USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 817 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 54 SER OG : rot -100:sc=-0.00247 USER MOD Set 1.2: A 55 MET CE :methyl -159:sc= 0 (180deg=0) USER MOD Set 2.1: A 47 TYR OH : rot 154:sc= 1.43 USER MOD Set 2.2: A 101 TYR OH : rot -129:sc= 0.956 USER MOD Set 3.1: A 13 THR OG1 : rot 127:sc= 0.609 USER MOD Set 3.2: A 16 GLN : amide:sc= -2.48! C(o=-1.9!,f=-5.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0291 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 5 HIS : no HD1:sc= -0.215 X(o=-0.22,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 7 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.054) USER MOD Single : A 8 HIS : no HD1:sc= -0.569 K(o=-0.57,f=0) USER MOD Single : A 18 SER OG : rot 68:sc= 1.21 USER MOD Single : A 19 GLN : amide:sc= -1.03 K(o=-1,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.261 K(o=-0.26,f=-8.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -36:sc= 0.972 USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= -0.0974 (180deg=-0.946!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= -0.0268 (180deg=-0.253) USER MOD Single : A 41 THR OG1 : rot 90:sc= 1.8 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -36:sc= 0.261 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -90:sc= 1.29 USER MOD Single : A 67 LYS NZ :NH3+ -125:sc= 1.26 (180deg=0.858) USER MOD Single : A 68 MET CE :methyl -165:sc= -0.0717 (180deg=-0.434) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0296 USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 1.18 (180deg=0.97) USER MOD Single : A 71 ASN : amide:sc= -3.3! C(o=-3.3!,f=-3.8!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.987 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0452 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.756 X(o=-0.76,f=-1.2) USER MOD Single : A 89 THR OG1 : rot 72:sc= 1.12 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 92:sc= 0.142 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 162:sc= -0.0838 (180deg=-0.595) USER MOD Single : A 109 SER OG : rot 42:sc= 0.794 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.948 13.584 -10.698 1.00 0.00 N ATOM 2 CA MET A 1 -14.498 14.534 -9.742 1.00 0.00 C ATOM 3 C MET A 1 -15.292 13.775 -8.695 1.00 0.00 C ATOM 4 O MET A 1 -16.039 12.854 -9.026 1.00 0.00 O ATOM 5 CB MET A 1 -15.397 15.548 -10.460 1.00 0.00 C ATOM 6 CG MET A 1 -15.982 16.617 -9.555 1.00 0.00 C ATOM 7 SD MET A 1 -17.051 17.766 -10.441 1.00 0.00 S ATOM 8 CE MET A 1 -17.558 18.842 -9.101 1.00 0.00 C ATOM 0 H1 MET A 1 -14.109 13.932 -11.665 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.927 13.478 -10.534 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.415 12.662 -10.579 1.00 0.00 H new ATOM 0 HA MET A 1 -13.687 15.079 -9.260 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.821 16.032 -11.249 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.213 15.013 -10.945 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.550 16.140 -8.756 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.171 17.172 -9.083 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.227 19.612 -9.486 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.077 18.257 -8.341 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.679 19.312 -8.660 1.00 0.00 H new ATOM 20 N GLY A 2 -15.123 14.139 -7.450 1.00 0.00 N ATOM 21 CA GLY A 2 -15.826 13.479 -6.389 1.00 0.00 C ATOM 22 C GLY A 2 -15.106 13.626 -5.083 1.00 0.00 C ATOM 23 O GLY A 2 -15.361 14.568 -4.342 1.00 0.00 O ATOM 0 H GLY A 2 -14.503 14.891 -7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -16.830 13.895 -6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -15.938 12.421 -6.627 1.00 0.00 H new ATOM 27 N HIS A 3 -14.174 12.711 -4.830 1.00 0.00 N ATOM 28 CA HIS A 3 -13.380 12.670 -3.588 1.00 0.00 C ATOM 29 C HIS A 3 -14.276 12.439 -2.382 1.00 0.00 C ATOM 30 O HIS A 3 -14.706 13.384 -1.721 1.00 0.00 O ATOM 31 CB HIS A 3 -12.520 13.945 -3.364 1.00 0.00 C ATOM 32 CG HIS A 3 -11.545 14.259 -4.456 1.00 0.00 C ATOM 33 ND1 HIS A 3 -11.740 15.272 -5.364 1.00 0.00 N ATOM 34 CD2 HIS A 3 -10.350 13.711 -4.770 1.00 0.00 C ATOM 35 CE1 HIS A 3 -10.721 15.331 -6.185 1.00 0.00 C ATOM 36 NE2 HIS A 3 -9.865 14.401 -5.850 1.00 0.00 N ATOM 0 H HIS A 3 -13.940 11.965 -5.485 1.00 0.00 H new ATOM 0 HA HIS A 3 -12.690 11.834 -3.702 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -13.188 14.797 -3.240 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.970 13.833 -2.430 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.869 12.886 -4.266 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -10.607 16.030 -7.001 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.977 14.218 -6.318 1.00 0.00 H new ATOM 45 N HIS A 4 -14.609 11.203 -2.135 1.00 0.00 N ATOM 46 CA HIS A 4 -15.439 10.864 -1.002 1.00 0.00 C ATOM 47 C HIS A 4 -14.593 10.221 0.066 1.00 0.00 C ATOM 48 O HIS A 4 -14.306 9.021 0.012 1.00 0.00 O ATOM 49 CB HIS A 4 -16.605 9.939 -1.394 1.00 0.00 C ATOM 50 CG HIS A 4 -17.544 10.526 -2.405 1.00 0.00 C ATOM 51 ND1 HIS A 4 -17.575 10.126 -3.718 1.00 0.00 N ATOM 52 CD2 HIS A 4 -18.501 11.475 -2.285 1.00 0.00 C ATOM 53 CE1 HIS A 4 -18.503 10.796 -4.361 1.00 0.00 C ATOM 54 NE2 HIS A 4 -19.079 11.621 -3.517 1.00 0.00 N ATOM 0 H HIS A 4 -14.319 10.407 -2.703 1.00 0.00 H new ATOM 0 HA HIS A 4 -15.878 11.785 -0.619 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -16.198 9.009 -1.790 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -17.169 9.684 -0.497 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -18.760 12.015 -1.386 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -18.751 10.687 -5.407 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -19.835 12.267 -3.743 1.00 0.00 H new ATOM 63 N HIS A 5 -14.149 11.021 0.989 1.00 0.00 N ATOM 64 CA HIS A 5 -13.316 10.557 2.068 1.00 0.00 C ATOM 65 C HIS A 5 -14.178 9.899 3.127 1.00 0.00 C ATOM 66 O HIS A 5 -14.957 10.560 3.808 1.00 0.00 O ATOM 67 CB HIS A 5 -12.501 11.733 2.658 1.00 0.00 C ATOM 68 CG HIS A 5 -11.562 11.373 3.788 1.00 0.00 C ATOM 69 ND1 HIS A 5 -10.208 11.182 3.614 1.00 0.00 N ATOM 70 CD2 HIS A 5 -11.788 11.208 5.113 1.00 0.00 C ATOM 71 CE1 HIS A 5 -9.651 10.917 4.775 1.00 0.00 C ATOM 72 NE2 HIS A 5 -10.582 10.927 5.698 1.00 0.00 N ATOM 0 H HIS A 5 -14.353 12.020 1.018 1.00 0.00 H new ATOM 0 HA HIS A 5 -12.609 9.818 1.691 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -11.919 12.187 1.856 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -13.197 12.492 3.015 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -12.741 11.284 5.615 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -8.602 10.723 4.941 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -10.432 10.753 6.692 1.00 0.00 H new ATOM 81 N HIS A 6 -14.047 8.609 3.244 1.00 0.00 N ATOM 82 CA HIS A 6 -14.794 7.853 4.222 1.00 0.00 C ATOM 83 C HIS A 6 -14.100 7.970 5.552 1.00 0.00 C ATOM 84 O HIS A 6 -12.888 8.239 5.607 1.00 0.00 O ATOM 85 CB HIS A 6 -14.897 6.374 3.819 1.00 0.00 C ATOM 86 CG HIS A 6 -15.548 6.147 2.492 1.00 0.00 C ATOM 87 ND1 HIS A 6 -14.850 5.765 1.373 1.00 0.00 N ATOM 88 CD2 HIS A 6 -16.837 6.240 2.110 1.00 0.00 C ATOM 89 CE1 HIS A 6 -15.673 5.638 0.364 1.00 0.00 C ATOM 90 NE2 HIS A 6 -16.885 5.918 0.782 1.00 0.00 N ATOM 0 H HIS A 6 -13.421 8.047 2.667 1.00 0.00 H new ATOM 0 HA HIS A 6 -15.806 8.254 4.284 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -13.896 5.943 3.799 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -15.459 5.838 4.584 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -17.674 6.516 2.735 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -15.401 5.352 -0.641 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -17.728 5.899 0.208 1.00 0.00 H new ATOM 99 N HIS A 7 -14.832 7.795 6.609 1.00 0.00 N ATOM 100 CA HIS A 7 -14.260 7.878 7.919 1.00 0.00 C ATOM 101 C HIS A 7 -14.818 6.810 8.834 1.00 0.00 C ATOM 102 O HIS A 7 -15.868 6.976 9.457 1.00 0.00 O ATOM 103 CB HIS A 7 -14.332 9.314 8.521 1.00 0.00 C ATOM 104 CG HIS A 7 -15.709 9.898 8.719 1.00 0.00 C ATOM 105 ND1 HIS A 7 -16.376 10.609 7.750 1.00 0.00 N ATOM 106 CD2 HIS A 7 -16.523 9.894 9.800 1.00 0.00 C ATOM 107 CE1 HIS A 7 -17.531 11.011 8.228 1.00 0.00 C ATOM 108 NE2 HIS A 7 -17.646 10.591 9.466 1.00 0.00 N ATOM 0 H HIS A 7 -15.832 7.593 6.590 1.00 0.00 H new ATOM 0 HA HIS A 7 -13.194 7.672 7.819 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.825 9.304 9.486 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -13.769 9.984 7.871 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -16.320 9.425 10.752 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -18.266 11.592 7.691 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -18.445 10.759 10.078 1.00 0.00 H new ATOM 117 N HIS A 8 -14.139 5.690 8.842 1.00 0.00 N ATOM 118 CA HIS A 8 -14.477 4.552 9.664 1.00 0.00 C ATOM 119 C HIS A 8 -13.335 3.540 9.479 1.00 0.00 C ATOM 120 O HIS A 8 -12.433 3.448 10.318 1.00 0.00 O ATOM 121 CB HIS A 8 -15.863 3.977 9.232 1.00 0.00 C ATOM 122 CG HIS A 8 -16.503 3.024 10.196 1.00 0.00 C ATOM 123 ND1 HIS A 8 -17.244 3.446 11.277 1.00 0.00 N ATOM 124 CD2 HIS A 8 -16.546 1.679 10.226 1.00 0.00 C ATOM 125 CE1 HIS A 8 -17.710 2.405 11.920 1.00 0.00 C ATOM 126 NE2 HIS A 8 -17.300 1.322 11.307 1.00 0.00 N ATOM 0 H HIS A 8 -13.314 5.539 8.262 1.00 0.00 H new ATOM 0 HA HIS A 8 -14.575 4.812 10.718 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -16.546 4.811 9.067 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -15.742 3.470 8.275 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -16.072 1.007 9.525 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -18.328 2.434 12.806 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -17.510 0.365 11.592 1.00 0.00 H new ATOM 135 N LEU A 9 -13.385 2.831 8.353 1.00 0.00 N ATOM 136 CA LEU A 9 -12.325 1.955 7.816 1.00 0.00 C ATOM 137 C LEU A 9 -12.962 1.117 6.757 1.00 0.00 C ATOM 138 O LEU A 9 -14.189 0.941 6.768 1.00 0.00 O ATOM 139 CB LEU A 9 -11.565 1.023 8.871 1.00 0.00 C ATOM 140 CG LEU A 9 -12.251 -0.254 9.476 1.00 0.00 C ATOM 141 CD1 LEU A 9 -13.574 0.039 10.110 1.00 0.00 C ATOM 142 CD2 LEU A 9 -12.335 -1.422 8.472 1.00 0.00 C ATOM 0 H LEU A 9 -14.209 2.848 7.751 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.533 2.606 7.445 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.642 0.692 8.395 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.281 1.659 9.710 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.592 -0.584 10.279 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.998 -0.882 10.509 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.439 0.757 10.919 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.250 0.456 9.364 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.818 -2.276 8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.916 -1.114 7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.330 -1.703 8.156 1.00 0.00 H new ATOM 154 N GLU A 10 -12.194 0.640 5.840 1.00 0.00 N ATOM 155 CA GLU A 10 -12.689 -0.273 4.874 1.00 0.00 C ATOM 156 C GLU A 10 -11.688 -1.388 4.673 1.00 0.00 C ATOM 157 O GLU A 10 -10.475 -1.156 4.707 1.00 0.00 O ATOM 158 CB GLU A 10 -12.992 0.435 3.568 1.00 0.00 C ATOM 159 CG GLU A 10 -13.602 -0.465 2.519 1.00 0.00 C ATOM 160 CD GLU A 10 -14.881 -1.126 2.980 1.00 0.00 C ATOM 161 OE1 GLU A 10 -15.958 -0.494 2.891 1.00 0.00 O ATOM 162 OE2 GLU A 10 -14.835 -2.288 3.422 1.00 0.00 O ATOM 0 H GLU A 10 -11.206 0.873 5.740 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.623 -0.703 5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.672 1.264 3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.070 0.864 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.804 0.118 1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.880 -1.234 2.244 1.00 0.00 H new ATOM 169 N GLU A 11 -12.177 -2.580 4.508 1.00 0.00 N ATOM 170 CA GLU A 11 -11.376 -3.686 4.262 1.00 0.00 C ATOM 171 C GLU A 11 -11.244 -3.917 2.806 1.00 0.00 C ATOM 172 O GLU A 11 -12.229 -3.973 2.069 1.00 0.00 O ATOM 173 CB GLU A 11 -11.914 -4.902 4.958 1.00 0.00 C ATOM 174 CG GLU A 11 -11.227 -6.186 4.575 1.00 0.00 C ATOM 175 CD GLU A 11 -11.656 -7.314 5.480 1.00 0.00 C ATOM 176 OE1 GLU A 11 -12.795 -7.792 5.340 1.00 0.00 O ATOM 177 OE2 GLU A 11 -10.880 -7.726 6.362 1.00 0.00 O ATOM 0 H GLU A 11 -13.174 -2.790 4.546 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.383 -3.487 4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.822 -4.761 6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.978 -4.992 4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.462 -6.435 3.540 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.146 -6.057 4.634 1.00 0.00 H new ATOM 184 N PHE A 12 -10.052 -4.007 2.396 1.00 0.00 N ATOM 185 CA PHE A 12 -9.736 -4.300 1.072 1.00 0.00 C ATOM 186 C PHE A 12 -8.908 -5.516 1.030 1.00 0.00 C ATOM 187 O PHE A 12 -8.117 -5.720 1.904 1.00 0.00 O ATOM 188 CB PHE A 12 -8.919 -3.213 0.487 1.00 0.00 C ATOM 189 CG PHE A 12 -9.592 -1.885 0.294 1.00 0.00 C ATOM 190 CD1 PHE A 12 -10.320 -1.619 -0.850 1.00 0.00 C ATOM 191 CD2 PHE A 12 -9.480 -0.892 1.259 1.00 0.00 C ATOM 192 CE1 PHE A 12 -10.928 -0.390 -1.027 1.00 0.00 C ATOM 193 CE2 PHE A 12 -10.080 0.336 1.085 1.00 0.00 C ATOM 194 CZ PHE A 12 -10.806 0.589 -0.059 1.00 0.00 C ATOM 0 H PHE A 12 -9.239 -3.873 2.997 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.667 -4.424 0.519 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.048 -3.062 1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.550 -3.550 -0.482 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.415 -2.378 -1.613 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.914 -1.085 2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.499 -0.195 -1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.982 1.099 1.843 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.278 1.550 -0.199 1.00 0.00 H new ATOM 204 N THR A 13 -9.074 -6.321 0.036 1.00 0.00 N ATOM 205 CA THR A 13 -8.209 -7.442 -0.117 1.00 0.00 C ATOM 206 C THR A 13 -7.118 -7.036 -1.125 1.00 0.00 C ATOM 207 O THR A 13 -7.358 -6.165 -1.936 1.00 0.00 O ATOM 208 CB THR A 13 -8.980 -8.654 -0.613 1.00 0.00 C ATOM 209 OG1 THR A 13 -10.163 -8.826 0.179 1.00 0.00 O ATOM 210 CG2 THR A 13 -8.147 -9.877 -0.471 1.00 0.00 C ATOM 0 H THR A 13 -9.795 -6.226 -0.679 1.00 0.00 H new ATOM 0 HA THR A 13 -7.765 -7.719 0.839 1.00 0.00 H new ATOM 0 HB THR A 13 -9.241 -8.498 -1.660 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.944 -8.887 -0.409 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.706 -10.742 -0.828 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.235 -9.766 -1.058 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.888 -10.021 0.578 1.00 0.00 H new ATOM 218 N ALA A 14 -5.953 -7.668 -1.078 1.00 0.00 N ATOM 219 CA ALA A 14 -4.787 -7.252 -1.885 1.00 0.00 C ATOM 220 C ALA A 14 -5.079 -7.259 -3.366 1.00 0.00 C ATOM 221 O ALA A 14 -4.767 -6.301 -4.075 1.00 0.00 O ATOM 222 CB ALA A 14 -3.578 -8.116 -1.575 1.00 0.00 C ATOM 0 H ALA A 14 -5.778 -8.480 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.563 -6.222 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.733 -7.790 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.325 -8.022 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.807 -9.157 -1.802 1.00 0.00 H new ATOM 228 N GLU A 15 -5.697 -8.316 -3.826 1.00 0.00 N ATOM 229 CA GLU A 15 -6.063 -8.434 -5.224 1.00 0.00 C ATOM 230 C GLU A 15 -7.125 -7.409 -5.606 1.00 0.00 C ATOM 231 O GLU A 15 -7.124 -6.887 -6.719 1.00 0.00 O ATOM 232 CB GLU A 15 -6.517 -9.843 -5.512 1.00 0.00 C ATOM 233 CG GLU A 15 -5.410 -10.861 -5.359 1.00 0.00 C ATOM 234 CD GLU A 15 -5.922 -12.257 -5.421 1.00 0.00 C ATOM 235 OE1 GLU A 15 -6.100 -12.795 -6.528 1.00 0.00 O ATOM 236 OE2 GLU A 15 -6.193 -12.832 -4.352 1.00 0.00 O ATOM 0 H GLU A 15 -5.962 -9.116 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.188 -8.222 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.336 -10.100 -4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.911 -9.892 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.669 -10.712 -6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.902 -10.703 -4.408 1.00 0.00 H new ATOM 243 N GLN A 16 -8.013 -7.094 -4.671 1.00 0.00 N ATOM 244 CA GLN A 16 -9.016 -6.085 -4.928 1.00 0.00 C ATOM 245 C GLN A 16 -8.404 -4.693 -4.890 1.00 0.00 C ATOM 246 O GLN A 16 -8.774 -3.824 -5.673 1.00 0.00 O ATOM 247 CB GLN A 16 -10.250 -6.184 -4.000 1.00 0.00 C ATOM 248 CG GLN A 16 -11.137 -7.403 -4.239 1.00 0.00 C ATOM 249 CD GLN A 16 -10.757 -8.633 -3.446 1.00 0.00 C ATOM 250 OE1 GLN A 16 -11.276 -8.839 -2.350 1.00 0.00 O ATOM 251 NE2 GLN A 16 -9.837 -9.423 -3.942 1.00 0.00 N ATOM 0 H GLN A 16 -8.055 -7.518 -3.744 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.390 -6.277 -5.934 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.908 -6.199 -2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.853 -5.284 -4.124 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.167 -7.138 -3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.111 -7.650 -5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.429 -9.221 -4.855 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.529 -10.241 -3.416 1.00 0.00 H new ATOM 260 N LEU A 17 -7.440 -4.511 -3.997 1.00 0.00 N ATOM 261 CA LEU A 17 -6.731 -3.251 -3.832 1.00 0.00 C ATOM 262 C LEU A 17 -5.957 -2.972 -5.127 1.00 0.00 C ATOM 263 O LEU A 17 -5.920 -1.853 -5.593 1.00 0.00 O ATOM 264 CB LEU A 17 -5.731 -3.364 -2.643 1.00 0.00 C ATOM 265 CG LEU A 17 -5.258 -2.049 -1.930 1.00 0.00 C ATOM 266 CD1 LEU A 17 -4.764 -1.007 -2.852 1.00 0.00 C ATOM 267 CD2 LEU A 17 -6.306 -1.489 -1.024 1.00 0.00 C ATOM 0 H LEU A 17 -7.126 -5.243 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.434 -2.444 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.186 -4.004 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.843 -3.881 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.405 -2.358 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.457 -0.131 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.912 -1.392 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.558 -0.728 -3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.932 -0.580 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.201 -1.257 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.551 -2.221 -0.255 1.00 0.00 H new ATOM 279 N SER A 18 -5.406 -4.048 -5.730 1.00 0.00 N ATOM 280 CA SER A 18 -4.567 -3.986 -6.957 1.00 0.00 C ATOM 281 C SER A 18 -5.292 -3.398 -8.193 1.00 0.00 C ATOM 282 O SER A 18 -4.728 -3.339 -9.286 1.00 0.00 O ATOM 283 CB SER A 18 -3.996 -5.372 -7.284 1.00 0.00 C ATOM 284 OG SER A 18 -3.169 -5.861 -6.226 1.00 0.00 O ATOM 0 H SER A 18 -5.530 -4.997 -5.378 1.00 0.00 H new ATOM 0 HA SER A 18 -3.758 -3.293 -6.728 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.814 -6.071 -7.461 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.416 -5.320 -8.206 1.00 0.00 H new ATOM 0 HG SER A 18 -3.721 -6.044 -5.437 1.00 0.00 H new ATOM 290 N GLN A 19 -6.516 -2.983 -8.015 1.00 0.00 N ATOM 291 CA GLN A 19 -7.292 -2.377 -9.064 1.00 0.00 C ATOM 292 C GLN A 19 -7.507 -0.888 -8.764 1.00 0.00 C ATOM 293 O GLN A 19 -7.875 -0.112 -9.630 1.00 0.00 O ATOM 294 CB GLN A 19 -8.614 -3.122 -9.196 1.00 0.00 C ATOM 295 CG GLN A 19 -8.432 -4.568 -9.654 1.00 0.00 C ATOM 296 CD GLN A 19 -9.695 -5.378 -9.565 1.00 0.00 C ATOM 297 OE1 GLN A 19 -10.496 -5.428 -10.503 1.00 0.00 O ATOM 298 NE2 GLN A 19 -9.874 -6.045 -8.455 1.00 0.00 N ATOM 0 H GLN A 19 -7.010 -3.057 -7.126 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.761 -2.445 -10.013 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.130 -3.111 -8.236 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.253 -2.598 -9.907 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.075 -4.574 -10.684 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.661 -5.041 -9.046 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.188 -5.977 -7.703 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.699 -6.633 -8.341 1.00 0.00 H new ATOM 307 N TYR A 20 -7.217 -0.497 -7.536 1.00 0.00 N ATOM 308 CA TYR A 20 -7.384 0.879 -7.083 1.00 0.00 C ATOM 309 C TYR A 20 -6.154 1.728 -7.375 1.00 0.00 C ATOM 310 O TYR A 20 -6.021 2.820 -6.875 1.00 0.00 O ATOM 311 CB TYR A 20 -7.732 0.931 -5.589 1.00 0.00 C ATOM 312 CG TYR A 20 -9.146 0.490 -5.257 1.00 0.00 C ATOM 313 CD1 TYR A 20 -10.181 1.407 -5.282 1.00 0.00 C ATOM 314 CD2 TYR A 20 -9.444 -0.816 -4.912 1.00 0.00 C ATOM 315 CE1 TYR A 20 -11.465 1.051 -4.975 1.00 0.00 C ATOM 316 CE2 TYR A 20 -10.745 -1.189 -4.602 1.00 0.00 C ATOM 317 CZ TYR A 20 -11.749 -0.243 -4.636 1.00 0.00 C ATOM 318 OH TYR A 20 -13.049 -0.592 -4.322 1.00 0.00 O ATOM 0 H TYR A 20 -6.857 -1.126 -6.818 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.216 1.300 -7.647 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.030 0.300 -5.043 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -7.589 1.950 -5.231 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -9.969 2.431 -5.551 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -8.656 -1.554 -4.883 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.253 1.790 -5.000 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -10.969 -2.211 -4.336 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.088 -1.547 -4.104 1.00 0.00 H new ATOM 328 N ASN A 21 -5.288 1.236 -8.242 1.00 0.00 N ATOM 329 CA ASN A 21 -4.079 1.979 -8.643 1.00 0.00 C ATOM 330 C ASN A 21 -4.406 3.155 -9.576 1.00 0.00 C ATOM 331 O ASN A 21 -3.515 3.902 -10.012 1.00 0.00 O ATOM 332 CB ASN A 21 -3.014 1.053 -9.264 1.00 0.00 C ATOM 333 CG ASN A 21 -3.529 0.203 -10.409 1.00 0.00 C ATOM 334 OD1 ASN A 21 -4.480 0.569 -11.109 1.00 0.00 O ATOM 335 ND2 ASN A 21 -2.899 -0.924 -10.621 1.00 0.00 N ATOM 0 H ASN A 21 -5.388 0.325 -8.690 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.656 2.398 -7.730 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.183 1.661 -9.621 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.619 0.398 -8.487 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.189 -1.534 -11.385 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.118 -1.192 -10.022 1.00 0.00 H new ATOM 342 N GLY A 22 -5.676 3.294 -9.893 1.00 0.00 N ATOM 343 CA GLY A 22 -6.140 4.400 -10.690 1.00 0.00 C ATOM 344 C GLY A 22 -6.361 4.008 -12.107 1.00 0.00 C ATOM 345 O GLY A 22 -6.848 4.801 -12.920 1.00 0.00 O ATOM 0 H GLY A 22 -6.409 2.645 -9.605 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.070 4.785 -10.271 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.411 5.210 -10.647 1.00 0.00 H new ATOM 349 N THR A 23 -6.024 2.795 -12.408 1.00 0.00 N ATOM 350 CA THR A 23 -6.160 2.276 -13.727 1.00 0.00 C ATOM 351 C THR A 23 -7.507 1.547 -13.880 1.00 0.00 C ATOM 352 O THR A 23 -7.878 1.092 -14.976 1.00 0.00 O ATOM 353 CB THR A 23 -4.958 1.364 -14.025 1.00 0.00 C ATOM 354 OG1 THR A 23 -3.754 2.111 -13.782 1.00 0.00 O ATOM 355 CG2 THR A 23 -4.944 0.867 -15.455 1.00 0.00 C ATOM 0 H THR A 23 -5.642 2.130 -11.735 1.00 0.00 H new ATOM 0 HA THR A 23 -6.162 3.085 -14.457 1.00 0.00 H new ATOM 0 HB THR A 23 -5.031 0.490 -13.377 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.975 1.545 -13.965 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.075 0.228 -15.610 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.852 0.297 -15.651 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.895 1.717 -16.135 1.00 0.00 H new ATOM 363 N ASP A 24 -8.255 1.445 -12.793 1.00 0.00 N ATOM 364 CA ASP A 24 -9.575 0.901 -12.897 1.00 0.00 C ATOM 365 C ASP A 24 -10.431 1.993 -13.464 1.00 0.00 C ATOM 366 O ASP A 24 -10.053 3.176 -13.389 1.00 0.00 O ATOM 367 CB ASP A 24 -10.151 0.517 -11.551 1.00 0.00 C ATOM 368 CG ASP A 24 -11.355 -0.364 -11.693 1.00 0.00 C ATOM 369 OD1 ASP A 24 -12.487 0.151 -11.776 1.00 0.00 O ATOM 370 OD2 ASP A 24 -11.210 -1.587 -11.710 1.00 0.00 O ATOM 0 H ASP A 24 -7.969 1.727 -11.855 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.544 0.001 -13.511 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.391 0.002 -10.964 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.423 1.418 -11.001 1.00 0.00 H new ATOM 375 N GLU A 25 -11.554 1.646 -13.986 1.00 0.00 N ATOM 376 CA GLU A 25 -12.417 2.595 -14.570 1.00 0.00 C ATOM 377 C GLU A 25 -13.129 3.415 -13.527 1.00 0.00 C ATOM 378 O GLU A 25 -14.205 3.043 -13.017 1.00 0.00 O ATOM 379 CB GLU A 25 -13.365 1.935 -15.523 1.00 0.00 C ATOM 380 CG GLU A 25 -12.648 1.276 -16.674 1.00 0.00 C ATOM 381 CD GLU A 25 -11.939 2.267 -17.567 1.00 0.00 C ATOM 382 OE1 GLU A 25 -10.810 2.674 -17.264 1.00 0.00 O ATOM 383 OE2 GLU A 25 -12.509 2.639 -18.612 1.00 0.00 O ATOM 0 H GLU A 25 -11.897 0.686 -14.017 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.811 3.294 -15.147 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.954 1.189 -14.989 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.064 2.677 -15.909 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.923 0.562 -16.283 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.366 0.709 -17.266 1.00 0.00 H new ATOM 390 N SER A 26 -12.449 4.471 -13.145 1.00 0.00 N ATOM 391 CA SER A 26 -12.952 5.501 -12.252 1.00 0.00 C ATOM 392 C SER A 26 -12.855 5.120 -10.755 1.00 0.00 C ATOM 393 O SER A 26 -13.461 5.778 -9.909 1.00 0.00 O ATOM 394 CB SER A 26 -14.394 5.933 -12.669 1.00 0.00 C ATOM 395 OG SER A 26 -14.951 6.924 -11.802 1.00 0.00 O ATOM 0 H SER A 26 -11.494 4.647 -13.457 1.00 0.00 H new ATOM 0 HA SER A 26 -12.297 6.365 -12.361 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.371 6.320 -13.688 1.00 0.00 H new ATOM 0 HB3 SER A 26 -15.043 5.057 -12.675 1.00 0.00 H new ATOM 0 HG SER A 26 -14.668 6.749 -10.880 1.00 0.00 H new ATOM 401 N LYS A 27 -12.076 4.108 -10.404 1.00 0.00 N ATOM 402 CA LYS A 27 -11.958 3.787 -8.986 1.00 0.00 C ATOM 403 C LYS A 27 -10.845 4.568 -8.266 1.00 0.00 C ATOM 404 O LYS A 27 -9.763 4.783 -8.830 1.00 0.00 O ATOM 405 CB LYS A 27 -11.947 2.275 -8.660 1.00 0.00 C ATOM 406 CG LYS A 27 -13.257 1.602 -9.028 1.00 0.00 C ATOM 407 CD LYS A 27 -13.572 0.389 -8.133 1.00 0.00 C ATOM 408 CE LYS A 27 -12.762 -0.845 -8.473 1.00 0.00 C ATOM 409 NZ LYS A 27 -13.232 -1.462 -9.728 1.00 0.00 N ATOM 0 H LYS A 27 -11.540 3.520 -11.042 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.895 4.148 -8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.130 1.795 -9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.754 2.135 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.068 2.326 -8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.216 1.280 -10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.388 0.658 -7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.632 0.152 -8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.710 -0.578 -8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.835 -1.567 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.505 -2.113 -10.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.110 -1.989 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.413 -0.720 -10.433 1.00 0.00 H new ATOM 423 N PRO A 28 -11.154 5.049 -7.021 1.00 0.00 N ATOM 424 CA PRO A 28 -10.224 5.822 -6.149 1.00 0.00 C ATOM 425 C PRO A 28 -8.861 5.143 -5.930 1.00 0.00 C ATOM 426 O PRO A 28 -8.748 3.933 -5.984 1.00 0.00 O ATOM 427 CB PRO A 28 -10.988 5.982 -4.824 1.00 0.00 C ATOM 428 CG PRO A 28 -12.145 5.040 -4.912 1.00 0.00 C ATOM 429 CD PRO A 28 -12.463 4.887 -6.364 1.00 0.00 C ATOM 0 HA PRO A 28 -9.963 6.773 -6.614 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.351 5.742 -3.973 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.328 7.009 -4.689 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.895 4.077 -4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.004 5.430 -4.366 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.902 3.913 -6.578 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.177 5.639 -6.700 1.00 0.00 H new ATOM 437 N ILE A 29 -7.855 5.952 -5.687 1.00 0.00 N ATOM 438 CA ILE A 29 -6.468 5.510 -5.600 1.00 0.00 C ATOM 439 C ILE A 29 -6.075 5.304 -4.114 1.00 0.00 C ATOM 440 O ILE A 29 -6.313 6.197 -3.272 1.00 0.00 O ATOM 441 CB ILE A 29 -5.567 6.608 -6.203 1.00 0.00 C ATOM 442 CG1 ILE A 29 -6.155 7.092 -7.525 1.00 0.00 C ATOM 443 CG2 ILE A 29 -4.180 6.050 -6.469 1.00 0.00 C ATOM 444 CD1 ILE A 29 -5.426 8.247 -8.110 1.00 0.00 C ATOM 0 H ILE A 29 -7.972 6.955 -5.541 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.347 4.571 -6.141 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.506 7.435 -5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.149 6.269 -8.239 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.197 7.371 -7.370 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.549 6.830 -6.895 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.743 5.700 -5.534 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.251 5.218 -7.170 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.898 8.538 -9.048 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.454 9.085 -7.414 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.390 7.966 -8.297 1.00 0.00 H new ATOM 456 N TYR A 30 -5.436 4.180 -3.790 1.00 0.00 N ATOM 457 CA TYR A 30 -5.130 3.845 -2.415 1.00 0.00 C ATOM 458 C TYR A 30 -3.853 3.064 -2.361 1.00 0.00 C ATOM 459 O TYR A 30 -3.699 2.105 -3.072 1.00 0.00 O ATOM 460 CB TYR A 30 -6.235 2.976 -1.778 1.00 0.00 C ATOM 461 CG TYR A 30 -7.598 3.609 -1.677 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.838 4.634 -0.780 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.645 3.170 -2.463 1.00 0.00 C ATOM 464 CE1 TYR A 30 -9.084 5.211 -0.673 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.892 3.738 -2.363 1.00 0.00 C ATOM 466 CZ TYR A 30 -10.106 4.761 -1.466 1.00 0.00 C ATOM 467 OH TYR A 30 -11.355 5.334 -1.363 1.00 0.00 O ATOM 0 H TYR A 30 -5.122 3.488 -4.471 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.048 4.782 -1.865 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.325 2.057 -2.357 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.913 2.692 -0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.034 4.988 -0.152 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.481 2.368 -3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.254 6.012 0.031 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.701 3.384 -2.985 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.966 4.901 -1.995 1.00 0.00 H new ATOM 477 N VAL A 31 -2.975 3.435 -1.499 1.00 0.00 N ATOM 478 CA VAL A 31 -1.735 2.723 -1.380 1.00 0.00 C ATOM 479 C VAL A 31 -1.696 2.029 -0.050 1.00 0.00 C ATOM 480 O VAL A 31 -2.077 2.598 0.969 1.00 0.00 O ATOM 481 CB VAL A 31 -0.479 3.635 -1.567 1.00 0.00 C ATOM 482 CG1 VAL A 31 -0.452 4.766 -0.605 1.00 0.00 C ATOM 483 CG2 VAL A 31 0.775 2.834 -1.433 1.00 0.00 C ATOM 0 H VAL A 31 -3.083 4.225 -0.863 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.694 1.993 -2.189 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.542 4.054 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.440 5.369 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.339 5.383 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.437 4.377 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.639 3.485 -1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.812 2.380 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.790 2.052 -2.192 1.00 0.00 H new ATOM 493 N ALA A 32 -1.277 0.811 -0.054 1.00 0.00 N ATOM 494 CA ALA A 32 -1.233 0.058 1.141 1.00 0.00 C ATOM 495 C ALA A 32 0.194 -0.204 1.542 1.00 0.00 C ATOM 496 O ALA A 32 1.049 -0.497 0.701 1.00 0.00 O ATOM 497 CB ALA A 32 -2.006 -1.229 0.973 1.00 0.00 C ATOM 0 H ALA A 32 -0.957 0.314 -0.885 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.703 0.630 1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.965 -1.801 1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.044 -1.001 0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.567 -1.815 0.165 1.00 0.00 H new ATOM 503 N ILE A 33 0.465 -0.041 2.796 1.00 0.00 N ATOM 504 CA ILE A 33 1.758 -0.336 3.334 1.00 0.00 C ATOM 505 C ILE A 33 1.588 -1.094 4.619 1.00 0.00 C ATOM 506 O ILE A 33 1.030 -0.565 5.590 1.00 0.00 O ATOM 507 CB ILE A 33 2.596 0.958 3.599 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.888 1.711 2.299 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.890 0.653 4.354 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.690 2.972 2.495 1.00 0.00 C ATOM 0 H ILE A 33 -0.207 0.303 3.482 1.00 0.00 H new ATOM 0 HA ILE A 33 2.301 -0.933 2.601 1.00 0.00 H new ATOM 0 HB ILE A 33 1.990 1.604 4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.427 1.050 1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.944 1.963 1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.442 1.578 4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.652 0.198 5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.500 -0.035 3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.857 3.450 1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.144 3.653 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.650 2.726 2.949 1.00 0.00 H new ATOM 522 N LYS A 34 1.994 -2.355 4.594 1.00 0.00 N ATOM 523 CA LYS A 34 2.044 -3.210 5.775 1.00 0.00 C ATOM 524 C LYS A 34 0.585 -3.560 6.195 1.00 0.00 C ATOM 525 O LYS A 34 0.306 -4.036 7.285 1.00 0.00 O ATOM 526 CB LYS A 34 2.932 -2.477 6.874 1.00 0.00 C ATOM 527 CG LYS A 34 3.409 -3.272 8.113 1.00 0.00 C ATOM 528 CD LYS A 34 2.348 -3.434 9.185 1.00 0.00 C ATOM 529 CE LYS A 34 2.886 -4.174 10.393 1.00 0.00 C ATOM 530 NZ LYS A 34 3.369 -5.526 10.046 1.00 0.00 N ATOM 0 H LYS A 34 2.303 -2.821 3.741 1.00 0.00 H new ATOM 0 HA LYS A 34 2.527 -4.171 5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.818 -2.088 6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.366 -1.618 7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.742 -4.259 7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.274 -2.768 8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.985 -2.453 9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.495 -3.976 8.775 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.701 -3.601 10.836 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.104 -4.252 11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.521 -6.074 10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.662 -6.006 9.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.265 -5.451 9.523 1.00 0.00 H new ATOM 544 N GLY A 35 -0.327 -3.386 5.252 1.00 0.00 N ATOM 545 CA GLY A 35 -1.718 -3.643 5.504 1.00 0.00 C ATOM 546 C GLY A 35 -2.509 -2.374 5.755 1.00 0.00 C ATOM 547 O GLY A 35 -3.738 -2.406 5.827 1.00 0.00 O ATOM 0 H GLY A 35 -0.119 -3.067 4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.146 -4.171 4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.811 -4.302 6.367 1.00 0.00 H new ATOM 551 N ARG A 36 -1.813 -1.262 5.885 1.00 0.00 N ATOM 552 CA ARG A 36 -2.443 0.010 6.148 1.00 0.00 C ATOM 553 C ARG A 36 -2.721 0.707 4.835 1.00 0.00 C ATOM 554 O ARG A 36 -1.796 1.064 4.112 1.00 0.00 O ATOM 555 CB ARG A 36 -1.532 0.870 7.031 1.00 0.00 C ATOM 556 CG ARG A 36 -1.155 0.175 8.326 1.00 0.00 C ATOM 557 CD ARG A 36 -0.221 1.004 9.201 1.00 0.00 C ATOM 558 NE ARG A 36 -0.794 2.301 9.620 1.00 0.00 N ATOM 559 CZ ARG A 36 -1.267 2.565 10.860 1.00 0.00 C ATOM 560 NH1 ARG A 36 -1.465 1.570 11.729 1.00 0.00 N ATOM 561 NH2 ARG A 36 -1.575 3.816 11.211 1.00 0.00 N ATOM 0 H ARG A 36 -0.797 -1.218 5.811 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.384 -0.147 6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.626 1.119 6.479 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.035 1.810 7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.062 -0.052 8.887 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.677 -0.777 8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.038 0.427 10.089 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.706 1.185 8.657 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.836 3.048 8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.260 0.608 11.459 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.822 1.772 12.663 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.454 4.577 10.543 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.931 4.010 12.147 1.00 0.00 H new ATOM 575 N VAL A 37 -3.980 0.869 4.519 1.00 0.00 N ATOM 576 CA VAL A 37 -4.379 1.502 3.278 1.00 0.00 C ATOM 577 C VAL A 37 -4.541 2.992 3.470 1.00 0.00 C ATOM 578 O VAL A 37 -5.331 3.442 4.305 1.00 0.00 O ATOM 579 CB VAL A 37 -5.689 0.897 2.722 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.121 1.606 1.453 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.493 -0.566 2.435 1.00 0.00 C ATOM 0 H VAL A 37 -4.757 0.569 5.108 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.588 1.318 2.551 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.468 1.025 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.045 1.160 1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.287 2.662 1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.342 1.506 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.419 -0.987 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.699 -0.689 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.219 -1.084 3.354 1.00 0.00 H new ATOM 591 N PHE A 38 -3.798 3.739 2.715 1.00 0.00 N ATOM 592 CA PHE A 38 -3.833 5.174 2.762 1.00 0.00 C ATOM 593 C PHE A 38 -4.460 5.695 1.486 1.00 0.00 C ATOM 594 O PHE A 38 -4.325 5.076 0.429 1.00 0.00 O ATOM 595 CB PHE A 38 -2.424 5.729 2.838 1.00 0.00 C ATOM 596 CG PHE A 38 -1.588 5.214 3.962 1.00 0.00 C ATOM 597 CD1 PHE A 38 -1.746 5.699 5.239 1.00 0.00 C ATOM 598 CD2 PHE A 38 -0.634 4.243 3.734 1.00 0.00 C ATOM 599 CE1 PHE A 38 -0.970 5.225 6.268 1.00 0.00 C ATOM 600 CE2 PHE A 38 0.145 3.767 4.761 1.00 0.00 C ATOM 601 CZ PHE A 38 -0.023 4.257 6.029 1.00 0.00 C ATOM 0 H PHE A 38 -3.136 3.365 2.035 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.405 5.481 3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.915 5.509 1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.484 6.814 2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.487 6.460 5.434 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.498 3.853 2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.104 5.613 7.267 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.889 3.008 4.569 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.587 3.884 6.839 1.00 0.00 H new ATOM 611 N ASP A 39 -5.129 6.814 1.569 1.00 0.00 N ATOM 612 CA ASP A 39 -5.712 7.415 0.377 1.00 0.00 C ATOM 613 C ASP A 39 -4.721 8.299 -0.321 1.00 0.00 C ATOM 614 O ASP A 39 -4.171 9.226 0.273 1.00 0.00 O ATOM 615 CB ASP A 39 -6.982 8.205 0.677 1.00 0.00 C ATOM 616 CG ASP A 39 -7.527 8.912 -0.569 1.00 0.00 C ATOM 617 OD1 ASP A 39 -8.165 8.257 -1.406 1.00 0.00 O ATOM 618 OD2 ASP A 39 -7.345 10.142 -0.702 1.00 0.00 O ATOM 0 H ASP A 39 -5.288 7.331 2.434 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.984 6.587 -0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.742 7.532 1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.775 8.944 1.451 1.00 0.00 H new ATOM 623 N VAL A 40 -4.486 8.002 -1.569 1.00 0.00 N ATOM 624 CA VAL A 40 -3.608 8.796 -2.392 1.00 0.00 C ATOM 625 C VAL A 40 -4.333 9.360 -3.584 1.00 0.00 C ATOM 626 O VAL A 40 -3.712 9.875 -4.510 1.00 0.00 O ATOM 627 CB VAL A 40 -2.329 8.053 -2.831 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.377 7.917 -1.674 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.667 6.687 -3.381 1.00 0.00 C ATOM 0 H VAL A 40 -4.898 7.201 -2.048 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.280 9.620 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.851 8.638 -3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.480 7.391 -2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.104 8.907 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.856 7.354 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.751 6.180 -3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.169 6.099 -2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.325 6.795 -4.243 1.00 0.00 H new ATOM 639 N THR A 41 -5.659 9.307 -3.535 1.00 0.00 N ATOM 640 CA THR A 41 -6.494 9.919 -4.557 1.00 0.00 C ATOM 641 C THR A 41 -6.242 11.439 -4.535 1.00 0.00 C ATOM 642 O THR A 41 -6.362 12.136 -5.550 1.00 0.00 O ATOM 643 CB THR A 41 -7.988 9.642 -4.264 1.00 0.00 C ATOM 644 OG1 THR A 41 -8.190 8.236 -4.116 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.875 10.152 -5.386 1.00 0.00 C ATOM 0 H THR A 41 -6.180 8.842 -2.792 1.00 0.00 H new ATOM 0 HA THR A 41 -6.248 9.502 -5.534 1.00 0.00 H new ATOM 0 HB THR A 41 -8.255 10.165 -3.346 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.071 7.986 -3.176 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.918 9.942 -5.149 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.738 11.228 -5.498 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.607 9.653 -6.317 1.00 0.00 H new ATOM 653 N THR A 42 -5.867 11.913 -3.356 1.00 0.00 N ATOM 654 CA THR A 42 -5.519 13.285 -3.109 1.00 0.00 C ATOM 655 C THR A 42 -4.212 13.685 -3.872 1.00 0.00 C ATOM 656 O THR A 42 -4.022 14.852 -4.243 1.00 0.00 O ATOM 657 CB THR A 42 -5.372 13.517 -1.568 1.00 0.00 C ATOM 658 OG1 THR A 42 -5.038 14.872 -1.280 1.00 0.00 O ATOM 659 CG2 THR A 42 -4.324 12.586 -0.957 1.00 0.00 C ATOM 0 H THR A 42 -5.798 11.326 -2.525 1.00 0.00 H new ATOM 0 HA THR A 42 -6.316 13.925 -3.487 1.00 0.00 H new ATOM 0 HB THR A 42 -6.339 13.290 -1.120 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.954 14.989 -0.311 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.249 12.775 0.114 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.618 11.549 -1.122 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.357 12.769 -1.426 1.00 0.00 H new ATOM 667 N GLY A 43 -3.356 12.705 -4.142 1.00 0.00 N ATOM 668 CA GLY A 43 -2.104 12.950 -4.836 1.00 0.00 C ATOM 669 C GLY A 43 -2.057 12.157 -6.116 1.00 0.00 C ATOM 670 O GLY A 43 -1.057 11.501 -6.436 1.00 0.00 O ATOM 0 H GLY A 43 -3.511 11.729 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.002 14.013 -5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.265 12.674 -4.197 1.00 0.00 H new ATOM 674 N LYS A 44 -3.146 12.239 -6.852 1.00 0.00 N ATOM 675 CA LYS A 44 -3.370 11.483 -8.077 1.00 0.00 C ATOM 676 C LYS A 44 -2.238 11.664 -9.102 1.00 0.00 C ATOM 677 O LYS A 44 -1.897 10.734 -9.810 1.00 0.00 O ATOM 678 CB LYS A 44 -4.666 11.939 -8.717 1.00 0.00 C ATOM 679 CG LYS A 44 -5.067 11.136 -9.935 1.00 0.00 C ATOM 680 CD LYS A 44 -6.142 11.836 -10.688 1.00 0.00 C ATOM 681 CE LYS A 44 -6.545 11.092 -11.943 1.00 0.00 C ATOM 682 NZ LYS A 44 -7.588 11.823 -12.690 1.00 0.00 N ATOM 0 H LYS A 44 -3.926 12.851 -6.611 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.409 10.430 -7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.465 11.881 -7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.570 12.987 -9.001 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.201 10.986 -10.580 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.412 10.148 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.013 11.956 -10.044 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.802 12.837 -10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.672 10.949 -12.580 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.912 10.100 -11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.843 11.288 -13.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.429 11.937 -12.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.228 12.760 -12.963 1.00 0.00 H new ATOM 696 N SER A 45 -1.663 12.852 -9.156 1.00 0.00 N ATOM 697 CA SER A 45 -0.625 13.170 -10.137 1.00 0.00 C ATOM 698 C SER A 45 0.597 12.243 -10.022 1.00 0.00 C ATOM 699 O SER A 45 1.254 11.941 -11.021 1.00 0.00 O ATOM 700 CB SER A 45 -0.208 14.627 -9.993 1.00 0.00 C ATOM 701 OG SER A 45 -1.345 15.481 -10.128 1.00 0.00 O ATOM 0 H SER A 45 -1.896 13.622 -8.529 1.00 0.00 H new ATOM 0 HA SER A 45 -1.049 13.008 -11.128 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.261 14.784 -9.022 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.535 14.877 -10.750 1.00 0.00 H new ATOM 0 HG SER A 45 -1.066 16.415 -10.032 1.00 0.00 H new ATOM 707 N PHE A 46 0.876 11.781 -8.826 1.00 0.00 N ATOM 708 CA PHE A 46 2.008 10.910 -8.610 1.00 0.00 C ATOM 709 C PHE A 46 1.585 9.456 -8.703 1.00 0.00 C ATOM 710 O PHE A 46 2.293 8.618 -9.266 1.00 0.00 O ATOM 711 CB PHE A 46 2.644 11.182 -7.241 1.00 0.00 C ATOM 712 CG PHE A 46 3.189 12.575 -7.082 1.00 0.00 C ATOM 713 CD1 PHE A 46 4.494 12.863 -7.440 1.00 0.00 C ATOM 714 CD2 PHE A 46 2.395 13.594 -6.574 1.00 0.00 C ATOM 715 CE1 PHE A 46 5.001 14.140 -7.296 1.00 0.00 C ATOM 716 CE2 PHE A 46 2.897 14.874 -6.427 1.00 0.00 C ATOM 717 CZ PHE A 46 4.201 15.146 -6.790 1.00 0.00 C ATOM 0 H PHE A 46 0.335 11.993 -7.988 1.00 0.00 H new ATOM 0 HA PHE A 46 2.746 11.113 -9.386 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.900 11.004 -6.465 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.451 10.467 -7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.124 12.080 -7.837 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.374 13.385 -6.290 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.022 14.352 -7.579 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.271 15.659 -6.029 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.595 16.145 -6.678 1.00 0.00 H new ATOM 727 N TYR A 47 0.422 9.168 -8.169 1.00 0.00 N ATOM 728 CA TYR A 47 -0.053 7.816 -8.090 1.00 0.00 C ATOM 729 C TYR A 47 -0.934 7.410 -9.287 1.00 0.00 C ATOM 730 O TYR A 47 -0.486 6.647 -10.144 1.00 0.00 O ATOM 731 CB TYR A 47 -0.750 7.592 -6.740 1.00 0.00 C ATOM 732 CG TYR A 47 0.176 7.844 -5.561 1.00 0.00 C ATOM 733 CD1 TYR A 47 0.395 9.133 -5.099 1.00 0.00 C ATOM 734 CD2 TYR A 47 0.851 6.804 -4.934 1.00 0.00 C ATOM 735 CE1 TYR A 47 1.245 9.388 -4.057 1.00 0.00 C ATOM 736 CE2 TYR A 47 1.716 7.054 -3.881 1.00 0.00 C ATOM 737 CZ TYR A 47 1.905 8.355 -3.449 1.00 0.00 C ATOM 738 OH TYR A 47 2.766 8.621 -2.418 1.00 0.00 O ATOM 0 H TYR A 47 -0.215 9.863 -7.780 1.00 0.00 H new ATOM 0 HA TYR A 47 0.811 7.154 -8.149 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.615 8.252 -6.667 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.124 6.569 -6.693 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.118 9.956 -5.573 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.700 5.789 -5.271 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.394 10.402 -3.716 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.239 6.240 -3.401 1.00 0.00 H new ATOM 0 HH TYR A 47 2.830 7.836 -1.835 1.00 0.00 H new ATOM 748 N GLY A 48 -2.140 7.973 -9.394 1.00 0.00 N ATOM 749 CA GLY A 48 -3.080 7.522 -10.418 1.00 0.00 C ATOM 750 C GLY A 48 -2.950 8.274 -11.715 1.00 0.00 C ATOM 751 O GLY A 48 -3.926 8.817 -12.235 1.00 0.00 O ATOM 0 H GLY A 48 -2.482 8.726 -8.797 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.922 6.460 -10.604 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.097 7.632 -10.042 1.00 0.00 H new ATOM 755 N SER A 49 -1.763 8.316 -12.218 1.00 0.00 N ATOM 756 CA SER A 49 -1.473 8.964 -13.467 1.00 0.00 C ATOM 757 C SER A 49 -0.420 8.133 -14.195 1.00 0.00 C ATOM 758 O SER A 49 0.122 8.535 -15.235 1.00 0.00 O ATOM 759 CB SER A 49 -0.961 10.399 -13.183 1.00 0.00 C ATOM 760 OG SER A 49 -0.731 11.151 -14.375 1.00 0.00 O ATOM 0 H SER A 49 -0.948 7.896 -11.771 1.00 0.00 H new ATOM 0 HA SER A 49 -2.362 9.040 -14.093 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.688 10.923 -12.563 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.035 10.343 -12.610 1.00 0.00 H new ATOM 0 HG SER A 49 -0.387 10.558 -15.075 1.00 0.00 H new ATOM 766 N GLY A 50 -0.168 6.942 -13.659 1.00 0.00 N ATOM 767 CA GLY A 50 0.876 6.109 -14.184 1.00 0.00 C ATOM 768 C GLY A 50 2.218 6.715 -13.900 1.00 0.00 C ATOM 769 O GLY A 50 3.069 6.824 -14.790 1.00 0.00 O ATOM 0 H GLY A 50 -0.676 6.546 -12.868 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.816 5.116 -13.739 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.746 5.985 -15.259 1.00 0.00 H new ATOM 773 N GLY A 51 2.400 7.131 -12.665 1.00 0.00 N ATOM 774 CA GLY A 51 3.626 7.759 -12.270 1.00 0.00 C ATOM 775 C GLY A 51 4.643 6.761 -11.799 1.00 0.00 C ATOM 776 O GLY A 51 4.520 5.559 -12.054 1.00 0.00 O ATOM 0 H GLY A 51 1.708 7.042 -11.921 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.032 8.321 -13.111 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.426 8.476 -11.474 1.00 0.00 H new ATOM 780 N ASP A 52 5.625 7.242 -11.094 1.00 0.00 N ATOM 781 CA ASP A 52 6.680 6.407 -10.555 1.00 0.00 C ATOM 782 C ASP A 52 6.125 5.611 -9.380 1.00 0.00 C ATOM 783 O ASP A 52 6.576 4.510 -9.064 1.00 0.00 O ATOM 784 CB ASP A 52 7.858 7.294 -10.128 1.00 0.00 C ATOM 785 CG ASP A 52 9.055 6.521 -9.645 1.00 0.00 C ATOM 786 OD1 ASP A 52 9.712 5.837 -10.468 1.00 0.00 O ATOM 787 OD2 ASP A 52 9.386 6.591 -8.449 1.00 0.00 O ATOM 0 H ASP A 52 5.725 8.232 -10.870 1.00 0.00 H new ATOM 0 HA ASP A 52 7.041 5.706 -11.307 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.156 7.918 -10.971 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.527 7.966 -9.336 1.00 0.00 H new ATOM 792 N TYR A 53 5.085 6.163 -8.778 1.00 0.00 N ATOM 793 CA TYR A 53 4.395 5.542 -7.669 1.00 0.00 C ATOM 794 C TYR A 53 3.190 4.722 -8.148 1.00 0.00 C ATOM 795 O TYR A 53 2.284 4.430 -7.384 1.00 0.00 O ATOM 796 CB TYR A 53 3.962 6.599 -6.653 1.00 0.00 C ATOM 797 CG TYR A 53 5.121 7.294 -5.979 1.00 0.00 C ATOM 798 CD1 TYR A 53 5.764 6.705 -4.902 1.00 0.00 C ATOM 799 CD2 TYR A 53 5.574 8.528 -6.417 1.00 0.00 C ATOM 800 CE1 TYR A 53 6.829 7.320 -4.280 1.00 0.00 C ATOM 801 CE2 TYR A 53 6.636 9.154 -5.802 1.00 0.00 C ATOM 802 CZ TYR A 53 7.262 8.544 -4.731 1.00 0.00 C ATOM 803 OH TYR A 53 8.334 9.161 -4.108 1.00 0.00 O ATOM 0 H TYR A 53 4.695 7.065 -9.051 1.00 0.00 H new ATOM 0 HA TYR A 53 5.088 4.855 -7.183 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.344 7.343 -7.155 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.339 6.128 -5.893 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.424 5.745 -4.543 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.087 9.007 -7.254 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.320 6.844 -3.444 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.978 10.116 -6.155 1.00 0.00 H new ATOM 0 HH TYR A 53 8.517 10.019 -4.545 1.00 0.00 H new ATOM 813 N SER A 54 3.232 4.303 -9.397 1.00 0.00 N ATOM 814 CA SER A 54 2.188 3.470 -10.023 1.00 0.00 C ATOM 815 C SER A 54 2.081 2.118 -9.327 1.00 0.00 C ATOM 816 O SER A 54 1.028 1.472 -9.283 1.00 0.00 O ATOM 817 CB SER A 54 2.609 3.250 -11.459 1.00 0.00 C ATOM 818 OG SER A 54 3.924 2.709 -11.515 1.00 0.00 O ATOM 0 H SER A 54 4.001 4.528 -10.029 1.00 0.00 H new ATOM 0 HA SER A 54 1.219 3.965 -9.951 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.910 2.573 -11.950 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.574 4.194 -12.003 1.00 0.00 H new ATOM 0 HG SER A 54 4.563 3.423 -11.722 1.00 0.00 H new ATOM 824 N MET A 55 3.183 1.735 -8.772 1.00 0.00 N ATOM 825 CA MET A 55 3.376 0.460 -8.137 1.00 0.00 C ATOM 826 C MET A 55 2.874 0.538 -6.708 1.00 0.00 C ATOM 827 O MET A 55 2.647 -0.461 -6.053 1.00 0.00 O ATOM 828 CB MET A 55 4.870 0.189 -8.176 1.00 0.00 C ATOM 829 CG MET A 55 5.444 0.434 -9.574 1.00 0.00 C ATOM 830 SD MET A 55 4.860 -0.717 -10.832 1.00 0.00 S ATOM 831 CE MET A 55 5.715 -0.079 -12.273 1.00 0.00 C ATOM 0 H MET A 55 4.015 2.324 -8.744 1.00 0.00 H new ATOM 0 HA MET A 55 2.830 -0.340 -8.637 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.377 0.830 -7.455 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.063 -0.841 -7.877 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.194 1.449 -9.883 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.531 0.376 -9.522 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.204 -0.412 -13.176 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.720 1.010 -12.240 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.741 -0.447 -12.280 1.00 0.00 H new ATOM 841 N PHE A 56 2.687 1.755 -6.261 1.00 0.00 N ATOM 842 CA PHE A 56 2.213 2.045 -4.936 1.00 0.00 C ATOM 843 C PHE A 56 0.727 2.298 -4.968 1.00 0.00 C ATOM 844 O PHE A 56 0.006 1.799 -4.143 1.00 0.00 O ATOM 845 CB PHE A 56 2.873 3.315 -4.403 1.00 0.00 C ATOM 846 CG PHE A 56 4.341 3.258 -4.124 1.00 0.00 C ATOM 847 CD1 PHE A 56 5.272 3.020 -5.128 1.00 0.00 C ATOM 848 CD2 PHE A 56 4.790 3.486 -2.848 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.622 3.010 -4.843 1.00 0.00 C ATOM 850 CE2 PHE A 56 6.120 3.477 -2.554 1.00 0.00 C ATOM 851 CZ PHE A 56 7.049 3.238 -3.550 1.00 0.00 C ATOM 0 H PHE A 56 2.865 2.588 -6.823 1.00 0.00 H new ATOM 0 HA PHE A 56 2.452 1.192 -4.300 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.697 4.115 -5.123 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.365 3.598 -3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.936 2.842 -6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.075 3.676 -2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.341 2.825 -5.627 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.449 3.657 -1.541 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.104 3.230 -3.318 1.00 0.00 H new ATOM 861 N ALA A 57 0.308 3.057 -5.992 1.00 0.00 N ATOM 862 CA ALA A 57 -1.059 3.620 -6.193 1.00 0.00 C ATOM 863 C ALA A 57 -2.247 2.698 -5.869 1.00 0.00 C ATOM 864 O ALA A 57 -3.359 3.170 -5.724 1.00 0.00 O ATOM 865 CB ALA A 57 -1.180 4.128 -7.615 1.00 0.00 C ATOM 0 H ALA A 57 0.940 3.315 -6.750 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.139 4.418 -5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.177 4.541 -7.770 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.434 4.904 -7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.016 3.305 -8.311 1.00 0.00 H new ATOM 871 N GLY A 58 -2.013 1.437 -5.758 1.00 0.00 N ATOM 872 CA GLY A 58 -3.073 0.522 -5.471 1.00 0.00 C ATOM 873 C GLY A 58 -2.567 -0.842 -5.248 1.00 0.00 C ATOM 874 O GLY A 58 -3.119 -1.789 -5.743 1.00 0.00 O ATOM 0 H GLY A 58 -1.093 1.009 -5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.615 0.858 -4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.783 0.516 -6.298 1.00 0.00 H new ATOM 878 N LYS A 59 -1.485 -0.953 -4.560 1.00 0.00 N ATOM 879 CA LYS A 59 -0.975 -2.175 -4.220 1.00 0.00 C ATOM 880 C LYS A 59 -0.307 -2.013 -2.865 1.00 0.00 C ATOM 881 O LYS A 59 0.024 -0.883 -2.483 1.00 0.00 O ATOM 882 CB LYS A 59 0.004 -2.522 -5.282 1.00 0.00 C ATOM 883 CG LYS A 59 0.497 -3.884 -5.212 1.00 0.00 C ATOM 884 CD LYS A 59 1.367 -4.181 -6.371 1.00 0.00 C ATOM 885 CE LYS A 59 0.626 -4.155 -7.699 1.00 0.00 C ATOM 886 NZ LYS A 59 1.511 -4.531 -8.826 1.00 0.00 N ATOM 0 H LYS A 59 -0.939 -0.160 -4.224 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.722 -2.965 -4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.461 -2.365 -6.255 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.850 -1.837 -5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.053 -4.028 -4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.342 -4.580 -5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.180 -3.456 -6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.820 -5.163 -6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.221 -4.840 -7.657 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.221 -3.158 -7.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.972 -4.502 -9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.306 -3.863 -8.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.877 -5.492 -8.674 1.00 0.00 H new ATOM 900 N ASP A 60 -0.140 -3.087 -2.125 1.00 0.00 N ATOM 901 CA ASP A 60 0.587 -2.979 -0.872 1.00 0.00 C ATOM 902 C ASP A 60 2.042 -3.110 -1.192 1.00 0.00 C ATOM 903 O ASP A 60 2.461 -4.079 -1.836 1.00 0.00 O ATOM 904 CB ASP A 60 0.173 -4.019 0.177 1.00 0.00 C ATOM 905 CG ASP A 60 0.868 -3.788 1.537 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.085 -4.056 1.659 1.00 0.00 O ATOM 907 OD2 ASP A 60 0.206 -3.321 2.486 1.00 0.00 O ATOM 0 H ASP A 60 -0.484 -4.019 -2.355 1.00 0.00 H new ATOM 0 HA ASP A 60 0.354 -2.014 -0.421 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.908 -3.984 0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.416 -5.017 -0.188 1.00 0.00 H new ATOM 912 N ALA A 61 2.800 -2.148 -0.787 1.00 0.00 N ATOM 913 CA ALA A 61 4.182 -2.088 -1.146 1.00 0.00 C ATOM 914 C ALA A 61 5.112 -2.342 0.027 1.00 0.00 C ATOM 915 O ALA A 61 6.285 -2.025 -0.066 1.00 0.00 O ATOM 916 CB ALA A 61 4.479 -0.729 -1.772 1.00 0.00 C ATOM 0 H ALA A 61 2.482 -1.379 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 61 4.369 -2.886 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.532 -0.678 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.864 -0.596 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.253 0.059 -1.054 1.00 0.00 H new ATOM 922 N SER A 62 4.629 -2.977 1.092 1.00 0.00 N ATOM 923 CA SER A 62 5.465 -3.187 2.289 1.00 0.00 C ATOM 924 C SER A 62 6.799 -3.904 1.986 1.00 0.00 C ATOM 925 O SER A 62 7.861 -3.490 2.460 1.00 0.00 O ATOM 926 CB SER A 62 4.685 -3.899 3.396 1.00 0.00 C ATOM 927 OG SER A 62 4.076 -5.092 2.922 1.00 0.00 O ATOM 0 H SER A 62 3.683 -3.352 1.159 1.00 0.00 H new ATOM 0 HA SER A 62 5.734 -2.193 2.648 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.357 -4.136 4.221 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.919 -3.231 3.790 1.00 0.00 H new ATOM 0 HG SER A 62 3.177 -4.890 2.587 1.00 0.00 H new ATOM 933 N ARG A 63 6.747 -4.938 1.177 1.00 0.00 N ATOM 934 CA ARG A 63 7.951 -5.664 0.800 1.00 0.00 C ATOM 935 C ARG A 63 8.821 -4.812 -0.135 1.00 0.00 C ATOM 936 O ARG A 63 10.039 -4.816 -0.038 1.00 0.00 O ATOM 937 CB ARG A 63 7.568 -6.956 0.096 1.00 0.00 C ATOM 938 CG ARG A 63 8.725 -7.886 -0.244 1.00 0.00 C ATOM 939 CD ARG A 63 8.223 -9.074 -1.043 1.00 0.00 C ATOM 940 NE ARG A 63 9.230 -10.126 -1.212 1.00 0.00 N ATOM 941 CZ ARG A 63 9.259 -11.004 -2.228 1.00 0.00 C ATOM 942 NH1 ARG A 63 8.463 -10.850 -3.284 1.00 0.00 N ATOM 943 NH2 ARG A 63 10.105 -12.018 -2.197 1.00 0.00 N ATOM 0 H ARG A 63 5.887 -5.299 0.765 1.00 0.00 H new ATOM 0 HA ARG A 63 8.519 -5.890 1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.863 -7.498 0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.044 -6.705 -0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.479 -7.346 -0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.206 -8.231 0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.349 -9.494 -0.546 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.897 -8.731 -2.025 1.00 0.00 H new ATOM 0 HE ARG A 63 9.963 -10.196 -0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.822 -10.058 -3.328 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.495 -11.524 -4.049 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.734 -12.133 -1.403 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.129 -12.686 -2.967 1.00 0.00 H new ATOM 957 N ALA A 64 8.172 -4.017 -0.972 1.00 0.00 N ATOM 958 CA ALA A 64 8.848 -3.252 -2.019 1.00 0.00 C ATOM 959 C ALA A 64 9.592 -2.138 -1.407 1.00 0.00 C ATOM 960 O ALA A 64 10.642 -1.743 -1.875 1.00 0.00 O ATOM 961 CB ALA A 64 7.853 -2.717 -3.015 1.00 0.00 C ATOM 0 H ALA A 64 7.161 -3.881 -0.948 1.00 0.00 H new ATOM 0 HA ALA A 64 9.539 -3.910 -2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.377 -2.151 -3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.317 -3.547 -3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.143 -2.065 -2.506 1.00 0.00 H new ATOM 967 N LEU A 65 9.032 -1.640 -0.361 1.00 0.00 N ATOM 968 CA LEU A 65 9.601 -0.596 0.407 1.00 0.00 C ATOM 969 C LEU A 65 10.862 -1.035 1.095 1.00 0.00 C ATOM 970 O LEU A 65 11.765 -0.246 1.286 1.00 0.00 O ATOM 971 CB LEU A 65 8.586 -0.106 1.396 1.00 0.00 C ATOM 972 CG LEU A 65 7.385 0.607 0.810 1.00 0.00 C ATOM 973 CD1 LEU A 65 6.455 1.056 1.891 1.00 0.00 C ATOM 974 CD2 LEU A 65 7.837 1.771 0.016 1.00 0.00 C ATOM 0 H LEU A 65 8.132 -1.963 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 65 9.879 0.220 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.232 -0.958 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.082 0.570 2.092 1.00 0.00 H new ATOM 0 HG LEU A 65 6.848 -0.087 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.600 1.566 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.109 0.190 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.978 1.740 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.971 2.283 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.388 2.458 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.485 1.431 -0.791 1.00 0.00 H new ATOM 986 N GLY A 66 10.932 -2.294 1.442 1.00 0.00 N ATOM 987 CA GLY A 66 12.115 -2.792 2.078 1.00 0.00 C ATOM 988 C GLY A 66 13.184 -3.145 1.089 1.00 0.00 C ATOM 989 O GLY A 66 14.366 -3.071 1.388 1.00 0.00 O ATOM 0 H GLY A 66 10.193 -2.982 1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.497 -2.041 2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.864 -3.673 2.669 1.00 0.00 H new ATOM 993 N LYS A 67 12.768 -3.517 -0.091 1.00 0.00 N ATOM 994 CA LYS A 67 13.691 -3.920 -1.138 1.00 0.00 C ATOM 995 C LYS A 67 14.172 -2.716 -1.921 1.00 0.00 C ATOM 996 O LYS A 67 15.296 -2.700 -2.435 1.00 0.00 O ATOM 997 CB LYS A 67 12.988 -4.873 -2.103 1.00 0.00 C ATOM 998 CG LYS A 67 12.358 -6.104 -1.457 1.00 0.00 C ATOM 999 CD LYS A 67 13.372 -7.004 -0.781 1.00 0.00 C ATOM 1000 CE LYS A 67 14.418 -7.503 -1.751 1.00 0.00 C ATOM 1001 NZ LYS A 67 15.368 -8.414 -1.097 1.00 0.00 N ATOM 0 H LYS A 67 11.785 -3.552 -0.362 1.00 0.00 H new ATOM 0 HA LYS A 67 14.543 -4.411 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.210 -4.321 -2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.708 -5.204 -2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.619 -5.784 -0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.825 -6.674 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.858 -6.459 0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.860 -7.854 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.931 -8.017 -2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.957 -6.655 -2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.338 -8.068 -1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.164 -8.455 -0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.275 -9.365 -1.507 1.00 0.00 H new ATOM 1015 N MET A 68 13.296 -1.728 -2.004 1.00 0.00 N ATOM 1016 CA MET A 68 13.460 -0.515 -2.788 1.00 0.00 C ATOM 1017 C MET A 68 13.306 -0.900 -4.224 1.00 0.00 C ATOM 1018 O MET A 68 14.243 -0.872 -5.020 1.00 0.00 O ATOM 1019 CB MET A 68 14.775 0.248 -2.525 1.00 0.00 C ATOM 1020 CG MET A 68 14.984 0.635 -1.081 1.00 0.00 C ATOM 1021 SD MET A 68 16.467 1.642 -0.820 1.00 0.00 S ATOM 1022 CE MET A 68 17.754 0.511 -1.358 1.00 0.00 C ATOM 0 H MET A 68 12.408 -1.751 -1.502 1.00 0.00 H new ATOM 0 HA MET A 68 12.696 0.202 -2.487 1.00 0.00 H new ATOM 0 HB2 MET A 68 15.612 -0.370 -2.849 1.00 0.00 H new ATOM 0 HB3 MET A 68 14.788 1.150 -3.137 1.00 0.00 H new ATOM 0 HG2 MET A 68 14.112 1.186 -0.729 1.00 0.00 H new ATOM 0 HG3 MET A 68 15.055 -0.269 -0.476 1.00 0.00 H new ATOM 0 HE1 MET A 68 18.723 0.873 -1.015 1.00 0.00 H new ATOM 0 HE2 MET A 68 17.567 -0.478 -0.940 1.00 0.00 H new ATOM 0 HE3 MET A 68 17.754 0.451 -2.446 1.00 0.00 H new ATOM 1032 N SER A 69 12.129 -1.377 -4.518 1.00 0.00 N ATOM 1033 CA SER A 69 11.812 -1.912 -5.800 1.00 0.00 C ATOM 1034 C SER A 69 10.387 -1.587 -6.170 1.00 0.00 C ATOM 1035 O SER A 69 9.567 -1.268 -5.317 1.00 0.00 O ATOM 1036 CB SER A 69 12.053 -3.415 -5.763 1.00 0.00 C ATOM 1037 OG SER A 69 13.410 -3.695 -5.420 1.00 0.00 O ATOM 0 H SER A 69 11.353 -1.403 -3.857 1.00 0.00 H new ATOM 0 HA SER A 69 12.448 -1.466 -6.565 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.385 -3.879 -5.037 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.820 -3.851 -6.735 1.00 0.00 H new ATOM 0 HG SER A 69 13.549 -4.665 -5.399 1.00 0.00 H new ATOM 1043 N LYS A 70 10.129 -1.649 -7.438 1.00 0.00 N ATOM 1044 CA LYS A 70 8.859 -1.297 -8.023 1.00 0.00 C ATOM 1045 C LYS A 70 8.289 -2.457 -8.794 1.00 0.00 C ATOM 1046 O LYS A 70 7.093 -2.496 -9.090 1.00 0.00 O ATOM 1047 CB LYS A 70 9.101 -0.116 -8.911 1.00 0.00 C ATOM 1048 CG LYS A 70 9.440 1.117 -8.119 1.00 0.00 C ATOM 1049 CD LYS A 70 10.220 2.084 -8.937 1.00 0.00 C ATOM 1050 CE LYS A 70 10.510 3.357 -8.171 1.00 0.00 C ATOM 1051 NZ LYS A 70 11.288 4.321 -8.969 1.00 0.00 N ATOM 0 H LYS A 70 10.817 -1.956 -8.125 1.00 0.00 H new ATOM 0 HA LYS A 70 8.129 -1.048 -7.253 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.915 -0.340 -9.601 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.214 0.072 -9.515 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.523 1.590 -7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.014 0.838 -7.235 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.158 1.624 -9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.666 2.323 -9.845 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.570 3.816 -7.864 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.059 3.115 -7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.565 5.124 -8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.141 3.856 -9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.708 4.664 -9.761 1.00 0.00 H new ATOM 1065 N ASN A 71 9.154 -3.390 -9.130 1.00 0.00 N ATOM 1066 CA ASN A 71 8.743 -4.638 -9.755 1.00 0.00 C ATOM 1067 C ASN A 71 7.688 -5.335 -8.940 1.00 0.00 C ATOM 1068 O ASN A 71 7.762 -5.392 -7.705 1.00 0.00 O ATOM 1069 CB ASN A 71 9.928 -5.576 -10.010 1.00 0.00 C ATOM 1070 CG ASN A 71 10.815 -5.763 -8.796 1.00 0.00 C ATOM 1071 OD1 ASN A 71 11.741 -4.992 -8.568 1.00 0.00 O ATOM 1072 ND2 ASN A 71 10.575 -6.779 -8.047 1.00 0.00 N ATOM 0 H ASN A 71 10.160 -3.309 -8.980 1.00 0.00 H new ATOM 0 HA ASN A 71 8.317 -4.376 -10.723 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.551 -6.548 -10.330 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.526 -5.180 -10.831 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.163 -6.964 -7.234 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.796 -7.401 -8.265 1.00 0.00 H new ATOM 1079 N GLU A 72 6.735 -5.888 -9.641 1.00 0.00 N ATOM 1080 CA GLU A 72 5.563 -6.520 -9.059 1.00 0.00 C ATOM 1081 C GLU A 72 5.898 -7.646 -8.081 1.00 0.00 C ATOM 1082 O GLU A 72 5.115 -7.942 -7.187 1.00 0.00 O ATOM 1083 CB GLU A 72 4.672 -7.037 -10.160 1.00 0.00 C ATOM 1084 CG GLU A 72 5.383 -7.911 -11.158 1.00 0.00 C ATOM 1085 CD GLU A 72 4.457 -8.525 -12.146 1.00 0.00 C ATOM 1086 OE1 GLU A 72 4.102 -7.868 -13.139 1.00 0.00 O ATOM 1087 OE2 GLU A 72 4.084 -9.697 -11.955 1.00 0.00 O ATOM 0 H GLU A 72 6.745 -5.916 -10.661 1.00 0.00 H new ATOM 0 HA GLU A 72 5.048 -5.756 -8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.852 -7.602 -9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.229 -6.190 -10.684 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.130 -7.319 -11.686 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.917 -8.700 -10.628 1.00 0.00 H new ATOM 1094 N GLU A 73 7.046 -8.267 -8.267 1.00 0.00 N ATOM 1095 CA GLU A 73 7.525 -9.295 -7.360 1.00 0.00 C ATOM 1096 C GLU A 73 7.654 -8.749 -5.945 1.00 0.00 C ATOM 1097 O GLU A 73 7.057 -9.275 -5.003 1.00 0.00 O ATOM 1098 CB GLU A 73 8.886 -9.797 -7.840 1.00 0.00 C ATOM 1099 CG GLU A 73 9.579 -10.783 -6.914 1.00 0.00 C ATOM 1100 CD GLU A 73 8.801 -12.060 -6.692 1.00 0.00 C ATOM 1101 OE1 GLU A 73 8.714 -12.873 -7.637 1.00 0.00 O ATOM 1102 OE2 GLU A 73 8.266 -12.269 -5.573 1.00 0.00 O ATOM 0 H GLU A 73 7.673 -8.075 -9.049 1.00 0.00 H new ATOM 0 HA GLU A 73 6.807 -10.115 -7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.758 -10.268 -8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.541 -8.938 -7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.556 -11.031 -7.328 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.753 -10.302 -5.951 1.00 0.00 H new ATOM 1109 N ASP A 74 8.390 -7.674 -5.804 1.00 0.00 N ATOM 1110 CA ASP A 74 8.664 -7.145 -4.497 1.00 0.00 C ATOM 1111 C ASP A 74 7.531 -6.335 -3.963 1.00 0.00 C ATOM 1112 O ASP A 74 7.423 -6.155 -2.772 1.00 0.00 O ATOM 1113 CB ASP A 74 9.982 -6.376 -4.429 1.00 0.00 C ATOM 1114 CG ASP A 74 11.179 -7.266 -4.680 1.00 0.00 C ATOM 1115 OD1 ASP A 74 11.489 -8.115 -3.835 1.00 0.00 O ATOM 1116 OD2 ASP A 74 11.813 -7.140 -5.747 1.00 0.00 O ATOM 0 H ASP A 74 8.807 -7.153 -6.575 1.00 0.00 H new ATOM 0 HA ASP A 74 8.776 -8.013 -3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.969 -5.572 -5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.078 -5.910 -3.448 1.00 0.00 H new ATOM 1121 N VAL A 75 6.669 -5.848 -4.818 1.00 0.00 N ATOM 1122 CA VAL A 75 5.529 -5.107 -4.310 1.00 0.00 C ATOM 1123 C VAL A 75 4.495 -6.142 -3.888 1.00 0.00 C ATOM 1124 O VAL A 75 3.824 -6.749 -4.722 1.00 0.00 O ATOM 1125 CB VAL A 75 4.935 -4.111 -5.345 1.00 0.00 C ATOM 1126 CG1 VAL A 75 4.014 -3.115 -4.667 1.00 0.00 C ATOM 1127 CG2 VAL A 75 6.019 -3.378 -6.085 1.00 0.00 C ATOM 0 H VAL A 75 6.723 -5.942 -5.832 1.00 0.00 H new ATOM 0 HA VAL A 75 5.842 -4.484 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 75 4.360 -4.695 -6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.610 -2.428 -5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.196 -3.648 -4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.573 -2.552 -3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.570 -2.690 -6.801 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.628 -2.817 -5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.646 -4.095 -6.615 1.00 0.00 H new ATOM 1137 N SER A 76 4.415 -6.365 -2.597 1.00 0.00 N ATOM 1138 CA SER A 76 3.629 -7.421 -2.038 1.00 0.00 C ATOM 1139 C SER A 76 3.145 -6.989 -0.648 1.00 0.00 C ATOM 1140 O SER A 76 3.836 -6.206 0.030 1.00 0.00 O ATOM 1141 CB SER A 76 4.540 -8.664 -1.932 1.00 0.00 C ATOM 1142 OG SER A 76 3.849 -9.822 -1.479 1.00 0.00 O ATOM 0 H SER A 76 4.905 -5.804 -1.901 1.00 0.00 H new ATOM 0 HA SER A 76 2.759 -7.648 -2.654 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.981 -8.869 -2.908 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.362 -8.448 -1.250 1.00 0.00 H new ATOM 0 HG SER A 76 4.472 -10.577 -1.432 1.00 0.00 H new ATOM 1148 N PRO A 77 1.967 -7.505 -0.197 1.00 0.00 N ATOM 1149 CA PRO A 77 1.361 -7.142 1.098 1.00 0.00 C ATOM 1150 C PRO A 77 1.987 -7.878 2.289 1.00 0.00 C ATOM 1151 O PRO A 77 1.389 -7.961 3.376 1.00 0.00 O ATOM 1152 CB PRO A 77 -0.093 -7.576 0.918 1.00 0.00 C ATOM 1153 CG PRO A 77 -0.016 -8.755 0.015 1.00 0.00 C ATOM 1154 CD PRO A 77 1.125 -8.487 -0.927 1.00 0.00 C ATOM 0 HA PRO A 77 1.500 -6.085 1.327 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.552 -7.835 1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.695 -6.779 0.481 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.154 -9.670 0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.949 -8.888 -0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.679 -9.398 -1.153 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.773 -8.084 -1.877 1.00 0.00 H new ATOM 1162 N SER A 78 3.174 -8.377 2.100 1.00 0.00 N ATOM 1163 CA SER A 78 3.884 -9.080 3.119 1.00 0.00 C ATOM 1164 C SER A 78 5.327 -8.895 2.871 1.00 0.00 C ATOM 1165 O SER A 78 5.759 -8.767 1.723 1.00 0.00 O ATOM 1166 CB SER A 78 3.552 -10.558 3.081 1.00 0.00 C ATOM 1167 OG SER A 78 4.084 -11.249 4.209 1.00 0.00 O ATOM 0 H SER A 78 3.681 -8.304 1.218 1.00 0.00 H new ATOM 0 HA SER A 78 3.602 -8.694 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.470 -10.687 3.053 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.949 -10.996 2.166 1.00 0.00 H new ATOM 0 HG SER A 78 3.849 -12.199 4.152 1.00 0.00 H new ATOM 1173 N LEU A 79 6.049 -8.879 3.928 1.00 0.00 N ATOM 1174 CA LEU A 79 7.452 -8.695 3.918 1.00 0.00 C ATOM 1175 C LEU A 79 8.140 -9.907 3.334 1.00 0.00 C ATOM 1176 O LEU A 79 8.654 -9.850 2.233 1.00 0.00 O ATOM 1177 CB LEU A 79 7.935 -8.425 5.346 1.00 0.00 C ATOM 1178 CG LEU A 79 7.634 -7.042 5.966 1.00 0.00 C ATOM 1179 CD1 LEU A 79 8.379 -5.971 5.241 1.00 0.00 C ATOM 1180 CD2 LEU A 79 6.149 -6.717 5.966 1.00 0.00 C ATOM 0 H LEU A 79 5.663 -8.999 4.864 1.00 0.00 H new ATOM 0 HA LEU A 79 7.702 -7.839 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.498 -9.184 5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.015 -8.572 5.366 1.00 0.00 H new ATOM 0 HG LEU A 79 7.965 -7.085 7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.155 -5.004 5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.450 -6.163 5.308 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.077 -5.963 4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.991 -5.735 6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.777 -6.714 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.612 -7.469 6.545 1.00 0.00 H new ATOM 1192 N GLU A 80 8.101 -11.000 4.078 1.00 0.00 N ATOM 1193 CA GLU A 80 8.704 -12.269 3.694 1.00 0.00 C ATOM 1194 C GLU A 80 10.165 -12.198 3.326 1.00 0.00 C ATOM 1195 O GLU A 80 10.546 -11.844 2.207 1.00 0.00 O ATOM 1196 CB GLU A 80 7.914 -13.018 2.640 1.00 0.00 C ATOM 1197 CG GLU A 80 8.622 -14.253 2.119 1.00 0.00 C ATOM 1198 CD GLU A 80 7.838 -15.005 1.091 1.00 0.00 C ATOM 1199 OE1 GLU A 80 7.063 -15.911 1.462 1.00 0.00 O ATOM 1200 OE2 GLU A 80 7.997 -14.711 -0.110 1.00 0.00 O ATOM 0 H GLU A 80 7.639 -11.032 4.987 1.00 0.00 H new ATOM 0 HA GLU A 80 8.659 -12.848 4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.951 -13.310 3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.709 -12.347 1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.579 -13.958 1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.839 -14.917 2.956 1.00 0.00 H new ATOM 1207 N GLY A 81 10.970 -12.482 4.270 1.00 0.00 N ATOM 1208 CA GLY A 81 12.344 -12.658 4.005 1.00 0.00 C ATOM 1209 C GLY A 81 13.128 -11.494 4.456 1.00 0.00 C ATOM 1210 O GLY A 81 14.313 -11.600 4.740 1.00 0.00 O ATOM 0 H GLY A 81 10.700 -12.600 5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 81 12.701 -13.557 4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.494 -12.809 2.936 1.00 0.00 H new ATOM 1214 N LEU A 82 12.452 -10.382 4.523 1.00 0.00 N ATOM 1215 CA LEU A 82 13.022 -9.142 4.918 1.00 0.00 C ATOM 1216 C LEU A 82 13.560 -9.150 6.319 1.00 0.00 C ATOM 1217 O LEU A 82 12.833 -9.355 7.297 1.00 0.00 O ATOM 1218 CB LEU A 82 12.063 -7.975 4.666 1.00 0.00 C ATOM 1219 CG LEU A 82 12.025 -7.431 3.218 1.00 0.00 C ATOM 1220 CD1 LEU A 82 11.650 -8.479 2.228 1.00 0.00 C ATOM 1221 CD2 LEU A 82 11.129 -6.227 3.084 1.00 0.00 C ATOM 0 H LEU A 82 11.460 -10.320 4.296 1.00 0.00 H new ATOM 0 HA LEU A 82 13.892 -8.991 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.057 -8.291 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.334 -7.157 5.334 1.00 0.00 H new ATOM 0 HG LEU A 82 13.043 -7.114 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.638 -8.047 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.377 -9.290 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.660 -8.868 2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.135 -5.882 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.112 -6.496 3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.490 -5.430 3.735 1.00 0.00 H new ATOM 1233 N THR A 83 14.838 -8.940 6.390 1.00 0.00 N ATOM 1234 CA THR A 83 15.553 -8.876 7.626 1.00 0.00 C ATOM 1235 C THR A 83 15.448 -7.435 8.148 1.00 0.00 C ATOM 1236 O THR A 83 14.783 -6.595 7.504 1.00 0.00 O ATOM 1237 CB THR A 83 17.049 -9.296 7.404 1.00 0.00 C ATOM 1238 OG1 THR A 83 17.787 -9.300 8.640 1.00 0.00 O ATOM 1239 CG2 THR A 83 17.738 -8.365 6.409 1.00 0.00 C ATOM 0 H THR A 83 15.427 -8.805 5.569 1.00 0.00 H new ATOM 0 HA THR A 83 15.130 -9.564 8.358 1.00 0.00 H new ATOM 0 HB THR A 83 17.037 -10.309 7.001 1.00 0.00 H new ATOM 0 HG1 THR A 83 18.714 -9.567 8.467 1.00 0.00 H new ATOM 0 HG21 THR A 83 18.773 -8.679 6.274 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.218 -8.407 5.452 1.00 0.00 H new ATOM 0 HG23 THR A 83 17.715 -7.344 6.790 1.00 0.00 H new ATOM 1247 N GLU A 84 16.100 -7.135 9.277 1.00 0.00 N ATOM 1248 CA GLU A 84 16.028 -5.812 9.883 1.00 0.00 C ATOM 1249 C GLU A 84 16.404 -4.749 8.861 1.00 0.00 C ATOM 1250 O GLU A 84 15.743 -3.748 8.757 1.00 0.00 O ATOM 1251 CB GLU A 84 16.969 -5.678 11.073 1.00 0.00 C ATOM 1252 CG GLU A 84 16.750 -4.387 11.846 1.00 0.00 C ATOM 1253 CD GLU A 84 17.871 -4.034 12.769 1.00 0.00 C ATOM 1254 OE1 GLU A 84 18.026 -4.667 13.826 1.00 0.00 O ATOM 1255 OE2 GLU A 84 18.615 -3.086 12.446 1.00 0.00 O ATOM 0 H GLU A 84 16.684 -7.798 9.787 1.00 0.00 H new ATOM 0 HA GLU A 84 15.003 -5.676 10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.827 -6.527 11.742 1.00 0.00 H new ATOM 0 HB3 GLU A 84 18.000 -5.717 10.723 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.606 -3.571 11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.830 -4.473 12.424 1.00 0.00 H new ATOM 1262 N LYS A 85 17.444 -5.032 8.072 1.00 0.00 N ATOM 1263 CA LYS A 85 17.954 -4.111 7.044 1.00 0.00 C ATOM 1264 C LYS A 85 16.833 -3.656 6.125 1.00 0.00 C ATOM 1265 O LYS A 85 16.601 -2.451 5.932 1.00 0.00 O ATOM 1266 CB LYS A 85 18.945 -4.860 6.165 1.00 0.00 C ATOM 1267 CG LYS A 85 19.522 -4.032 5.031 1.00 0.00 C ATOM 1268 CD LYS A 85 20.236 -4.904 4.016 1.00 0.00 C ATOM 1269 CE LYS A 85 21.387 -5.690 4.632 1.00 0.00 C ATOM 1270 NZ LYS A 85 22.077 -6.515 3.628 1.00 0.00 N ATOM 0 H LYS A 85 17.961 -5.910 8.126 1.00 0.00 H new ATOM 0 HA LYS A 85 18.406 -3.257 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.763 -5.223 6.787 1.00 0.00 H new ATOM 0 HB3 LYS A 85 18.451 -5.736 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.722 -3.479 4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.218 -3.296 5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.523 -5.598 3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.618 -4.279 3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.097 -5.000 5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.007 -6.328 5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 22.854 -7.036 4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.404 -7.190 3.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.461 -5.903 2.880 1.00 0.00 H new ATOM 1284 N GLU A 86 16.137 -4.618 5.587 1.00 0.00 N ATOM 1285 CA GLU A 86 15.117 -4.381 4.655 1.00 0.00 C ATOM 1286 C GLU A 86 13.929 -3.756 5.310 1.00 0.00 C ATOM 1287 O GLU A 86 13.350 -2.812 4.783 1.00 0.00 O ATOM 1288 CB GLU A 86 14.776 -5.675 4.017 1.00 0.00 C ATOM 1289 CG GLU A 86 15.943 -6.255 3.229 1.00 0.00 C ATOM 1290 CD GLU A 86 15.683 -7.621 2.679 1.00 0.00 C ATOM 1291 OE1 GLU A 86 15.629 -8.575 3.464 1.00 0.00 O ATOM 1292 OE2 GLU A 86 15.587 -7.770 1.451 1.00 0.00 O ATOM 0 H GLU A 86 16.281 -5.605 5.802 1.00 0.00 H new ATOM 0 HA GLU A 86 15.454 -3.676 3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.469 -6.386 4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.924 -5.536 3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.183 -5.582 2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.821 -6.295 3.874 1.00 0.00 H new ATOM 1299 N ILE A 87 13.576 -4.245 6.471 1.00 0.00 N ATOM 1300 CA ILE A 87 12.473 -3.680 7.177 1.00 0.00 C ATOM 1301 C ILE A 87 12.750 -2.223 7.545 1.00 0.00 C ATOM 1302 O ILE A 87 11.894 -1.391 7.386 1.00 0.00 O ATOM 1303 CB ILE A 87 12.075 -4.469 8.423 1.00 0.00 C ATOM 1304 CG1 ILE A 87 11.690 -5.899 8.057 1.00 0.00 C ATOM 1305 CG2 ILE A 87 10.911 -3.779 9.070 1.00 0.00 C ATOM 1306 CD1 ILE A 87 11.237 -6.712 9.248 1.00 0.00 C ATOM 0 H ILE A 87 14.036 -5.026 6.938 1.00 0.00 H new ATOM 0 HA ILE A 87 11.626 -3.730 6.492 1.00 0.00 H new ATOM 0 HB ILE A 87 12.920 -4.512 9.110 1.00 0.00 H new ATOM 0 HG12 ILE A 87 10.892 -5.876 7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.544 -6.391 7.591 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.612 -4.329 9.963 1.00 0.00 H new ATOM 0 HG22 ILE A 87 11.198 -2.765 9.348 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.076 -3.741 8.371 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.977 -7.719 8.923 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.042 -6.764 9.981 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.365 -6.240 9.700 1.00 0.00 H new ATOM 1318 N ASN A 88 13.969 -1.932 7.999 1.00 0.00 N ATOM 1319 CA ASN A 88 14.386 -0.553 8.342 1.00 0.00 C ATOM 1320 C ASN A 88 14.168 0.375 7.193 1.00 0.00 C ATOM 1321 O ASN A 88 13.823 1.547 7.371 1.00 0.00 O ATOM 1322 CB ASN A 88 15.868 -0.476 8.694 1.00 0.00 C ATOM 1323 CG ASN A 88 16.249 -1.107 10.015 1.00 0.00 C ATOM 1324 OD1 ASN A 88 15.450 -1.159 10.960 1.00 0.00 O ATOM 1325 ND2 ASN A 88 17.479 -1.580 10.105 1.00 0.00 N ATOM 0 H ASN A 88 14.697 -2.632 8.142 1.00 0.00 H new ATOM 0 HA ASN A 88 13.780 -0.264 9.201 1.00 0.00 H new ATOM 0 HB2 ASN A 88 16.439 -0.958 7.901 1.00 0.00 H new ATOM 0 HB3 ASN A 88 16.167 0.572 8.710 1.00 0.00 H new ATOM 0 HD21 ASN A 88 17.799 -2.006 10.975 1.00 0.00 H new ATOM 0 HD22 ASN A 88 18.109 -1.519 9.305 1.00 0.00 H new ATOM 1332 N THR A 89 14.374 -0.146 6.023 1.00 0.00 N ATOM 1333 CA THR A 89 14.232 0.600 4.830 1.00 0.00 C ATOM 1334 C THR A 89 12.743 0.988 4.618 1.00 0.00 C ATOM 1335 O THR A 89 12.414 2.159 4.451 1.00 0.00 O ATOM 1336 CB THR A 89 14.728 -0.271 3.676 1.00 0.00 C ATOM 1337 OG1 THR A 89 16.113 -0.634 3.885 1.00 0.00 O ATOM 1338 CG2 THR A 89 14.585 0.440 2.386 1.00 0.00 C ATOM 0 H THR A 89 14.649 -1.117 5.877 1.00 0.00 H new ATOM 0 HA THR A 89 14.812 1.521 4.882 1.00 0.00 H new ATOM 0 HB THR A 89 14.121 -1.176 3.645 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.174 -1.286 4.614 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.944 -0.197 1.578 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.536 0.682 2.219 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.170 1.359 2.410 1.00 0.00 H new ATOM 1346 N LEU A 90 11.869 0.009 4.741 1.00 0.00 N ATOM 1347 CA LEU A 90 10.418 0.203 4.613 1.00 0.00 C ATOM 1348 C LEU A 90 9.875 0.993 5.782 1.00 0.00 C ATOM 1349 O LEU A 90 8.954 1.769 5.639 1.00 0.00 O ATOM 1350 CB LEU A 90 9.744 -1.168 4.572 1.00 0.00 C ATOM 1351 CG LEU A 90 8.415 -1.311 5.314 1.00 0.00 C ATOM 1352 CD1 LEU A 90 7.246 -0.806 4.531 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.209 -2.693 5.780 1.00 0.00 C ATOM 0 H LEU A 90 12.137 -0.956 4.934 1.00 0.00 H new ATOM 0 HA LEU A 90 10.213 0.759 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.579 -1.433 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.440 -1.900 4.981 1.00 0.00 H new ATOM 0 HG LEU A 90 8.482 -0.669 6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.334 -0.936 5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.386 0.252 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.164 -1.365 3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.256 -2.762 6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.203 -3.368 4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.016 -2.973 6.457 1.00 0.00 H new ATOM 1365 N ASN A 91 10.469 0.776 6.913 1.00 0.00 N ATOM 1366 CA ASN A 91 10.063 1.368 8.174 1.00 0.00 C ATOM 1367 C ASN A 91 10.106 2.897 8.065 1.00 0.00 C ATOM 1368 O ASN A 91 9.287 3.600 8.652 1.00 0.00 O ATOM 1369 CB ASN A 91 11.003 0.866 9.266 1.00 0.00 C ATOM 1370 CG ASN A 91 10.376 0.790 10.634 1.00 0.00 C ATOM 1371 OD1 ASN A 91 10.395 1.743 11.409 1.00 0.00 O ATOM 1372 ND2 ASN A 91 9.829 -0.374 10.941 1.00 0.00 N ATOM 0 H ASN A 91 11.279 0.162 7.000 1.00 0.00 H new ATOM 0 HA ASN A 91 9.041 1.080 8.422 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.367 -0.124 8.990 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.871 1.523 9.313 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.398 -0.510 11.855 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.838 -1.136 10.263 1.00 0.00 H new ATOM 1379 N ASP A 92 11.074 3.393 7.286 1.00 0.00 N ATOM 1380 CA ASP A 92 11.188 4.827 7.004 1.00 0.00 C ATOM 1381 C ASP A 92 10.103 5.251 6.011 1.00 0.00 C ATOM 1382 O ASP A 92 9.519 6.318 6.140 1.00 0.00 O ATOM 1383 CB ASP A 92 12.592 5.173 6.462 1.00 0.00 C ATOM 1384 CG ASP A 92 12.772 6.656 6.130 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.740 7.499 7.053 1.00 0.00 O ATOM 1386 OD2 ASP A 92 12.957 6.996 4.934 1.00 0.00 O ATOM 0 H ASP A 92 11.790 2.821 6.839 1.00 0.00 H new ATOM 0 HA ASP A 92 11.047 5.377 7.934 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.339 4.881 7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.782 4.583 5.565 1.00 0.00 H new ATOM 1391 N TRP A 93 9.811 4.367 5.050 1.00 0.00 N ATOM 1392 CA TRP A 93 8.789 4.592 4.032 1.00 0.00 C ATOM 1393 C TRP A 93 7.394 4.669 4.623 1.00 0.00 C ATOM 1394 O TRP A 93 6.603 5.533 4.230 1.00 0.00 O ATOM 1395 CB TRP A 93 8.846 3.515 2.952 1.00 0.00 C ATOM 1396 CG TRP A 93 9.982 3.640 1.963 1.00 0.00 C ATOM 1397 CD1 TRP A 93 11.152 2.938 1.948 1.00 0.00 C ATOM 1398 CD2 TRP A 93 10.032 4.514 0.827 1.00 0.00 C ATOM 1399 NE1 TRP A 93 11.928 3.326 0.881 1.00 0.00 N ATOM 1400 CE2 TRP A 93 11.262 4.289 0.177 1.00 0.00 C ATOM 1401 CE3 TRP A 93 9.156 5.464 0.300 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 11.635 4.980 -0.972 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 9.526 6.149 -0.841 1.00 0.00 C ATOM 1404 CH2 TRP A 93 10.754 5.903 -1.464 1.00 0.00 C ATOM 0 H TRP A 93 10.284 3.468 4.960 1.00 0.00 H new ATOM 0 HA TRP A 93 9.007 5.559 3.579 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.917 2.542 3.438 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.906 3.528 2.401 1.00 0.00 H new ATOM 0 HD1 TRP A 93 11.429 2.185 2.671 1.00 0.00 H new ATOM 0 HE1 TRP A 93 12.850 2.955 0.652 1.00 0.00 H new ATOM 0 HE3 TRP A 93 8.206 5.660 0.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 12.583 4.795 -1.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 8.856 6.886 -1.259 1.00 0.00 H new ATOM 0 HH2 TRP A 93 11.013 6.455 -2.355 1.00 0.00 H new ATOM 1415 N GLU A 94 7.099 3.773 5.564 1.00 0.00 N ATOM 1416 CA GLU A 94 5.807 3.741 6.256 1.00 0.00 C ATOM 1417 C GLU A 94 5.450 5.120 6.756 1.00 0.00 C ATOM 1418 O GLU A 94 4.408 5.658 6.429 1.00 0.00 O ATOM 1419 CB GLU A 94 5.862 2.783 7.454 1.00 0.00 C ATOM 1420 CG GLU A 94 6.062 1.322 7.105 1.00 0.00 C ATOM 1421 CD GLU A 94 6.141 0.444 8.338 1.00 0.00 C ATOM 1422 OE1 GLU A 94 5.158 0.410 9.116 1.00 0.00 O ATOM 1423 OE2 GLU A 94 7.162 -0.235 8.542 1.00 0.00 O ATOM 0 H GLU A 94 7.748 3.048 5.870 1.00 0.00 H new ATOM 0 HA GLU A 94 5.053 3.397 5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.672 3.097 8.112 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.935 2.881 8.020 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.240 0.985 6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.977 1.211 6.523 1.00 0.00 H new ATOM 1430 N THR A 95 6.370 5.692 7.477 1.00 0.00 N ATOM 1431 CA THR A 95 6.234 6.986 8.131 1.00 0.00 C ATOM 1432 C THR A 95 5.914 8.127 7.146 1.00 0.00 C ATOM 1433 O THR A 95 5.210 9.085 7.483 1.00 0.00 O ATOM 1434 CB THR A 95 7.559 7.289 8.837 1.00 0.00 C ATOM 1435 OG1 THR A 95 7.855 6.181 9.709 1.00 0.00 O ATOM 1436 CG2 THR A 95 7.474 8.566 9.669 1.00 0.00 C ATOM 0 H THR A 95 7.280 5.260 7.640 1.00 0.00 H new ATOM 0 HA THR A 95 5.399 6.931 8.829 1.00 0.00 H new ATOM 0 HB THR A 95 8.337 7.431 8.087 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.410 5.529 9.232 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.433 8.748 10.155 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.230 9.407 9.020 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.698 8.456 10.427 1.00 0.00 H new ATOM 1444 N LYS A 96 6.374 7.990 5.932 1.00 0.00 N ATOM 1445 CA LYS A 96 6.274 9.048 4.954 1.00 0.00 C ATOM 1446 C LYS A 96 4.862 9.127 4.471 1.00 0.00 C ATOM 1447 O LYS A 96 4.327 10.184 4.192 1.00 0.00 O ATOM 1448 CB LYS A 96 7.237 8.754 3.822 1.00 0.00 C ATOM 1449 CG LYS A 96 8.661 8.576 4.315 1.00 0.00 C ATOM 1450 CD LYS A 96 9.248 9.861 4.850 1.00 0.00 C ATOM 1451 CE LYS A 96 10.648 9.631 5.382 1.00 0.00 C ATOM 1452 NZ LYS A 96 11.303 10.885 5.801 1.00 0.00 N ATOM 0 H LYS A 96 6.829 7.144 5.590 1.00 0.00 H new ATOM 0 HA LYS A 96 6.539 10.012 5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.919 7.851 3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.204 9.568 3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.680 7.817 5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.282 8.208 3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.273 10.612 4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.612 10.254 5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.604 8.946 6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.251 9.148 4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.257 10.676 6.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.370 11.530 4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.743 11.334 6.554 1.00 0.00 H new ATOM 1466 N PHE A 97 4.272 8.006 4.382 1.00 0.00 N ATOM 1467 CA PHE A 97 2.917 7.895 4.011 1.00 0.00 C ATOM 1468 C PHE A 97 2.014 8.091 5.219 1.00 0.00 C ATOM 1469 O PHE A 97 1.137 8.933 5.214 1.00 0.00 O ATOM 1470 CB PHE A 97 2.689 6.546 3.387 1.00 0.00 C ATOM 1471 CG PHE A 97 3.311 6.378 2.015 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.686 6.297 1.850 1.00 0.00 C ATOM 1473 CD2 PHE A 97 2.509 6.297 0.893 1.00 0.00 C ATOM 1474 CE1 PHE A 97 5.239 6.141 0.598 1.00 0.00 C ATOM 1475 CE2 PHE A 97 3.060 6.140 -0.360 1.00 0.00 C ATOM 1476 CZ PHE A 97 4.425 6.065 -0.509 1.00 0.00 C ATOM 0 H PHE A 97 4.727 7.112 4.569 1.00 0.00 H new ATOM 0 HA PHE A 97 2.673 8.672 3.287 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.090 5.780 4.051 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.616 6.371 3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.331 6.357 2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.436 6.358 0.999 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.311 6.078 0.485 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.419 6.076 -1.227 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.857 5.947 -1.492 1.00 0.00 H new ATOM 1486 N GLU A 98 2.311 7.347 6.259 1.00 0.00 N ATOM 1487 CA GLU A 98 1.508 7.235 7.481 1.00 0.00 C ATOM 1488 C GLU A 98 1.275 8.614 8.161 1.00 0.00 C ATOM 1489 O GLU A 98 0.238 8.842 8.779 1.00 0.00 O ATOM 1490 CB GLU A 98 2.262 6.282 8.439 1.00 0.00 C ATOM 1491 CG GLU A 98 1.416 5.393 9.352 1.00 0.00 C ATOM 1492 CD GLU A 98 0.514 6.136 10.281 1.00 0.00 C ATOM 1493 OE1 GLU A 98 1.004 6.674 11.294 1.00 0.00 O ATOM 1494 OE2 GLU A 98 -0.713 6.183 10.023 1.00 0.00 O ATOM 0 H GLU A 98 3.154 6.773 6.290 1.00 0.00 H new ATOM 0 HA GLU A 98 0.520 6.847 7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.902 5.636 7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.918 6.885 9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.812 4.730 8.733 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.082 4.761 9.940 1.00 0.00 H new ATOM 1501 N ALA A 99 2.199 9.540 7.997 1.00 0.00 N ATOM 1502 CA ALA A 99 2.108 10.803 8.709 1.00 0.00 C ATOM 1503 C ALA A 99 1.420 11.860 7.881 1.00 0.00 C ATOM 1504 O ALA A 99 1.200 12.981 8.343 1.00 0.00 O ATOM 1505 CB ALA A 99 3.479 11.273 9.130 1.00 0.00 C ATOM 0 H ALA A 99 3.011 9.446 7.387 1.00 0.00 H new ATOM 0 HA ALA A 99 1.504 10.636 9.601 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.391 12.220 9.662 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.933 10.530 9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.104 11.409 8.247 1.00 0.00 H new ATOM 1511 N LYS A 100 1.092 11.522 6.661 1.00 0.00 N ATOM 1512 CA LYS A 100 0.438 12.467 5.783 1.00 0.00 C ATOM 1513 C LYS A 100 -0.824 11.911 5.229 1.00 0.00 C ATOM 1514 O LYS A 100 -1.912 12.495 5.372 1.00 0.00 O ATOM 1515 CB LYS A 100 1.366 12.963 4.664 1.00 0.00 C ATOM 1516 CG LYS A 100 2.268 14.106 5.055 1.00 0.00 C ATOM 1517 CD LYS A 100 3.389 13.650 5.913 1.00 0.00 C ATOM 1518 CE LYS A 100 4.442 12.952 5.096 1.00 0.00 C ATOM 1519 NZ LYS A 100 5.091 13.856 4.114 1.00 0.00 N ATOM 0 H LYS A 100 1.265 10.604 6.251 1.00 0.00 H new ATOM 0 HA LYS A 100 0.183 13.335 6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.983 12.130 4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.756 13.273 3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.666 14.579 4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.689 14.862 5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.829 14.504 6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.013 12.975 6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.200 12.540 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.990 12.112 4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.989 13.438 3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.463 13.987 3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.276 14.777 4.560 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.697 10.802 4.619 1.00 0.00 N ATOM 1534 CA TYR A 101 -1.834 10.131 4.054 1.00 0.00 C ATOM 1535 C TYR A 101 -2.635 9.458 5.162 1.00 0.00 C ATOM 1536 O TYR A 101 -2.060 8.903 6.112 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.429 9.103 3.006 1.00 0.00 C ATOM 1538 CG TYR A 101 -0.619 9.648 1.858 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -1.108 10.659 1.044 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.626 9.129 1.578 1.00 0.00 C ATOM 1541 CE1 TYR A 101 -0.365 11.138 -0.017 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.375 9.597 0.526 1.00 0.00 C ATOM 1543 CZ TYR A 101 0.880 10.599 -0.267 1.00 0.00 C ATOM 1544 OH TYR A 101 1.630 11.061 -1.318 1.00 0.00 O ATOM 0 H TYR A 101 0.191 10.318 4.487 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.448 10.881 3.555 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -0.855 8.316 3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.331 8.639 2.607 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.084 11.078 1.243 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.021 8.338 2.198 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -0.754 11.926 -0.644 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.350 9.177 0.325 1.00 0.00 H new ATOM 0 HH TYR A 101 1.934 10.304 -1.861 1.00 0.00 H new ATOM 1554 N PRO A 102 -3.955 9.525 5.080 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.837 8.948 6.077 1.00 0.00 C ATOM 1556 C PRO A 102 -5.054 7.454 5.875 1.00 0.00 C ATOM 1557 O PRO A 102 -5.239 6.980 4.742 1.00 0.00 O ATOM 1558 CB PRO A 102 -6.147 9.687 5.820 1.00 0.00 C ATOM 1559 CG PRO A 102 -6.140 9.917 4.353 1.00 0.00 C ATOM 1560 CD PRO A 102 -4.713 10.201 4.001 1.00 0.00 C ATOM 0 HA PRO A 102 -4.436 9.049 7.085 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.008 9.094 6.128 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.192 10.626 6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.510 9.043 3.817 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.785 10.753 4.084 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.454 9.805 3.019 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.510 11.272 3.977 1.00 0.00 H new ATOM 1568 N VAL A 103 -5.020 6.720 6.962 1.00 0.00 N ATOM 1569 CA VAL A 103 -5.352 5.310 6.929 1.00 0.00 C ATOM 1570 C VAL A 103 -6.850 5.198 6.779 1.00 0.00 C ATOM 1571 O VAL A 103 -7.609 5.450 7.734 1.00 0.00 O ATOM 1572 CB VAL A 103 -4.914 4.531 8.214 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -5.328 3.065 8.126 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -3.424 4.613 8.418 1.00 0.00 C ATOM 0 H VAL A 103 -4.765 7.074 7.884 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.811 4.861 6.096 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.414 4.998 9.063 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.013 2.543 9.030 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.411 2.998 8.027 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -4.855 2.605 7.258 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.149 4.063 9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.915 4.179 7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.128 5.657 8.526 1.00 0.00 H new ATOM 1584 N VAL A 104 -7.279 4.879 5.597 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.688 4.767 5.326 1.00 0.00 C ATOM 1586 C VAL A 104 -9.202 3.363 5.595 1.00 0.00 C ATOM 1587 O VAL A 104 -10.409 3.152 5.729 1.00 0.00 O ATOM 1588 CB VAL A 104 -9.067 5.243 3.900 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -8.800 6.734 3.757 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.287 4.474 2.849 1.00 0.00 C ATOM 0 H VAL A 104 -6.674 4.690 4.798 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.185 5.443 6.021 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.130 5.054 3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.070 7.057 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.396 7.282 4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.742 6.932 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.570 4.825 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.219 4.633 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.511 3.411 2.935 1.00 0.00 H new ATOM 1600 N GLY A 105 -8.296 2.412 5.695 1.00 0.00 N ATOM 1601 CA GLY A 105 -8.693 1.067 5.988 1.00 0.00 C ATOM 1602 C GLY A 105 -7.543 0.093 5.969 1.00 0.00 C ATOM 1603 O GLY A 105 -6.382 0.475 6.185 1.00 0.00 O ATOM 0 H GLY A 105 -7.292 2.551 5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.168 1.040 6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.442 0.750 5.263 1.00 0.00 H new ATOM 1607 N ARG A 106 -7.855 -1.146 5.698 1.00 0.00 N ATOM 1608 CA ARG A 106 -6.880 -2.228 5.716 1.00 0.00 C ATOM 1609 C ARG A 106 -6.807 -2.898 4.397 1.00 0.00 C ATOM 1610 O ARG A 106 -7.721 -2.794 3.574 1.00 0.00 O ATOM 1611 CB ARG A 106 -7.303 -3.341 6.667 1.00 0.00 C ATOM 1612 CG ARG A 106 -8.677 -3.859 6.371 1.00 0.00 C ATOM 1613 CD ARG A 106 -8.936 -5.151 7.055 1.00 0.00 C ATOM 1614 NE ARG A 106 -8.840 -5.094 8.496 1.00 0.00 N ATOM 1615 CZ ARG A 106 -9.172 -6.104 9.308 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -9.716 -7.224 8.810 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -8.995 -5.980 10.614 1.00 0.00 N ATOM 0 H ARG A 106 -8.799 -1.446 5.455 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.937 -1.766 6.009 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.588 -4.161 6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.271 -2.970 7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.418 -3.125 6.687 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.794 -3.987 5.295 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.933 -5.499 6.783 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.228 -5.892 6.685 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.498 -4.231 8.920 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.879 -7.309 7.807 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.967 -7.990 9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.607 -5.118 10.996 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.246 -6.747 11.238 1.00 0.00 H new ATOM 1631 N VAL A 107 -5.746 -3.603 4.204 1.00 0.00 N ATOM 1632 CA VAL A 107 -5.671 -4.499 3.135 1.00 0.00 C ATOM 1633 C VAL A 107 -5.403 -5.881 3.706 1.00 0.00 C ATOM 1634 O VAL A 107 -4.545 -6.060 4.576 1.00 0.00 O ATOM 1635 CB VAL A 107 -4.651 -4.130 2.043 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -3.243 -4.237 2.522 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -4.883 -4.965 0.828 1.00 0.00 C ATOM 0 H VAL A 107 -4.913 -3.564 4.791 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.626 -4.464 2.610 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.803 -3.083 1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.562 -3.966 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.093 -3.562 3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.043 -5.261 2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.158 -4.698 0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.770 -6.019 1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.891 -4.789 0.452 1.00 0.00 H new ATOM 1647 N VAL A 108 -6.163 -6.809 3.275 1.00 0.00 N ATOM 1648 CA VAL A 108 -6.106 -8.151 3.751 1.00 0.00 C ATOM 1649 C VAL A 108 -5.647 -9.046 2.634 1.00 0.00 C ATOM 1650 O VAL A 108 -5.948 -8.787 1.468 1.00 0.00 O ATOM 1651 CB VAL A 108 -7.494 -8.578 4.305 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -7.852 -7.637 5.371 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -8.561 -8.437 3.284 1.00 0.00 C ATOM 0 H VAL A 108 -6.871 -6.660 2.555 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.392 -8.232 4.571 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.422 -9.616 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.824 -7.907 5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.100 -7.676 6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.899 -6.627 4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.516 -8.745 3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.625 -7.396 2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.328 -9.065 2.425 1.00 0.00 H new ATOM 1663 N SER A 109 -4.890 -10.046 2.946 1.00 0.00 N ATOM 1664 CA SER A 109 -4.359 -10.866 1.920 1.00 0.00 C ATOM 1665 C SER A 109 -4.242 -12.312 2.365 1.00 0.00 C ATOM 1666 O SER A 109 -5.145 -13.108 2.064 1.00 0.00 O ATOM 1667 CB SER A 109 -3.013 -10.292 1.493 1.00 0.00 C ATOM 1668 OG SER A 109 -2.109 -10.244 2.593 1.00 0.00 O ATOM 1669 OXT SER A 109 -3.250 -12.649 3.045 1.00 0.00 O ATOM 0 H SER A 109 -4.630 -10.310 3.896 1.00 0.00 H new ATOM 0 HA SER A 109 -5.037 -10.869 1.066 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.589 -10.902 0.695 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.153 -9.290 1.088 1.00 0.00 H new ATOM 0 HG SER A 109 -2.187 -11.069 3.117 1.00 0.00 H new TER 1675 SER A 109