USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 634 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 10 CYS SG : rot -176:sc= 0.833 USER MOD Set 1.2: A 13 CYS SG : rot 102:sc= 1.06 USER MOD Set 1.3: A 56 CYS SG : rot -65:sc= 1.52 USER MOD Set 1.4: A 59 CYS SG : rot 73:sc= 3.25 USER MOD Set 2.1: A 8 LYS NZ :NH3+ 156:sc= 1.27 (180deg=-0.0999) USER MOD Set 2.2: A 37 ASN : amide:sc= 0.0898 K(o=1.4,f=-9.9!) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -173:sc= 0 (180deg=-0.0309) USER MOD Single : A 3 HIS : no HD1:sc= -2.36! K(o=-2.4!,f=-0.33) USER MOD Single : A 4 MET CE :methyl -161:sc= -0.199 (180deg=-0.839) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= -0.0138 (180deg=-0.0959) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00243 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 22 THR OG1 : rot 69:sc= 0.232 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= 0.888 K(o=0.89,f=-2.8!) USER MOD Single : A 26 SER OG : rot 110:sc= 0.925 USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0156 (180deg=-0.203) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= -0.0873 (180deg=-0.452) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.965 K(o=-0.96,f=-0.016) USER MOD Single : A 40 LYS NZ :NH3+ -156:sc= 0.616 (180deg=0.239) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= -0.0925 (180deg=-0.441) USER MOD Single : A 53 MET CE :methyl -145:sc= -1.37 (180deg=-3.75!) USER MOD Single : A 57 THR OG1 : rot 111:sc= 0.799 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 163:sc= 1.31 (180deg=0.697) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= -0.0171 (180deg=-0.183) USER MOD Single : A 66 LYS NZ :NH3+ 168:sc=-0.00756 (180deg=-0.155) USER MOD Single : A 67 LYS NZ :NH3+ -173:sc= 0.972 (180deg=0.953) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -12.273 -4.313 -20.697 1.00 0.00 N ATOM 2 CA GLN A 1 -11.767 -3.088 -21.357 1.00 0.00 C ATOM 3 C GLN A 1 -12.164 -1.848 -20.568 1.00 0.00 C ATOM 4 O GLN A 1 -13.350 -1.554 -20.411 1.00 0.00 O ATOM 5 CB GLN A 1 -12.306 -2.985 -22.785 1.00 0.00 C ATOM 6 CG GLN A 1 -11.733 -4.028 -23.730 1.00 0.00 C ATOM 7 CD GLN A 1 -12.270 -3.896 -25.140 1.00 0.00 C ATOM 8 OE1 GLN A 1 -11.716 -3.169 -25.964 1.00 0.00 O ATOM 9 NE2 GLN A 1 -13.347 -4.603 -25.426 1.00 0.00 N ATOM 0 H1 GLN A 1 -11.893 -5.151 -21.182 1.00 0.00 H new ATOM 0 H2 GLN A 1 -11.970 -4.322 -19.702 1.00 0.00 H new ATOM 0 H3 GLN A 1 -13.312 -4.328 -20.742 1.00 0.00 H new ATOM 0 HA GLN A 1 -10.679 -3.150 -21.392 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -13.391 -3.085 -22.763 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -12.085 -1.992 -23.177 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -10.647 -3.938 -23.749 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -11.963 -5.023 -23.349 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -13.774 -5.193 -24.712 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -13.752 -4.559 -26.361 1.00 0.00 H new ATOM 20 N GLY A 2 -11.165 -1.136 -20.067 1.00 0.00 N ATOM 21 CA GLY A 2 -11.420 0.068 -19.308 1.00 0.00 C ATOM 22 C GLY A 2 -11.533 -0.215 -17.829 1.00 0.00 C ATOM 23 O GLY A 2 -11.675 -1.371 -17.419 1.00 0.00 O ATOM 0 H GLY A 2 -10.179 -1.373 -20.174 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -10.616 0.784 -19.481 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -12.341 0.532 -19.661 1.00 0.00 H new ATOM 27 N HIS A 3 -11.465 0.832 -17.027 1.00 0.00 N ATOM 28 CA HIS A 3 -11.596 0.695 -15.586 1.00 0.00 C ATOM 29 C HIS A 3 -12.703 1.606 -15.062 1.00 0.00 C ATOM 30 O HIS A 3 -12.486 2.785 -14.789 1.00 0.00 O ATOM 31 CB HIS A 3 -10.255 0.969 -14.872 1.00 0.00 C ATOM 32 CG HIS A 3 -9.603 2.290 -15.200 1.00 0.00 C ATOM 33 ND1 HIS A 3 -8.814 2.488 -16.315 1.00 0.00 N ATOM 34 CD2 HIS A 3 -9.606 3.475 -14.535 1.00 0.00 C ATOM 35 CE1 HIS A 3 -8.362 3.727 -16.317 1.00 0.00 C ATOM 36 NE2 HIS A 3 -8.828 4.348 -15.254 1.00 0.00 N ATOM 0 H HIS A 3 -11.320 1.789 -17.349 1.00 0.00 H new ATOM 0 HA HIS A 3 -11.873 -0.336 -15.366 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.420 0.922 -13.796 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -9.559 0.168 -15.123 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.124 3.690 -13.612 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.716 4.160 -17.067 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.641 5.319 -15.005 1.00 0.00 H new ATOM 45 N MET A 4 -13.903 1.052 -14.953 1.00 0.00 N ATOM 46 CA MET A 4 -15.065 1.812 -14.508 1.00 0.00 C ATOM 47 C MET A 4 -15.212 1.738 -12.992 1.00 0.00 C ATOM 48 O MET A 4 -15.056 0.674 -12.392 1.00 0.00 O ATOM 49 CB MET A 4 -16.334 1.289 -15.192 1.00 0.00 C ATOM 50 CG MET A 4 -17.590 2.075 -14.838 1.00 0.00 C ATOM 51 SD MET A 4 -19.061 1.486 -15.707 1.00 0.00 S ATOM 52 CE MET A 4 -18.570 1.740 -17.409 1.00 0.00 C ATOM 0 H MET A 4 -14.098 0.074 -15.168 1.00 0.00 H new ATOM 0 HA MET A 4 -14.920 2.856 -14.786 1.00 0.00 H new ATOM 0 HB2 MET A 4 -16.191 1.317 -16.272 1.00 0.00 H new ATOM 0 HB3 MET A 4 -16.480 0.245 -14.917 1.00 0.00 H new ATOM 0 HG2 MET A 4 -17.760 2.012 -13.763 1.00 0.00 H new ATOM 0 HG3 MET A 4 -17.432 3.127 -15.075 1.00 0.00 H new ATOM 0 HE1 MET A 4 -19.455 1.752 -18.045 1.00 0.00 H new ATOM 0 HE2 MET A 4 -18.046 2.692 -17.498 1.00 0.00 H new ATOM 0 HE3 MET A 4 -17.909 0.932 -17.722 1.00 0.00 H new ATOM 62 N ILE A 5 -15.510 2.873 -12.379 1.00 0.00 N ATOM 63 CA ILE A 5 -15.645 2.945 -10.935 1.00 0.00 C ATOM 64 C ILE A 5 -17.049 2.539 -10.494 1.00 0.00 C ATOM 65 O ILE A 5 -18.022 3.234 -10.787 1.00 0.00 O ATOM 66 CB ILE A 5 -15.353 4.368 -10.420 1.00 0.00 C ATOM 67 CG1 ILE A 5 -14.002 4.863 -10.942 1.00 0.00 C ATOM 68 CG2 ILE A 5 -15.386 4.396 -8.899 1.00 0.00 C ATOM 69 CD1 ILE A 5 -13.678 6.291 -10.548 1.00 0.00 C ATOM 0 H ILE A 5 -15.663 3.758 -12.862 1.00 0.00 H new ATOM 0 HA ILE A 5 -14.918 2.252 -10.511 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.127 5.038 -10.794 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.216 4.206 -10.569 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -13.993 4.785 -12.029 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -15.178 5.407 -8.549 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -16.372 4.087 -8.551 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.632 3.714 -8.506 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.706 6.569 -10.955 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -14.442 6.960 -10.944 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.653 6.372 -9.461 1.00 0.00 H new ATOM 81 N MET A 6 -17.155 1.413 -9.801 1.00 0.00 N ATOM 82 CA MET A 6 -18.441 0.975 -9.267 1.00 0.00 C ATOM 83 C MET A 6 -18.432 1.036 -7.741 1.00 0.00 C ATOM 84 O MET A 6 -18.838 2.034 -7.148 1.00 0.00 O ATOM 85 CB MET A 6 -18.780 -0.443 -9.735 1.00 0.00 C ATOM 86 CG MET A 6 -20.157 -0.918 -9.287 1.00 0.00 C ATOM 87 SD MET A 6 -20.461 -2.652 -9.675 1.00 0.00 S ATOM 88 CE MET A 6 -22.165 -2.819 -9.138 1.00 0.00 C ATOM 0 H MET A 6 -16.374 0.790 -9.596 1.00 0.00 H new ATOM 0 HA MET A 6 -19.208 1.651 -9.645 1.00 0.00 H new ATOM 0 HB2 MET A 6 -18.728 -0.480 -10.823 1.00 0.00 H new ATOM 0 HB3 MET A 6 -18.026 -1.132 -9.356 1.00 0.00 H new ATOM 0 HG2 MET A 6 -20.255 -0.769 -8.212 1.00 0.00 H new ATOM 0 HG3 MET A 6 -20.921 -0.305 -9.765 1.00 0.00 H new ATOM 0 HE1 MET A 6 -22.503 -3.841 -9.312 1.00 0.00 H new ATOM 0 HE2 MET A 6 -22.236 -2.590 -8.075 1.00 0.00 H new ATOM 0 HE3 MET A 6 -22.793 -2.128 -9.701 1.00 0.00 H new ATOM 98 N ALA A 7 -17.944 -0.023 -7.107 1.00 0.00 N ATOM 99 CA ALA A 7 -17.868 -0.071 -5.656 1.00 0.00 C ATOM 100 C ALA A 7 -16.420 -0.155 -5.216 1.00 0.00 C ATOM 101 O ALA A 7 -15.948 0.683 -4.449 1.00 0.00 O ATOM 102 CB ALA A 7 -18.663 -1.248 -5.117 1.00 0.00 C ATOM 0 H ALA A 7 -17.596 -0.859 -7.576 1.00 0.00 H new ATOM 0 HA ALA A 7 -18.303 0.843 -5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -18.594 -1.266 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -19.707 -1.147 -5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -18.259 -2.176 -5.522 1.00 0.00 H new ATOM 108 N LYS A 8 -15.724 -1.179 -5.692 1.00 0.00 N ATOM 109 CA LYS A 8 -14.293 -1.293 -5.456 1.00 0.00 C ATOM 110 C LYS A 8 -13.554 -0.127 -6.120 1.00 0.00 C ATOM 111 O LYS A 8 -13.473 -0.035 -7.346 1.00 0.00 O ATOM 112 CB LYS A 8 -13.733 -2.657 -5.927 1.00 0.00 C ATOM 113 CG LYS A 8 -13.877 -2.980 -7.418 1.00 0.00 C ATOM 114 CD LYS A 8 -15.311 -3.311 -7.808 1.00 0.00 C ATOM 115 CE LYS A 8 -15.384 -4.016 -9.154 1.00 0.00 C ATOM 116 NZ LYS A 8 -14.822 -5.397 -9.101 1.00 0.00 N ATOM 0 H LYS A 8 -16.126 -1.939 -6.241 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.126 -1.243 -4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.674 -2.698 -5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.229 -3.444 -5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.531 -2.129 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.232 -3.823 -7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.759 -3.944 -7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.898 -2.393 -7.846 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.422 -4.061 -9.482 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.840 -3.433 -9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.236 -5.970 -9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.790 -5.356 -9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.048 -5.829 -8.182 1.00 0.00 H new ATOM 130 N ARG A 9 -13.065 0.788 -5.293 1.00 0.00 N ATOM 131 CA ARG A 9 -12.363 1.968 -5.762 1.00 0.00 C ATOM 132 C ARG A 9 -11.335 2.401 -4.726 1.00 0.00 C ATOM 133 O ARG A 9 -11.371 1.937 -3.587 1.00 0.00 O ATOM 134 CB ARG A 9 -13.361 3.101 -6.001 1.00 0.00 C ATOM 135 CG ARG A 9 -14.039 3.595 -4.730 1.00 0.00 C ATOM 136 CD ARG A 9 -15.148 4.591 -5.029 1.00 0.00 C ATOM 137 NE ARG A 9 -14.686 5.712 -5.846 1.00 0.00 N ATOM 138 CZ ARG A 9 -15.482 6.691 -6.283 1.00 0.00 C ATOM 139 NH1 ARG A 9 -16.765 6.709 -5.939 1.00 0.00 N ATOM 140 NH2 ARG A 9 -14.990 7.647 -7.058 1.00 0.00 N ATOM 0 H ARG A 9 -13.146 0.730 -4.278 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.854 1.734 -6.697 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.844 3.935 -6.475 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.124 2.760 -6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.451 2.746 -4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.298 4.061 -4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.962 4.081 -5.544 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.553 4.971 -4.091 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.698 5.748 -6.097 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.143 5.975 -5.341 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.372 7.457 -6.273 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.004 7.634 -7.320 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.597 8.395 -7.392 1.00 0.00 H new ATOM 154 N CYS A 10 -10.431 3.284 -5.119 1.00 0.00 N ATOM 155 CA CYS A 10 -9.427 3.786 -4.201 1.00 0.00 C ATOM 156 C CYS A 10 -10.039 4.813 -3.256 1.00 0.00 C ATOM 157 O CYS A 10 -10.625 5.799 -3.702 1.00 0.00 O ATOM 158 CB CYS A 10 -8.267 4.418 -4.969 1.00 0.00 C ATOM 159 SG CYS A 10 -6.906 4.957 -3.915 1.00 0.00 S ATOM 0 H CYS A 10 -10.373 3.665 -6.063 1.00 0.00 H new ATOM 0 HA CYS A 10 -9.048 2.947 -3.617 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.889 3.698 -5.695 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -8.639 5.274 -5.532 1.00 0.00 H new ATOM 0 HG CYS A 10 -6.004 5.549 -4.640 1.00 0.00 H new ATOM 165 N GLU A 11 -9.897 4.582 -1.957 1.00 0.00 N ATOM 166 CA GLU A 11 -10.436 5.493 -0.951 1.00 0.00 C ATOM 167 C GLU A 11 -9.563 6.736 -0.798 1.00 0.00 C ATOM 168 O GLU A 11 -9.934 7.679 -0.103 1.00 0.00 O ATOM 169 CB GLU A 11 -10.564 4.786 0.399 1.00 0.00 C ATOM 170 CG GLU A 11 -11.549 3.634 0.391 1.00 0.00 C ATOM 171 CD GLU A 11 -11.786 3.063 1.772 1.00 0.00 C ATOM 172 OE1 GLU A 11 -12.680 3.568 2.479 1.00 0.00 O ATOM 173 OE2 GLU A 11 -11.107 2.085 2.150 1.00 0.00 O ATOM 0 H GLU A 11 -9.413 3.771 -1.573 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.424 5.806 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.585 4.413 0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.873 5.512 1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.497 3.974 -0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.177 2.847 -0.265 1.00 0.00 H new ATOM 180 N VAL A 12 -8.405 6.729 -1.450 1.00 0.00 N ATOM 181 CA VAL A 12 -7.472 7.844 -1.360 1.00 0.00 C ATOM 182 C VAL A 12 -7.811 8.928 -2.379 1.00 0.00 C ATOM 183 O VAL A 12 -8.221 10.032 -2.016 1.00 0.00 O ATOM 184 CB VAL A 12 -6.013 7.379 -1.577 1.00 0.00 C ATOM 185 CG1 VAL A 12 -5.046 8.545 -1.432 1.00 0.00 C ATOM 186 CG2 VAL A 12 -5.653 6.265 -0.603 1.00 0.00 C ATOM 0 H VAL A 12 -8.091 5.963 -2.046 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.565 8.255 -0.355 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.930 6.990 -2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.026 8.194 -1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.284 9.309 -2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.134 8.968 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.623 5.952 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.759 6.627 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.320 5.417 -0.758 1.00 0.00 H new ATOM 196 N CYS A 13 -7.648 8.611 -3.657 1.00 0.00 N ATOM 197 CA CYS A 13 -7.865 9.593 -4.711 1.00 0.00 C ATOM 198 C CYS A 13 -9.285 9.510 -5.260 1.00 0.00 C ATOM 199 O CYS A 13 -9.801 10.479 -5.818 1.00 0.00 O ATOM 200 CB CYS A 13 -6.851 9.385 -5.832 1.00 0.00 C ATOM 201 SG CYS A 13 -5.130 9.456 -5.282 1.00 0.00 S ATOM 0 H CYS A 13 -7.368 7.687 -3.987 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.730 10.587 -4.284 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.034 8.417 -6.299 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.009 10.144 -6.598 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.659 8.249 -5.173 1.00 0.00 H new ATOM 207 N GLY A 14 -9.912 8.354 -5.089 1.00 0.00 N ATOM 208 CA GLY A 14 -11.256 8.159 -5.598 1.00 0.00 C ATOM 209 C GLY A 14 -11.267 7.454 -6.938 1.00 0.00 C ATOM 210 O GLY A 14 -12.330 7.152 -7.479 1.00 0.00 O ATOM 0 H GLY A 14 -9.514 7.548 -4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.833 7.577 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.749 9.126 -5.695 1.00 0.00 H new ATOM 214 N LYS A 15 -10.081 7.177 -7.462 1.00 0.00 N ATOM 215 CA LYS A 15 -9.941 6.563 -8.777 1.00 0.00 C ATOM 216 C LYS A 15 -10.224 5.065 -8.734 1.00 0.00 C ATOM 217 O LYS A 15 -10.278 4.463 -7.656 1.00 0.00 O ATOM 218 CB LYS A 15 -8.537 6.804 -9.335 1.00 0.00 C ATOM 219 CG LYS A 15 -8.258 8.257 -9.688 1.00 0.00 C ATOM 220 CD LYS A 15 -6.890 8.426 -10.330 1.00 0.00 C ATOM 221 CE LYS A 15 -6.756 7.599 -11.606 1.00 0.00 C ATOM 222 NZ LYS A 15 -7.760 7.986 -12.637 1.00 0.00 N ATOM 0 H LYS A 15 -9.196 7.369 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.677 7.030 -9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.803 6.470 -8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.400 6.191 -10.226 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.027 8.620 -10.369 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.315 8.868 -8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.724 9.478 -10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.117 8.129 -9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.753 7.724 -12.014 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.873 6.542 -11.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.547 7.497 -13.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.711 7.717 -12.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.723 9.014 -12.788 1.00 0.00 H new ATOM 236 N ALA A 16 -10.403 4.475 -9.912 1.00 0.00 N ATOM 237 CA ALA A 16 -10.616 3.037 -10.027 1.00 0.00 C ATOM 238 C ALA A 16 -9.292 2.300 -9.850 1.00 0.00 C ATOM 239 O ALA A 16 -8.246 2.783 -10.285 1.00 0.00 O ATOM 240 CB ALA A 16 -11.240 2.693 -11.374 1.00 0.00 C ATOM 0 H ALA A 16 -10.405 4.973 -10.802 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.304 2.721 -9.243 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.391 1.616 -11.440 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.200 3.201 -11.471 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.576 3.016 -12.176 1.00 0.00 H new ATOM 246 N PRO A 17 -9.320 1.125 -9.215 1.00 0.00 N ATOM 247 CA PRO A 17 -8.113 0.371 -8.895 1.00 0.00 C ATOM 248 C PRO A 17 -7.635 -0.529 -10.030 1.00 0.00 C ATOM 249 O PRO A 17 -8.420 -0.984 -10.863 1.00 0.00 O ATOM 250 CB PRO A 17 -8.560 -0.469 -7.707 1.00 0.00 C ATOM 251 CG PRO A 17 -10.006 -0.741 -7.958 1.00 0.00 C ATOM 252 CD PRO A 17 -10.535 0.433 -8.747 1.00 0.00 C ATOM 0 HA PRO A 17 -7.264 1.028 -8.703 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.989 -1.395 -7.639 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.415 0.065 -6.768 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.135 -1.670 -8.513 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.548 -0.853 -7.019 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.155 0.106 -9.582 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.152 1.084 -8.128 1.00 0.00 H new ATOM 260 N ARG A 18 -6.331 -0.765 -10.058 1.00 0.00 N ATOM 261 CA ARG A 18 -5.738 -1.716 -10.982 1.00 0.00 C ATOM 262 C ARG A 18 -4.990 -2.778 -10.187 1.00 0.00 C ATOM 263 O ARG A 18 -3.905 -2.519 -9.657 1.00 0.00 O ATOM 264 CB ARG A 18 -4.780 -1.018 -11.959 1.00 0.00 C ATOM 265 CG ARG A 18 -5.446 0.044 -12.821 1.00 0.00 C ATOM 266 CD ARG A 18 -4.468 0.679 -13.800 1.00 0.00 C ATOM 267 NE ARG A 18 -3.962 -0.281 -14.784 1.00 0.00 N ATOM 268 CZ ARG A 18 -3.761 0.003 -16.071 1.00 0.00 C ATOM 269 NH1 ARG A 18 -3.985 1.228 -16.526 1.00 0.00 N ATOM 270 NH2 ARG A 18 -3.308 -0.929 -16.894 1.00 0.00 N ATOM 0 H ARG A 18 -5.659 -0.305 -9.444 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.532 -2.179 -11.569 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.971 -0.557 -11.392 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.328 -1.768 -12.608 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.273 -0.403 -13.373 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.871 0.817 -12.181 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.960 1.502 -14.319 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.630 1.105 -13.248 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.750 -1.226 -14.464 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.312 1.956 -15.891 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.830 1.442 -17.511 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.112 -1.867 -16.544 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.155 -0.710 -17.878 1.00 0.00 H new ATOM 284 N SER A 19 -5.585 -3.958 -10.073 1.00 0.00 N ATOM 285 CA SER A 19 -5.002 -5.034 -9.288 1.00 0.00 C ATOM 286 C SER A 19 -3.758 -5.594 -9.976 1.00 0.00 C ATOM 287 O SER A 19 -3.745 -5.789 -11.196 1.00 0.00 O ATOM 288 CB SER A 19 -6.043 -6.134 -9.055 1.00 0.00 C ATOM 289 OG SER A 19 -6.662 -6.522 -10.273 1.00 0.00 O ATOM 0 H SER A 19 -6.473 -4.193 -10.516 1.00 0.00 H new ATOM 0 HA SER A 19 -4.695 -4.637 -8.321 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.565 -6.999 -8.595 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.800 -5.779 -8.356 1.00 0.00 H new ATOM 0 HG SER A 19 -7.320 -7.226 -10.096 1.00 0.00 H new ATOM 295 N GLY A 20 -2.719 -5.847 -9.194 1.00 0.00 N ATOM 296 CA GLY A 20 -1.483 -6.356 -9.748 1.00 0.00 C ATOM 297 C GLY A 20 -1.519 -7.855 -9.963 1.00 0.00 C ATOM 298 O GLY A 20 -2.529 -8.506 -9.680 1.00 0.00 O ATOM 0 H GLY A 20 -2.711 -5.708 -8.184 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.283 -5.860 -10.698 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.659 -6.108 -9.079 1.00 0.00 H new ATOM 302 N ASN A 21 -0.416 -8.403 -10.466 1.00 0.00 N ATOM 303 CA ASN A 21 -0.298 -9.842 -10.706 1.00 0.00 C ATOM 304 C ASN A 21 -0.523 -10.624 -9.416 1.00 0.00 C ATOM 305 O ASN A 21 -1.194 -11.654 -9.421 1.00 0.00 O ATOM 306 CB ASN A 21 1.078 -10.171 -11.299 1.00 0.00 C ATOM 307 CG ASN A 21 1.267 -11.656 -11.551 1.00 0.00 C ATOM 308 OD1 ASN A 21 1.749 -12.387 -10.689 1.00 0.00 O ATOM 309 ND2 ASN A 21 0.907 -12.112 -12.742 1.00 0.00 N ATOM 0 H ASN A 21 0.416 -7.869 -10.718 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.066 -10.136 -11.422 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.204 -9.629 -12.236 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.855 -9.820 -10.620 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.027 -13.099 -12.968 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.510 -11.476 -13.433 1.00 0.00 H new ATOM 316 N THR A 22 0.022 -10.099 -8.319 1.00 0.00 N ATOM 317 CA THR A 22 -0.131 -10.696 -6.994 1.00 0.00 C ATOM 318 C THR A 22 0.675 -11.991 -6.868 1.00 0.00 C ATOM 319 O THR A 22 0.280 -13.046 -7.364 1.00 0.00 O ATOM 320 CB THR A 22 -1.617 -10.966 -6.661 1.00 0.00 C ATOM 321 OG1 THR A 22 -2.396 -9.786 -6.918 1.00 0.00 O ATOM 322 CG2 THR A 22 -1.787 -11.374 -5.205 1.00 0.00 C ATOM 0 H THR A 22 0.583 -9.247 -8.325 1.00 0.00 H new ATOM 0 HA THR A 22 0.258 -9.974 -6.276 1.00 0.00 H new ATOM 0 HB THR A 22 -1.962 -11.784 -7.294 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.434 -9.623 -7.884 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.842 -11.557 -4.999 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.216 -12.283 -5.013 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.425 -10.575 -4.558 1.00 0.00 H new ATOM 330 N VAL A 23 1.814 -11.899 -6.195 1.00 0.00 N ATOM 331 CA VAL A 23 2.691 -13.046 -6.012 1.00 0.00 C ATOM 332 C VAL A 23 2.330 -13.785 -4.728 1.00 0.00 C ATOM 333 O VAL A 23 2.408 -15.012 -4.655 1.00 0.00 O ATOM 334 CB VAL A 23 4.176 -12.617 -5.962 1.00 0.00 C ATOM 335 CG1 VAL A 23 5.096 -13.827 -5.858 1.00 0.00 C ATOM 336 CG2 VAL A 23 4.533 -11.777 -7.179 1.00 0.00 C ATOM 0 H VAL A 23 2.153 -11.038 -5.765 1.00 0.00 H new ATOM 0 HA VAL A 23 2.553 -13.709 -6.866 1.00 0.00 H new ATOM 0 HB VAL A 23 4.318 -12.009 -5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.133 -13.494 -5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.864 -14.383 -4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.950 -14.471 -6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.582 -11.485 -7.125 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.365 -12.359 -8.085 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.909 -10.884 -7.200 1.00 0.00 H new ATOM 346 N SER A 24 1.918 -13.026 -3.723 1.00 0.00 N ATOM 347 CA SER A 24 1.534 -13.594 -2.440 1.00 0.00 C ATOM 348 C SER A 24 0.208 -14.341 -2.562 1.00 0.00 C ATOM 349 O SER A 24 -0.831 -13.737 -2.828 1.00 0.00 O ATOM 350 CB SER A 24 1.420 -12.479 -1.399 1.00 0.00 C ATOM 351 OG SER A 24 2.601 -11.689 -1.372 1.00 0.00 O ATOM 0 H SER A 24 1.841 -12.010 -3.773 1.00 0.00 H new ATOM 0 HA SER A 24 2.299 -14.303 -2.123 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.561 -11.848 -1.628 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.244 -12.912 -0.414 1.00 0.00 H new ATOM 0 HG SER A 24 2.506 -10.981 -0.701 1.00 0.00 H new ATOM 357 N HIS A 25 0.252 -15.660 -2.386 1.00 0.00 N ATOM 358 CA HIS A 25 -0.952 -16.477 -2.490 1.00 0.00 C ATOM 359 C HIS A 25 -1.866 -16.245 -1.291 1.00 0.00 C ATOM 360 O HIS A 25 -1.512 -15.529 -0.352 1.00 0.00 O ATOM 361 CB HIS A 25 -0.608 -17.972 -2.614 1.00 0.00 C ATOM 362 CG HIS A 25 -0.035 -18.596 -1.374 1.00 0.00 C ATOM 363 ND1 HIS A 25 -0.802 -19.247 -0.427 1.00 0.00 N ATOM 364 CD2 HIS A 25 1.243 -18.682 -0.938 1.00 0.00 C ATOM 365 CE1 HIS A 25 -0.019 -19.703 0.532 1.00 0.00 C ATOM 366 NE2 HIS A 25 1.225 -19.373 0.244 1.00 0.00 N ATOM 0 H HIS A 25 1.102 -16.181 -2.172 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.477 -16.175 -3.396 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.511 -18.515 -2.892 1.00 0.00 H new ATOM 0 HB3 HIS A 25 0.104 -18.099 -3.429 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.815 -19.358 -0.464 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.116 -18.280 -1.431 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -0.342 -20.253 1.404 1.00 0.00 H new ATOM 375 N SER A 26 -3.035 -16.859 -1.318 1.00 0.00 N ATOM 376 CA SER A 26 -4.008 -16.684 -0.260 1.00 0.00 C ATOM 377 C SER A 26 -4.089 -17.935 0.603 1.00 0.00 C ATOM 378 O SER A 26 -3.505 -18.970 0.270 1.00 0.00 O ATOM 379 CB SER A 26 -5.373 -16.366 -0.868 1.00 0.00 C ATOM 380 OG SER A 26 -5.269 -15.279 -1.778 1.00 0.00 O ATOM 0 H SER A 26 -3.333 -17.486 -2.066 1.00 0.00 H new ATOM 0 HA SER A 26 -3.698 -15.854 0.375 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.762 -17.244 -1.383 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.082 -16.120 -0.077 1.00 0.00 H new ATOM 0 HG SER A 26 -5.395 -15.605 -2.693 1.00 0.00 H new ATOM 386 N ASP A 27 -4.796 -17.822 1.716 1.00 0.00 N ATOM 387 CA ASP A 27 -5.009 -18.949 2.609 1.00 0.00 C ATOM 388 C ASP A 27 -6.194 -19.775 2.134 1.00 0.00 C ATOM 389 O ASP A 27 -7.317 -19.273 2.045 1.00 0.00 O ATOM 390 CB ASP A 27 -5.245 -18.454 4.037 1.00 0.00 C ATOM 391 CG ASP A 27 -5.680 -19.560 4.977 1.00 0.00 C ATOM 392 OD1 ASP A 27 -4.893 -20.506 5.201 1.00 0.00 O ATOM 393 OD2 ASP A 27 -6.810 -19.484 5.504 1.00 0.00 O ATOM 0 H ASP A 27 -5.235 -16.954 2.024 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.119 -19.578 2.601 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.329 -18.001 4.416 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.006 -17.673 4.025 1.00 0.00 H new ATOM 398 N LYS A 28 -5.939 -21.034 1.810 1.00 0.00 N ATOM 399 CA LYS A 28 -6.971 -21.913 1.293 1.00 0.00 C ATOM 400 C LYS A 28 -7.926 -22.342 2.406 1.00 0.00 C ATOM 401 O LYS A 28 -7.740 -23.377 3.050 1.00 0.00 O ATOM 402 CB LYS A 28 -6.340 -23.127 0.604 1.00 0.00 C ATOM 403 CG LYS A 28 -7.347 -24.104 0.020 1.00 0.00 C ATOM 404 CD LYS A 28 -6.657 -25.170 -0.812 1.00 0.00 C ATOM 405 CE LYS A 28 -7.610 -26.296 -1.182 1.00 0.00 C ATOM 406 NZ LYS A 28 -7.988 -27.115 -0.001 1.00 0.00 N ATOM 0 H LYS A 28 -5.021 -21.469 1.898 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.553 -21.367 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.684 -22.778 -0.194 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.714 -23.654 1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.910 -24.575 0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.065 -23.565 -0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.255 -24.720 -1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.812 -25.576 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.508 -25.877 -1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.143 -26.935 -1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.421 -28.005 -0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.139 -27.325 0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.669 -26.589 0.583 1.00 0.00 H new ATOM 420 N LYS A 29 -8.925 -21.511 2.638 1.00 0.00 N ATOM 421 CA LYS A 29 -9.956 -21.767 3.631 1.00 0.00 C ATOM 422 C LYS A 29 -11.161 -20.907 3.271 1.00 0.00 C ATOM 423 O LYS A 29 -12.271 -21.411 3.082 1.00 0.00 O ATOM 424 CB LYS A 29 -9.426 -21.438 5.041 1.00 0.00 C ATOM 425 CG LYS A 29 -10.334 -21.849 6.200 1.00 0.00 C ATOM 426 CD LYS A 29 -11.534 -20.922 6.345 1.00 0.00 C ATOM 427 CE LYS A 29 -12.216 -21.085 7.694 1.00 0.00 C ATOM 428 NZ LYS A 29 -11.331 -20.666 8.818 1.00 0.00 N ATOM 0 H LYS A 29 -9.046 -20.630 2.138 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.245 -22.818 3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.460 -21.926 5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.252 -20.364 5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.682 -22.870 6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.761 -21.847 7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.211 -19.888 6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.250 -21.127 5.549 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.131 -20.493 7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.507 -22.126 7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.912 -20.434 9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.681 -21.442 9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.782 -19.829 8.534 1.00 0.00 H new ATOM 442 N SER A 30 -10.919 -19.609 3.171 1.00 0.00 N ATOM 443 CA SER A 30 -11.907 -18.680 2.656 1.00 0.00 C ATOM 444 C SER A 30 -11.551 -18.333 1.211 1.00 0.00 C ATOM 445 O SER A 30 -10.595 -17.600 0.956 1.00 0.00 O ATOM 446 CB SER A 30 -11.940 -17.411 3.511 1.00 0.00 C ATOM 447 OG SER A 30 -12.000 -17.727 4.895 1.00 0.00 O ATOM 0 H SER A 30 -10.037 -19.174 3.443 1.00 0.00 H new ATOM 0 HA SER A 30 -12.895 -19.140 2.691 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.053 -16.811 3.310 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.804 -16.806 3.235 1.00 0.00 H new ATOM 0 HG SER A 30 -12.018 -16.899 5.419 1.00 0.00 H new ATOM 453 N GLU A 31 -12.312 -18.871 0.272 1.00 0.00 N ATOM 454 CA GLU A 31 -11.988 -18.741 -1.146 1.00 0.00 C ATOM 455 C GLU A 31 -12.580 -17.468 -1.746 1.00 0.00 C ATOM 456 O GLU A 31 -12.671 -17.331 -2.966 1.00 0.00 O ATOM 457 CB GLU A 31 -12.463 -19.972 -1.931 1.00 0.00 C ATOM 458 CG GLU A 31 -13.955 -20.265 -1.823 1.00 0.00 C ATOM 459 CD GLU A 31 -14.345 -20.868 -0.490 1.00 0.00 C ATOM 460 OE1 GLU A 31 -14.303 -22.109 -0.356 1.00 0.00 O ATOM 461 OE2 GLU A 31 -14.697 -20.103 0.431 1.00 0.00 O ATOM 0 H GLU A 31 -13.161 -19.404 0.463 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.903 -18.674 -1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.210 -19.835 -2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.910 -20.844 -1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.513 -19.341 -1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.244 -20.947 -2.623 1.00 0.00 H new ATOM 468 N ARG A 32 -12.965 -16.529 -0.894 1.00 0.00 N ATOM 469 CA ARG A 32 -13.485 -15.255 -1.358 1.00 0.00 C ATOM 470 C ARG A 32 -12.662 -14.111 -0.793 1.00 0.00 C ATOM 471 O ARG A 32 -12.300 -14.115 0.386 1.00 0.00 O ATOM 472 CB ARG A 32 -14.955 -15.088 -0.973 1.00 0.00 C ATOM 473 CG ARG A 32 -15.856 -16.141 -1.590 1.00 0.00 C ATOM 474 CD ARG A 32 -17.316 -15.878 -1.279 1.00 0.00 C ATOM 475 NE ARG A 32 -18.179 -16.943 -1.787 1.00 0.00 N ATOM 476 CZ ARG A 32 -19.466 -17.071 -1.475 1.00 0.00 C ATOM 477 NH1 ARG A 32 -20.072 -16.137 -0.755 1.00 0.00 N ATOM 478 NH2 ARG A 32 -20.155 -18.121 -1.900 1.00 0.00 N ATOM 0 H ARG A 32 -12.926 -16.627 0.121 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.414 -15.238 -2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.047 -15.131 0.112 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.296 -14.100 -1.283 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.711 -16.157 -2.670 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -15.575 -17.125 -1.216 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -17.447 -15.787 -0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.616 -14.927 -1.718 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.769 -17.630 -2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.551 -15.319 -0.439 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.059 -16.237 -0.517 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.699 -18.834 -2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -21.142 -18.215 -1.659 1.00 0.00 H new ATOM 492 N TRP A 33 -12.345 -13.148 -1.643 1.00 0.00 N ATOM 493 CA TRP A 33 -11.557 -12.004 -1.235 1.00 0.00 C ATOM 494 C TRP A 33 -12.440 -10.773 -1.093 1.00 0.00 C ATOM 495 O TRP A 33 -13.198 -10.438 -2.003 1.00 0.00 O ATOM 496 CB TRP A 33 -10.449 -11.725 -2.250 1.00 0.00 C ATOM 497 CG TRP A 33 -9.528 -12.884 -2.468 1.00 0.00 C ATOM 498 CD1 TRP A 33 -8.310 -13.084 -1.895 1.00 0.00 C ATOM 499 CD2 TRP A 33 -9.759 -14.002 -3.322 1.00 0.00 C ATOM 500 NE1 TRP A 33 -7.763 -14.259 -2.351 1.00 0.00 N ATOM 501 CE2 TRP A 33 -8.638 -14.843 -3.229 1.00 0.00 C ATOM 502 CE3 TRP A 33 -10.812 -14.367 -4.160 1.00 0.00 C ATOM 503 CZ2 TRP A 33 -8.540 -16.034 -3.946 1.00 0.00 C ATOM 504 CZ3 TRP A 33 -10.720 -15.549 -4.871 1.00 0.00 C ATOM 505 CH2 TRP A 33 -9.588 -16.370 -4.763 1.00 0.00 C ATOM 0 H TRP A 33 -12.624 -13.139 -2.624 1.00 0.00 H new ATOM 0 HA TRP A 33 -11.105 -12.232 -0.270 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -10.902 -11.448 -3.202 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -9.867 -10.868 -1.912 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -7.842 -12.417 -1.186 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -6.854 -14.635 -2.080 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -11.684 -13.737 -4.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -7.670 -16.669 -3.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -11.532 -15.845 -5.519 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -9.541 -17.285 -5.335 1.00 0.00 H new ATOM 516 N PHE A 34 -12.351 -10.108 0.048 1.00 0.00 N ATOM 517 CA PHE A 34 -13.071 -8.862 0.252 1.00 0.00 C ATOM 518 C PHE A 34 -12.340 -7.731 -0.454 1.00 0.00 C ATOM 519 O PHE A 34 -11.284 -7.293 0.000 1.00 0.00 O ATOM 520 CB PHE A 34 -13.219 -8.555 1.745 1.00 0.00 C ATOM 521 CG PHE A 34 -14.097 -9.532 2.477 1.00 0.00 C ATOM 522 CD1 PHE A 34 -15.463 -9.321 2.565 1.00 0.00 C ATOM 523 CD2 PHE A 34 -13.555 -10.655 3.085 1.00 0.00 C ATOM 524 CE1 PHE A 34 -16.274 -10.212 3.244 1.00 0.00 C ATOM 525 CE2 PHE A 34 -14.362 -11.550 3.762 1.00 0.00 C ATOM 526 CZ PHE A 34 -15.723 -11.326 3.842 1.00 0.00 C ATOM 0 H PHE A 34 -11.789 -10.409 0.844 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.071 -8.961 -0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.231 -8.551 2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -13.630 -7.552 1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.900 -8.451 2.098 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.491 -10.832 3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -17.338 -10.036 3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.929 -12.423 4.228 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.355 -12.023 4.372 1.00 0.00 H new ATOM 536 N ARG A 35 -12.914 -7.277 -1.567 1.00 0.00 N ATOM 537 CA ARG A 35 -12.295 -6.270 -2.431 1.00 0.00 C ATOM 538 C ARG A 35 -11.006 -6.818 -3.043 1.00 0.00 C ATOM 539 O ARG A 35 -9.906 -6.443 -2.641 1.00 0.00 O ATOM 540 CB ARG A 35 -12.007 -4.949 -1.687 1.00 0.00 C ATOM 541 CG ARG A 35 -13.238 -4.250 -1.124 1.00 0.00 C ATOM 542 CD ARG A 35 -13.630 -4.788 0.243 1.00 0.00 C ATOM 543 NE ARG A 35 -14.854 -4.172 0.755 1.00 0.00 N ATOM 544 CZ ARG A 35 -15.207 -4.167 2.043 1.00 0.00 C ATOM 545 NH1 ARG A 35 -14.405 -4.699 2.959 1.00 0.00 N ATOM 546 NH2 ARG A 35 -16.361 -3.625 2.412 1.00 0.00 N ATOM 0 H ARG A 35 -13.824 -7.598 -1.897 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.010 -6.046 -3.222 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.316 -5.153 -0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.500 -4.267 -2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -13.044 -3.180 -1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -14.072 -4.375 -1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.769 -5.867 0.179 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.816 -4.612 0.947 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.477 -3.718 0.087 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.516 -5.113 2.680 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.678 -4.693 3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.978 -3.213 1.712 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.631 -3.621 3.396 1.00 0.00 H new ATOM 560 N PRO A 36 -11.127 -7.724 -4.032 1.00 0.00 N ATOM 561 CA PRO A 36 -9.976 -8.406 -4.633 1.00 0.00 C ATOM 562 C PRO A 36 -9.266 -7.559 -5.688 1.00 0.00 C ATOM 563 O PRO A 36 -8.347 -8.026 -6.359 1.00 0.00 O ATOM 564 CB PRO A 36 -10.610 -9.635 -5.280 1.00 0.00 C ATOM 565 CG PRO A 36 -11.983 -9.194 -5.660 1.00 0.00 C ATOM 566 CD PRO A 36 -12.400 -8.162 -4.639 1.00 0.00 C ATOM 0 HA PRO A 36 -9.206 -8.631 -3.895 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.043 -9.961 -6.152 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.641 -10.476 -4.587 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.990 -8.771 -6.665 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.674 -10.037 -5.664 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.927 -7.330 -5.105 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.072 -8.587 -3.894 1.00 0.00 H new ATOM 574 N ASN A 37 -9.705 -6.319 -5.841 1.00 0.00 N ATOM 575 CA ASN A 37 -9.103 -5.408 -6.810 1.00 0.00 C ATOM 576 C ASN A 37 -8.378 -4.288 -6.083 1.00 0.00 C ATOM 577 O ASN A 37 -7.837 -3.373 -6.704 1.00 0.00 O ATOM 578 CB ASN A 37 -10.173 -4.801 -7.728 1.00 0.00 C ATOM 579 CG ASN A 37 -10.975 -5.839 -8.494 1.00 0.00 C ATOM 580 OD1 ASN A 37 -12.155 -5.634 -8.773 1.00 0.00 O ATOM 581 ND2 ASN A 37 -10.349 -6.954 -8.840 1.00 0.00 N ATOM 0 H ASN A 37 -10.476 -5.918 -5.308 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.398 -5.975 -7.417 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.854 -4.197 -7.129 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.692 -4.129 -8.438 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.847 -7.679 -9.356 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.369 -7.087 -8.590 1.00 0.00 H new ATOM 588 N LEU A 38 -8.359 -4.375 -4.766 1.00 0.00 N ATOM 589 CA LEU A 38 -7.858 -3.294 -3.939 1.00 0.00 C ATOM 590 C LEU A 38 -6.787 -3.784 -2.984 1.00 0.00 C ATOM 591 O LEU A 38 -6.975 -4.773 -2.273 1.00 0.00 O ATOM 592 CB LEU A 38 -9.020 -2.668 -3.171 1.00 0.00 C ATOM 593 CG LEU A 38 -9.985 -1.863 -4.038 1.00 0.00 C ATOM 594 CD1 LEU A 38 -11.346 -1.751 -3.372 1.00 0.00 C ATOM 595 CD2 LEU A 38 -9.412 -0.483 -4.309 1.00 0.00 C ATOM 0 H LEU A 38 -8.687 -5.188 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.401 -2.542 -4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.576 -3.459 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.618 -2.017 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.115 -2.384 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.016 -1.173 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.760 -2.748 -3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.240 -1.251 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.107 0.084 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.258 0.039 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.459 -0.580 -4.829 1.00 0.00 H new ATOM 607 N GLN A 39 -5.668 -3.082 -2.972 1.00 0.00 N ATOM 608 CA GLN A 39 -4.569 -3.425 -2.096 1.00 0.00 C ATOM 609 C GLN A 39 -4.822 -2.838 -0.719 1.00 0.00 C ATOM 610 O GLN A 39 -4.463 -1.696 -0.434 1.00 0.00 O ATOM 611 CB GLN A 39 -3.240 -2.917 -2.657 1.00 0.00 C ATOM 612 CG GLN A 39 -2.969 -3.344 -4.093 1.00 0.00 C ATOM 613 CD GLN A 39 -2.865 -4.848 -4.269 1.00 0.00 C ATOM 614 OE1 GLN A 39 -3.197 -5.385 -5.323 1.00 0.00 O ATOM 615 NE2 GLN A 39 -2.388 -5.539 -3.242 1.00 0.00 N ATOM 0 H GLN A 39 -5.499 -2.268 -3.563 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.504 -4.511 -2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.228 -1.828 -2.604 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.429 -3.276 -2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.766 -2.966 -4.733 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.042 -2.882 -4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.123 -5.058 -2.383 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.286 -6.552 -3.312 1.00 0.00 H new ATOM 624 N LYS A 40 -5.498 -3.613 0.106 1.00 0.00 N ATOM 625 CA LYS A 40 -5.845 -3.194 1.453 1.00 0.00 C ATOM 626 C LYS A 40 -4.597 -3.018 2.312 1.00 0.00 C ATOM 627 O LYS A 40 -3.877 -3.979 2.594 1.00 0.00 O ATOM 628 CB LYS A 40 -6.799 -4.216 2.081 1.00 0.00 C ATOM 629 CG LYS A 40 -6.339 -5.662 1.916 1.00 0.00 C ATOM 630 CD LYS A 40 -7.324 -6.655 2.517 1.00 0.00 C ATOM 631 CE LYS A 40 -8.691 -6.565 1.857 1.00 0.00 C ATOM 632 NZ LYS A 40 -9.623 -7.610 2.357 1.00 0.00 N ATOM 0 H LYS A 40 -5.822 -4.549 -0.136 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.345 -2.227 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.906 -3.996 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.786 -4.104 1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.208 -5.880 0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.366 -5.787 2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.933 -7.667 2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.423 -6.466 3.586 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.119 -5.580 2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.579 -6.666 0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.359 -7.789 1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.096 -8.488 2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.067 -7.285 3.239 1.00 0.00 H new ATOM 646 N VAL A 41 -4.337 -1.784 2.711 1.00 0.00 N ATOM 647 CA VAL A 41 -3.175 -1.472 3.524 1.00 0.00 C ATOM 648 C VAL A 41 -3.570 -0.611 4.714 1.00 0.00 C ATOM 649 O VAL A 41 -4.577 0.101 4.677 1.00 0.00 O ATOM 650 CB VAL A 41 -2.074 -0.743 2.713 1.00 0.00 C ATOM 651 CG1 VAL A 41 -1.501 -1.655 1.635 1.00 0.00 C ATOM 652 CG2 VAL A 41 -2.606 0.549 2.101 1.00 0.00 C ATOM 0 H VAL A 41 -4.919 -0.978 2.483 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.771 -2.423 3.872 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.270 -0.482 3.401 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.730 -1.121 1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.066 -2.540 2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.296 -1.957 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.812 1.039 1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.436 0.320 1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.951 1.212 2.894 1.00 0.00 H new ATOM 662 N ARG A 42 -2.784 -0.700 5.775 1.00 0.00 N ATOM 663 CA ARG A 42 -2.993 0.124 6.952 1.00 0.00 C ATOM 664 C ARG A 42 -2.143 1.391 6.859 1.00 0.00 C ATOM 665 O ARG A 42 -0.927 1.328 6.666 1.00 0.00 O ATOM 666 CB ARG A 42 -2.660 -0.666 8.222 1.00 0.00 C ATOM 667 CG ARG A 42 -1.256 -1.249 8.233 1.00 0.00 C ATOM 668 CD ARG A 42 -0.995 -2.067 9.484 1.00 0.00 C ATOM 669 NE ARG A 42 0.396 -2.497 9.557 1.00 0.00 N ATOM 670 CZ ARG A 42 0.970 -2.983 10.654 1.00 0.00 C ATOM 671 NH1 ARG A 42 0.259 -3.146 11.764 1.00 0.00 N ATOM 672 NH2 ARG A 42 2.261 -3.293 10.639 1.00 0.00 N ATOM 0 H ARG A 42 -1.992 -1.339 5.844 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.042 0.415 7.001 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.779 -0.013 9.086 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.380 -1.476 8.334 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.116 -1.876 7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.527 -0.442 8.168 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.241 -1.475 10.366 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.648 -2.940 9.493 1.00 0.00 H new ATOM 0 HE ARG A 42 0.965 -2.420 8.714 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.730 -2.898 11.777 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.702 -3.519 12.603 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.808 -3.158 9.789 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.706 -3.666 11.478 1.00 0.00 H new ATOM 686 N VAL A 43 -2.788 2.538 6.972 1.00 0.00 N ATOM 687 CA VAL A 43 -2.105 3.809 6.821 1.00 0.00 C ATOM 688 C VAL A 43 -2.130 4.608 8.119 1.00 0.00 C ATOM 689 O VAL A 43 -3.004 4.416 8.970 1.00 0.00 O ATOM 690 CB VAL A 43 -2.727 4.660 5.693 1.00 0.00 C ATOM 691 CG1 VAL A 43 -2.658 3.924 4.361 1.00 0.00 C ATOM 692 CG2 VAL A 43 -4.165 5.038 6.029 1.00 0.00 C ATOM 0 H VAL A 43 -3.786 2.615 7.168 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.072 3.578 6.560 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.148 5.579 5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.102 4.542 3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.617 3.718 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.206 2.985 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.582 5.637 5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.759 4.133 6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.183 5.615 6.954 1.00 0.00 H new ATOM 702 N VAL A 44 -1.157 5.495 8.263 1.00 0.00 N ATOM 703 CA VAL A 44 -1.087 6.383 9.409 1.00 0.00 C ATOM 704 C VAL A 44 -1.841 7.676 9.122 1.00 0.00 C ATOM 705 O VAL A 44 -1.500 8.415 8.198 1.00 0.00 O ATOM 706 CB VAL A 44 0.373 6.722 9.784 1.00 0.00 C ATOM 707 CG1 VAL A 44 0.423 7.616 11.017 1.00 0.00 C ATOM 708 CG2 VAL A 44 1.179 5.453 10.009 1.00 0.00 C ATOM 0 H VAL A 44 -0.399 5.618 7.592 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.546 5.862 10.249 1.00 0.00 H new ATOM 0 HB VAL A 44 0.818 7.267 8.951 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.461 7.841 11.261 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.112 8.544 10.815 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.045 7.103 11.857 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.204 5.715 10.272 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.732 4.877 10.819 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.180 4.856 9.097 1.00 0.00 H new ATOM 718 N LEU A 45 -2.882 7.928 9.899 1.00 0.00 N ATOM 719 CA LEU A 45 -3.636 9.165 9.791 1.00 0.00 C ATOM 720 C LEU A 45 -2.928 10.274 10.560 1.00 0.00 C ATOM 721 O LEU A 45 -2.212 9.996 11.522 1.00 0.00 O ATOM 722 CB LEU A 45 -5.056 8.967 10.328 1.00 0.00 C ATOM 723 CG LEU A 45 -5.927 8.005 9.517 1.00 0.00 C ATOM 724 CD1 LEU A 45 -7.306 7.868 10.145 1.00 0.00 C ATOM 725 CD2 LEU A 45 -6.051 8.475 8.074 1.00 0.00 C ATOM 0 H LEU A 45 -3.225 7.288 10.615 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.699 9.451 8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.993 8.600 11.352 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.552 9.937 10.367 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.444 7.028 9.523 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.909 7.180 9.553 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.207 7.483 11.160 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.792 8.843 10.173 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.674 7.776 7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.506 9.465 8.052 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.061 8.521 7.620 1.00 0.00 H new ATOM 737 N PRO A 46 -3.120 11.542 10.153 1.00 0.00 N ATOM 738 CA PRO A 46 -2.453 12.691 10.782 1.00 0.00 C ATOM 739 C PRO A 46 -2.682 12.759 12.290 1.00 0.00 C ATOM 740 O PRO A 46 -1.829 13.244 13.037 1.00 0.00 O ATOM 741 CB PRO A 46 -3.079 13.909 10.084 1.00 0.00 C ATOM 742 CG PRO A 46 -4.292 13.390 9.383 1.00 0.00 C ATOM 743 CD PRO A 46 -3.991 11.962 9.044 1.00 0.00 C ATOM 0 HA PRO A 46 -1.371 12.632 10.669 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.344 14.681 10.806 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.380 14.358 9.378 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.173 13.463 10.021 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.501 13.969 8.484 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.897 11.359 8.991 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.491 11.872 8.080 1.00 0.00 H new ATOM 751 N ASP A 47 -3.831 12.259 12.730 1.00 0.00 N ATOM 752 CA ASP A 47 -4.170 12.223 14.150 1.00 0.00 C ATOM 753 C ASP A 47 -3.254 11.261 14.897 1.00 0.00 C ATOM 754 O ASP A 47 -2.985 11.431 16.085 1.00 0.00 O ATOM 755 CB ASP A 47 -5.617 11.764 14.341 1.00 0.00 C ATOM 756 CG ASP A 47 -6.609 12.577 13.540 1.00 0.00 C ATOM 757 OD1 ASP A 47 -6.768 12.298 12.335 1.00 0.00 O ATOM 758 OD2 ASP A 47 -7.242 13.486 14.111 1.00 0.00 O ATOM 0 H ASP A 47 -4.549 11.870 12.119 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.045 13.230 14.547 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.700 10.716 14.054 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.875 11.826 15.398 1.00 0.00 H new ATOM 763 N GLY A 48 -2.767 10.257 14.184 1.00 0.00 N ATOM 764 CA GLY A 48 -1.994 9.206 14.812 1.00 0.00 C ATOM 765 C GLY A 48 -2.751 7.894 14.817 1.00 0.00 C ATOM 766 O GLY A 48 -2.325 6.917 15.433 1.00 0.00 O ATOM 0 H GLY A 48 -2.894 10.151 13.177 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.049 9.081 14.283 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.751 9.492 15.835 1.00 0.00 H new ATOM 770 N THR A 49 -3.890 7.887 14.138 1.00 0.00 N ATOM 771 CA THR A 49 -4.714 6.700 14.037 1.00 0.00 C ATOM 772 C THR A 49 -4.203 5.794 12.927 1.00 0.00 C ATOM 773 O THR A 49 -3.617 6.257 11.949 1.00 0.00 O ATOM 774 CB THR A 49 -6.180 7.063 13.740 1.00 0.00 C ATOM 775 OG1 THR A 49 -6.528 8.295 14.389 1.00 0.00 O ATOM 776 CG2 THR A 49 -7.118 5.961 14.207 1.00 0.00 C ATOM 0 H THR A 49 -4.263 8.699 13.647 1.00 0.00 H new ATOM 0 HA THR A 49 -4.660 6.183 14.995 1.00 0.00 H new ATOM 0 HB THR A 49 -6.286 7.179 12.661 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.462 8.516 14.191 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.148 6.242 13.986 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.876 5.033 13.689 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.004 5.817 15.281 1.00 0.00 H new ATOM 784 N ILE A 50 -4.429 4.512 13.091 1.00 0.00 N ATOM 785 CA ILE A 50 -4.059 3.529 12.089 1.00 0.00 C ATOM 786 C ILE A 50 -5.310 3.053 11.370 1.00 0.00 C ATOM 787 O ILE A 50 -6.134 2.344 11.951 1.00 0.00 O ATOM 788 CB ILE A 50 -3.338 2.315 12.719 1.00 0.00 C ATOM 789 CG1 ILE A 50 -2.142 2.780 13.553 1.00 0.00 C ATOM 790 CG2 ILE A 50 -2.892 1.341 11.635 1.00 0.00 C ATOM 791 CD1 ILE A 50 -1.479 1.668 14.332 1.00 0.00 C ATOM 0 H ILE A 50 -4.874 4.117 13.920 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.372 4.002 11.388 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.036 1.798 13.378 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.406 3.239 12.893 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.472 3.552 14.248 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.386 0.492 12.095 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.763 0.989 11.082 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.208 1.845 10.952 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.640 2.071 14.899 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.201 1.224 15.018 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.117 0.906 13.642 1.00 0.00 H new ATOM 803 N LYS A 51 -5.470 3.457 10.124 1.00 0.00 N ATOM 804 CA LYS A 51 -6.680 3.151 9.392 1.00 0.00 C ATOM 805 C LYS A 51 -6.402 2.192 8.248 1.00 0.00 C ATOM 806 O LYS A 51 -5.435 2.354 7.508 1.00 0.00 O ATOM 807 CB LYS A 51 -7.315 4.432 8.856 1.00 0.00 C ATOM 808 CG LYS A 51 -8.666 4.209 8.201 1.00 0.00 C ATOM 809 CD LYS A 51 -9.261 5.505 7.678 1.00 0.00 C ATOM 810 CE LYS A 51 -10.708 5.303 7.261 1.00 0.00 C ATOM 811 NZ LYS A 51 -11.577 4.990 8.428 1.00 0.00 N ATOM 0 H LYS A 51 -4.779 3.995 9.601 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.374 2.669 10.081 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.430 5.142 9.675 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.640 4.888 8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.559 3.501 7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.350 3.760 8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.204 6.274 8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.679 5.861 6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.073 6.203 6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.768 4.493 6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.569 5.189 8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.476 3.985 8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.294 5.577 9.239 1.00 0.00 H new ATOM 825 N ARG A 52 -7.246 1.186 8.121 1.00 0.00 N ATOM 826 CA ARG A 52 -7.147 0.244 7.020 1.00 0.00 C ATOM 827 C ARG A 52 -8.002 0.738 5.866 1.00 0.00 C ATOM 828 O ARG A 52 -9.212 0.928 6.015 1.00 0.00 O ATOM 829 CB ARG A 52 -7.613 -1.149 7.450 1.00 0.00 C ATOM 830 CG ARG A 52 -6.960 -1.649 8.724 1.00 0.00 C ATOM 831 CD ARG A 52 -7.436 -3.049 9.061 1.00 0.00 C ATOM 832 NE ARG A 52 -7.136 -3.408 10.447 1.00 0.00 N ATOM 833 CZ ARG A 52 -7.106 -4.658 10.909 1.00 0.00 C ATOM 834 NH1 ARG A 52 -7.324 -5.688 10.098 1.00 0.00 N ATOM 835 NH2 ARG A 52 -6.857 -4.885 12.191 1.00 0.00 N ATOM 0 H ARG A 52 -8.011 0.999 8.769 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.105 0.173 6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.694 -1.133 7.589 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.406 -1.855 6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.876 -1.647 8.607 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.193 -0.973 9.547 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.511 -3.117 8.893 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.962 -3.765 8.390 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.937 -2.653 11.103 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.517 -5.527 9.109 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.298 -6.640 10.464 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.688 -4.103 12.824 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.834 -5.842 12.544 1.00 0.00 H new ATOM 849 N MET A 53 -7.385 0.968 4.724 1.00 0.00 N ATOM 850 CA MET A 53 -8.105 1.521 3.590 1.00 0.00 C ATOM 851 C MET A 53 -7.910 0.680 2.344 1.00 0.00 C ATOM 852 O MET A 53 -6.939 -0.068 2.216 1.00 0.00 O ATOM 853 CB MET A 53 -7.676 2.964 3.301 1.00 0.00 C ATOM 854 CG MET A 53 -7.945 3.932 4.439 1.00 0.00 C ATOM 855 SD MET A 53 -7.858 5.660 3.920 1.00 0.00 S ATOM 856 CE MET A 53 -6.251 5.700 3.125 1.00 0.00 C ATOM 0 H MET A 53 -6.396 0.783 4.555 1.00 0.00 H new ATOM 0 HA MET A 53 -9.161 1.514 3.859 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.610 2.976 3.073 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.197 3.315 2.410 1.00 0.00 H new ATOM 0 HG2 MET A 53 -8.932 3.731 4.856 1.00 0.00 H new ATOM 0 HG3 MET A 53 -7.222 3.759 5.236 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.780 6.667 3.304 1.00 0.00 H new ATOM 0 HE2 MET A 53 -5.623 4.909 3.534 1.00 0.00 H new ATOM 0 HE3 MET A 53 -6.372 5.549 2.052 1.00 0.00 H new ATOM 866 N ARG A 54 -8.857 0.811 1.437 1.00 0.00 N ATOM 867 CA ARG A 54 -8.788 0.175 0.141 1.00 0.00 C ATOM 868 C ARG A 54 -8.041 1.083 -0.831 1.00 0.00 C ATOM 869 O ARG A 54 -8.593 2.066 -1.331 1.00 0.00 O ATOM 870 CB ARG A 54 -10.200 -0.097 -0.365 1.00 0.00 C ATOM 871 CG ARG A 54 -10.978 -1.076 0.502 1.00 0.00 C ATOM 872 CD ARG A 54 -12.481 -0.923 0.318 1.00 0.00 C ATOM 873 NE ARG A 54 -12.979 0.320 0.908 1.00 0.00 N ATOM 874 CZ ARG A 54 -14.236 0.762 0.799 1.00 0.00 C ATOM 875 NH1 ARG A 54 -15.130 0.082 0.091 1.00 0.00 N ATOM 876 NH2 ARG A 54 -14.597 1.891 1.400 1.00 0.00 N ATOM 0 H ARG A 54 -9.701 1.366 1.581 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.253 -0.771 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.747 0.845 -0.416 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.144 -0.489 -1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.683 -2.095 0.253 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.722 -0.917 1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.720 -0.942 -0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.991 -1.771 0.774 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.321 0.889 1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.860 -0.784 -0.375 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.087 0.426 0.013 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.915 2.420 1.944 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.556 2.229 1.317 1.00 0.00 H new ATOM 890 N VAL A 55 -6.778 0.772 -1.066 1.00 0.00 N ATOM 891 CA VAL A 55 -5.933 1.613 -1.897 1.00 0.00 C ATOM 892 C VAL A 55 -5.518 0.871 -3.162 1.00 0.00 C ATOM 893 O VAL A 55 -5.338 -0.343 -3.149 1.00 0.00 O ATOM 894 CB VAL A 55 -4.672 2.070 -1.127 1.00 0.00 C ATOM 895 CG1 VAL A 55 -3.899 3.111 -1.925 1.00 0.00 C ATOM 896 CG2 VAL A 55 -5.048 2.616 0.246 1.00 0.00 C ATOM 0 H VAL A 55 -6.315 -0.057 -0.693 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.512 2.495 -2.171 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.028 1.202 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.016 3.418 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.592 2.683 -2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.535 3.978 -2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.147 2.932 0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.717 3.469 0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.550 1.838 0.822 1.00 0.00 H new ATOM 906 N CYS A 56 -5.397 1.598 -4.259 1.00 0.00 N ATOM 907 CA CYS A 56 -4.969 1.005 -5.510 1.00 0.00 C ATOM 908 C CYS A 56 -3.451 1.075 -5.633 1.00 0.00 C ATOM 909 O CYS A 56 -2.814 1.958 -5.052 1.00 0.00 O ATOM 910 CB CYS A 56 -5.628 1.724 -6.686 1.00 0.00 C ATOM 911 SG CYS A 56 -5.262 3.490 -6.759 1.00 0.00 S ATOM 0 H CYS A 56 -5.589 2.599 -4.307 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.273 -0.042 -5.525 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.301 1.256 -7.615 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.708 1.589 -6.623 1.00 0.00 H new ATOM 0 HG CYS A 56 -5.775 4.083 -5.722 1.00 0.00 H new ATOM 917 N THR A 57 -2.881 0.146 -6.391 1.00 0.00 N ATOM 918 CA THR A 57 -1.438 0.094 -6.624 1.00 0.00 C ATOM 919 C THR A 57 -0.916 1.404 -7.225 1.00 0.00 C ATOM 920 O THR A 57 0.249 1.763 -7.048 1.00 0.00 O ATOM 921 CB THR A 57 -1.105 -1.070 -7.573 1.00 0.00 C ATOM 922 OG1 THR A 57 -2.091 -2.099 -7.420 1.00 0.00 O ATOM 923 CG2 THR A 57 0.277 -1.639 -7.275 1.00 0.00 C ATOM 0 H THR A 57 -3.403 -0.593 -6.862 1.00 0.00 H new ATOM 0 HA THR A 57 -0.951 -0.057 -5.661 1.00 0.00 H new ATOM 0 HB THR A 57 -1.108 -0.697 -8.597 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.641 -2.148 -8.229 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.488 -2.460 -7.960 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.027 -0.859 -7.403 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.306 -2.006 -6.249 1.00 0.00 H new ATOM 931 N SER A 58 -1.791 2.118 -7.925 1.00 0.00 N ATOM 932 CA SER A 58 -1.431 3.390 -8.534 1.00 0.00 C ATOM 933 C SER A 58 -1.077 4.408 -7.451 1.00 0.00 C ATOM 934 O SER A 58 -0.036 5.068 -7.520 1.00 0.00 O ATOM 935 CB SER A 58 -2.593 3.899 -9.391 1.00 0.00 C ATOM 936 OG SER A 58 -2.214 5.008 -10.189 1.00 0.00 O ATOM 0 H SER A 58 -2.758 1.835 -8.084 1.00 0.00 H new ATOM 0 HA SER A 58 -0.559 3.250 -9.173 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.950 3.094 -10.034 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.424 4.183 -8.745 1.00 0.00 H new ATOM 0 HG SER A 58 -2.981 5.304 -10.723 1.00 0.00 H new ATOM 942 N CYS A 59 -1.941 4.512 -6.443 1.00 0.00 N ATOM 943 CA CYS A 59 -1.705 5.382 -5.302 1.00 0.00 C ATOM 944 C CYS A 59 -0.531 4.881 -4.468 1.00 0.00 C ATOM 945 O CYS A 59 0.196 5.669 -3.871 1.00 0.00 O ATOM 946 CB CYS A 59 -2.965 5.471 -4.444 1.00 0.00 C ATOM 947 SG CYS A 59 -4.349 6.300 -5.263 1.00 0.00 S ATOM 0 H CYS A 59 -2.820 3.996 -6.398 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.456 6.376 -5.673 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.273 4.464 -4.161 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.729 6.003 -3.522 1.00 0.00 H new ATOM 0 HG CYS A 59 -4.836 5.524 -6.185 1.00 0.00 H new ATOM 953 N LEU A 60 -0.367 3.568 -4.415 1.00 0.00 N ATOM 954 CA LEU A 60 0.740 2.964 -3.688 1.00 0.00 C ATOM 955 C LEU A 60 2.083 3.391 -4.280 1.00 0.00 C ATOM 956 O LEU A 60 2.950 3.910 -3.571 1.00 0.00 O ATOM 957 CB LEU A 60 0.620 1.437 -3.723 1.00 0.00 C ATOM 958 CG LEU A 60 -0.596 0.853 -3.004 1.00 0.00 C ATOM 959 CD1 LEU A 60 -0.561 -0.662 -3.075 1.00 0.00 C ATOM 960 CD2 LEU A 60 -0.644 1.318 -1.558 1.00 0.00 C ATOM 0 H LEU A 60 -0.988 2.898 -4.868 1.00 0.00 H new ATOM 0 HA LEU A 60 0.695 3.308 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.592 1.117 -4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.520 1.010 -3.282 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.498 1.209 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.431 -1.071 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.575 -0.978 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.348 -1.028 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.518 0.890 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.259 0.993 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.708 2.406 -1.528 1.00 0.00 H new ATOM 972 N LYS A 61 2.231 3.193 -5.585 1.00 0.00 N ATOM 973 CA LYS A 61 3.496 3.449 -6.270 1.00 0.00 C ATOM 974 C LYS A 61 3.727 4.942 -6.525 1.00 0.00 C ATOM 975 O LYS A 61 4.759 5.489 -6.137 1.00 0.00 O ATOM 976 CB LYS A 61 3.530 2.685 -7.600 1.00 0.00 C ATOM 977 CG LYS A 61 4.803 2.910 -8.406 1.00 0.00 C ATOM 978 CD LYS A 61 4.730 2.247 -9.775 1.00 0.00 C ATOM 979 CE LYS A 61 5.948 2.589 -10.622 1.00 0.00 C ATOM 980 NZ LYS A 61 5.848 2.049 -12.002 1.00 0.00 N ATOM 0 H LYS A 61 1.487 2.854 -6.194 1.00 0.00 H new ATOM 0 HA LYS A 61 4.297 3.101 -5.618 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.422 1.619 -7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.672 2.984 -8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.971 3.980 -8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.657 2.514 -7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.660 1.166 -9.654 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.825 2.569 -10.290 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.064 3.672 -10.666 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.843 2.192 -10.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.535 2.533 -12.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.052 1.029 -11.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.887 2.206 -12.367 1.00 0.00 H new ATOM 994 N SER A 62 2.771 5.595 -7.177 1.00 0.00 N ATOM 995 CA SER A 62 2.971 6.965 -7.640 1.00 0.00 C ATOM 996 C SER A 62 2.185 7.973 -6.805 1.00 0.00 C ATOM 997 O SER A 62 2.209 9.172 -7.079 1.00 0.00 O ATOM 998 CB SER A 62 2.568 7.074 -9.113 1.00 0.00 C ATOM 999 OG SER A 62 3.310 6.163 -9.909 1.00 0.00 O ATOM 0 H SER A 62 1.856 5.202 -7.396 1.00 0.00 H new ATOM 0 HA SER A 62 4.028 7.204 -7.527 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.502 6.871 -9.219 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.735 8.092 -9.466 1.00 0.00 H new ATOM 0 HG SER A 62 3.035 6.248 -10.846 1.00 0.00 H new ATOM 1005 N GLY A 63 1.500 7.497 -5.779 1.00 0.00 N ATOM 1006 CA GLY A 63 0.708 8.383 -4.960 1.00 0.00 C ATOM 1007 C GLY A 63 1.421 8.774 -3.683 1.00 0.00 C ATOM 1008 O GLY A 63 2.653 8.849 -3.641 1.00 0.00 O ATOM 0 H GLY A 63 1.479 6.516 -5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.466 9.281 -5.528 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.237 7.899 -4.713 1.00 0.00 H new ATOM 1012 N LYS A 64 0.652 8.996 -2.631 1.00 0.00 N ATOM 1013 CA LYS A 64 1.201 9.429 -1.356 1.00 0.00 C ATOM 1014 C LYS A 64 0.444 8.799 -0.191 1.00 0.00 C ATOM 1015 O LYS A 64 -0.414 9.425 0.427 1.00 0.00 O ATOM 1016 CB LYS A 64 1.207 10.969 -1.242 1.00 0.00 C ATOM 1017 CG LYS A 64 0.108 11.693 -2.032 1.00 0.00 C ATOM 1018 CD LYS A 64 -1.293 11.366 -1.529 1.00 0.00 C ATOM 1019 CE LYS A 64 -2.351 12.231 -2.200 1.00 0.00 C ATOM 1020 NZ LYS A 64 -2.247 13.660 -1.796 1.00 0.00 N ATOM 0 H LYS A 64 -0.362 8.883 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 64 2.235 9.088 -1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.112 11.239 -0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.176 11.337 -1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.270 12.769 -1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.184 11.421 -3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.510 10.315 -1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.335 11.512 -0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.249 12.153 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.341 11.854 -1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.097 14.172 -2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.166 13.723 -0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.406 14.085 -2.236 1.00 0.00 H new ATOM 1034 N VAL A 65 0.743 7.543 0.093 1.00 0.00 N ATOM 1035 CA VAL A 65 0.098 6.852 1.193 1.00 0.00 C ATOM 1036 C VAL A 65 1.052 6.706 2.369 1.00 0.00 C ATOM 1037 O VAL A 65 2.169 6.204 2.222 1.00 0.00 O ATOM 1038 CB VAL A 65 -0.441 5.464 0.770 1.00 0.00 C ATOM 1039 CG1 VAL A 65 -1.608 5.621 -0.194 1.00 0.00 C ATOM 1040 CG2 VAL A 65 0.651 4.615 0.134 1.00 0.00 C ATOM 0 H VAL A 65 1.425 6.984 -0.420 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.754 7.460 1.498 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.786 4.953 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.976 4.637 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.408 6.180 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.276 6.159 -1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.239 3.647 -0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.036 5.121 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.461 4.468 0.849 1.00 0.00 H new ATOM 1050 N LYS A 66 0.624 7.179 3.528 1.00 0.00 N ATOM 1051 CA LYS A 66 1.414 7.042 4.739 1.00 0.00 C ATOM 1052 C LYS A 66 1.292 5.619 5.268 1.00 0.00 C ATOM 1053 O LYS A 66 0.476 5.335 6.137 1.00 0.00 O ATOM 1054 CB LYS A 66 0.970 8.051 5.802 1.00 0.00 C ATOM 1055 CG LYS A 66 1.156 9.498 5.378 1.00 0.00 C ATOM 1056 CD LYS A 66 0.698 10.466 6.460 1.00 0.00 C ATOM 1057 CE LYS A 66 0.882 11.916 6.035 1.00 0.00 C ATOM 1058 NZ LYS A 66 0.044 12.261 4.855 1.00 0.00 N ATOM 0 H LYS A 66 -0.266 7.661 3.655 1.00 0.00 H new ATOM 0 HA LYS A 66 2.458 7.249 4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.081 7.881 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.533 7.874 6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.207 9.678 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.595 9.684 4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.352 10.285 6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.261 10.281 7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.626 12.573 6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.931 12.095 5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.040 13.292 4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.435 11.804 4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.929 11.928 5.011 1.00 0.00 H new ATOM 1072 N LYS A 67 2.080 4.726 4.699 1.00 0.00 N ATOM 1073 CA LYS A 67 2.022 3.317 5.049 1.00 0.00 C ATOM 1074 C LYS A 67 2.545 3.058 6.459 1.00 0.00 C ATOM 1075 O LYS A 67 3.649 3.475 6.814 1.00 0.00 O ATOM 1076 CB LYS A 67 2.837 2.502 4.042 1.00 0.00 C ATOM 1077 CG LYS A 67 2.089 2.107 2.781 1.00 0.00 C ATOM 1078 CD LYS A 67 3.000 1.309 1.855 1.00 0.00 C ATOM 1079 CE LYS A 67 2.295 0.869 0.579 1.00 0.00 C ATOM 1080 NZ LYS A 67 3.227 0.163 -0.342 1.00 0.00 N ATOM 0 H LYS A 67 2.774 4.953 3.986 1.00 0.00 H new ATOM 0 HA LYS A 67 0.976 3.011 5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.718 3.079 3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.193 1.597 4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.212 1.513 3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.729 2.999 2.269 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.869 1.914 1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.370 0.430 2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.462 0.212 0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.874 1.739 0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.749 -0.018 -1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.067 0.754 -0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.517 -0.741 0.083 1.00 0.00 H new ATOM 1094 N TYR A 68 1.749 2.362 7.257 1.00 0.00 N ATOM 1095 CA TYR A 68 2.190 1.911 8.567 1.00 0.00 C ATOM 1096 C TYR A 68 2.732 0.487 8.442 1.00 0.00 C ATOM 1097 O TYR A 68 2.309 -0.418 9.151 1.00 0.00 O ATOM 1098 CB TYR A 68 1.036 1.970 9.589 1.00 0.00 C ATOM 1099 CG TYR A 68 1.465 1.653 11.013 1.00 0.00 C ATOM 1100 CD1 TYR A 68 2.299 2.512 11.718 1.00 0.00 C ATOM 1101 CD2 TYR A 68 1.051 0.482 11.642 1.00 0.00 C ATOM 1102 CE1 TYR A 68 2.707 2.218 13.006 1.00 0.00 C ATOM 1103 CE2 TYR A 68 1.460 0.178 12.928 1.00 0.00 C ATOM 1104 CZ TYR A 68 2.287 1.048 13.606 1.00 0.00 C ATOM 1105 OH TYR A 68 2.704 0.740 14.883 1.00 0.00 O ATOM 0 H TYR A 68 0.793 2.097 7.019 1.00 0.00 H new ATOM 0 HA TYR A 68 2.978 2.571 8.929 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.592 2.965 9.566 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.259 1.267 9.288 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.635 3.426 11.251 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.399 -0.201 11.117 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.351 2.901 13.540 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.133 -0.737 13.399 1.00 0.00 H new ATOM 0 HH TYR A 68 2.316 -0.118 15.156 1.00 0.00 H new ATOM 1115 N VAL A 69 3.666 0.306 7.514 1.00 0.00 N ATOM 1116 CA VAL A 69 4.246 -1.003 7.229 1.00 0.00 C ATOM 1117 C VAL A 69 3.181 -1.979 6.734 1.00 0.00 C ATOM 1118 O VAL A 69 2.504 -2.650 7.519 1.00 0.00 O ATOM 1119 CB VAL A 69 4.974 -1.605 8.453 1.00 0.00 C ATOM 1120 CG1 VAL A 69 5.617 -2.939 8.098 1.00 0.00 C ATOM 1121 CG2 VAL A 69 6.017 -0.634 8.980 1.00 0.00 C ATOM 0 H VAL A 69 4.042 1.060 6.939 1.00 0.00 H new ATOM 0 HA VAL A 69 4.985 -0.847 6.444 1.00 0.00 H new ATOM 0 HB VAL A 69 4.237 -1.781 9.236 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.123 -3.344 8.974 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.848 -3.637 7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.341 -2.792 7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.520 -1.073 9.841 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.749 -0.427 8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.531 0.295 9.278 1.00 0.00 H new ATOM 1131 N GLY A 70 3.014 -2.023 5.427 1.00 0.00 N ATOM 1132 CA GLY A 70 2.103 -2.974 4.830 1.00 0.00 C ATOM 1133 C GLY A 70 2.863 -4.040 4.074 1.00 0.00 C ATOM 1134 O GLY A 70 3.959 -3.782 3.583 1.00 0.00 O ATOM 0 H GLY A 70 3.494 -1.415 4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.493 -3.437 5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.422 -2.457 4.154 1.00 0.00 H new ATOM 1138 N GLN A 71 2.290 -5.230 3.964 1.00 0.00 N ATOM 1139 CA GLN A 71 2.979 -6.335 3.305 1.00 0.00 C ATOM 1140 C GLN A 71 2.746 -6.300 1.798 1.00 0.00 C ATOM 1141 O GLN A 71 3.106 -7.231 1.073 1.00 0.00 O ATOM 1142 CB GLN A 71 2.552 -7.679 3.903 1.00 0.00 C ATOM 1143 CG GLN A 71 1.058 -7.962 3.829 1.00 0.00 C ATOM 1144 CD GLN A 71 0.692 -9.239 4.555 1.00 0.00 C ATOM 1145 OE1 GLN A 71 0.369 -9.223 5.742 1.00 0.00 O ATOM 1146 NE2 GLN A 71 0.762 -10.361 3.853 1.00 0.00 N ATOM 0 H GLN A 71 1.360 -5.456 4.317 1.00 0.00 H new ATOM 0 HA GLN A 71 4.049 -6.220 3.478 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.085 -8.477 3.386 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.863 -7.712 4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.508 -7.127 4.262 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.753 -8.037 2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.034 -10.332 2.870 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.544 -11.254 4.295 1.00 0.00 H new ATOM 1155 N VAL A 72 2.141 -5.216 1.332 1.00 0.00 N ATOM 1156 CA VAL A 72 1.992 -4.977 -0.091 1.00 0.00 C ATOM 1157 C VAL A 72 3.135 -4.094 -0.580 1.00 0.00 C ATOM 1158 O VAL A 72 3.157 -2.884 -0.326 1.00 0.00 O ATOM 1159 CB VAL A 72 0.642 -4.308 -0.423 1.00 0.00 C ATOM 1160 CG1 VAL A 72 0.495 -4.107 -1.924 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -0.517 -5.128 0.122 1.00 0.00 C ATOM 0 H VAL A 72 1.745 -4.487 1.925 1.00 0.00 H new ATOM 0 HA VAL A 72 2.018 -5.942 -0.597 1.00 0.00 H new ATOM 0 HB VAL A 72 0.623 -3.330 0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.464 -3.634 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.302 -3.470 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.542 -5.073 -2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.458 -4.636 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.500 -6.123 -0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.425 -5.213 1.205 1.00 0.00 H new ATOM 1171 N SER A 73 4.097 -4.714 -1.244 1.00 0.00 N ATOM 1172 CA SER A 73 5.273 -4.011 -1.722 1.00 0.00 C ATOM 1173 C SER A 73 5.205 -3.782 -3.228 1.00 0.00 C ATOM 1174 O SER A 73 4.885 -4.701 -3.988 1.00 0.00 O ATOM 1175 CB SER A 73 6.520 -4.821 -1.371 1.00 0.00 C ATOM 1176 OG SER A 73 6.420 -6.149 -1.872 1.00 0.00 O ATOM 0 H SER A 73 4.084 -5.710 -1.465 1.00 0.00 H new ATOM 0 HA SER A 73 5.317 -3.035 -1.238 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.403 -4.336 -1.788 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.650 -4.845 -0.289 1.00 0.00 H new ATOM 0 HG SER A 73 7.230 -6.649 -1.637 1.00 0.00 H new ATOM 1182 N GLU A 74 5.507 -2.561 -3.651 1.00 0.00 N ATOM 1183 CA GLU A 74 5.554 -2.237 -5.070 1.00 0.00 C ATOM 1184 C GLU A 74 6.846 -2.759 -5.691 1.00 0.00 C ATOM 1185 O GLU A 74 7.687 -3.353 -5.008 1.00 0.00 O ATOM 1186 CB GLU A 74 5.455 -0.722 -5.300 1.00 0.00 C ATOM 1187 CG GLU A 74 4.129 -0.103 -4.881 1.00 0.00 C ATOM 1188 CD GLU A 74 3.976 0.016 -3.381 1.00 0.00 C ATOM 1189 OE1 GLU A 74 4.654 0.873 -2.777 1.00 0.00 O ATOM 1190 OE2 GLU A 74 3.170 -0.736 -2.795 1.00 0.00 O ATOM 0 H GLU A 74 5.723 -1.780 -3.032 1.00 0.00 H new ATOM 0 HA GLU A 74 4.699 -2.718 -5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.259 -0.231 -4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.619 -0.517 -6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.040 0.887 -5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.312 -0.707 -5.277 1.00 0.00 H new ATOM 1197 N VAL A 75 7.003 -2.531 -6.982 1.00 0.00 N ATOM 1198 CA VAL A 75 8.191 -2.962 -7.696 1.00 0.00 C ATOM 1199 C VAL A 75 8.674 -1.852 -8.625 1.00 0.00 C ATOM 1200 O VAL A 75 7.867 -1.088 -9.162 1.00 0.00 O ATOM 1201 CB VAL A 75 7.926 -4.259 -8.503 1.00 0.00 C ATOM 1202 CG1 VAL A 75 6.856 -4.037 -9.560 1.00 0.00 C ATOM 1203 CG2 VAL A 75 9.206 -4.785 -9.137 1.00 0.00 C ATOM 0 H VAL A 75 6.317 -2.046 -7.561 1.00 0.00 H new ATOM 0 HA VAL A 75 8.967 -3.178 -6.961 1.00 0.00 H new ATOM 0 HB VAL A 75 7.562 -5.012 -7.804 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.691 -4.963 -10.111 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.927 -3.730 -9.079 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.182 -3.258 -10.250 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.988 -5.695 -9.696 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.613 -4.033 -9.813 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.935 -5.004 -8.357 1.00 0.00 H new ATOM 1213 N GLY A 76 9.988 -1.742 -8.774 1.00 0.00 N ATOM 1214 CA GLY A 76 10.564 -0.746 -9.658 1.00 0.00 C ATOM 1215 C GLY A 76 10.402 -1.107 -11.120 1.00 0.00 C ATOM 1216 O GLY A 76 11.355 -1.531 -11.778 1.00 0.00 O ATOM 0 H GLY A 76 10.670 -2.330 -8.294 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.092 0.218 -9.470 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.624 -0.632 -9.430 1.00 0.00 H new ATOM 1220 N SER A 77 9.191 -0.953 -11.618 1.00 0.00 N ATOM 1221 CA SER A 77 8.878 -1.211 -13.012 1.00 0.00 C ATOM 1222 C SER A 77 7.744 -0.295 -13.456 1.00 0.00 C ATOM 1223 O SER A 77 7.965 0.526 -14.371 1.00 0.00 O ATOM 1224 CB SER A 77 8.500 -2.683 -13.213 1.00 0.00 C ATOM 1225 OG SER A 77 9.583 -3.531 -12.856 1.00 0.00 O ATOM 1226 OXT SER A 77 6.656 -0.357 -12.843 1.00 0.00 O ATOM 0 H SER A 77 8.392 -0.644 -11.065 1.00 0.00 H new ATOM 0 HA SER A 77 9.758 -1.005 -13.622 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.626 -2.926 -12.608 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.225 -2.854 -14.254 1.00 0.00 H new ATOM 0 HG SER A 77 9.323 -4.467 -12.989 1.00 0.00 H new TER 1232 SER A 77