USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=14 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 Single : A 1 ARG N :NH3+ 162:sc= 0.00739 (180deg=0) USER MOD Single : A 2 SER OG : rot -55:sc= 0.224 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl -159:sc= -6.05! (180deg=-8.39!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 19 SER OG : rot 56:sc= 0.846 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -0.245 K(o=-0.24,f=-1.4) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0755 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 52 TYR OH : rot 105:sc= -1.86! USER MOD Single : A 54 ASN : amide:sc= -0.656 X(o=-0.66,f=-0.73) USER MOD Single : A 55 SER OG : rot 73:sc= 0.811 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -6.8! C(o=-10!,f=-6.8!) USER MOD Single : A 68 THR OG1 : rot -120:sc= -0.925 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc=-0.00146 X(o=-0.0015,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.473 -13.654 0.086 1.00 0.00 N ATOM 2 CA ARG A 1 4.822 -13.168 0.321 1.00 0.00 C ATOM 3 C ARG A 1 5.511 -12.847 -1.006 1.00 0.00 C ATOM 4 O ARG A 1 5.272 -13.516 -2.011 1.00 0.00 O ATOM 5 CB ARG A 1 5.654 -14.203 1.083 1.00 0.00 C ATOM 6 CG ARG A 1 6.053 -13.678 2.464 1.00 0.00 C ATOM 7 CD ARG A 1 7.286 -12.777 2.373 1.00 0.00 C ATOM 8 NE ARG A 1 7.724 -12.380 3.729 1.00 0.00 N ATOM 9 CZ ARG A 1 8.756 -11.561 3.976 1.00 0.00 C ATOM 10 NH1 ARG A 1 9.462 -11.049 2.959 1.00 0.00 N ATOM 11 NH2 ARG A 1 9.083 -11.257 5.239 1.00 0.00 N ATOM 0 H1 ARG A 1 3.129 -14.147 0.935 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.847 -12.851 -0.126 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.476 -14.312 -0.719 1.00 0.00 H new ATOM 0 HA ARG A 1 4.748 -12.262 0.923 1.00 0.00 H new ATOM 0 HB2 ARG A 1 5.083 -15.125 1.192 1.00 0.00 H new ATOM 0 HB3 ARG A 1 6.549 -14.448 0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 1 5.223 -13.121 2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 1 6.259 -14.516 3.130 1.00 0.00 H new ATOM 0 HD2 ARG A 1 8.093 -13.301 1.860 1.00 0.00 H new ATOM 0 HD3 ARG A 1 7.056 -11.890 1.782 1.00 0.00 H new ATOM 0 HE ARG A 1 7.208 -12.753 4.526 1.00 0.00 H new ATOM 0 HH11 ARG A 1 9.214 -11.282 1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 1 10.247 -10.426 3.146 1.00 0.00 H new ATOM 0 HH21 ARG A 1 8.547 -11.649 6.013 1.00 0.00 H new ATOM 0 HH22 ARG A 1 9.868 -10.634 5.427 1.00 0.00 H new ATOM 25 N SER A 2 6.350 -11.823 -0.968 1.00 0.00 N ATOM 26 CA SER A 2 7.075 -11.405 -2.155 1.00 0.00 C ATOM 27 C SER A 2 6.168 -11.506 -3.384 1.00 0.00 C ATOM 28 O SER A 2 6.561 -12.067 -4.405 1.00 0.00 O ATOM 29 CB SER A 2 8.337 -12.247 -2.356 1.00 0.00 C ATOM 30 OG SER A 2 9.166 -11.728 -3.393 1.00 0.00 O ATOM 0 H SER A 2 6.544 -11.270 -0.133 1.00 0.00 H new ATOM 0 HA SER A 2 7.381 -10.368 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.901 -12.282 -1.424 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.054 -13.272 -2.597 1.00 0.00 H new ATOM 0 HG SER A 2 8.644 -11.644 -4.218 1.00 0.00 H new ATOM 36 N ALA A 3 4.974 -10.951 -3.244 1.00 0.00 N ATOM 37 CA ALA A 3 4.007 -10.971 -4.331 1.00 0.00 C ATOM 38 C ALA A 3 2.955 -9.888 -4.091 1.00 0.00 C ATOM 39 O ALA A 3 2.178 -9.971 -3.141 1.00 0.00 O ATOM 40 CB ALA A 3 3.393 -12.367 -4.441 1.00 0.00 C ATOM 0 H ALA A 3 4.653 -10.485 -2.396 1.00 0.00 H new ATOM 0 HA ALA A 3 4.493 -10.753 -5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.668 -12.383 -5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.179 -13.095 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.893 -12.619 -3.506 1.00 0.00 H new ATOM 46 N LEU A 4 2.963 -8.895 -4.969 1.00 0.00 N ATOM 47 CA LEU A 4 2.017 -7.797 -4.865 1.00 0.00 C ATOM 48 C LEU A 4 2.376 -6.934 -3.653 1.00 0.00 C ATOM 49 O LEU A 4 2.629 -5.738 -3.790 1.00 0.00 O ATOM 50 CB LEU A 4 0.582 -8.325 -4.840 1.00 0.00 C ATOM 51 CG LEU A 4 0.067 -8.929 -6.149 1.00 0.00 C ATOM 52 CD1 LEU A 4 0.280 -7.964 -7.318 1.00 0.00 C ATOM 53 CD2 LEU A 4 0.701 -10.295 -6.409 1.00 0.00 C ATOM 0 H LEU A 4 3.609 -8.828 -5.755 1.00 0.00 H new ATOM 0 HA LEU A 4 2.080 -7.156 -5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.508 -9.082 -4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.080 -7.507 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.007 -9.087 -6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.094 -8.417 -8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.258 -7.035 -7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.344 -7.752 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.318 -10.702 -7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.784 -10.187 -6.477 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.454 -10.972 -5.591 1.00 0.00 H new ATOM 65 N SER A 5 2.386 -7.575 -2.493 1.00 0.00 N ATOM 66 CA SER A 5 2.710 -6.881 -1.258 1.00 0.00 C ATOM 67 C SER A 5 3.645 -5.707 -1.547 1.00 0.00 C ATOM 68 O SER A 5 3.421 -4.596 -1.068 1.00 0.00 O ATOM 69 CB SER A 5 3.349 -7.832 -0.244 1.00 0.00 C ATOM 70 OG SER A 5 2.450 -8.860 0.163 1.00 0.00 O ATOM 0 H SER A 5 2.175 -8.567 -2.383 1.00 0.00 H new ATOM 0 HA SER A 5 1.784 -6.501 -0.826 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.241 -8.282 -0.681 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.673 -7.266 0.630 1.00 0.00 H new ATOM 0 HG SER A 5 2.895 -9.447 0.809 1.00 0.00 H new ATOM 76 N CYS A 6 4.676 -5.991 -2.330 1.00 0.00 N ATOM 77 CA CYS A 6 5.647 -4.972 -2.689 1.00 0.00 C ATOM 78 C CYS A 6 4.909 -3.830 -3.390 1.00 0.00 C ATOM 79 O CYS A 6 4.733 -2.755 -2.818 1.00 0.00 O ATOM 80 CB CYS A 6 6.772 -5.541 -3.555 1.00 0.00 C ATOM 81 SG CYS A 6 7.953 -4.299 -4.194 1.00 0.00 S ATOM 0 H CYS A 6 4.860 -6.913 -2.726 1.00 0.00 H new ATOM 0 HA CYS A 6 6.129 -4.593 -1.788 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.323 -6.279 -2.971 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.329 -6.069 -4.400 1.00 0.00 H new ATOM 86 N GLN A 7 4.496 -4.102 -4.620 1.00 0.00 N ATOM 87 CA GLN A 7 3.781 -3.111 -5.405 1.00 0.00 C ATOM 88 C GLN A 7 2.779 -2.359 -4.525 1.00 0.00 C ATOM 89 O GLN A 7 2.728 -1.130 -4.549 1.00 0.00 O ATOM 90 CB GLN A 7 3.081 -3.760 -6.601 1.00 0.00 C ATOM 91 CG GLN A 7 3.730 -3.326 -7.917 1.00 0.00 C ATOM 92 CD GLN A 7 3.313 -4.248 -9.064 1.00 0.00 C ATOM 93 OE1 GLN A 7 2.153 -4.333 -9.435 1.00 0.00 O ATOM 94 NE2 GLN A 7 4.319 -4.930 -9.603 1.00 0.00 N ATOM 0 H GLN A 7 4.643 -4.994 -5.091 1.00 0.00 H new ATOM 0 HA GLN A 7 4.504 -2.394 -5.794 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.127 -4.845 -6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.026 -3.485 -6.603 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.443 -2.300 -8.147 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.815 -3.337 -7.813 1.00 0.00 H new ATOM 0 HE21 GLN A 7 5.266 -4.811 -9.244 1.00 0.00 H new ATOM 0 HE22 GLN A 7 4.144 -5.572 -10.376 1.00 0.00 H new ATOM 103 N MET A 8 2.007 -3.129 -3.772 1.00 0.00 N ATOM 104 CA MET A 8 1.010 -2.551 -2.887 1.00 0.00 C ATOM 105 C MET A 8 1.594 -1.382 -2.092 1.00 0.00 C ATOM 106 O MET A 8 0.908 -0.392 -1.843 1.00 0.00 O ATOM 107 CB MET A 8 0.502 -3.623 -1.922 1.00 0.00 C ATOM 108 CG MET A 8 -0.152 -4.779 -2.680 1.00 0.00 C ATOM 109 SD MET A 8 -1.321 -5.619 -1.624 1.00 0.00 S ATOM 110 CE MET A 8 -2.407 -6.318 -2.857 1.00 0.00 C ATOM 0 H MET A 8 2.052 -4.148 -3.757 1.00 0.00 H new ATOM 0 HA MET A 8 0.186 -2.176 -3.494 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.331 -4.000 -1.322 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.217 -3.184 -1.231 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.658 -4.402 -3.569 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.611 -5.479 -3.021 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.371 -6.549 -2.404 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.548 -5.601 -3.666 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.965 -7.232 -3.255 1.00 0.00 H new ATOM 120 N CYS A 9 2.855 -1.535 -1.715 1.00 0.00 N ATOM 121 CA CYS A 9 3.539 -0.505 -0.953 1.00 0.00 C ATOM 122 C CYS A 9 3.672 0.738 -1.836 1.00 0.00 C ATOM 123 O CYS A 9 3.535 1.862 -1.357 1.00 0.00 O ATOM 124 CB CYS A 9 4.897 -0.989 -0.440 1.00 0.00 C ATOM 125 SG CYS A 9 6.317 -0.570 -1.516 1.00 0.00 S ATOM 0 H CYS A 9 3.421 -2.358 -1.923 1.00 0.00 H new ATOM 0 HA CYS A 9 2.956 -0.258 -0.066 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.070 -0.562 0.548 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.859 -2.071 -0.318 1.00 0.00 H new ATOM 130 N GLU A 10 3.937 0.492 -3.112 1.00 0.00 N ATOM 131 CA GLU A 10 4.089 1.577 -4.066 1.00 0.00 C ATOM 132 C GLU A 10 2.728 2.197 -4.387 1.00 0.00 C ATOM 133 O GLU A 10 2.649 3.190 -5.107 1.00 0.00 O ATOM 134 CB GLU A 10 4.786 1.093 -5.339 1.00 0.00 C ATOM 135 CG GLU A 10 6.294 0.957 -5.122 1.00 0.00 C ATOM 136 CD GLU A 10 6.993 0.492 -6.400 1.00 0.00 C ATOM 137 OE1 GLU A 10 7.171 1.348 -7.294 1.00 0.00 O ATOM 138 OE2 GLU A 10 7.332 -0.710 -6.456 1.00 0.00 O ATOM 0 H GLU A 10 4.050 -0.442 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 10 4.718 2.345 -3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.371 0.132 -5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.594 1.794 -6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.707 1.915 -4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.487 0.246 -4.319 1.00 0.00 H new ATOM 146 N LEU A 11 1.690 1.585 -3.836 1.00 0.00 N ATOM 147 CA LEU A 11 0.336 2.064 -4.056 1.00 0.00 C ATOM 148 C LEU A 11 -0.054 3.013 -2.922 1.00 0.00 C ATOM 149 O LEU A 11 -0.540 4.116 -3.170 1.00 0.00 O ATOM 150 CB LEU A 11 -0.628 0.888 -4.231 1.00 0.00 C ATOM 151 CG LEU A 11 -2.114 1.242 -4.302 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.427 2.045 -5.566 1.00 0.00 C ATOM 153 CD2 LEU A 11 -2.983 -0.012 -4.190 1.00 0.00 C ATOM 0 H LEU A 11 1.759 0.762 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 11 0.280 2.633 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.358 0.356 -5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.479 0.196 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.354 1.877 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.490 2.284 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.848 2.968 -5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.166 1.456 -6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.035 0.268 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.747 -0.693 -5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.787 -0.507 -3.239 1.00 0.00 H new ATOM 165 N VAL A 12 0.173 2.552 -1.701 1.00 0.00 N ATOM 166 CA VAL A 12 -0.149 3.346 -0.527 1.00 0.00 C ATOM 167 C VAL A 12 0.744 4.588 -0.498 1.00 0.00 C ATOM 168 O VAL A 12 0.287 5.678 -0.156 1.00 0.00 O ATOM 169 CB VAL A 12 -0.025 2.490 0.734 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.820 1.191 0.596 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.443 2.202 1.058 1.00 0.00 C ATOM 0 H VAL A 12 0.577 1.637 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.183 3.689 -0.569 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.448 3.055 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.714 0.601 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.872 1.424 0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.440 0.620 -0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.504 1.592 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.901 1.667 0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.971 3.142 1.220 1.00 0.00 H new ATOM 181 N VAL A 13 2.002 4.383 -0.861 1.00 0.00 N ATOM 182 CA VAL A 13 2.963 5.472 -0.880 1.00 0.00 C ATOM 183 C VAL A 13 2.534 6.505 -1.923 1.00 0.00 C ATOM 184 O VAL A 13 2.310 7.670 -1.592 1.00 0.00 O ATOM 185 CB VAL A 13 4.370 4.923 -1.125 1.00 0.00 C ATOM 186 CG1 VAL A 13 4.698 3.795 -0.145 1.00 0.00 C ATOM 187 CG2 VAL A 13 4.532 4.457 -2.573 1.00 0.00 C ATOM 0 H VAL A 13 2.378 3.478 -1.144 1.00 0.00 H new ATOM 0 HA VAL A 13 2.989 5.977 0.086 1.00 0.00 H new ATOM 0 HB VAL A 13 5.080 5.732 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.704 3.423 -0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.644 4.173 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.980 2.984 -0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.541 4.071 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.808 3.670 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.363 5.297 -3.247 1.00 0.00 H new ATOM 197 N LYS A 14 2.434 6.045 -3.161 1.00 0.00 N ATOM 198 CA LYS A 14 2.036 6.915 -4.254 1.00 0.00 C ATOM 199 C LYS A 14 0.818 7.737 -3.828 1.00 0.00 C ATOM 200 O LYS A 14 0.671 8.890 -4.230 1.00 0.00 O ATOM 201 CB LYS A 14 1.813 6.104 -5.532 1.00 0.00 C ATOM 202 CG LYS A 14 2.998 6.253 -6.489 1.00 0.00 C ATOM 203 CD LYS A 14 3.096 5.051 -7.431 1.00 0.00 C ATOM 204 CE LYS A 14 1.743 4.750 -8.078 1.00 0.00 C ATOM 205 NZ LYS A 14 1.559 5.567 -9.299 1.00 0.00 N ATOM 0 H LYS A 14 2.622 5.080 -3.432 1.00 0.00 H new ATOM 0 HA LYS A 14 2.833 7.621 -4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.674 5.053 -5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.899 6.437 -6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.887 7.168 -7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.922 6.348 -5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.837 5.251 -8.205 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.441 4.178 -6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.681 3.691 -8.329 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.941 4.957 -7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.636 5.350 -9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.597 6.576 -9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.315 5.349 -9.980 1.00 0.00 H new ATOM 219 N LYS A 15 -0.026 7.111 -3.020 1.00 0.00 N ATOM 220 CA LYS A 15 -1.226 7.770 -2.535 1.00 0.00 C ATOM 221 C LYS A 15 -0.851 8.746 -1.419 1.00 0.00 C ATOM 222 O LYS A 15 -1.425 9.830 -1.319 1.00 0.00 O ATOM 223 CB LYS A 15 -2.275 6.736 -2.121 1.00 0.00 C ATOM 224 CG LYS A 15 -3.033 6.205 -3.340 1.00 0.00 C ATOM 225 CD LYS A 15 -3.874 7.308 -3.986 1.00 0.00 C ATOM 226 CE LYS A 15 -4.815 6.731 -5.044 1.00 0.00 C ATOM 227 NZ LYS A 15 -5.340 7.807 -5.914 1.00 0.00 N ATOM 0 H LYS A 15 0.098 6.154 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.686 8.356 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.791 5.909 -1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.977 7.186 -1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.326 5.809 -4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.678 5.379 -3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.454 7.823 -3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.219 8.050 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.285 5.994 -5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.642 6.211 -4.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.977 7.397 -6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.863 8.496 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.549 8.285 -6.391 1.00 0.00 H new ATOM 241 N TYR A 16 0.109 8.328 -0.607 1.00 0.00 N ATOM 242 CA TYR A 16 0.567 9.152 0.498 1.00 0.00 C ATOM 243 C TYR A 16 1.566 10.207 0.019 1.00 0.00 C ATOM 244 O TYR A 16 1.229 11.386 -0.082 1.00 0.00 O ATOM 245 CB TYR A 16 1.272 8.202 1.469 1.00 0.00 C ATOM 246 CG TYR A 16 1.925 8.903 2.662 1.00 0.00 C ATOM 247 CD1 TYR A 16 1.674 10.240 2.898 1.00 0.00 C ATOM 248 CD2 TYR A 16 2.764 8.200 3.501 1.00 0.00 C ATOM 249 CE1 TYR A 16 2.288 10.899 4.021 1.00 0.00 C ATOM 250 CE2 TYR A 16 3.378 8.859 4.625 1.00 0.00 C ATOM 251 CZ TYR A 16 3.110 10.177 4.829 1.00 0.00 C ATOM 252 OH TYR A 16 3.689 10.800 5.890 1.00 0.00 O ATOM 0 H TYR A 16 0.582 7.429 -0.693 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.271 9.675 0.959 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.549 7.475 1.839 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.035 7.645 0.926 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.018 10.791 2.241 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.961 7.154 3.315 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.100 11.944 4.218 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.036 8.319 5.290 1.00 0.00 H new ATOM 0 HH TYR A 16 3.103 11.518 6.207 1.00 0.00 H new ATOM 262 N GLU A 17 2.775 9.746 -0.264 1.00 0.00 N ATOM 263 CA GLU A 17 3.826 10.634 -0.732 1.00 0.00 C ATOM 264 C GLU A 17 3.283 11.577 -1.807 1.00 0.00 C ATOM 265 O GLU A 17 3.801 12.678 -1.991 1.00 0.00 O ATOM 266 CB GLU A 17 5.025 9.840 -1.253 1.00 0.00 C ATOM 267 CG GLU A 17 4.743 9.275 -2.647 1.00 0.00 C ATOM 268 CD GLU A 17 4.879 10.360 -3.716 1.00 0.00 C ATOM 269 OE1 GLU A 17 5.669 11.298 -3.476 1.00 0.00 O ATOM 270 OE2 GLU A 17 4.189 10.227 -4.750 1.00 0.00 O ATOM 0 H GLU A 17 3.051 8.768 -0.178 1.00 0.00 H new ATOM 0 HA GLU A 17 4.170 11.234 0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.904 10.483 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.253 9.025 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.436 8.461 -2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.738 8.855 -2.676 1.00 0.00 H new ATOM 278 N GLY A 18 2.248 11.112 -2.491 1.00 0.00 N ATOM 279 CA GLY A 18 1.630 11.901 -3.543 1.00 0.00 C ATOM 280 C GLY A 18 0.135 12.093 -3.278 1.00 0.00 C ATOM 281 O GLY A 18 -0.682 11.959 -4.187 1.00 0.00 O ATOM 0 H GLY A 18 1.822 10.198 -2.337 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.119 12.873 -3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.772 11.407 -4.504 1.00 0.00 H new ATOM 285 N SER A 19 -0.177 12.405 -2.029 1.00 0.00 N ATOM 286 CA SER A 19 -1.559 12.617 -1.632 1.00 0.00 C ATOM 287 C SER A 19 -1.902 14.106 -1.709 1.00 0.00 C ATOM 288 O SER A 19 -2.916 14.484 -2.295 1.00 0.00 O ATOM 289 CB SER A 19 -1.815 12.085 -0.221 1.00 0.00 C ATOM 290 OG SER A 19 -2.985 11.274 -0.161 1.00 0.00 O ATOM 0 H SER A 19 0.504 12.516 -1.278 1.00 0.00 H new ATOM 0 HA SER A 19 -2.201 12.066 -2.320 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.954 11.504 0.109 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.918 12.922 0.469 1.00 0.00 H new ATOM 0 HG SER A 19 -2.910 10.543 -0.809 1.00 0.00 H new ATOM 296 N ALA A 20 -1.039 14.912 -1.109 1.00 0.00 N ATOM 297 CA ALA A 20 -1.238 16.351 -1.102 1.00 0.00 C ATOM 298 C ALA A 20 -2.182 16.725 0.041 1.00 0.00 C ATOM 299 O ALA A 20 -2.399 17.905 0.311 1.00 0.00 O ATOM 300 CB ALA A 20 -1.767 16.800 -2.465 1.00 0.00 C ATOM 0 H ALA A 20 -0.199 14.596 -0.624 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.294 16.868 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.916 17.880 -2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.046 16.537 -3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.716 16.304 -2.669 1.00 0.00 H new ATOM 306 N ASP A 21 -2.718 15.697 0.684 1.00 0.00 N ATOM 307 CA ASP A 21 -3.635 15.904 1.793 1.00 0.00 C ATOM 308 C ASP A 21 -3.008 15.355 3.076 1.00 0.00 C ATOM 309 O ASP A 21 -3.366 15.773 4.175 1.00 0.00 O ATOM 310 CB ASP A 21 -4.956 15.167 1.560 1.00 0.00 C ATOM 311 CG ASP A 21 -6.208 15.934 1.988 1.00 0.00 C ATOM 312 OD1 ASP A 21 -6.286 16.267 3.191 1.00 0.00 O ATOM 313 OD2 ASP A 21 -7.059 16.172 1.104 1.00 0.00 O ATOM 0 H ASP A 21 -2.535 14.719 0.458 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.828 16.974 1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.039 14.928 0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.926 14.220 2.099 1.00 0.00 H new ATOM 319 N LYS A 22 -2.080 14.426 2.893 1.00 0.00 N ATOM 320 CA LYS A 22 -1.400 13.816 4.022 1.00 0.00 C ATOM 321 C LYS A 22 -2.438 13.234 4.984 1.00 0.00 C ATOM 322 O LYS A 22 -2.593 13.720 6.104 1.00 0.00 O ATOM 323 CB LYS A 22 -0.446 14.817 4.678 1.00 0.00 C ATOM 324 CG LYS A 22 0.673 15.219 3.716 1.00 0.00 C ATOM 325 CD LYS A 22 0.240 16.389 2.831 1.00 0.00 C ATOM 326 CE LYS A 22 0.431 17.724 3.555 1.00 0.00 C ATOM 327 NZ LYS A 22 1.741 18.318 3.210 1.00 0.00 N ATOM 0 H LYS A 22 -1.784 14.082 1.980 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.775 12.988 3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.000 15.703 4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.016 14.379 5.579 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.562 15.496 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.945 14.367 3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.820 16.386 1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.807 16.270 2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.370 18.411 3.281 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.366 17.573 4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.854 19.223 3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.502 17.668 3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.789 18.481 2.184 1.00 0.00 H new ATOM 341 N ASP A 23 -3.122 12.202 4.514 1.00 0.00 N ATOM 342 CA ASP A 23 -4.140 11.549 5.317 1.00 0.00 C ATOM 343 C ASP A 23 -4.068 10.037 5.095 1.00 0.00 C ATOM 344 O ASP A 23 -4.564 9.529 4.091 1.00 0.00 O ATOM 345 CB ASP A 23 -5.541 12.019 4.920 1.00 0.00 C ATOM 346 CG ASP A 23 -6.558 12.059 6.062 1.00 0.00 C ATOM 347 OD1 ASP A 23 -6.303 11.371 7.073 1.00 0.00 O ATOM 348 OD2 ASP A 23 -7.569 12.777 5.898 1.00 0.00 O ATOM 0 H ASP A 23 -2.991 11.801 3.585 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.958 11.801 6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.464 13.016 4.487 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.921 11.361 4.138 1.00 0.00 H new ATOM 354 N ALA A 24 -3.446 9.360 6.050 1.00 0.00 N ATOM 355 CA ALA A 24 -3.302 7.916 5.970 1.00 0.00 C ATOM 356 C ALA A 24 -4.681 7.280 5.789 1.00 0.00 C ATOM 357 O ALA A 24 -4.787 6.124 5.381 1.00 0.00 O ATOM 358 CB ALA A 24 -2.584 7.406 7.221 1.00 0.00 C ATOM 0 H ALA A 24 -3.037 9.784 6.882 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.695 7.637 5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.475 6.323 7.162 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.598 7.866 7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.166 7.665 8.106 1.00 0.00 H new ATOM 364 N ASN A 25 -5.705 8.062 6.101 1.00 0.00 N ATOM 365 CA ASN A 25 -7.073 7.589 5.978 1.00 0.00 C ATOM 366 C ASN A 25 -7.493 7.635 4.508 1.00 0.00 C ATOM 367 O ASN A 25 -8.117 6.699 4.008 1.00 0.00 O ATOM 368 CB ASN A 25 -8.036 8.476 6.772 1.00 0.00 C ATOM 369 CG ASN A 25 -8.676 7.696 7.922 1.00 0.00 C ATOM 370 OD1 ASN A 25 -8.399 7.919 9.088 1.00 0.00 O ATOM 371 ND2 ASN A 25 -9.549 6.772 7.529 1.00 0.00 N ATOM 0 H ASN A 25 -5.614 9.020 6.439 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.115 6.572 6.367 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.500 9.339 7.167 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.813 8.859 6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.032 6.199 8.221 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.735 6.636 6.535 1.00 0.00 H new ATOM 378 N VAL A 26 -7.134 8.730 3.856 1.00 0.00 N ATOM 379 CA VAL A 26 -7.466 8.909 2.453 1.00 0.00 C ATOM 380 C VAL A 26 -6.407 8.219 1.590 1.00 0.00 C ATOM 381 O VAL A 26 -6.552 8.134 0.373 1.00 0.00 O ATOM 382 CB VAL A 26 -7.617 10.398 2.136 1.00 0.00 C ATOM 383 CG1 VAL A 26 -8.353 10.606 0.811 1.00 0.00 C ATOM 384 CG2 VAL A 26 -8.324 11.133 3.278 1.00 0.00 C ATOM 0 H VAL A 26 -6.616 9.503 4.273 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.425 8.443 2.226 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.618 10.821 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.446 11.673 0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.792 10.133 0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.346 10.160 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.419 12.190 3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.315 10.705 3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.742 11.028 4.194 1.00 0.00 H new ATOM 394 N ILE A 27 -5.365 7.743 2.257 1.00 0.00 N ATOM 395 CA ILE A 27 -4.282 7.063 1.567 1.00 0.00 C ATOM 396 C ILE A 27 -4.518 5.552 1.621 1.00 0.00 C ATOM 397 O ILE A 27 -4.613 4.898 0.585 1.00 0.00 O ATOM 398 CB ILE A 27 -2.930 7.495 2.137 1.00 0.00 C ATOM 399 CG1 ILE A 27 -2.696 8.992 1.919 1.00 0.00 C ATOM 400 CG2 ILE A 27 -1.794 6.648 1.558 1.00 0.00 C ATOM 401 CD1 ILE A 27 -1.615 9.522 2.864 1.00 0.00 C ATOM 0 H ILE A 27 -5.248 7.815 3.268 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.263 7.346 0.514 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.943 7.324 3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.400 9.171 0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.626 9.537 2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.844 6.976 1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.959 5.600 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.769 6.764 0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.469 10.588 2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.925 9.364 3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.680 8.992 2.681 1.00 0.00 H new ATOM 413 N LYS A 28 -4.606 5.043 2.841 1.00 0.00 N ATOM 414 CA LYS A 28 -4.828 3.622 3.044 1.00 0.00 C ATOM 415 C LYS A 28 -6.060 3.185 2.248 1.00 0.00 C ATOM 416 O LYS A 28 -6.065 2.112 1.645 1.00 0.00 O ATOM 417 CB LYS A 28 -4.916 3.301 4.537 1.00 0.00 C ATOM 418 CG LYS A 28 -6.276 3.711 5.107 1.00 0.00 C ATOM 419 CD LYS A 28 -6.203 3.889 6.625 1.00 0.00 C ATOM 420 CE LYS A 28 -5.781 2.587 7.310 1.00 0.00 C ATOM 421 NZ LYS A 28 -6.598 2.351 8.522 1.00 0.00 N ATOM 0 H LYS A 28 -4.528 5.589 3.699 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.982 3.047 2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.759 2.234 4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.122 3.821 5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.603 4.642 4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.021 2.954 4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.493 4.679 6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.174 4.206 7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.895 1.752 6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.726 2.636 7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.299 1.464 8.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.468 3.140 9.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.601 2.283 8.257 1.00 0.00 H new ATOM 435 N LYS A 29 -7.073 4.037 2.271 1.00 0.00 N ATOM 436 CA LYS A 29 -8.308 3.752 1.558 1.00 0.00 C ATOM 437 C LYS A 29 -8.066 3.887 0.054 1.00 0.00 C ATOM 438 O LYS A 29 -8.423 2.998 -0.718 1.00 0.00 O ATOM 439 CB LYS A 29 -9.444 4.634 2.080 1.00 0.00 C ATOM 440 CG LYS A 29 -10.138 3.982 3.278 1.00 0.00 C ATOM 441 CD LYS A 29 -10.475 5.022 4.350 1.00 0.00 C ATOM 442 CE LYS A 29 -11.219 6.213 3.742 1.00 0.00 C ATOM 443 NZ LYS A 29 -12.660 5.905 3.599 1.00 0.00 N ATOM 0 H LYS A 29 -7.065 4.925 2.772 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.624 2.725 1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.049 5.608 2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.169 4.807 1.285 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.051 3.486 2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.493 3.213 3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.087 4.564 5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.558 5.367 4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.090 7.091 4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.794 6.456 2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.150 6.723 3.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.779 5.080 2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.065 5.695 4.534 1.00 0.00 H new ATOM 457 N ASP A 30 -7.460 5.005 -0.318 1.00 0.00 N ATOM 458 CA ASP A 30 -7.167 5.268 -1.717 1.00 0.00 C ATOM 459 C ASP A 30 -6.503 4.035 -2.334 1.00 0.00 C ATOM 460 O ASP A 30 -6.882 3.601 -3.420 1.00 0.00 O ATOM 461 CB ASP A 30 -6.204 6.448 -1.865 1.00 0.00 C ATOM 462 CG ASP A 30 -6.855 7.762 -2.304 1.00 0.00 C ATOM 463 OD1 ASP A 30 -7.875 7.678 -3.021 1.00 0.00 O ATOM 464 OD2 ASP A 30 -6.317 8.819 -1.910 1.00 0.00 O ATOM 0 H ASP A 30 -7.164 5.739 0.325 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.105 5.503 -2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.702 6.610 -0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.435 6.181 -2.589 1.00 0.00 H new ATOM 470 N PHE A 31 -5.523 3.508 -1.614 1.00 0.00 N ATOM 471 CA PHE A 31 -4.803 2.335 -2.078 1.00 0.00 C ATOM 472 C PHE A 31 -5.771 1.218 -2.477 1.00 0.00 C ATOM 473 O PHE A 31 -5.766 0.767 -3.620 1.00 0.00 O ATOM 474 CB PHE A 31 -3.938 1.851 -0.912 1.00 0.00 C ATOM 475 CG PHE A 31 -3.503 0.388 -1.024 1.00 0.00 C ATOM 476 CD1 PHE A 31 -4.341 -0.603 -0.619 1.00 0.00 C ATOM 477 CD2 PHE A 31 -2.279 0.081 -1.529 1.00 0.00 C ATOM 478 CE1 PHE A 31 -3.936 -1.961 -0.723 1.00 0.00 C ATOM 479 CE2 PHE A 31 -1.874 -1.277 -1.635 1.00 0.00 C ATOM 480 CZ PHE A 31 -2.712 -2.269 -1.229 1.00 0.00 C ATOM 0 H PHE A 31 -5.211 3.872 -0.714 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.204 2.589 -2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.050 2.479 -0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.492 1.984 0.017 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.314 -0.358 -0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.614 0.869 -1.850 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.600 -2.749 -0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.902 -1.521 -2.037 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.405 -3.301 -1.309 1.00 0.00 H new ATOM 490 N ASP A 32 -6.578 0.806 -1.510 1.00 0.00 N ATOM 491 CA ASP A 32 -7.549 -0.249 -1.746 1.00 0.00 C ATOM 492 C ASP A 32 -8.498 0.179 -2.868 1.00 0.00 C ATOM 493 O ASP A 32 -9.098 -0.663 -3.533 1.00 0.00 O ATOM 494 CB ASP A 32 -8.387 -0.515 -0.493 1.00 0.00 C ATOM 495 CG ASP A 32 -9.417 -1.639 -0.632 1.00 0.00 C ATOM 496 OD1 ASP A 32 -9.049 -2.677 -1.225 1.00 0.00 O ATOM 497 OD2 ASP A 32 -10.548 -1.435 -0.143 1.00 0.00 O ATOM 0 H ASP A 32 -6.579 1.183 -0.562 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.006 -1.154 -2.016 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.715 -0.757 0.331 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.907 0.403 -0.220 1.00 0.00 H new ATOM 503 N ALA A 33 -8.603 1.488 -3.043 1.00 0.00 N ATOM 504 CA ALA A 33 -9.467 2.038 -4.073 1.00 0.00 C ATOM 505 C ALA A 33 -9.126 1.393 -5.417 1.00 0.00 C ATOM 506 O ALA A 33 -9.880 0.560 -5.920 1.00 0.00 O ATOM 507 CB ALA A 33 -9.321 3.561 -4.102 1.00 0.00 C ATOM 0 H ALA A 33 -8.104 2.184 -2.489 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.512 1.815 -3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -9.969 3.974 -4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.604 3.972 -3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.285 3.823 -4.319 1.00 0.00 H new ATOM 513 N GLU A 34 -7.990 1.801 -5.963 1.00 0.00 N ATOM 514 CA GLU A 34 -7.540 1.274 -7.240 1.00 0.00 C ATOM 515 C GLU A 34 -7.188 -0.209 -7.106 1.00 0.00 C ATOM 516 O GLU A 34 -7.505 -1.007 -7.988 1.00 0.00 O ATOM 517 CB GLU A 34 -6.350 2.073 -7.774 1.00 0.00 C ATOM 518 CG GLU A 34 -5.312 2.315 -6.676 1.00 0.00 C ATOM 519 CD GLU A 34 -5.190 3.806 -6.355 1.00 0.00 C ATOM 520 OE1 GLU A 34 -4.963 4.575 -7.314 1.00 0.00 O ATOM 521 OE2 GLU A 34 -5.324 4.141 -5.159 1.00 0.00 O ATOM 0 H GLU A 34 -7.367 2.491 -5.544 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.353 1.372 -7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.889 1.535 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.697 3.028 -8.168 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.595 1.768 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.344 1.928 -6.994 1.00 0.00 H new ATOM 529 N CYS A 35 -6.539 -0.534 -5.998 1.00 0.00 N ATOM 530 CA CYS A 35 -6.142 -1.907 -5.738 1.00 0.00 C ATOM 531 C CYS A 35 -7.341 -2.815 -6.016 1.00 0.00 C ATOM 532 O CYS A 35 -7.180 -3.930 -6.510 1.00 0.00 O ATOM 533 CB CYS A 35 -5.610 -2.083 -4.314 1.00 0.00 C ATOM 534 SG CYS A 35 -4.614 -3.594 -4.047 1.00 0.00 S ATOM 0 H CYS A 35 -6.278 0.130 -5.269 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.319 -2.181 -6.399 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.003 -1.215 -4.058 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.454 -2.095 -3.625 1.00 0.00 H new ATOM 539 N LYS A 36 -8.518 -2.304 -5.685 1.00 0.00 N ATOM 540 CA LYS A 36 -9.745 -3.055 -5.892 1.00 0.00 C ATOM 541 C LYS A 36 -9.964 -3.263 -7.392 1.00 0.00 C ATOM 542 O LYS A 36 -9.962 -4.395 -7.872 1.00 0.00 O ATOM 543 CB LYS A 36 -10.918 -2.371 -5.188 1.00 0.00 C ATOM 544 CG LYS A 36 -11.145 -2.965 -3.797 1.00 0.00 C ATOM 545 CD LYS A 36 -12.635 -2.985 -3.446 1.00 0.00 C ATOM 546 CE LYS A 36 -13.384 -4.013 -4.295 1.00 0.00 C ATOM 547 NZ LYS A 36 -14.802 -4.095 -3.879 1.00 0.00 N ATOM 0 H LYS A 36 -8.648 -1.379 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.666 -4.044 -5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.722 -1.302 -5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.822 -2.483 -5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.745 -3.978 -3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.601 -2.381 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.760 -3.220 -2.389 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.063 -1.995 -3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.323 -3.737 -5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.912 -4.990 -4.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.296 -4.798 -4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.855 -4.379 -2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.253 -3.166 -3.999 1.00 0.00 H new ATOM 561 N LYS A 37 -10.148 -2.152 -8.090 1.00 0.00 N ATOM 562 CA LYS A 37 -10.367 -2.197 -9.525 1.00 0.00 C ATOM 563 C LYS A 37 -9.142 -2.811 -10.205 1.00 0.00 C ATOM 564 O LYS A 37 -9.211 -3.225 -11.361 1.00 0.00 O ATOM 565 CB LYS A 37 -10.734 -0.811 -10.056 1.00 0.00 C ATOM 566 CG LYS A 37 -9.492 0.071 -10.192 1.00 0.00 C ATOM 567 CD LYS A 37 -9.438 0.733 -11.570 1.00 0.00 C ATOM 568 CE LYS A 37 -9.158 -0.299 -12.664 1.00 0.00 C ATOM 569 NZ LYS A 37 -9.167 0.343 -13.998 1.00 0.00 N ATOM 0 H LYS A 37 -10.150 -1.215 -7.688 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.217 -2.838 -9.759 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.224 -0.907 -11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.449 -0.337 -9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.499 0.837 -9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.596 -0.530 -10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.384 1.236 -11.773 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.662 1.498 -11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.191 -0.771 -12.488 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.909 -1.088 -12.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.975 -0.372 -14.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.098 0.773 -14.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.434 1.080 -14.034 1.00 0.00 H new ATOM 583 N LEU A 38 -8.048 -2.850 -9.459 1.00 0.00 N ATOM 584 CA LEU A 38 -6.809 -3.406 -9.975 1.00 0.00 C ATOM 585 C LEU A 38 -6.827 -4.927 -9.805 1.00 0.00 C ATOM 586 O LEU A 38 -6.703 -5.666 -10.780 1.00 0.00 O ATOM 587 CB LEU A 38 -5.604 -2.728 -9.320 1.00 0.00 C ATOM 588 CG LEU A 38 -5.323 -1.290 -9.758 1.00 0.00 C ATOM 589 CD1 LEU A 38 -4.386 -0.588 -8.772 1.00 0.00 C ATOM 590 CD2 LEU A 38 -4.784 -1.248 -11.190 1.00 0.00 C ATOM 0 H LEU A 38 -7.994 -2.505 -8.501 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.717 -3.206 -11.042 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.751 -2.736 -8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.718 -3.329 -9.525 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.265 -0.742 -9.752 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.203 0.433 -9.108 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.846 -0.568 -7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.441 -1.128 -8.721 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.593 -0.214 -11.477 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.857 -1.818 -11.247 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.519 -1.682 -11.868 1.00 0.00 H new ATOM 602 N PHE A 39 -6.982 -5.349 -8.559 1.00 0.00 N ATOM 603 CA PHE A 39 -7.017 -6.768 -8.248 1.00 0.00 C ATOM 604 C PHE A 39 -8.427 -7.334 -8.429 1.00 0.00 C ATOM 605 O PHE A 39 -8.716 -8.444 -7.987 1.00 0.00 O ATOM 606 CB PHE A 39 -6.605 -6.915 -6.781 1.00 0.00 C ATOM 607 CG PHE A 39 -5.093 -6.884 -6.553 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.295 -6.163 -7.386 1.00 0.00 C ATOM 609 CD2 PHE A 39 -4.547 -7.577 -5.518 1.00 0.00 C ATOM 610 CE1 PHE A 39 -2.891 -6.134 -7.174 1.00 0.00 C ATOM 611 CE2 PHE A 39 -3.143 -7.548 -5.307 1.00 0.00 C ATOM 612 CZ PHE A 39 -2.345 -6.828 -6.139 1.00 0.00 C ATOM 0 H PHE A 39 -7.085 -4.733 -7.753 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.348 -7.312 -8.915 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -7.066 -6.114 -6.203 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.001 -7.855 -6.396 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.729 -5.613 -8.208 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.181 -8.149 -4.857 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.257 -5.561 -7.834 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.709 -8.098 -4.485 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.277 -6.807 -5.978 1.00 0.00 H new ATOM 622 N HIS A 40 -9.268 -6.543 -9.080 1.00 0.00 N ATOM 623 CA HIS A 40 -10.641 -6.951 -9.326 1.00 0.00 C ATOM 624 C HIS A 40 -10.666 -8.400 -9.813 1.00 0.00 C ATOM 625 O HIS A 40 -11.203 -9.277 -9.139 1.00 0.00 O ATOM 626 CB HIS A 40 -11.329 -5.987 -10.293 1.00 0.00 C ATOM 627 CG HIS A 40 -12.585 -5.354 -9.742 1.00 0.00 C ATOM 628 ND1 HIS A 40 -12.731 -5.019 -8.407 1.00 0.00 N ATOM 629 CD2 HIS A 40 -13.750 -5.000 -10.357 1.00 0.00 C ATOM 630 CE1 HIS A 40 -13.933 -4.488 -8.238 1.00 0.00 C ATOM 631 NE2 HIS A 40 -14.563 -4.476 -9.448 1.00 0.00 N ATOM 0 H HIS A 40 -9.025 -5.622 -9.444 1.00 0.00 H new ATOM 0 HA HIS A 40 -11.210 -6.908 -8.397 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.627 -5.199 -10.565 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.577 -6.523 -11.209 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -12.032 -5.157 -7.677 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -13.973 -5.125 -11.406 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -14.342 -4.128 -7.306 1.00 0.00 H new ATOM 640 N THR A 41 -10.079 -8.607 -10.983 1.00 0.00 N ATOM 641 CA THR A 41 -10.027 -9.936 -11.569 1.00 0.00 C ATOM 642 C THR A 41 -9.178 -10.869 -10.704 1.00 0.00 C ATOM 643 O THR A 41 -9.522 -12.035 -10.520 1.00 0.00 O ATOM 644 CB THR A 41 -9.511 -9.799 -13.004 1.00 0.00 C ATOM 645 OG1 THR A 41 -8.158 -9.380 -12.847 1.00 0.00 O ATOM 646 CG2 THR A 41 -10.175 -8.646 -13.758 1.00 0.00 C ATOM 0 H THR A 41 -9.636 -7.877 -11.541 1.00 0.00 H new ATOM 0 HA THR A 41 -11.017 -10.391 -11.605 1.00 0.00 H new ATOM 0 HB THR A 41 -9.684 -10.731 -13.543 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.746 -9.268 -13.729 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.773 -8.594 -14.770 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.251 -8.813 -13.803 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.975 -7.709 -13.239 1.00 0.00 H new ATOM 654 N ILE A 42 -8.084 -10.319 -10.196 1.00 0.00 N ATOM 655 CA ILE A 42 -7.182 -11.087 -9.354 1.00 0.00 C ATOM 656 C ILE A 42 -8.002 -11.952 -8.394 1.00 0.00 C ATOM 657 O ILE A 42 -8.997 -11.494 -7.836 1.00 0.00 O ATOM 658 CB ILE A 42 -6.187 -10.162 -8.652 1.00 0.00 C ATOM 659 CG1 ILE A 42 -5.202 -9.556 -9.654 1.00 0.00 C ATOM 660 CG2 ILE A 42 -5.470 -10.891 -7.514 1.00 0.00 C ATOM 661 CD1 ILE A 42 -3.914 -9.111 -8.957 1.00 0.00 C ATOM 0 H ILE A 42 -7.802 -9.351 -10.351 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.579 -11.764 -9.959 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.743 -9.337 -8.207 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.967 -10.288 -10.427 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.663 -8.703 -10.152 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.768 -10.211 -7.031 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.202 -11.235 -6.784 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.928 -11.747 -7.915 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.231 -8.684 -9.692 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.149 -8.361 -8.202 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.443 -9.970 -8.480 1.00 0.00 H new ATOM 673 N PRO A 43 -7.539 -13.219 -8.225 1.00 0.00 N ATOM 674 CA PRO A 43 -8.217 -14.153 -7.341 1.00 0.00 C ATOM 675 C PRO A 43 -7.939 -13.819 -5.874 1.00 0.00 C ATOM 676 O PRO A 43 -6.829 -14.025 -5.386 1.00 0.00 O ATOM 677 CB PRO A 43 -7.702 -15.524 -7.746 1.00 0.00 C ATOM 678 CG PRO A 43 -6.417 -15.275 -8.519 1.00 0.00 C ATOM 679 CD PRO A 43 -6.362 -13.797 -8.868 1.00 0.00 C ATOM 0 HA PRO A 43 -9.302 -14.107 -7.434 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.517 -16.146 -6.870 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.432 -16.049 -8.361 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.551 -15.559 -7.921 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.392 -15.882 -9.424 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.444 -13.337 -8.500 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.385 -13.644 -9.947 1.00 0.00 H new ATOM 687 N PHE A 44 -8.966 -13.308 -5.211 1.00 0.00 N ATOM 688 CA PHE A 44 -8.847 -12.944 -3.810 1.00 0.00 C ATOM 689 C PHE A 44 -7.923 -11.737 -3.634 1.00 0.00 C ATOM 690 O PHE A 44 -7.612 -11.347 -2.510 1.00 0.00 O ATOM 691 CB PHE A 44 -8.238 -14.146 -3.085 1.00 0.00 C ATOM 692 CG PHE A 44 -8.574 -15.494 -3.728 1.00 0.00 C ATOM 693 CD1 PHE A 44 -9.867 -15.905 -3.811 1.00 0.00 C ATOM 694 CD2 PHE A 44 -7.577 -16.281 -4.216 1.00 0.00 C ATOM 695 CE1 PHE A 44 -10.178 -17.156 -4.407 1.00 0.00 C ATOM 696 CE2 PHE A 44 -7.888 -17.532 -4.812 1.00 0.00 C ATOM 697 CZ PHE A 44 -9.182 -17.943 -4.896 1.00 0.00 C ATOM 0 H PHE A 44 -9.885 -13.137 -5.619 1.00 0.00 H new ATOM 0 HA PHE A 44 -9.826 -12.681 -3.410 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.155 -14.029 -3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.587 -14.150 -2.052 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.658 -15.280 -3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.550 -15.954 -4.150 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.205 -17.483 -4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.097 -18.157 -5.199 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.418 -18.894 -5.351 1.00 0.00 H new ATOM 707 N GLY A 45 -7.508 -11.179 -4.763 1.00 0.00 N ATOM 708 CA GLY A 45 -6.626 -10.026 -4.747 1.00 0.00 C ATOM 709 C GLY A 45 -7.189 -8.916 -3.857 1.00 0.00 C ATOM 710 O GLY A 45 -6.589 -8.566 -2.842 1.00 0.00 O ATOM 0 H GLY A 45 -7.767 -11.505 -5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.641 -10.322 -4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.494 -9.651 -5.762 1.00 0.00 H new ATOM 714 N THR A 46 -8.335 -8.395 -4.269 1.00 0.00 N ATOM 715 CA THR A 46 -8.986 -7.333 -3.522 1.00 0.00 C ATOM 716 C THR A 46 -8.849 -7.578 -2.018 1.00 0.00 C ATOM 717 O THR A 46 -8.417 -6.695 -1.278 1.00 0.00 O ATOM 718 CB THR A 46 -10.439 -7.244 -3.993 1.00 0.00 C ATOM 719 OG1 THR A 46 -10.994 -8.511 -3.648 1.00 0.00 O ATOM 720 CG2 THR A 46 -10.558 -7.189 -5.518 1.00 0.00 C ATOM 0 H THR A 46 -8.830 -8.689 -5.111 1.00 0.00 H new ATOM 0 HA THR A 46 -8.510 -6.370 -3.708 1.00 0.00 H new ATOM 0 HB THR A 46 -10.907 -6.360 -3.560 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.936 -8.540 -3.917 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.609 -7.127 -5.799 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.030 -6.312 -5.893 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.120 -8.089 -5.950 1.00 0.00 H new ATOM 728 N ARG A 47 -9.225 -8.781 -1.610 1.00 0.00 N ATOM 729 CA ARG A 47 -9.150 -9.154 -0.208 1.00 0.00 C ATOM 730 C ARG A 47 -7.801 -8.735 0.380 1.00 0.00 C ATOM 731 O ARG A 47 -7.737 -8.236 1.504 1.00 0.00 O ATOM 732 CB ARG A 47 -9.331 -10.662 -0.028 1.00 0.00 C ATOM 733 CG ARG A 47 -10.717 -11.108 -0.498 1.00 0.00 C ATOM 734 CD ARG A 47 -11.797 -10.683 0.500 1.00 0.00 C ATOM 735 NE ARG A 47 -13.132 -10.769 -0.132 1.00 0.00 N ATOM 736 CZ ARG A 47 -13.824 -11.907 -0.275 1.00 0.00 C ATOM 737 NH1 ARG A 47 -13.312 -13.063 0.169 1.00 0.00 N ATOM 738 NH2 ARG A 47 -15.029 -11.890 -0.862 1.00 0.00 N ATOM 0 H ARG A 47 -9.583 -9.511 -2.227 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.955 -8.639 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.564 -11.194 -0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.197 -10.925 1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.930 -10.676 -1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.733 -12.191 -0.618 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.761 -11.323 1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.611 -9.664 0.838 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.552 -9.907 -0.481 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.395 -13.076 0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -13.839 -13.929 0.060 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.419 -11.010 -1.200 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.556 -12.757 -0.971 1.00 0.00 H new ATOM 752 N GLU A 48 -6.756 -8.952 -0.404 1.00 0.00 N ATOM 753 CA GLU A 48 -5.412 -8.604 0.025 1.00 0.00 C ATOM 754 C GLU A 48 -5.267 -7.085 0.135 1.00 0.00 C ATOM 755 O GLU A 48 -4.513 -6.588 0.971 1.00 0.00 O ATOM 756 CB GLU A 48 -4.364 -9.187 -0.925 1.00 0.00 C ATOM 757 CG GLU A 48 -3.642 -10.373 -0.283 1.00 0.00 C ATOM 758 CD GLU A 48 -3.080 -9.996 1.089 1.00 0.00 C ATOM 759 OE1 GLU A 48 -2.330 -8.998 1.140 1.00 0.00 O ATOM 760 OE2 GLU A 48 -3.414 -10.715 2.056 1.00 0.00 O ATOM 0 H GLU A 48 -6.813 -9.365 -1.335 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.243 -9.038 1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.844 -9.506 -1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.640 -8.417 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.332 -11.211 -0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.832 -10.705 -0.933 1.00 0.00 H new ATOM 768 N CYS A 49 -6.002 -6.389 -0.720 1.00 0.00 N ATOM 769 CA CYS A 49 -5.964 -4.936 -0.730 1.00 0.00 C ATOM 770 C CYS A 49 -6.474 -4.434 0.622 1.00 0.00 C ATOM 771 O CYS A 49 -5.912 -3.502 1.195 1.00 0.00 O ATOM 772 CB CYS A 49 -6.769 -4.358 -1.895 1.00 0.00 C ATOM 773 SG CYS A 49 -6.231 -4.915 -3.552 1.00 0.00 S ATOM 0 H CYS A 49 -6.627 -6.804 -1.411 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.939 -4.596 -0.879 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -7.818 -4.624 -1.761 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.708 -3.270 -1.856 1.00 0.00 H new ATOM 778 N ASP A 50 -7.535 -5.074 1.093 1.00 0.00 N ATOM 779 CA ASP A 50 -8.126 -4.704 2.367 1.00 0.00 C ATOM 780 C ASP A 50 -7.380 -5.415 3.498 1.00 0.00 C ATOM 781 O ASP A 50 -7.621 -5.142 4.673 1.00 0.00 O ATOM 782 CB ASP A 50 -9.597 -5.124 2.434 1.00 0.00 C ATOM 783 CG ASP A 50 -10.497 -4.195 3.250 1.00 0.00 C ATOM 784 OD1 ASP A 50 -10.372 -4.230 4.493 1.00 0.00 O ATOM 785 OD2 ASP A 50 -11.292 -3.470 2.612 1.00 0.00 O ATOM 0 H ASP A 50 -8.000 -5.846 0.615 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.054 -3.621 2.470 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.989 -5.185 1.419 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.654 -6.126 2.859 1.00 0.00 H new ATOM 791 N HIS A 51 -6.489 -6.312 3.103 1.00 0.00 N ATOM 792 CA HIS A 51 -5.707 -7.065 4.068 1.00 0.00 C ATOM 793 C HIS A 51 -4.296 -6.476 4.157 1.00 0.00 C ATOM 794 O HIS A 51 -3.443 -7.003 4.867 1.00 0.00 O ATOM 795 CB HIS A 51 -5.706 -8.555 3.724 1.00 0.00 C ATOM 796 CG HIS A 51 -5.378 -9.455 4.892 1.00 0.00 C ATOM 797 ND1 HIS A 51 -6.248 -9.658 5.949 1.00 0.00 N ATOM 798 CD2 HIS A 51 -4.269 -10.204 5.156 1.00 0.00 C ATOM 799 CE1 HIS A 51 -5.677 -10.492 6.805 1.00 0.00 C ATOM 800 NE2 HIS A 51 -4.450 -10.828 6.314 1.00 0.00 N ATOM 0 H HIS A 51 -6.291 -6.534 2.127 1.00 0.00 H new ATOM 0 HA HIS A 51 -6.162 -6.980 5.055 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.686 -8.828 3.332 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.984 -8.733 2.927 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.392 -10.277 4.529 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.108 -10.844 7.730 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.782 -11.455 6.762 1.00 0.00 H new ATOM 809 N TYR A 52 -4.097 -5.390 3.425 1.00 0.00 N ATOM 810 CA TYR A 52 -2.806 -4.723 3.411 1.00 0.00 C ATOM 811 C TYR A 52 -2.876 -3.377 4.137 1.00 0.00 C ATOM 812 O TYR A 52 -2.037 -3.082 4.987 1.00 0.00 O ATOM 813 CB TYR A 52 -2.474 -4.478 1.938 1.00 0.00 C ATOM 814 CG TYR A 52 -1.002 -4.149 1.679 1.00 0.00 C ATOM 815 CD1 TYR A 52 -0.018 -5.035 2.069 1.00 0.00 C ATOM 816 CD2 TYR A 52 -0.659 -2.966 1.055 1.00 0.00 C ATOM 817 CE1 TYR A 52 1.367 -4.725 1.825 1.00 0.00 C ATOM 818 CE2 TYR A 52 0.726 -2.657 0.812 1.00 0.00 C ATOM 819 CZ TYR A 52 1.671 -3.551 1.209 1.00 0.00 C ATOM 820 OH TYR A 52 2.979 -3.259 0.978 1.00 0.00 O ATOM 0 H TYR A 52 -4.808 -4.955 2.837 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.054 -5.332 3.913 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.745 -5.364 1.363 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.090 -3.658 1.569 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.287 -5.960 2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.429 -2.273 0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.147 -5.409 2.124 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.008 -1.735 0.325 1.00 0.00 H new ATOM 0 HH TYR A 52 3.178 -3.382 0.026 1.00 0.00 H new ATOM 830 N VAL A 53 -3.885 -2.599 3.776 1.00 0.00 N ATOM 831 CA VAL A 53 -4.075 -1.291 4.382 1.00 0.00 C ATOM 832 C VAL A 53 -4.664 -1.465 5.784 1.00 0.00 C ATOM 833 O VAL A 53 -5.717 -0.908 6.091 1.00 0.00 O ATOM 834 CB VAL A 53 -4.940 -0.414 3.474 1.00 0.00 C ATOM 835 CG1 VAL A 53 -4.508 -0.546 2.012 1.00 0.00 C ATOM 836 CG2 VAL A 53 -6.424 -0.750 3.639 1.00 0.00 C ATOM 0 H VAL A 53 -4.580 -2.848 3.072 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.120 -0.778 4.492 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.796 0.624 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.138 0.087 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.468 -0.235 1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.609 -1.584 1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.017 -0.113 2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.592 -1.795 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.722 -0.582 4.674 1.00 0.00 H new ATOM 846 N ASN A 54 -3.959 -2.239 6.594 1.00 0.00 N ATOM 847 CA ASN A 54 -4.399 -2.492 7.956 1.00 0.00 C ATOM 848 C ASN A 54 -3.276 -3.186 8.730 1.00 0.00 C ATOM 849 O ASN A 54 -3.536 -4.046 9.570 1.00 0.00 O ATOM 850 CB ASN A 54 -5.625 -3.410 7.977 1.00 0.00 C ATOM 851 CG ASN A 54 -6.209 -3.510 9.388 1.00 0.00 C ATOM 852 OD1 ASN A 54 -6.463 -2.521 10.054 1.00 0.00 O ATOM 853 ND2 ASN A 54 -6.409 -4.758 9.803 1.00 0.00 N ATOM 0 H ASN A 54 -3.087 -2.699 6.335 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.656 -1.535 8.411 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.382 -3.028 7.292 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.347 -4.403 7.623 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.797 -4.931 10.730 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.174 -5.542 9.194 1.00 0.00 H new ATOM 860 N SER A 55 -2.052 -2.786 8.418 1.00 0.00 N ATOM 861 CA SER A 55 -0.888 -3.358 9.074 1.00 0.00 C ATOM 862 C SER A 55 0.361 -3.116 8.226 1.00 0.00 C ATOM 863 O SER A 55 1.473 -3.068 8.751 1.00 0.00 O ATOM 864 CB SER A 55 -1.078 -4.856 9.325 1.00 0.00 C ATOM 865 OG SER A 55 -1.456 -5.127 10.672 1.00 0.00 O ATOM 0 H SER A 55 -1.841 -2.073 7.720 1.00 0.00 H new ATOM 0 HA SER A 55 -0.764 -2.868 10.040 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.841 -5.243 8.649 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.152 -5.383 9.095 1.00 0.00 H new ATOM 0 HG SER A 55 -2.386 -4.851 10.813 1.00 0.00 H new ATOM 871 N LYS A 56 0.138 -2.972 6.928 1.00 0.00 N ATOM 872 CA LYS A 56 1.232 -2.737 6.001 1.00 0.00 C ATOM 873 C LYS A 56 1.255 -1.257 5.611 1.00 0.00 C ATOM 874 O LYS A 56 2.173 -0.807 4.926 1.00 0.00 O ATOM 875 CB LYS A 56 1.137 -3.687 4.807 1.00 0.00 C ATOM 876 CG LYS A 56 1.014 -5.140 5.270 1.00 0.00 C ATOM 877 CD LYS A 56 2.379 -5.834 5.264 1.00 0.00 C ATOM 878 CE LYS A 56 2.450 -6.911 6.348 1.00 0.00 C ATOM 879 NZ LYS A 56 2.966 -8.179 5.786 1.00 0.00 N ATOM 0 H LYS A 56 -0.785 -3.014 6.496 1.00 0.00 H new ATOM 0 HA LYS A 56 2.188 -2.957 6.476 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.275 -3.422 4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.020 -3.576 4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.590 -5.171 6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.326 -5.677 4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.558 -6.283 4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.166 -5.098 5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.096 -6.576 7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.460 -7.072 6.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.008 -8.899 6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.334 -8.505 5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.919 -8.025 5.400 1.00 0.00 H new ATOM 893 N VAL A 57 0.235 -0.543 6.063 1.00 0.00 N ATOM 894 CA VAL A 57 0.127 0.876 5.769 1.00 0.00 C ATOM 895 C VAL A 57 0.774 1.677 6.901 1.00 0.00 C ATOM 896 O VAL A 57 1.512 2.628 6.649 1.00 0.00 O ATOM 897 CB VAL A 57 -1.338 1.250 5.534 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.665 2.607 6.162 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.672 1.244 4.040 1.00 0.00 C ATOM 0 H VAL A 57 -0.524 -0.920 6.631 1.00 0.00 H new ATOM 0 HA VAL A 57 0.663 1.119 4.851 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.958 0.497 6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.712 2.849 5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.483 2.564 7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.033 3.376 5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.719 1.513 3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.040 1.966 3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.495 0.249 3.632 1.00 0.00 H new ATOM 909 N ASP A 58 0.473 1.264 8.123 1.00 0.00 N ATOM 910 CA ASP A 58 1.015 1.932 9.293 1.00 0.00 C ATOM 911 C ASP A 58 2.537 2.028 9.161 1.00 0.00 C ATOM 912 O ASP A 58 3.121 3.079 9.417 1.00 0.00 O ATOM 913 CB ASP A 58 0.700 1.149 10.570 1.00 0.00 C ATOM 914 CG ASP A 58 0.077 1.974 11.698 1.00 0.00 C ATOM 915 OD1 ASP A 58 -0.542 3.009 11.369 1.00 0.00 O ATOM 916 OD2 ASP A 58 0.236 1.553 12.863 1.00 0.00 O ATOM 0 H ASP A 58 -0.140 0.475 8.328 1.00 0.00 H new ATOM 0 HA ASP A 58 0.563 2.922 9.356 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.022 0.333 10.320 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.621 0.697 10.937 1.00 0.00 H new ATOM 922 N PRO A 59 3.151 0.886 8.749 1.00 0.00 N ATOM 923 CA PRO A 59 4.593 0.831 8.580 1.00 0.00 C ATOM 924 C PRO A 59 5.023 1.562 7.307 1.00 0.00 C ATOM 925 O PRO A 59 5.833 2.487 7.360 1.00 0.00 O ATOM 926 CB PRO A 59 4.930 -0.651 8.557 1.00 0.00 C ATOM 927 CG PRO A 59 3.627 -1.370 8.248 1.00 0.00 C ATOM 928 CD PRO A 59 2.491 -0.379 8.437 1.00 0.00 C ATOM 0 HA PRO A 59 5.131 1.335 9.383 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.685 -0.868 7.801 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.337 -0.974 9.515 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.635 -1.752 7.227 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.499 -2.228 8.908 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.883 -0.297 7.536 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.826 -0.688 9.243 1.00 0.00 H new ATOM 936 N ILE A 60 4.461 1.121 6.190 1.00 0.00 N ATOM 937 CA ILE A 60 4.777 1.721 4.906 1.00 0.00 C ATOM 938 C ILE A 60 4.789 3.245 5.049 1.00 0.00 C ATOM 939 O ILE A 60 5.797 3.891 4.767 1.00 0.00 O ATOM 940 CB ILE A 60 3.819 1.213 3.826 1.00 0.00 C ATOM 941 CG1 ILE A 60 4.165 -0.221 3.419 1.00 0.00 C ATOM 942 CG2 ILE A 60 3.793 2.161 2.625 1.00 0.00 C ATOM 943 CD1 ILE A 60 3.087 -0.804 2.502 1.00 0.00 C ATOM 0 H ILE A 60 3.789 0.355 6.149 1.00 0.00 H new ATOM 0 HA ILE A 60 5.774 1.422 4.582 1.00 0.00 H new ATOM 0 HB ILE A 60 2.812 1.196 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.129 -0.236 2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.265 -0.842 4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.104 1.776 1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.463 3.148 2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.793 2.235 2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.356 -1.824 2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.130 -0.809 3.023 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.006 -0.195 1.602 1.00 0.00 H new ATOM 955 N ILE A 61 3.656 3.775 5.487 1.00 0.00 N ATOM 956 CA ILE A 61 3.523 5.210 5.671 1.00 0.00 C ATOM 957 C ILE A 61 4.629 5.704 6.605 1.00 0.00 C ATOM 958 O ILE A 61 5.025 6.867 6.543 1.00 0.00 O ATOM 959 CB ILE A 61 2.112 5.561 6.148 1.00 0.00 C ATOM 960 CG1 ILE A 61 1.059 5.056 5.160 1.00 0.00 C ATOM 961 CG2 ILE A 61 1.980 7.062 6.409 1.00 0.00 C ATOM 962 CD1 ILE A 61 -0.108 6.040 5.051 1.00 0.00 C ATOM 0 H ILE A 61 2.822 3.236 5.720 1.00 0.00 H new ATOM 0 HA ILE A 61 3.651 5.730 4.721 1.00 0.00 H new ATOM 0 HB ILE A 61 1.934 5.053 7.096 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.513 4.915 4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.690 4.083 5.483 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.968 7.285 6.747 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.693 7.362 7.177 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.185 7.611 5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.842 5.657 4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.575 6.160 6.028 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.261 7.005 4.705 1.00 0.00 H new ATOM 974 N HIS A 62 5.097 4.796 7.449 1.00 0.00 N ATOM 975 CA HIS A 62 6.149 5.125 8.395 1.00 0.00 C ATOM 976 C HIS A 62 7.466 5.335 7.646 1.00 0.00 C ATOM 977 O HIS A 62 8.298 6.142 8.058 1.00 0.00 O ATOM 978 CB HIS A 62 6.251 4.059 9.488 1.00 0.00 C ATOM 979 CG HIS A 62 7.536 3.268 9.454 1.00 0.00 C ATOM 980 ND1 HIS A 62 8.223 2.726 8.407 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 8.256 2.957 10.595 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 9.304 2.119 8.883 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 9.325 2.261 10.239 1.00 0.00 N flip ATOM 0 H HIS A 62 4.767 3.832 7.497 1.00 0.00 H new ATOM 0 HA HIS A 62 5.907 6.059 8.902 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.158 4.541 10.461 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.410 3.372 9.391 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.991 3.235 11.604 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.044 1.599 8.293 1.00 0.00 H new ATOM 0 HE2 HIS A 62 10.039 1.895 10.869 1.00 0.00 H new ATOM 992 N GLU A 63 7.615 4.593 6.558 1.00 0.00 N ATOM 993 CA GLU A 63 8.817 4.687 5.747 1.00 0.00 C ATOM 994 C GLU A 63 8.889 6.052 5.061 1.00 0.00 C ATOM 995 O GLU A 63 9.977 6.564 4.801 1.00 0.00 O ATOM 996 CB GLU A 63 8.875 3.554 4.720 1.00 0.00 C ATOM 997 CG GLU A 63 9.508 2.298 5.326 1.00 0.00 C ATOM 998 CD GLU A 63 8.516 1.133 5.329 1.00 0.00 C ATOM 999 OE1 GLU A 63 7.449 1.297 5.958 1.00 0.00 O ATOM 1000 OE2 GLU A 63 8.849 0.103 4.703 1.00 0.00 O ATOM 0 H GLU A 63 6.923 3.924 6.219 1.00 0.00 H new ATOM 0 HA GLU A 63 9.682 4.585 6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.869 3.325 4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.451 3.874 3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.396 2.023 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.834 2.506 6.345 1.00 0.00 H new ATOM 1008 N LEU A 64 7.716 6.604 4.786 1.00 0.00 N ATOM 1009 CA LEU A 64 7.632 7.900 4.135 1.00 0.00 C ATOM 1010 C LEU A 64 7.550 8.996 5.199 1.00 0.00 C ATOM 1011 O LEU A 64 7.851 10.157 4.925 1.00 0.00 O ATOM 1012 CB LEU A 64 6.473 7.924 3.137 1.00 0.00 C ATOM 1013 CG LEU A 64 6.259 6.645 2.325 1.00 0.00 C ATOM 1014 CD1 LEU A 64 4.793 6.492 1.917 1.00 0.00 C ATOM 1015 CD2 LEU A 64 7.198 6.598 1.118 1.00 0.00 C ATOM 0 H LEU A 64 6.815 6.177 5.002 1.00 0.00 H new ATOM 0 HA LEU A 64 8.531 8.091 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.555 8.142 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.635 8.748 2.443 1.00 0.00 H new ATOM 0 HG LEU A 64 6.506 5.794 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.669 5.575 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.170 6.447 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.494 7.345 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.025 5.679 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.006 7.456 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.232 6.625 1.460 1.00 0.00 H new ATOM 1027 N GLU A 65 7.141 8.589 6.392 1.00 0.00 N ATOM 1028 CA GLU A 65 7.016 9.522 7.499 1.00 0.00 C ATOM 1029 C GLU A 65 8.350 10.226 7.753 1.00 0.00 C ATOM 1030 O GLU A 65 8.391 11.444 7.922 1.00 0.00 O ATOM 1031 CB GLU A 65 6.521 8.812 8.761 1.00 0.00 C ATOM 1032 CG GLU A 65 4.993 8.836 8.840 1.00 0.00 C ATOM 1033 CD GLU A 65 4.524 9.219 10.245 1.00 0.00 C ATOM 1034 OE1 GLU A 65 5.120 8.689 11.208 1.00 0.00 O ATOM 1035 OE2 GLU A 65 3.577 10.032 10.325 1.00 0.00 O ATOM 0 H GLU A 65 6.892 7.626 6.616 1.00 0.00 H new ATOM 0 HA GLU A 65 6.275 10.276 7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.873 7.780 8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.942 9.295 9.643 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.599 9.547 8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.596 7.856 8.574 1.00 0.00 H new ATOM 1043 N GLY A 66 9.409 9.429 7.773 1.00 0.00 N ATOM 1044 CA GLY A 66 10.742 9.962 8.004 1.00 0.00 C ATOM 1045 C GLY A 66 11.754 8.833 8.207 1.00 0.00 C ATOM 1046 O GLY A 66 11.810 8.228 9.277 1.00 0.00 O ATOM 0 H GLY A 66 9.371 8.419 7.633 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.043 10.578 7.157 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.732 10.609 8.881 1.00 0.00 H new ATOM 1050 N GLY A 67 12.531 8.584 7.163 1.00 0.00 N ATOM 1051 CA GLY A 67 13.540 7.539 7.213 1.00 0.00 C ATOM 1052 C GLY A 67 13.683 6.851 5.855 1.00 0.00 C ATOM 1053 O GLY A 67 14.761 6.368 5.509 1.00 0.00 O ATOM 0 H GLY A 67 12.482 9.088 6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.497 7.967 7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.270 6.804 7.971 1.00 0.00 H new ATOM 1057 N THR A 68 12.582 6.827 5.118 1.00 0.00 N ATOM 1058 CA THR A 68 12.571 6.205 3.805 1.00 0.00 C ATOM 1059 C THR A 68 11.715 7.022 2.836 1.00 0.00 C ATOM 1060 O THR A 68 11.057 7.981 3.239 1.00 0.00 O ATOM 1061 CB THR A 68 12.093 4.761 3.969 1.00 0.00 C ATOM 1062 OG1 THR A 68 13.142 4.129 4.698 1.00 0.00 O ATOM 1063 CG2 THR A 68 12.053 4.003 2.641 1.00 0.00 C ATOM 0 H THR A 68 11.690 7.229 5.406 1.00 0.00 H new ATOM 0 HA THR A 68 13.570 6.184 3.369 1.00 0.00 H new ATOM 0 HB THR A 68 11.100 4.756 4.419 1.00 0.00 H new ATOM 0 HG1 THR A 68 13.506 3.388 4.171 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.707 2.984 2.814 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.371 4.506 1.955 1.00 0.00 H new ATOM 0 HG23 THR A 68 13.052 3.978 2.206 1.00 0.00 H new ATOM 1071 N ALA A 69 11.750 6.613 1.575 1.00 0.00 N ATOM 1072 CA ALA A 69 10.986 7.295 0.546 1.00 0.00 C ATOM 1073 C ALA A 69 10.058 6.292 -0.142 1.00 0.00 C ATOM 1074 O ALA A 69 10.113 5.096 0.138 1.00 0.00 O ATOM 1075 CB ALA A 69 11.943 7.972 -0.437 1.00 0.00 C ATOM 0 H ALA A 69 12.296 5.818 1.244 1.00 0.00 H new ATOM 0 HA ALA A 69 10.363 8.075 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.369 8.484 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.560 8.695 0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.583 7.220 -0.899 1.00 0.00 H new ATOM 1081 N PRO A 70 9.203 6.830 -1.054 1.00 0.00 N ATOM 1082 CA PRO A 70 8.265 5.996 -1.784 1.00 0.00 C ATOM 1083 C PRO A 70 8.977 5.194 -2.875 1.00 0.00 C ATOM 1084 O PRO A 70 8.773 5.437 -4.063 1.00 0.00 O ATOM 1085 CB PRO A 70 7.228 6.960 -2.337 1.00 0.00 C ATOM 1086 CG PRO A 70 7.874 8.337 -2.291 1.00 0.00 C ATOM 1087 CD PRO A 70 9.109 8.243 -1.411 1.00 0.00 C ATOM 0 HA PRO A 70 7.793 5.243 -1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.950 6.693 -3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.315 6.936 -1.741 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.144 8.665 -3.295 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.176 9.073 -1.892 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.000 8.577 -1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.012 8.870 -0.525 1.00 0.00 H new ATOM 1095 N LYS A 71 9.800 4.255 -2.432 1.00 0.00 N ATOM 1096 CA LYS A 71 10.544 3.415 -3.356 1.00 0.00 C ATOM 1097 C LYS A 71 11.326 2.364 -2.566 1.00 0.00 C ATOM 1098 O LYS A 71 11.431 1.214 -2.993 1.00 0.00 O ATOM 1099 CB LYS A 71 11.420 4.273 -4.271 1.00 0.00 C ATOM 1100 CG LYS A 71 12.577 4.901 -3.493 1.00 0.00 C ATOM 1101 CD LYS A 71 13.615 5.502 -4.442 1.00 0.00 C ATOM 1102 CE LYS A 71 13.837 6.987 -4.144 1.00 0.00 C ATOM 1103 NZ LYS A 71 15.081 7.179 -3.367 1.00 0.00 N ATOM 0 H LYS A 71 9.968 4.057 -1.446 1.00 0.00 H new ATOM 0 HA LYS A 71 9.863 2.877 -4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.813 3.661 -5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.816 5.057 -4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.195 5.676 -2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.049 4.146 -2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 71 14.557 4.963 -4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.284 5.380 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.894 7.547 -5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.988 7.383 -3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.217 8.192 -3.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.012 6.661 -2.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.890 6.820 -3.913 1.00 0.00 H new ATOM 1117 N ASP A 72 11.853 2.793 -1.429 1.00 0.00 N ATOM 1118 CA ASP A 72 12.621 1.903 -0.576 1.00 0.00 C ATOM 1119 C ASP A 72 11.833 1.626 0.705 1.00 0.00 C ATOM 1120 O ASP A 72 12.387 1.123 1.681 1.00 0.00 O ATOM 1121 CB ASP A 72 13.958 2.536 -0.182 1.00 0.00 C ATOM 1122 CG ASP A 72 15.115 1.549 -0.013 1.00 0.00 C ATOM 1123 OD1 ASP A 72 15.049 0.756 0.950 1.00 0.00 O ATOM 1124 OD2 ASP A 72 16.039 1.610 -0.852 1.00 0.00 O ATOM 0 H ASP A 72 11.763 3.747 -1.078 1.00 0.00 H new ATOM 0 HA ASP A 72 12.807 0.982 -1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.233 3.269 -0.940 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.824 3.079 0.753 1.00 0.00 H new ATOM 1130 N VAL A 73 10.553 1.965 0.660 1.00 0.00 N ATOM 1131 CA VAL A 73 9.683 1.758 1.805 1.00 0.00 C ATOM 1132 C VAL A 73 9.623 0.265 2.131 1.00 0.00 C ATOM 1133 O VAL A 73 10.389 -0.225 2.961 1.00 0.00 O ATOM 1134 CB VAL A 73 8.307 2.367 1.533 1.00 0.00 C ATOM 1135 CG1 VAL A 73 7.234 1.710 2.404 1.00 0.00 C ATOM 1136 CG2 VAL A 73 8.326 3.883 1.738 1.00 0.00 C ATOM 0 H VAL A 73 10.097 2.382 -0.152 1.00 0.00 H new ATOM 0 HA VAL A 73 10.080 2.266 2.684 1.00 0.00 H new ATOM 0 HB VAL A 73 8.057 2.174 0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.265 2.162 2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.192 0.643 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.479 1.857 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.335 4.290 1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.609 4.108 2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.047 4.333 1.056 1.00 0.00 H new ATOM 1146 N CYS A 74 8.705 -0.418 1.463 1.00 0.00 N ATOM 1147 CA CYS A 74 8.535 -1.846 1.672 1.00 0.00 C ATOM 1148 C CYS A 74 9.915 -2.467 1.892 1.00 0.00 C ATOM 1149 O CYS A 74 10.124 -3.198 2.859 1.00 0.00 O ATOM 1150 CB CYS A 74 7.793 -2.504 0.506 1.00 0.00 C ATOM 1151 SG CYS A 74 7.929 -1.616 -1.088 1.00 0.00 S ATOM 0 H CYS A 74 8.071 -0.009 0.777 1.00 0.00 H new ATOM 0 HA CYS A 74 7.916 -2.016 2.553 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.175 -3.517 0.376 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.739 -2.592 0.768 1.00 0.00 H new ATOM 1156 N THR A 75 10.823 -2.154 0.978 1.00 0.00 N ATOM 1157 CA THR A 75 12.178 -2.672 1.062 1.00 0.00 C ATOM 1158 C THR A 75 12.715 -2.537 2.488 1.00 0.00 C ATOM 1159 O THR A 75 13.205 -3.507 3.064 1.00 0.00 O ATOM 1160 CB THR A 75 13.028 -1.941 0.021 1.00 0.00 C ATOM 1161 OG1 THR A 75 12.266 -2.036 -1.180 1.00 0.00 O ATOM 1162 CG2 THR A 75 14.326 -2.684 -0.302 1.00 0.00 C ATOM 0 H THR A 75 10.647 -1.549 0.176 1.00 0.00 H new ATOM 0 HA THR A 75 12.208 -3.738 0.838 1.00 0.00 H new ATOM 0 HB THR A 75 13.263 -0.940 0.384 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.744 -1.586 -1.907 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.891 -2.122 -1.046 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.922 -2.787 0.605 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.091 -3.673 -0.696 1.00 0.00 H new ATOM 1170 N LYS A 76 12.604 -1.328 3.016 1.00 0.00 N ATOM 1171 CA LYS A 76 13.071 -1.054 4.364 1.00 0.00 C ATOM 1172 C LYS A 76 12.686 -2.217 5.279 1.00 0.00 C ATOM 1173 O LYS A 76 13.547 -2.820 5.919 1.00 0.00 O ATOM 1174 CB LYS A 76 12.555 0.304 4.845 1.00 0.00 C ATOM 1175 CG LYS A 76 12.930 0.546 6.308 1.00 0.00 C ATOM 1176 CD LYS A 76 13.703 1.857 6.466 1.00 0.00 C ATOM 1177 CE LYS A 76 14.534 1.852 7.750 1.00 0.00 C ATOM 1178 NZ LYS A 76 15.956 2.133 7.448 1.00 0.00 N ATOM 0 H LYS A 76 12.197 -0.526 2.535 1.00 0.00 H new ATOM 0 HA LYS A 76 14.158 -0.980 4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.972 1.096 4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.472 0.346 4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.027 0.576 6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.535 -0.283 6.674 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.357 2.004 5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.006 2.695 6.483 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.148 2.600 8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.445 0.884 8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.506 2.126 8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.325 1.404 6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.037 3.067 6.997 1.00 0.00 H new ATOM 1192 N LEU A 77 11.392 -2.498 5.314 1.00 0.00 N ATOM 1193 CA LEU A 77 10.883 -3.579 6.140 1.00 0.00 C ATOM 1194 C LEU A 77 10.895 -4.880 5.335 1.00 0.00 C ATOM 1195 O LEU A 77 9.970 -5.685 5.432 1.00 0.00 O ATOM 1196 CB LEU A 77 9.506 -3.219 6.703 1.00 0.00 C ATOM 1197 CG LEU A 77 9.242 -1.729 6.930 1.00 0.00 C ATOM 1198 CD1 LEU A 77 7.752 -1.411 6.802 1.00 0.00 C ATOM 1199 CD2 LEU A 77 9.813 -1.269 8.273 1.00 0.00 C ATOM 0 H LEU A 77 10.680 -1.995 4.783 1.00 0.00 H new ATOM 0 HA LEU A 77 11.528 -3.733 7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.746 -3.603 6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.376 -3.739 7.652 1.00 0.00 H new ATOM 0 HG LEU A 77 9.759 -1.168 6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.592 -0.346 6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.407 -1.679 5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.193 -1.982 7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.612 -0.206 8.409 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.345 -1.833 9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.890 -1.439 8.288 1.00 0.00 H new ATOM 1211 N ASN A 78 11.955 -5.048 4.558 1.00 0.00 N ATOM 1212 CA ASN A 78 12.103 -6.237 3.737 1.00 0.00 C ATOM 1213 C ASN A 78 10.739 -6.624 3.159 1.00 0.00 C ATOM 1214 O ASN A 78 10.480 -7.799 2.904 1.00 0.00 O ATOM 1215 CB ASN A 78 12.617 -7.416 4.564 1.00 0.00 C ATOM 1216 CG ASN A 78 14.101 -7.671 4.291 1.00 0.00 C ATOM 1217 OD1 ASN A 78 14.509 -7.999 3.189 1.00 0.00 O ATOM 1218 ND2 ASN A 78 14.883 -7.503 5.354 1.00 0.00 N ATOM 0 H ASN A 78 12.721 -4.379 4.480 1.00 0.00 H new ATOM 0 HA ASN A 78 12.817 -6.014 2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.468 -7.213 5.625 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.041 -8.310 4.326 1.00 0.00 H new ATOM 0 HD21 ASN A 78 15.889 -7.650 5.275 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.476 -7.227 6.248 1.00 0.00 H new ATOM 1225 N GLU A 79 9.903 -5.613 2.970 1.00 0.00 N ATOM 1226 CA GLU A 79 8.575 -5.833 2.428 1.00 0.00 C ATOM 1227 C GLU A 79 8.628 -5.892 0.900 1.00 0.00 C ATOM 1228 O GLU A 79 7.767 -6.504 0.268 1.00 0.00 O ATOM 1229 CB GLU A 79 7.603 -4.748 2.900 1.00 0.00 C ATOM 1230 CG GLU A 79 6.352 -5.368 3.526 1.00 0.00 C ATOM 1231 CD GLU A 79 5.350 -5.786 2.448 1.00 0.00 C ATOM 1232 OE1 GLU A 79 5.189 -5.003 1.488 1.00 0.00 O ATOM 1233 OE2 GLU A 79 4.767 -6.880 2.610 1.00 0.00 O ATOM 0 H GLU A 79 10.121 -4.640 3.183 1.00 0.00 H new ATOM 0 HA GLU A 79 8.208 -6.791 2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.097 -4.104 3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.318 -4.118 2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.632 -6.236 4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.886 -4.652 4.203 1.00 0.00 H new ATOM 1241 N CYS A 80 9.646 -5.249 0.349 1.00 0.00 N ATOM 1242 CA CYS A 80 9.823 -5.221 -1.093 1.00 0.00 C ATOM 1243 C CYS A 80 11.134 -5.936 -1.430 1.00 0.00 C ATOM 1244 O CYS A 80 12.170 -5.660 -0.825 1.00 0.00 O ATOM 1245 CB CYS A 80 9.797 -3.793 -1.639 1.00 0.00 C ATOM 1246 SG CYS A 80 8.223 -3.306 -2.439 1.00 0.00 S ATOM 0 H CYS A 80 10.358 -4.743 0.876 1.00 0.00 H new ATOM 0 HA CYS A 80 8.993 -5.739 -1.573 1.00 0.00 H new ATOM 0 HB2 CYS A 80 10.002 -3.102 -0.821 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.606 -3.680 -2.361 1.00 0.00 H new ATOM 1251 N PRO A 81 11.044 -6.865 -2.419 1.00 0.00 N ATOM 1252 CA PRO A 81 9.779 -7.131 -3.083 1.00 0.00 C ATOM 1253 C PRO A 81 8.849 -7.948 -2.183 1.00 0.00 C ATOM 1254 O PRO A 81 9.137 -9.103 -1.874 1.00 0.00 O ATOM 1255 CB PRO A 81 10.154 -7.856 -4.365 1.00 0.00 C ATOM 1256 CG PRO A 81 11.564 -8.380 -4.152 1.00 0.00 C ATOM 1257 CD PRO A 81 12.139 -7.683 -2.929 1.00 0.00 C ATOM 0 HA PRO A 81 9.220 -6.222 -3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.461 -8.672 -4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.113 -7.182 -5.221 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.552 -9.460 -4.006 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.181 -8.184 -5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.475 -8.404 -2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.002 -7.071 -3.191 1.00 0.00 H new TER 1265 PRO A 81