H new ATOM 0 HB VAL A 133 -9.504 13.430 -8.662 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -10.108 15.257 -10.245 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -9.846 15.867 -8.594 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -8.591 16.093 -9.835 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -8.893 13.322 -11.087 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.324 14.074 -10.709 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -7.715 12.460 -10.069 1.00 0.00 H new ATOM 2163 N HIS A 134 -8.988 13.958 -5.917 1.00 0.00 N ATOM 2164 CA HIS A 134 -9.614 14.325 -4.648 1.00 0.00 C ATOM 2165 C HIS A 134 -8.939 13.579 -3.494 1.00 0.00 C ATOM 2166 O HIS A 134 -9.592 13.257 -2.503 1.00 0.00 O ATOM 2167 CB HIS A 134 -11.135 14.084 -4.717 1.00 0.00 C ATOM 2168 CG HIS A 134 -11.897 14.767 -3.606 1.00 0.00 C ATOM 2169 ND1 HIS A 134 -12.760 14.178 -2.702 1.00 0.00 N ATOM 2170 CD2 HIS A 134 -11.823 16.097 -3.302 1.00 0.00 C ATOM 2171 CE1 HIS A 134 -13.227 15.149 -1.899 1.00 0.00 C ATOM 2172 NE2 HIS A 134 -12.695 16.335 -2.239 1.00 0.00 N ATOM 0 H HIS A 134 -9.137 12.982 -6.173 1.00 0.00 H new ATOM 0 HA HIS A 134 -9.474 15.389 -4.459 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -11.509 14.439 -5.677 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -11.329 13.012 -4.676 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -11.202 16.831 -3.795 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -13.931 14.997 -1.094 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -12.891 17.236 -1.804 1.00 0.00 H new ATOM 2180 N ALA A 135 -7.714 13.093 -3.712 1.00 0.00 N ATOM 2181 CA ALA A 135 -6.993 12.362 -2.692 1.00 0.00 C ATOM 2182 C ALA A 135 -6.230 13.315 -1.796 1.00 0.00 C ATOM 2183 O ALA A 135 -5.953 14.460 -2.140 1.00 0.00 O ATOM 2184 CB ALA A 135 -6.059 11.348 -3.345 1.00 0.00 C ATOM 0 H ALA A 135 -7.208 13.198 -4.591 1.00 0.00 H new ATOM 0 HA ALA A 135 -7.705 11.821 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -5.519 10.801 -2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -6.643 10.649 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -5.347 11.869 -3.986 1.00 0.00 H new ATOM 2190 N GLU A 136 -5.850 12.746 -0.663 1.00 0.00 N ATOM 2191 CA GLU A 136 -5.113 13.415 0.403 1.00 0.00 C ATOM 2192 C GLU A 136 -3.852 12.618 0.722 1.00 0.00 C ATOM 2193 O GLU A 136 -2.828 13.177 1.109 1.00 0.00 O ATOM 2194 CB GLU A 136 -5.971 13.468 1.682 1.00 0.00 C ATOM 2195 CG GLU A 136 -7.440 13.890 1.529 1.00 0.00 C ATOM 2196 CD GLU A 136 -7.645 15.348 1.101 1.00 0.00 C ATOM 2197 OE1 GLU A 136 -6.650 16.086 0.925 1.00 0.00 O ATOM 2198 OE2 GLU A 136 -8.815 15.786 0.961 1.00 0.00 O ATOM 0 H GLU A 136 -6.053 11.769 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 136 -4.862 14.424 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -5.950 12.481 2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -5.494 14.156 2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -7.916 13.240 0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -7.951 13.729 2.478 1.00 0.00 H new ATOM 2205 N GLY A 137 -3.908 11.298 0.516 1.00 0.00 N ATOM 2206 CA GLY A 137 -2.806 10.399 0.785 1.00 0.00 C ATOM 2207 C GLY A 137 -2.958 9.679 2.124 1.00 0.00 C ATOM 2208 O GLY A 137 -1.928 9.349 2.715 1.00 0.00 O ATOM 0 H GLY A 137 -4.737 10.828 0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -2.738 9.662 -0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -1.872 10.961 0.781 1.00 0.00 H new ATOM 2212 N LEU A 138 -4.192 9.457 2.614 1.00 0.00 N ATOM 2213 CA LEU A 138 -4.472 8.755 3.876 1.00 0.00 C ATOM 2214 C LEU A 138 -3.615 7.496 3.967 1.00 0.00 C ATOM 2215 O LEU A 138 -3.098 7.249 5.076 1.00 0.00 O ATOM 2216 CB LEU A 138 -5.962 8.368 4.003 1.00 0.00 C ATOM 2217 CG LEU A 138 -6.875 9.413 4.662 1.00 0.00 C ATOM 2218 CD1 LEU A 138 -6.951 10.699 3.835 1.00 0.00 C ATOM 2219 CD2 LEU A 138 -8.280 8.825 4.800 1.00 0.00 C ATOM 0 H LEU A 138 -5.036 9.767 2.133 1.00 0.00 H new ATOM 0 HA LEU A 138 -4.230 9.437 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -6.348 8.154 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -6.029 7.443 4.576 1.00 0.00 H new ATOM 0 HG LEU A 138 -6.460 9.663 5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -7.606 11.414 4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -5.954 11.128 3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.348 10.472 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -8.937 9.559 5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.666 8.568 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -8.240 7.928 5.418 1.00 0.00 H new TER 2231 LEU A 138