USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 574 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 61 SER OG : rot -133:sc= 0.641 USER MOD Set 1.2: A 63 GLN : amide:sc= -0.456 X(o=0.19,f=-0.067!) USER MOD Single : A 1 LYS NZ :NH3+ -171:sc= -0.0169 (180deg=-0.13) USER MOD Single : A 2 ASN : amide:sc= -0.175 K(o=-0.17,f=-2.5!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 164:sc= -0.0867 (180deg=-0.528) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0433 USER MOD Single : A 17 GLN : amide:sc= -0.342 K(o=-0.34,f=-11!) USER MOD Single : A 19 ASN : amide:sc= -1.38 K(o=-1.4,f=-8.5!) USER MOD Single : A 20 SER OG : rot -104:sc= 1.24 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.425 X(o=0.42,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -170:sc= -0.842 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= -0.0197 (180deg=-0.183) USER MOD Single : A 56 MET CE :methyl -161:sc= -0.146 (180deg=-0.593) USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= -0.0854 (180deg=-0.344) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -5.715 -4.633 -39.543 1.00 20.00 N ATOM 2 CA MET A -7 -4.598 -3.709 -39.247 1.00 20.00 C ATOM 3 C MET A -7 -5.140 -2.315 -38.954 1.00 20.00 C ATOM 4 O MET A -7 -5.164 -1.449 -39.830 1.00 20.00 O ATOM 5 CB MET A -7 -3.622 -3.655 -40.429 1.00 20.00 C ATOM 6 CG MET A -7 -2.334 -2.901 -40.131 1.00 20.00 C ATOM 7 SD MET A -7 -1.358 -3.682 -38.830 1.00 20.00 S ATOM 8 CE MET A -7 0.097 -2.636 -38.832 1.00 20.00 C ATOM 0 H1 MET A -7 -5.338 -5.581 -39.742 1.00 20.00 H new ATOM 0 H2 MET A -7 -6.354 -4.679 -38.724 1.00 20.00 H new ATOM 0 H3 MET A -7 -6.240 -4.289 -40.372 1.00 20.00 H new ATOM 0 HA MET A -7 -4.064 -4.075 -38.370 1.00 20.00 H new ATOM 0 HB2 MET A -7 -3.374 -4.673 -40.730 1.00 20.00 H new ATOM 0 HB3 MET A -7 -4.119 -3.184 -41.277 1.00 20.00 H new ATOM 0 HG2 MET A -7 -1.736 -2.837 -41.040 1.00 20.00 H new ATOM 0 HG3 MET A -7 -2.575 -1.880 -39.836 1.00 20.00 H new ATOM 0 HE1 MET A -7 0.800 -2.990 -38.078 1.00 20.00 H new ATOM 0 HE2 MET A -7 0.569 -2.671 -39.814 1.00 20.00 H new ATOM 0 HE3 MET A -7 -0.192 -1.610 -38.605 1.00 20.00 H new ATOM 20 N ASP A -6 -5.589 -2.109 -37.723 1.00 20.00 N ATOM 21 CA ASP A -6 -6.136 -0.822 -37.315 1.00 20.00 C ATOM 22 C ASP A -6 -5.914 -0.607 -35.825 1.00 20.00 C ATOM 23 O ASP A -6 -5.479 -1.512 -35.112 1.00 20.00 O ATOM 24 CB ASP A -6 -7.641 -0.736 -37.624 1.00 20.00 C ATOM 25 CG ASP A -6 -8.492 -1.558 -36.668 1.00 20.00 C ATOM 26 OD1 ASP A -6 -8.835 -1.047 -35.579 1.00 20.00 O ATOM 27 OD2 ASP A -6 -8.830 -2.712 -37.008 1.00 20.00 O ATOM 0 H ASP A -6 -5.585 -2.817 -36.989 1.00 20.00 H new ATOM 0 HA ASP A -6 -5.619 -0.045 -37.879 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -7.957 0.306 -37.578 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -7.817 -1.078 -38.644 1.00 20.00 H new ATOM 32 N TYR A -5 -6.209 0.596 -35.365 1.00 20.00 N ATOM 33 CA TYR A -5 -6.122 0.920 -33.950 1.00 20.00 C ATOM 34 C TYR A -5 -7.364 1.692 -33.522 1.00 20.00 C ATOM 35 O TYR A -5 -7.295 2.616 -32.713 1.00 20.00 O ATOM 36 CB TYR A -5 -4.838 1.712 -33.645 1.00 20.00 C ATOM 37 CG TYR A -5 -4.558 2.852 -34.602 1.00 20.00 C ATOM 38 CD1 TYR A -5 -3.857 2.633 -35.782 1.00 20.00 C ATOM 39 CD2 TYR A -5 -4.992 4.143 -34.328 1.00 20.00 C ATOM 40 CE1 TYR A -5 -3.598 3.666 -36.658 1.00 20.00 C ATOM 41 CE2 TYR A -5 -4.737 5.181 -35.203 1.00 20.00 C ATOM 42 CZ TYR A -5 -4.041 4.936 -36.365 1.00 20.00 C ATOM 43 OH TYR A -5 -3.795 5.963 -37.244 1.00 20.00 O ATOM 0 H TYR A -5 -6.513 1.371 -35.955 1.00 20.00 H new ATOM 0 HA TYR A -5 -6.075 -0.006 -33.377 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -4.905 2.112 -32.633 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -3.991 1.026 -33.660 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -3.510 1.638 -36.017 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -5.537 4.338 -33.416 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -3.050 3.480 -37.570 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -5.082 6.179 -34.977 1.00 20.00 H new ATOM 0 HH TYR A -5 -4.174 6.794 -36.890 1.00 20.00 H new ATOM 53 N LYS A -4 -8.506 1.288 -34.065 1.00 20.00 N ATOM 54 CA LYS A -4 -9.769 1.967 -33.797 1.00 20.00 C ATOM 55 C LYS A -4 -10.245 1.685 -32.376 1.00 20.00 C ATOM 56 O LYS A -4 -10.950 2.494 -31.775 1.00 20.00 O ATOM 57 CB LYS A -4 -10.841 1.521 -34.797 1.00 20.00 C ATOM 58 CG LYS A -4 -10.482 1.785 -36.255 1.00 20.00 C ATOM 59 CD LYS A -4 -10.381 3.271 -36.554 1.00 20.00 C ATOM 60 CE LYS A -4 -10.085 3.515 -38.026 1.00 20.00 C ATOM 61 NZ LYS A -4 -10.066 4.964 -38.365 1.00 20.00 N ATOM 0 H LYS A -4 -8.584 0.490 -34.696 1.00 20.00 H new ATOM 0 HA LYS A -4 -9.603 3.039 -33.906 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -11.023 0.454 -34.666 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -11.774 2.034 -34.565 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -9.533 1.303 -36.488 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -11.235 1.335 -36.902 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -11.314 3.764 -36.281 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -9.595 3.715 -35.943 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -9.122 3.072 -38.279 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -10.837 3.012 -38.634 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -9.861 5.081 -39.378 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -10.993 5.383 -38.149 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -9.331 5.442 -37.805 1.00 20.00 H new ATOM 75 N ASP A -3 -9.847 0.540 -31.840 1.00 20.00 N ATOM 76 CA ASP A -3 -10.249 0.141 -30.496 1.00 20.00 C ATOM 77 C ASP A -3 -9.172 0.507 -29.478 1.00 20.00 C ATOM 78 O ASP A -3 -8.979 -0.181 -28.477 1.00 20.00 O ATOM 79 CB ASP A -3 -10.545 -1.365 -30.444 1.00 20.00 C ATOM 80 CG ASP A -3 -9.338 -2.231 -30.746 1.00 20.00 C ATOM 81 OD1 ASP A -3 -8.914 -2.279 -31.922 1.00 20.00 O ATOM 82 OD2 ASP A -3 -8.822 -2.887 -29.816 1.00 20.00 O ATOM 0 H ASP A -3 -9.244 -0.132 -32.316 1.00 20.00 H new ATOM 0 HA ASP A -3 -11.161 0.681 -30.241 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -10.925 -1.618 -29.454 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -11.336 -1.596 -31.158 1.00 20.00 H new ATOM 87 N ASP A -2 -8.483 1.609 -29.738 1.00 20.00 N ATOM 88 CA ASP A -2 -7.391 2.055 -28.879 1.00 20.00 C ATOM 89 C ASP A -2 -7.920 2.600 -27.557 1.00 20.00 C ATOM 90 O ASP A -2 -7.448 2.225 -26.481 1.00 20.00 O ATOM 91 CB ASP A -2 -6.566 3.133 -29.586 1.00 20.00 C ATOM 92 CG ASP A -2 -5.333 3.535 -28.802 1.00 20.00 C ATOM 93 OD1 ASP A -2 -5.452 4.358 -27.876 1.00 20.00 O ATOM 94 OD2 ASP A -2 -4.230 3.039 -29.123 1.00 20.00 O ATOM 0 H ASP A -2 -8.661 2.214 -30.540 1.00 20.00 H new ATOM 0 HA ASP A -2 -6.757 1.193 -28.670 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -6.264 2.768 -30.568 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -7.189 4.012 -29.751 1.00 20.00 H new ATOM 99 N ASP A -1 -8.913 3.472 -27.643 1.00 20.00 N ATOM 100 CA ASP A -1 -9.440 4.149 -26.463 1.00 20.00 C ATOM 101 C ASP A -1 -10.324 3.222 -25.635 1.00 20.00 C ATOM 102 O ASP A -1 -10.210 3.182 -24.409 1.00 20.00 O ATOM 103 CB ASP A -1 -10.232 5.393 -26.866 1.00 20.00 C ATOM 104 CG ASP A -1 -10.714 6.183 -25.665 1.00 20.00 C ATOM 105 OD1 ASP A -1 -9.900 6.921 -25.071 1.00 20.00 O ATOM 106 OD2 ASP A -1 -11.905 6.080 -25.310 1.00 20.00 O ATOM 0 H ASP A -1 -9.372 3.729 -28.517 1.00 20.00 H new ATOM 0 HA ASP A -1 -8.589 4.447 -25.851 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -9.608 6.031 -27.491 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -11.089 5.095 -27.470 1.00 20.00 H new ATOM 111 N ASP A 0 -11.193 2.470 -26.306 1.00 20.00 N ATOM 112 CA ASP A 0 -12.123 1.572 -25.616 1.00 20.00 C ATOM 113 C ASP A 0 -11.407 0.346 -25.070 1.00 20.00 C ATOM 114 O ASP A 0 -11.994 -0.453 -24.339 1.00 20.00 O ATOM 115 CB ASP A 0 -13.274 1.139 -26.535 1.00 20.00 C ATOM 116 CG ASP A 0 -12.815 0.349 -27.744 1.00 20.00 C ATOM 117 OD1 ASP A 0 -12.572 -0.872 -27.618 1.00 20.00 O ATOM 118 OD2 ASP A 0 -12.714 0.945 -28.837 1.00 20.00 O ATOM 0 H ASP A 0 -11.275 2.462 -27.323 1.00 20.00 H new ATOM 0 HA ASP A 0 -12.542 2.131 -24.779 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -13.979 0.536 -25.963 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -13.813 2.025 -26.872 1.00 20.00 H new ATOM 123 N LYS A 1 -10.138 0.198 -25.427 1.00 20.00 N ATOM 124 CA LYS A 1 -9.312 -0.859 -24.867 1.00 20.00 C ATOM 125 C LYS A 1 -9.079 -0.592 -23.383 1.00 20.00 C ATOM 126 O LYS A 1 -8.936 -1.519 -22.584 1.00 20.00 O ATOM 127 CB LYS A 1 -7.971 -0.954 -25.610 1.00 20.00 C ATOM 128 CG LYS A 1 -7.039 -2.030 -25.069 1.00 20.00 C ATOM 129 CD LYS A 1 -7.587 -3.427 -25.307 1.00 20.00 C ATOM 130 CE LYS A 1 -6.755 -4.484 -24.592 1.00 20.00 C ATOM 131 NZ LYS A 1 -5.317 -4.424 -24.972 1.00 20.00 N ATOM 0 H LYS A 1 -9.660 0.796 -26.101 1.00 20.00 H new ATOM 0 HA LYS A 1 -9.830 -1.811 -24.984 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -8.165 -1.152 -26.664 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -7.467 0.011 -25.554 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -6.063 -1.937 -25.545 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -6.889 -1.876 -24.000 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -8.619 -3.478 -24.959 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -7.601 -3.636 -26.377 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -6.850 -4.350 -23.514 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -7.149 -5.473 -24.826 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -4.820 -5.251 -24.583 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -5.231 -4.425 -26.008 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -4.893 -3.554 -24.591 1.00 20.00 H new ATOM 145 N ASN A 2 -9.070 0.686 -23.019 1.00 20.00 N ATOM 146 CA ASN A 2 -8.907 1.083 -21.629 1.00 20.00 C ATOM 147 C ASN A 2 -10.279 1.323 -21.013 1.00 20.00 C ATOM 148 O ASN A 2 -10.673 2.462 -20.741 1.00 20.00 O ATOM 149 CB ASN A 2 -8.040 2.343 -21.517 1.00 20.00 C ATOM 150 CG ASN A 2 -7.567 2.609 -20.092 1.00 20.00 C ATOM 151 OD1 ASN A 2 -8.227 2.246 -19.116 1.00 20.00 O ATOM 152 ND2 ASN A 2 -6.416 3.250 -19.964 1.00 20.00 N ATOM 0 H ASN A 2 -9.174 1.464 -23.670 1.00 20.00 H new ATOM 0 HA ASN A 2 -8.400 0.284 -21.088 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -7.173 2.241 -22.170 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -8.608 3.202 -21.873 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -6.049 3.458 -19.035 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -5.896 3.536 -20.794 1.00 20.00 H new ATOM 159 N ARG A 3 -11.008 0.238 -20.815 1.00 20.00 N ATOM 160 CA ARG A 3 -12.348 0.297 -20.257 1.00 20.00 C ATOM 161 C ARG A 3 -12.337 -0.134 -18.797 1.00 20.00 C ATOM 162 O ARG A 3 -13.387 -0.328 -18.184 1.00 20.00 O ATOM 163 CB ARG A 3 -13.300 -0.587 -21.072 1.00 20.00 C ATOM 164 CG ARG A 3 -12.862 -2.040 -21.159 1.00 20.00 C ATOM 165 CD ARG A 3 -13.784 -2.846 -22.056 1.00 20.00 C ATOM 166 NE ARG A 3 -13.344 -4.235 -22.189 1.00 20.00 N ATOM 167 CZ ARG A 3 -13.983 -5.152 -22.914 1.00 20.00 C ATOM 168 NH1 ARG A 3 -15.095 -4.832 -23.568 1.00 20.00 N ATOM 169 NH2 ARG A 3 -13.506 -6.389 -22.990 1.00 20.00 N ATOM 0 H ARG A 3 -10.689 -0.705 -21.036 1.00 20.00 H new ATOM 0 HA ARG A 3 -12.701 1.327 -20.307 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -14.294 -0.543 -20.626 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -13.384 -0.181 -22.080 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -11.843 -2.092 -21.542 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -12.850 -2.478 -20.161 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -14.795 -2.824 -21.650 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -13.826 -2.383 -23.042 1.00 20.00 H new ATOM 0 HE ARG A 3 -12.497 -4.518 -21.697 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -15.462 -3.882 -23.516 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -15.582 -5.537 -24.122 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -12.650 -6.637 -22.493 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -13.995 -7.091 -23.545 1.00 20.00 H new ATOM 183 N ALA A 4 -11.139 -0.272 -18.248 1.00 20.00 N ATOM 184 CA ALA A 4 -10.971 -0.664 -16.857 1.00 20.00 C ATOM 185 C ALA A 4 -11.063 0.552 -15.942 1.00 20.00 C ATOM 186 O ALA A 4 -10.047 1.094 -15.501 1.00 20.00 O ATOM 187 CB ALA A 4 -9.640 -1.375 -16.666 1.00 20.00 C ATOM 0 H ALA A 4 -10.264 -0.117 -18.749 1.00 20.00 H new ATOM 0 HA ALA A 4 -11.774 -1.352 -16.593 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -9.528 -1.663 -15.621 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -9.610 -2.266 -17.293 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -8.827 -0.706 -16.948 1.00 20.00 H new ATOM 193 N LEU A 5 -12.282 0.997 -15.690 1.00 20.00 N ATOM 194 CA LEU A 5 -12.518 2.116 -14.788 1.00 20.00 C ATOM 195 C LEU A 5 -13.134 1.612 -13.488 1.00 20.00 C ATOM 196 O LEU A 5 -13.877 0.627 -13.487 1.00 20.00 O ATOM 197 CB LEU A 5 -13.445 3.164 -15.434 1.00 20.00 C ATOM 198 CG LEU A 5 -14.937 2.798 -15.511 1.00 20.00 C ATOM 199 CD1 LEU A 5 -15.771 4.039 -15.782 1.00 20.00 C ATOM 200 CD2 LEU A 5 -15.198 1.758 -16.591 1.00 20.00 C ATOM 0 H LEU A 5 -13.128 0.600 -16.098 1.00 20.00 H new ATOM 0 HA LEU A 5 -11.560 2.592 -14.577 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -13.349 4.096 -14.876 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -13.088 3.360 -16.445 1.00 20.00 H new ATOM 0 HG LEU A 5 -15.223 2.372 -14.549 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -16.825 3.765 -15.834 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -15.623 4.760 -14.978 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -15.465 4.484 -16.729 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -16.262 1.522 -16.619 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -14.888 2.153 -17.559 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -14.631 0.854 -16.370 1.00 20.00 H new ATOM 212 N SER A 6 -12.812 2.270 -12.387 1.00 20.00 N ATOM 213 CA SER A 6 -13.390 1.916 -11.103 1.00 20.00 C ATOM 214 C SER A 6 -14.742 2.606 -10.945 1.00 20.00 C ATOM 215 O SER A 6 -14.826 3.836 -10.998 1.00 20.00 O ATOM 216 CB SER A 6 -12.448 2.312 -9.960 1.00 20.00 C ATOM 217 OG SER A 6 -12.891 1.786 -8.720 1.00 20.00 O ATOM 0 H SER A 6 -12.155 3.050 -12.357 1.00 20.00 H new ATOM 0 HA SER A 6 -13.533 0.836 -11.063 1.00 20.00 H new ATOM 0 HB2 SER A 6 -11.442 1.949 -10.173 1.00 20.00 H new ATOM 0 HB3 SER A 6 -12.388 3.398 -9.896 1.00 20.00 H new ATOM 0 HG SER A 6 -12.270 2.053 -8.011 1.00 20.00 H new ATOM 223 N PRO A 7 -15.821 1.825 -10.776 1.00 20.00 N ATOM 224 CA PRO A 7 -17.169 2.370 -10.622 1.00 20.00 C ATOM 225 C PRO A 7 -17.351 3.057 -9.272 1.00 20.00 C ATOM 226 O PRO A 7 -17.706 2.424 -8.277 1.00 20.00 O ATOM 227 CB PRO A 7 -18.073 1.139 -10.734 1.00 20.00 C ATOM 228 CG PRO A 7 -17.214 -0.007 -10.320 1.00 20.00 C ATOM 229 CD PRO A 7 -15.808 0.350 -10.720 1.00 20.00 C ATOM 0 HA PRO A 7 -17.393 3.135 -11.366 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -18.947 1.231 -10.089 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -18.440 1.010 -11.752 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -17.281 -0.174 -9.245 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -17.534 -0.928 -10.807 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -15.081 -0.016 -9.995 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -15.544 -0.085 -11.684 1.00 20.00 H new ATOM 237 N MET A 8 -17.107 4.357 -9.245 1.00 20.00 N ATOM 238 CA MET A 8 -17.201 5.125 -8.011 1.00 20.00 C ATOM 239 C MET A 8 -18.617 5.655 -7.808 1.00 20.00 C ATOM 240 O MET A 8 -18.829 6.844 -7.567 1.00 20.00 O ATOM 241 CB MET A 8 -16.183 6.274 -7.999 1.00 20.00 C ATOM 242 CG MET A 8 -16.247 7.186 -9.216 1.00 20.00 C ATOM 243 SD MET A 8 -15.209 8.653 -9.043 1.00 20.00 S ATOM 244 CE MET A 8 -13.614 7.909 -8.707 1.00 20.00 C ATOM 0 H MET A 8 -16.842 4.905 -10.064 1.00 20.00 H new ATOM 0 HA MET A 8 -16.966 4.458 -7.182 1.00 20.00 H new ATOM 0 HB2 MET A 8 -16.341 6.874 -7.103 1.00 20.00 H new ATOM 0 HB3 MET A 8 -15.180 5.853 -7.928 1.00 20.00 H new ATOM 0 HG2 MET A 8 -15.936 6.628 -10.100 1.00 20.00 H new ATOM 0 HG3 MET A 8 -17.280 7.494 -9.380 1.00 20.00 H new ATOM 0 HE1 MET A 8 -12.828 8.650 -8.856 1.00 20.00 H new ATOM 0 HE2 MET A 8 -13.588 7.555 -7.677 1.00 20.00 H new ATOM 0 HE3 MET A 8 -13.454 7.069 -9.384 1.00 20.00 H new ATOM 254 N VAL A 9 -19.585 4.757 -7.906 1.00 20.00 N ATOM 255 CA VAL A 9 -20.977 5.106 -7.682 1.00 20.00 C ATOM 256 C VAL A 9 -21.315 4.906 -6.211 1.00 20.00 C ATOM 257 O VAL A 9 -21.397 3.773 -5.736 1.00 20.00 O ATOM 258 CB VAL A 9 -21.930 4.254 -8.548 1.00 20.00 C ATOM 259 CG1 VAL A 9 -23.373 4.710 -8.376 1.00 20.00 C ATOM 260 CG2 VAL A 9 -21.520 4.308 -10.014 1.00 20.00 C ATOM 0 H VAL A 9 -19.430 3.777 -8.140 1.00 20.00 H new ATOM 0 HA VAL A 9 -21.112 6.150 -7.966 1.00 20.00 H new ATOM 0 HB VAL A 9 -21.859 3.220 -8.211 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -24.025 4.095 -8.996 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -23.664 4.609 -7.331 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -23.463 5.753 -8.678 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -22.205 3.701 -10.606 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -21.555 5.340 -10.364 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -20.506 3.922 -10.123 1.00 20.00 H new ATOM 270 N SER A 10 -21.477 6.001 -5.486 1.00 20.00 N ATOM 271 CA SER A 10 -21.733 5.927 -4.056 1.00 20.00 C ATOM 272 C SER A 10 -22.766 6.960 -3.608 1.00 20.00 C ATOM 273 O SER A 10 -23.245 6.917 -2.474 1.00 20.00 O ATOM 274 CB SER A 10 -20.421 6.117 -3.288 1.00 20.00 C ATOM 275 OG SER A 10 -19.739 7.284 -3.722 1.00 20.00 O ATOM 0 H SER A 10 -21.436 6.948 -5.862 1.00 20.00 H new ATOM 0 HA SER A 10 -22.145 4.942 -3.838 1.00 20.00 H new ATOM 0 HB2 SER A 10 -20.628 6.189 -2.220 1.00 20.00 H new ATOM 0 HB3 SER A 10 -19.783 5.245 -3.431 1.00 20.00 H new ATOM 0 HG SER A 10 -18.906 7.384 -3.215 1.00 20.00 H new ATOM 281 N GLU A 11 -23.113 7.887 -4.492 1.00 20.00 N ATOM 282 CA GLU A 11 -24.098 8.903 -4.165 1.00 20.00 C ATOM 283 C GLU A 11 -25.500 8.407 -4.485 1.00 20.00 C ATOM 284 O GLU A 11 -25.759 7.930 -5.595 1.00 20.00 O ATOM 285 CB GLU A 11 -23.815 10.211 -4.909 1.00 20.00 C ATOM 286 CG GLU A 11 -22.527 10.890 -4.475 1.00 20.00 C ATOM 287 CD GLU A 11 -22.427 12.316 -4.974 1.00 20.00 C ATOM 288 OE1 GLU A 11 -22.946 13.225 -4.291 1.00 20.00 O ATOM 289 OE2 GLU A 11 -21.832 12.540 -6.050 1.00 20.00 O ATOM 0 H GLU A 11 -22.728 7.954 -5.434 1.00 20.00 H new ATOM 0 HA GLU A 11 -24.030 9.102 -3.095 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -23.766 10.008 -5.979 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -24.648 10.896 -4.752 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -22.466 10.884 -3.387 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -21.676 10.318 -4.845 1.00 20.00 H new ATOM 296 N PHE A 12 -26.387 8.510 -3.491 1.00 20.00 N ATOM 297 CA PHE A 12 -27.769 8.044 -3.600 1.00 20.00 C ATOM 298 C PHE A 12 -27.804 6.514 -3.687 1.00 20.00 C ATOM 299 O PHE A 12 -26.762 5.874 -3.852 1.00 20.00 O ATOM 300 CB PHE A 12 -28.464 8.690 -4.806 1.00 20.00 C ATOM 301 CG PHE A 12 -29.969 8.600 -4.773 1.00 20.00 C ATOM 302 CD1 PHE A 12 -30.694 9.304 -3.824 1.00 20.00 C ATOM 303 CD2 PHE A 12 -30.659 7.815 -5.688 1.00 20.00 C ATOM 304 CE1 PHE A 12 -32.074 9.229 -3.787 1.00 20.00 C ATOM 305 CE2 PHE A 12 -32.038 7.738 -5.654 1.00 20.00 C ATOM 306 CZ PHE A 12 -32.746 8.443 -4.701 1.00 20.00 C ATOM 0 H PHE A 12 -26.164 8.921 -2.585 1.00 20.00 H new ATOM 0 HA PHE A 12 -28.315 8.345 -2.706 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -28.175 9.740 -4.858 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -28.103 8.214 -5.717 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -30.174 9.919 -3.104 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -30.111 7.259 -6.434 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -32.626 9.785 -3.043 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -32.562 7.126 -6.373 1.00 20.00 H new ATOM 0 HZ PHE A 12 -33.824 8.379 -4.671 1.00 20.00 H new ATOM 316 N GLU A 13 -28.995 5.932 -3.536 1.00 20.00 N ATOM 317 CA GLU A 13 -29.166 4.477 -3.583 1.00 20.00 C ATOM 318 C GLU A 13 -28.450 3.808 -2.413 1.00 20.00 C ATOM 319 O GLU A 13 -28.168 2.610 -2.446 1.00 20.00 O ATOM 320 CB GLU A 13 -28.645 3.910 -4.907 1.00 20.00 C ATOM 321 CG GLU A 13 -29.447 4.347 -6.123 1.00 20.00 C ATOM 322 CD GLU A 13 -28.787 3.946 -7.425 1.00 20.00 C ATOM 323 OE1 GLU A 13 -28.780 2.739 -7.750 1.00 20.00 O ATOM 324 OE2 GLU A 13 -28.264 4.839 -8.128 1.00 20.00 O ATOM 0 H GLU A 13 -29.860 6.449 -3.379 1.00 20.00 H new ATOM 0 HA GLU A 13 -30.232 4.265 -3.507 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -27.607 4.217 -5.039 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -28.651 2.821 -4.852 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -30.444 3.908 -6.074 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -29.574 5.429 -6.101 1.00 20.00 H new ATOM 331 N THR A 14 -28.171 4.587 -1.380 1.00 20.00 N ATOM 332 CA THR A 14 -27.448 4.099 -0.219 1.00 20.00 C ATOM 333 C THR A 14 -28.386 3.420 0.770 1.00 20.00 C ATOM 334 O THR A 14 -29.585 3.287 0.501 1.00 20.00 O ATOM 335 CB THR A 14 -26.702 5.249 0.480 1.00 20.00 C ATOM 336 OG1 THR A 14 -27.563 6.389 0.590 1.00 20.00 O ATOM 337 CG2 THR A 14 -25.445 5.624 -0.287 1.00 20.00 C ATOM 0 H THR A 14 -28.438 5.570 -1.324 1.00 20.00 H new ATOM 0 HA THR A 14 -26.723 3.364 -0.570 1.00 20.00 H new ATOM 0 HB THR A 14 -26.410 4.916 1.476 1.00 20.00 H new ATOM 0 HG1 THR A 14 -27.085 7.118 1.037 1.00 20.00 H new ATOM 0 HG21 THR A 14 -24.935 6.439 0.227 1.00 20.00 H new ATOM 0 HG22 THR A 14 -24.783 4.760 -0.344 1.00 20.00 H new ATOM 0 HG23 THR A 14 -25.715 5.942 -1.294 1.00 20.00 H new ATOM 345 N ILE A 15 -27.828 2.975 1.900 1.00 20.00 N ATOM 346 CA ILE A 15 -28.594 2.315 2.966 1.00 20.00 C ATOM 347 C ILE A 15 -28.947 0.879 2.578 1.00 20.00 C ATOM 348 O ILE A 15 -28.827 -0.048 3.382 1.00 20.00 O ATOM 349 CB ILE A 15 -29.885 3.094 3.315 1.00 20.00 C ATOM 350 CG1 ILE A 15 -29.559 4.535 3.727 1.00 20.00 C ATOM 351 CG2 ILE A 15 -30.660 2.389 4.416 1.00 20.00 C ATOM 352 CD1 ILE A 15 -28.662 4.649 4.940 1.00 20.00 C ATOM 0 H ILE A 15 -26.832 3.061 2.103 1.00 20.00 H new ATOM 0 HA ILE A 15 -27.956 2.299 3.850 1.00 20.00 H new ATOM 0 HB ILE A 15 -30.509 3.126 2.422 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -29.081 5.041 2.888 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -30.491 5.062 3.928 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -31.563 2.955 4.645 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -30.933 1.387 4.084 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -30.040 2.319 5.310 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -28.482 5.701 5.162 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -29.144 4.175 5.795 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -27.712 4.153 4.738 1.00 20.00 H new ATOM 364 N GLU A 16 -29.355 0.702 1.330 1.00 20.00 N ATOM 365 CA GLU A 16 -29.748 -0.600 0.816 1.00 20.00 C ATOM 366 C GLU A 16 -28.575 -1.579 0.797 1.00 20.00 C ATOM 367 O GLU A 16 -28.774 -2.786 0.730 1.00 20.00 O ATOM 368 CB GLU A 16 -30.333 -0.455 -0.586 1.00 20.00 C ATOM 369 CG GLU A 16 -31.630 0.338 -0.625 1.00 20.00 C ATOM 370 CD GLU A 16 -32.700 -0.248 0.272 1.00 20.00 C ATOM 371 OE1 GLU A 16 -33.379 -1.210 -0.144 1.00 20.00 O ATOM 372 OE2 GLU A 16 -32.871 0.250 1.403 1.00 20.00 O ATOM 0 H GLU A 16 -29.423 1.456 0.647 1.00 20.00 H new ATOM 0 HA GLU A 16 -30.507 -1.005 1.485 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -29.599 0.032 -1.228 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.511 -1.447 -1.001 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -31.432 1.366 -0.323 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.999 0.372 -1.650 1.00 20.00 H new ATOM 379 N GLN A 17 -27.354 -1.063 0.853 1.00 20.00 N ATOM 380 CA GLN A 17 -26.173 -1.920 0.919 1.00 20.00 C ATOM 381 C GLN A 17 -26.089 -2.599 2.282 1.00 20.00 C ATOM 382 O GLN A 17 -25.554 -3.699 2.409 1.00 20.00 O ATOM 383 CB GLN A 17 -24.880 -1.126 0.677 1.00 20.00 C ATOM 384 CG GLN A 17 -24.758 -0.496 -0.707 1.00 20.00 C ATOM 385 CD GLN A 17 -25.691 0.681 -0.909 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.053 1.372 0.044 1.00 20.00 O ATOM 387 NE2 GLN A 17 -26.079 0.928 -2.148 1.00 20.00 N ATOM 0 H GLN A 17 -27.154 -0.063 0.854 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.273 -2.669 0.133 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -24.811 -0.337 1.426 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -24.030 -1.790 0.834 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -23.730 -0.168 -0.861 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.968 -1.252 -1.464 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -25.758 0.333 -2.911 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -26.700 1.714 -2.341 1.00 20.00 H new ATOM 396 N GLU A 18 -26.645 -1.946 3.293 1.00 20.00 N ATOM 397 CA GLU A 18 -26.507 -2.405 4.668 1.00 20.00 C ATOM 398 C GLU A 18 -27.578 -3.430 5.025 1.00 20.00 C ATOM 399 O GLU A 18 -27.319 -4.366 5.782 1.00 20.00 O ATOM 400 CB GLU A 18 -26.570 -1.218 5.630 1.00 20.00 C ATOM 401 CG GLU A 18 -25.470 -0.191 5.406 1.00 20.00 C ATOM 402 CD GLU A 18 -25.593 1.000 6.328 1.00 20.00 C ATOM 403 OE1 GLU A 18 -25.024 0.959 7.438 1.00 20.00 O ATOM 404 OE2 GLU A 18 -26.263 1.983 5.948 1.00 20.00 O ATOM 0 H GLU A 18 -27.197 -1.095 3.186 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.536 -2.891 4.762 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.538 -0.729 5.526 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -26.507 -1.587 6.654 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -24.500 -0.664 5.557 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.501 0.150 4.371 1.00 20.00 H new ATOM 411 N ASN A 19 -28.775 -3.264 4.483 1.00 20.00 N ATOM 412 CA ASN A 19 -29.854 -4.201 4.771 1.00 20.00 C ATOM 413 C ASN A 19 -29.705 -5.477 3.947 1.00 20.00 C ATOM 414 O ASN A 19 -30.011 -6.569 4.429 1.00 20.00 O ATOM 415 CB ASN A 19 -31.239 -3.552 4.580 1.00 20.00 C ATOM 416 CG ASN A 19 -31.447 -2.890 3.226 1.00 20.00 C ATOM 417 OD1 ASN A 19 -30.939 -3.338 2.206 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.203 -1.805 3.216 1.00 20.00 N ATOM 0 H ASN A 19 -29.023 -2.503 3.851 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.780 -4.479 5.822 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -32.005 -4.315 4.718 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.387 -2.806 5.361 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.379 -1.314 2.339 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.611 -1.459 4.085 1.00 20.00 H new ATOM 425 N SER A 20 -29.188 -5.347 2.728 1.00 20.00 N ATOM 426 CA SER A 20 -28.928 -6.509 1.887 1.00 20.00 C ATOM 427 C SER A 20 -27.668 -7.226 2.360 1.00 20.00 C ATOM 428 O SER A 20 -27.409 -8.370 1.988 1.00 20.00 O ATOM 429 CB SER A 20 -28.788 -6.095 0.419 1.00 20.00 C ATOM 430 OG SER A 20 -27.779 -5.113 0.254 1.00 20.00 O ATOM 0 H SER A 20 -28.942 -4.453 2.303 1.00 20.00 H new ATOM 0 HA SER A 20 -29.774 -7.192 1.969 1.00 20.00 H new ATOM 0 HB2 SER A 20 -28.550 -6.970 -0.186 1.00 20.00 H new ATOM 0 HB3 SER A 20 -29.740 -5.706 0.056 1.00 20.00 H new ATOM 0 HG SER A 20 -28.195 -4.237 0.115 1.00 20.00 H new ATOM 436 N TYR A 21 -26.906 -6.543 3.204 1.00 20.00 N ATOM 437 CA TYR A 21 -25.695 -7.103 3.790 1.00 20.00 C ATOM 438 C TYR A 21 -26.026 -8.348 4.610 1.00 20.00 C ATOM 439 O TYR A 21 -25.213 -9.266 4.722 1.00 20.00 O ATOM 440 CB TYR A 21 -25.002 -6.050 4.661 1.00 20.00 C ATOM 441 CG TYR A 21 -23.795 -6.558 5.419 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.597 -6.818 4.766 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.857 -6.779 6.790 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.495 -7.280 5.458 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.761 -7.241 7.487 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.583 -7.489 6.819 1.00 20.00 C ATOM 447 OH TYR A 21 -20.491 -7.953 7.512 1.00 20.00 O ATOM 0 H TYR A 21 -27.109 -5.588 3.501 1.00 20.00 H new ATOM 0 HA TYR A 21 -25.016 -7.395 2.989 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.694 -5.218 4.027 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.724 -5.655 5.376 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.526 -6.656 3.701 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.779 -6.586 7.318 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.570 -7.477 4.937 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.826 -7.408 8.552 1.00 20.00 H new ATOM 0 HH TYR A 21 -20.720 -8.045 8.460 1.00 20.00 H new ATOM 457 N ASN A 22 -27.233 -8.383 5.166 1.00 20.00 N ATOM 458 CA ASN A 22 -27.690 -9.548 5.917 1.00 20.00 C ATOM 459 C ASN A 22 -27.845 -10.744 4.988 1.00 20.00 C ATOM 460 O ASN A 22 -27.556 -11.881 5.363 1.00 20.00 O ATOM 461 CB ASN A 22 -29.019 -9.268 6.627 1.00 20.00 C ATOM 462 CG ASN A 22 -28.898 -8.206 7.703 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.542 -8.503 8.846 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.216 -6.967 7.358 1.00 20.00 N ATOM 0 H ASN A 22 -27.910 -7.622 5.111 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.939 -9.772 6.675 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -29.759 -8.951 5.892 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.389 -10.191 7.074 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.171 -6.218 8.049 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.506 -6.762 6.402 1.00 20.00 H new ATOM 471 N GLU A 23 -28.285 -10.479 3.764 1.00 20.00 N ATOM 472 CA GLU A 23 -28.437 -11.529 2.773 1.00 20.00 C ATOM 473 C GLU A 23 -27.076 -11.912 2.208 1.00 20.00 C ATOM 474 O GLU A 23 -26.840 -13.070 1.868 1.00 20.00 O ATOM 475 CB GLU A 23 -29.383 -11.093 1.652 1.00 20.00 C ATOM 476 CG GLU A 23 -30.810 -10.857 2.123 1.00 20.00 C ATOM 477 CD GLU A 23 -31.780 -10.683 0.975 1.00 20.00 C ATOM 478 OE1 GLU A 23 -32.180 -11.701 0.371 1.00 20.00 O ATOM 479 OE2 GLU A 23 -32.149 -9.532 0.672 1.00 20.00 O ATOM 0 H GLU A 23 -28.541 -9.547 3.437 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.875 -12.401 3.258 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.001 -10.177 1.200 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.387 -11.855 0.873 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -31.129 -11.698 2.739 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.838 -9.970 2.755 1.00 20.00 H new ATOM 486 N TRP A 24 -26.184 -10.932 2.123 1.00 20.00 N ATOM 487 CA TRP A 24 -24.805 -11.174 1.716 1.00 20.00 C ATOM 488 C TRP A 24 -24.112 -12.100 2.713 1.00 20.00 C ATOM 489 O TRP A 24 -23.340 -12.981 2.332 1.00 20.00 O ATOM 490 CB TRP A 24 -24.049 -9.847 1.594 1.00 20.00 C ATOM 491 CG TRP A 24 -22.584 -10.008 1.323 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.559 -9.714 2.176 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.980 -10.508 0.125 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.356 -9.993 1.578 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.586 -10.485 0.321 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.479 -10.974 -1.095 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.688 -10.910 -0.654 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -21.587 -11.396 -2.061 1.00 20.00 C ATOM 499 CH2 TRP A 24 -20.205 -11.361 -1.838 1.00 20.00 C ATOM 0 H TRP A 24 -26.393 -9.956 2.332 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.807 -11.661 0.741 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.495 -9.258 0.792 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -24.178 -9.280 2.516 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.678 -9.320 3.174 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.438 -9.856 2.002 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.543 -11.003 -1.279 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.622 -10.885 -0.482 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -21.962 -11.760 -3.006 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -19.534 -11.696 -2.615 1.00 20.00 H new ATOM 510 N LEU A 25 -24.405 -11.899 3.992 1.00 20.00 N ATOM 511 CA LEU A 25 -23.889 -12.765 5.042 1.00 20.00 C ATOM 512 C LEU A 25 -24.426 -14.180 4.833 1.00 20.00 C ATOM 513 O LEU A 25 -23.674 -15.156 4.874 1.00 20.00 O ATOM 514 CB LEU A 25 -24.293 -12.204 6.421 1.00 20.00 C ATOM 515 CG LEU A 25 -23.583 -12.798 7.653 1.00 20.00 C ATOM 516 CD1 LEU A 25 -24.118 -14.182 7.992 1.00 20.00 C ATOM 517 CD2 LEU A 25 -22.077 -12.848 7.437 1.00 20.00 C ATOM 0 H LEU A 25 -24.999 -11.141 4.327 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.800 -12.802 5.002 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.117 -11.128 6.414 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.366 -12.350 6.545 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.791 -12.143 8.499 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.595 -14.570 8.866 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -25.185 -14.117 8.207 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.958 -14.851 7.146 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.597 -13.271 8.319 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.854 -13.470 6.570 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.700 -11.839 7.267 1.00 20.00 H new ATOM 529 N ARG A 26 -25.726 -14.274 4.570 1.00 20.00 N ATOM 530 CA ARG A 26 -26.372 -15.555 4.290 1.00 20.00 C ATOM 531 C ARG A 26 -25.731 -16.226 3.077 1.00 20.00 C ATOM 532 O ARG A 26 -25.581 -17.448 3.035 1.00 20.00 O ATOM 533 CB ARG A 26 -27.867 -15.342 4.036 1.00 20.00 C ATOM 534 CG ARG A 26 -28.645 -16.627 3.788 1.00 20.00 C ATOM 535 CD ARG A 26 -30.070 -16.331 3.341 1.00 20.00 C ATOM 536 NE ARG A 26 -30.099 -15.611 2.068 1.00 20.00 N ATOM 537 CZ ARG A 26 -30.944 -14.618 1.785 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.859 -14.244 2.669 1.00 20.00 N ATOM 539 NH2 ARG A 26 -30.878 -14.010 0.609 1.00 20.00 N ATOM 0 H ARG A 26 -26.357 -13.473 4.545 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.243 -16.204 5.156 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.300 -14.827 4.893 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.988 -14.685 3.175 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.138 -17.221 3.027 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.664 -17.225 4.699 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.622 -17.266 3.243 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.576 -15.740 4.105 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.429 -15.886 1.350 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.920 -14.716 3.571 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.502 -13.484 2.447 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.182 -14.302 -0.078 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -31.523 -13.251 0.391 1.00 20.00 H new ATOM 553 N ALA A 27 -25.347 -15.413 2.100 1.00 20.00 N ATOM 554 CA ALA A 27 -24.724 -15.902 0.877 1.00 20.00 C ATOM 555 C ALA A 27 -23.384 -16.553 1.168 1.00 20.00 C ATOM 556 O ALA A 27 -23.085 -17.632 0.663 1.00 20.00 O ATOM 557 CB ALA A 27 -24.548 -14.766 -0.117 1.00 20.00 C ATOM 0 H ALA A 27 -25.458 -14.400 2.133 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.381 -16.655 0.443 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.081 -15.147 -1.026 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.522 -14.341 -0.360 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.914 -13.995 0.321 1.00 20.00 H new ATOM 563 N LYS A 28 -22.590 -15.900 1.999 1.00 20.00 N ATOM 564 CA LYS A 28 -21.258 -16.393 2.323 1.00 20.00 C ATOM 565 C LYS A 28 -21.332 -17.656 3.175 1.00 20.00 C ATOM 566 O LYS A 28 -20.486 -18.541 3.065 1.00 20.00 O ATOM 567 CB LYS A 28 -20.450 -15.318 3.055 1.00 20.00 C ATOM 568 CG LYS A 28 -20.174 -14.074 2.220 1.00 20.00 C ATOM 569 CD LYS A 28 -19.381 -13.037 3.003 1.00 20.00 C ATOM 570 CE LYS A 28 -17.995 -13.543 3.384 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.225 -12.523 4.141 1.00 20.00 N ATOM 0 H LYS A 28 -22.842 -15.027 2.463 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.757 -16.637 1.386 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.987 -15.026 3.957 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -19.500 -15.747 3.375 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.622 -14.353 1.322 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.118 -13.639 1.892 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.284 -12.130 2.407 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.929 -12.768 3.906 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.091 -14.447 3.986 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.447 -13.817 2.482 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.288 -12.904 4.382 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.112 -11.670 3.557 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.735 -12.280 5.014 1.00 20.00 H new ATOM 585 N VAL A 29 -22.353 -17.738 4.017 1.00 20.00 N ATOM 586 CA VAL A 29 -22.501 -18.863 4.927 1.00 20.00 C ATOM 587 C VAL A 29 -23.147 -20.069 4.247 1.00 20.00 C ATOM 588 O VAL A 29 -22.675 -21.197 4.396 1.00 20.00 O ATOM 589 CB VAL A 29 -23.324 -18.474 6.175 1.00 20.00 C ATOM 590 CG1 VAL A 29 -23.578 -19.682 7.067 1.00 20.00 C ATOM 591 CG2 VAL A 29 -22.611 -17.381 6.957 1.00 20.00 C ATOM 0 H VAL A 29 -23.091 -17.038 4.088 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.494 -19.141 5.237 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.289 -18.096 5.838 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -24.159 -19.376 7.937 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.131 -20.437 6.508 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -22.626 -20.099 7.395 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -23.202 -17.116 7.834 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -21.632 -17.740 7.274 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.488 -16.502 6.324 1.00 20.00 H new ATOM 601 N ALA A 30 -24.216 -19.839 3.497 1.00 20.00 N ATOM 602 CA ALA A 30 -24.988 -20.946 2.948 1.00 20.00 C ATOM 603 C ALA A 30 -25.443 -20.701 1.511 1.00 20.00 C ATOM 604 O ALA A 30 -25.293 -21.573 0.652 1.00 20.00 O ATOM 605 CB ALA A 30 -26.189 -21.224 3.837 1.00 20.00 C ATOM 0 H ALA A 30 -24.565 -18.911 3.257 1.00 20.00 H new ATOM 0 HA ALA A 30 -24.330 -21.815 2.924 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -26.764 -22.052 3.423 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -25.848 -21.484 4.839 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -26.818 -20.335 3.887 1.00 20.00 H new ATOM 611 N THR A 31 -25.994 -19.527 1.240 1.00 20.00 N ATOM 612 CA THR A 31 -26.588 -19.249 -0.062 1.00 20.00 C ATOM 613 C THR A 31 -25.523 -18.823 -1.078 1.00 20.00 C ATOM 614 O THR A 31 -25.565 -17.725 -1.637 1.00 20.00 O ATOM 615 CB THR A 31 -27.685 -18.171 0.057 1.00 20.00 C ATOM 616 OG1 THR A 31 -28.521 -18.467 1.185 1.00 20.00 O ATOM 617 CG2 THR A 31 -28.546 -18.118 -1.197 1.00 20.00 C ATOM 0 H THR A 31 -26.043 -18.752 1.902 1.00 20.00 H new ATOM 0 HA THR A 31 -27.047 -20.170 -0.422 1.00 20.00 H new ATOM 0 HB THR A 31 -27.199 -17.204 0.185 1.00 20.00 H new ATOM 0 HG1 THR A 31 -29.307 -17.881 1.173 1.00 20.00 H new ATOM 0 HG21 THR A 31 -29.310 -17.349 -1.082 1.00 20.00 H new ATOM 0 HG22 THR A 31 -27.921 -17.883 -2.058 1.00 20.00 H new ATOM 0 HG23 THR A 31 -29.025 -19.085 -1.350 1.00 20.00 H new ATOM 625 N SER A 32 -24.563 -19.705 -1.306 1.00 20.00 N ATOM 626 CA SER A 32 -23.506 -19.457 -2.268 1.00 20.00 C ATOM 627 C SER A 32 -23.680 -20.384 -3.464 1.00 20.00 C ATOM 628 O SER A 32 -23.260 -21.542 -3.434 1.00 20.00 O ATOM 629 CB SER A 32 -22.131 -19.668 -1.619 1.00 20.00 C ATOM 630 OG SER A 32 -21.077 -19.309 -2.500 1.00 20.00 O ATOM 0 H SER A 32 -24.496 -20.606 -0.832 1.00 20.00 H new ATOM 0 HA SER A 32 -23.566 -18.423 -2.607 1.00 20.00 H new ATOM 0 HB2 SER A 32 -22.063 -19.074 -0.708 1.00 20.00 H new ATOM 0 HB3 SER A 32 -22.022 -20.713 -1.327 1.00 20.00 H new ATOM 0 HG SER A 32 -20.216 -19.454 -2.056 1.00 20.00 H new ATOM 636 N LEU A 33 -24.322 -19.881 -4.508 1.00 20.00 N ATOM 637 CA LEU A 33 -24.552 -20.674 -5.707 1.00 20.00 C ATOM 638 C LEU A 33 -23.324 -20.615 -6.603 1.00 20.00 C ATOM 639 O LEU A 33 -23.050 -21.537 -7.373 1.00 20.00 O ATOM 640 CB LEU A 33 -25.789 -20.177 -6.480 1.00 20.00 C ATOM 641 CG LEU A 33 -27.146 -20.319 -5.766 1.00 20.00 C ATOM 642 CD1 LEU A 33 -27.324 -21.719 -5.196 1.00 20.00 C ATOM 643 CD2 LEU A 33 -27.309 -19.268 -4.677 1.00 20.00 C ATOM 0 H LEU A 33 -24.692 -18.931 -4.550 1.00 20.00 H new ATOM 0 HA LEU A 33 -24.737 -21.704 -5.403 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -25.640 -19.125 -6.723 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -25.842 -20.718 -7.425 1.00 20.00 H new ATOM 0 HG LEU A 33 -27.926 -20.156 -6.510 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -28.291 -21.789 -4.698 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -27.278 -22.449 -6.004 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -26.530 -21.923 -4.477 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -28.277 -19.394 -4.191 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -26.515 -19.382 -3.939 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -27.252 -18.274 -5.120 1.00 20.00 H new ATOM 655 N ALA A 34 -22.576 -19.533 -6.476 1.00 20.00 N ATOM 656 CA ALA A 34 -21.383 -19.326 -7.270 1.00 20.00 C ATOM 657 C ALA A 34 -20.198 -19.026 -6.364 1.00 20.00 C ATOM 658 O ALA A 34 -20.367 -18.500 -5.262 1.00 20.00 O ATOM 659 CB ALA A 34 -21.605 -18.186 -8.253 1.00 20.00 C ATOM 0 H ALA A 34 -22.779 -18.777 -5.822 1.00 20.00 H new ATOM 0 HA ALA A 34 -21.167 -20.234 -7.833 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -20.703 -18.037 -8.847 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -22.437 -18.431 -8.913 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -21.834 -17.272 -7.705 1.00 20.00 H new ATOM 665 N ASP A 35 -19.010 -19.384 -6.824 1.00 20.00 N ATOM 666 CA ASP A 35 -17.780 -19.089 -6.099 1.00 20.00 C ATOM 667 C ASP A 35 -17.483 -17.596 -6.196 1.00 20.00 C ATOM 668 O ASP A 35 -17.989 -16.924 -7.099 1.00 20.00 O ATOM 669 CB ASP A 35 -16.615 -19.906 -6.678 1.00 20.00 C ATOM 670 CG ASP A 35 -16.226 -19.474 -8.075 1.00 20.00 C ATOM 671 OD1 ASP A 35 -16.800 -20.007 -9.051 1.00 20.00 O ATOM 672 OD2 ASP A 35 -15.337 -18.610 -8.210 1.00 20.00 O ATOM 0 H ASP A 35 -18.869 -19.883 -7.702 1.00 20.00 H new ATOM 0 HA ASP A 35 -17.902 -19.362 -5.051 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -15.751 -19.812 -6.021 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -16.890 -20.961 -6.693 1.00 20.00 H new ATOM 677 N PRO A 36 -16.685 -17.048 -5.258 1.00 20.00 N ATOM 678 CA PRO A 36 -16.364 -15.611 -5.218 1.00 20.00 C ATOM 679 C PRO A 36 -15.454 -15.158 -6.364 1.00 20.00 C ATOM 680 O PRO A 36 -14.447 -14.481 -6.149 1.00 20.00 O ATOM 681 CB PRO A 36 -15.653 -15.442 -3.871 1.00 20.00 C ATOM 682 CG PRO A 36 -15.080 -16.783 -3.577 1.00 20.00 C ATOM 683 CD PRO A 36 -16.053 -17.778 -4.142 1.00 20.00 C ATOM 0 HA PRO A 36 -17.262 -15.002 -5.329 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -14.874 -14.682 -3.927 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -16.349 -15.129 -3.092 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -14.096 -16.896 -4.033 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -14.953 -16.927 -2.504 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -15.549 -18.681 -4.487 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -16.787 -18.088 -3.398 1.00 20.00 H new ATOM 691 N ARG A 37 -15.820 -15.539 -7.578 1.00 20.00 N ATOM 692 CA ARG A 37 -15.117 -15.110 -8.778 1.00 20.00 C ATOM 693 C ARG A 37 -15.365 -13.625 -9.076 1.00 20.00 C ATOM 694 O ARG A 37 -14.414 -12.898 -9.369 1.00 20.00 O ATOM 695 CB ARG A 37 -15.532 -15.964 -9.980 1.00 20.00 C ATOM 696 CG ARG A 37 -14.942 -15.480 -11.292 1.00 20.00 C ATOM 697 CD ARG A 37 -15.499 -16.247 -12.475 1.00 20.00 C ATOM 698 NE ARG A 37 -15.127 -15.626 -13.741 1.00 20.00 N ATOM 699 CZ ARG A 37 -15.325 -16.180 -14.932 1.00 20.00 C ATOM 700 NH1 ARG A 37 -15.892 -17.376 -15.031 1.00 20.00 N ATOM 701 NH2 ARG A 37 -14.959 -15.533 -16.028 1.00 20.00 N ATOM 0 H ARG A 37 -16.613 -16.154 -7.760 1.00 20.00 H new ATOM 0 HA ARG A 37 -14.050 -15.244 -8.598 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -15.222 -16.995 -9.809 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -16.619 -15.966 -10.057 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -15.152 -14.418 -11.416 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -13.858 -15.589 -11.266 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -15.131 -17.273 -12.450 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -16.585 -16.296 -12.399 1.00 20.00 H new ATOM 0 HE ARG A 37 -14.686 -14.707 -13.710 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -16.179 -17.876 -14.189 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -16.041 -17.795 -15.949 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -14.526 -14.612 -15.956 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -15.110 -15.956 -16.944 1.00 20.00 H new ATOM 715 N PRO A 38 -16.640 -13.145 -9.041 1.00 20.00 N ATOM 716 CA PRO A 38 -16.950 -11.719 -9.214 1.00 20.00 C ATOM 717 C PRO A 38 -16.109 -10.850 -8.288 1.00 20.00 C ATOM 718 O PRO A 38 -16.258 -10.893 -7.067 1.00 20.00 O ATOM 719 CB PRO A 38 -18.440 -11.608 -8.853 1.00 20.00 C ATOM 720 CG PRO A 38 -18.807 -12.922 -8.248 1.00 20.00 C ATOM 721 CD PRO A 38 -17.872 -13.927 -8.851 1.00 20.00 C ATOM 0 HA PRO A 38 -16.733 -11.374 -10.225 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -18.613 -10.792 -8.152 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -19.043 -11.402 -9.737 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -18.705 -12.895 -7.163 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -19.845 -13.175 -8.464 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -17.713 -14.780 -8.191 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -18.252 -14.320 -9.794 1.00 20.00 H new ATOM 729 N ALA A 39 -15.224 -10.068 -8.880 1.00 20.00 N ATOM 730 CA ALA A 39 -14.231 -9.327 -8.123 1.00 20.00 C ATOM 731 C ALA A 39 -14.752 -7.970 -7.670 1.00 20.00 C ATOM 732 O ALA A 39 -15.177 -7.147 -8.480 1.00 20.00 O ATOM 733 CB ALA A 39 -12.968 -9.162 -8.949 1.00 20.00 C ATOM 0 H ALA A 39 -15.173 -9.929 -9.889 1.00 20.00 H new ATOM 0 HA ALA A 39 -14.004 -9.900 -7.224 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -12.228 -8.605 -8.375 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -12.568 -10.144 -9.202 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -13.201 -8.618 -9.865 1.00 20.00 H new ATOM 739 N ILE A 40 -14.725 -7.755 -6.364 1.00 20.00 N ATOM 740 CA ILE A 40 -15.061 -6.461 -5.783 1.00 20.00 C ATOM 741 C ILE A 40 -13.816 -5.576 -5.751 1.00 20.00 C ATOM 742 O ILE A 40 -12.715 -6.083 -5.970 1.00 20.00 O ATOM 743 CB ILE A 40 -15.641 -6.614 -4.356 1.00 20.00 C ATOM 744 CG1 ILE A 40 -14.751 -7.520 -3.505 1.00 20.00 C ATOM 745 CG2 ILE A 40 -17.059 -7.155 -4.421 1.00 20.00 C ATOM 746 CD1 ILE A 40 -15.205 -7.642 -2.066 1.00 20.00 C ATOM 0 H ILE A 40 -14.471 -8.467 -5.679 1.00 20.00 H new ATOM 0 HA ILE A 40 -15.827 -5.996 -6.404 1.00 20.00 H new ATOM 0 HB ILE A 40 -15.668 -5.632 -3.884 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -14.724 -8.513 -3.954 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -13.732 -7.134 -3.524 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -17.456 -7.258 -3.411 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -17.685 -6.467 -4.988 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -17.055 -8.129 -4.910 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -14.525 -8.300 -1.525 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -15.205 -6.657 -1.600 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -16.212 -8.057 -2.036 1.00 20.00 H new ATOM 758 N PRO A 41 -13.968 -4.253 -5.528 1.00 20.00 N ATOM 759 CA PRO A 41 -12.835 -3.322 -5.413 1.00 20.00 C ATOM 760 C PRO A 41 -11.630 -3.928 -4.678 1.00 20.00 C ATOM 761 O PRO A 41 -11.775 -4.575 -3.635 1.00 20.00 O ATOM 762 CB PRO A 41 -13.442 -2.177 -4.612 1.00 20.00 C ATOM 763 CG PRO A 41 -14.861 -2.123 -5.067 1.00 20.00 C ATOM 764 CD PRO A 41 -15.259 -3.542 -5.402 1.00 20.00 C ATOM 0 HA PRO A 41 -12.432 -3.033 -6.384 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -13.374 -2.362 -3.540 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -12.925 -1.237 -4.807 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -15.503 -1.714 -4.287 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -14.965 -1.475 -5.937 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -15.881 -3.978 -4.620 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -15.833 -3.588 -6.328 1.00 20.00 H new ATOM 772 N HIS A 42 -10.438 -3.699 -5.233 1.00 20.00 N ATOM 773 CA HIS A 42 -9.215 -4.351 -4.762 1.00 20.00 C ATOM 774 C HIS A 42 -8.900 -3.989 -3.319 1.00 20.00 C ATOM 775 O HIS A 42 -8.295 -4.777 -2.594 1.00 20.00 O ATOM 776 CB HIS A 42 -8.028 -3.986 -5.658 1.00 20.00 C ATOM 777 CG HIS A 42 -8.074 -4.625 -7.012 1.00 20.00 C ATOM 778 ND1 HIS A 42 -8.273 -3.914 -8.175 1.00 20.00 N ATOM 779 CD2 HIS A 42 -7.942 -5.919 -7.384 1.00 20.00 C ATOM 780 CE1 HIS A 42 -8.262 -4.741 -9.202 1.00 20.00 C ATOM 781 NE2 HIS A 42 -8.062 -5.965 -8.751 1.00 20.00 N ATOM 0 H HIS A 42 -10.294 -3.061 -6.016 1.00 20.00 H new ATOM 0 HA HIS A 42 -9.386 -5.426 -4.811 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -7.995 -2.903 -5.778 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -7.104 -4.279 -5.159 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -7.773 -6.760 -6.727 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -8.394 -4.464 -10.237 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -8.006 -6.807 -9.324 1.00 20.00 H new ATOM 790 N ASP A 43 -9.326 -2.804 -2.906 1.00 20.00 N ATOM 791 CA ASP A 43 -9.084 -2.330 -1.546 1.00 20.00 C ATOM 792 C ASP A 43 -9.863 -3.169 -0.535 1.00 20.00 C ATOM 793 O ASP A 43 -9.464 -3.306 0.623 1.00 20.00 O ATOM 794 CB ASP A 43 -9.460 -0.849 -1.429 1.00 20.00 C ATOM 795 CG ASP A 43 -9.250 -0.292 -0.036 1.00 20.00 C ATOM 796 OD1 ASP A 43 -8.103 -0.320 0.456 1.00 20.00 O ATOM 797 OD2 ASP A 43 -10.230 0.196 0.566 1.00 20.00 O ATOM 0 H ASP A 43 -9.843 -2.150 -3.493 1.00 20.00 H new ATOM 0 HA ASP A 43 -8.022 -2.437 -1.324 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -8.866 -0.272 -2.138 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -10.505 -0.722 -1.711 1.00 20.00 H new ATOM 802 N GLU A 44 -10.959 -3.758 -0.995 1.00 20.00 N ATOM 803 CA GLU A 44 -11.780 -4.623 -0.157 1.00 20.00 C ATOM 804 C GLU A 44 -11.180 -6.023 -0.101 1.00 20.00 C ATOM 805 O GLU A 44 -11.048 -6.617 0.970 1.00 20.00 O ATOM 806 CB GLU A 44 -13.210 -4.700 -0.703 1.00 20.00 C ATOM 807 CG GLU A 44 -13.948 -3.372 -0.701 1.00 20.00 C ATOM 808 CD GLU A 44 -14.137 -2.816 0.694 1.00 20.00 C ATOM 809 OE1 GLU A 44 -14.952 -3.377 1.459 1.00 20.00 O ATOM 810 OE2 GLU A 44 -13.474 -1.817 1.035 1.00 20.00 O ATOM 0 H GLU A 44 -11.302 -3.652 -1.950 1.00 20.00 H new ATOM 0 HA GLU A 44 -11.807 -4.201 0.848 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -13.178 -5.084 -1.723 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -13.776 -5.418 -0.110 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -13.395 -2.652 -1.304 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -14.922 -3.501 -1.172 1.00 20.00 H new ATOM 817 N VAL A 45 -10.794 -6.527 -1.267 1.00 20.00 N ATOM 818 CA VAL A 45 -10.273 -7.883 -1.397 1.00 20.00 C ATOM 819 C VAL A 45 -8.998 -8.070 -0.579 1.00 20.00 C ATOM 820 O VAL A 45 -8.902 -8.978 0.250 1.00 20.00 O ATOM 821 CB VAL A 45 -9.979 -8.231 -2.871 1.00 20.00 C ATOM 822 CG1 VAL A 45 -9.522 -9.673 -3.009 1.00 20.00 C ATOM 823 CG2 VAL A 45 -11.199 -7.970 -3.736 1.00 20.00 C ATOM 0 H VAL A 45 -10.833 -6.010 -2.146 1.00 20.00 H new ATOM 0 HA VAL A 45 -11.044 -8.553 -1.016 1.00 20.00 H new ATOM 0 HB VAL A 45 -9.170 -7.587 -3.215 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -9.321 -9.892 -4.058 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -8.613 -9.824 -2.426 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -10.303 -10.339 -2.642 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -10.971 -8.222 -4.772 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -12.030 -8.584 -3.388 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -11.473 -6.917 -3.670 1.00 20.00 H new ATOM 833 N GLU A 46 -8.032 -7.187 -0.801 1.00 20.00 N ATOM 834 CA GLU A 46 -6.732 -7.288 -0.146 1.00 20.00 C ATOM 835 C GLU A 46 -6.851 -7.125 1.367 1.00 20.00 C ATOM 836 O GLU A 46 -6.035 -7.651 2.122 1.00 20.00 O ATOM 837 CB GLU A 46 -5.762 -6.243 -0.701 1.00 20.00 C ATOM 838 CG GLU A 46 -5.490 -6.389 -2.190 1.00 20.00 C ATOM 839 CD GLU A 46 -4.888 -7.734 -2.546 1.00 20.00 C ATOM 840 OE1 GLU A 46 -3.835 -8.088 -1.975 1.00 20.00 O ATOM 841 OE2 GLU A 46 -5.468 -8.446 -3.389 1.00 20.00 O ATOM 0 H GLU A 46 -8.124 -6.390 -1.431 1.00 20.00 H new ATOM 0 HA GLU A 46 -6.343 -8.285 -0.354 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -6.166 -5.249 -0.511 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -4.818 -6.313 -0.160 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -6.422 -6.256 -2.740 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -4.814 -5.597 -2.511 1.00 20.00 H new ATOM 848 N ARG A 47 -7.874 -6.406 1.805 1.00 20.00 N ATOM 849 CA ARG A 47 -8.056 -6.132 3.226 1.00 20.00 C ATOM 850 C ARG A 47 -8.614 -7.356 3.949 1.00 20.00 C ATOM 851 O ARG A 47 -8.363 -7.562 5.134 1.00 20.00 O ATOM 852 CB ARG A 47 -8.987 -4.934 3.421 1.00 20.00 C ATOM 853 CG ARG A 47 -8.972 -4.364 4.833 1.00 20.00 C ATOM 854 CD ARG A 47 -9.867 -3.138 4.953 1.00 20.00 C ATOM 855 NE ARG A 47 -11.283 -3.474 4.799 1.00 20.00 N ATOM 856 CZ ARG A 47 -12.048 -3.064 3.788 1.00 20.00 C ATOM 857 NH1 ARG A 47 -11.541 -2.311 2.821 1.00 20.00 N ATOM 858 NH2 ARG A 47 -13.330 -3.401 3.747 1.00 20.00 N ATOM 0 H ARG A 47 -8.590 -6.002 1.201 1.00 20.00 H new ATOM 0 HA ARG A 47 -7.082 -5.896 3.654 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -8.704 -4.149 2.720 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -10.005 -5.233 3.171 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -9.303 -5.127 5.537 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -7.951 -4.098 5.108 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -9.710 -2.668 5.924 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -9.584 -2.407 4.196 1.00 20.00 H new ATOM 0 HE ARG A 47 -11.713 -4.061 5.513 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -10.558 -2.041 2.847 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -12.134 -2.002 2.051 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -13.731 -3.974 4.490 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -13.915 -3.087 2.973 1.00 20.00 H new ATOM 872 N ARG A 48 -9.373 -8.171 3.231 1.00 20.00 N ATOM 873 CA ARG A 48 -9.968 -9.360 3.826 1.00 20.00 C ATOM 874 C ARG A 48 -9.057 -10.574 3.684 1.00 20.00 C ATOM 875 O ARG A 48 -9.064 -11.466 4.531 1.00 20.00 O ATOM 876 CB ARG A 48 -11.343 -9.642 3.218 1.00 20.00 C ATOM 877 CG ARG A 48 -12.425 -8.651 3.646 1.00 20.00 C ATOM 878 CD ARG A 48 -12.721 -8.734 5.145 1.00 20.00 C ATOM 879 NE ARG A 48 -11.588 -8.301 5.967 1.00 20.00 N ATOM 880 CZ ARG A 48 -11.146 -8.956 7.043 1.00 20.00 C ATOM 881 NH1 ARG A 48 -11.788 -10.030 7.488 1.00 20.00 N ATOM 882 NH2 ARG A 48 -10.068 -8.521 7.682 1.00 20.00 N ATOM 0 H ARG A 48 -9.590 -8.033 2.244 1.00 20.00 H new ATOM 0 HA ARG A 48 -10.095 -9.165 4.891 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -11.259 -9.626 2.131 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -11.654 -10.648 3.499 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -12.109 -7.639 3.395 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -13.339 -8.848 3.085 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -13.589 -8.116 5.375 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -12.982 -9.760 5.404 1.00 20.00 H new ATOM 0 HE ARG A 48 -11.105 -7.443 5.700 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -12.625 -10.360 7.007 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -11.444 -10.525 8.311 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -9.580 -7.689 7.351 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -9.727 -9.019 8.505 1.00 20.00 H new ATOM 896 N MET A 49 -8.261 -10.598 2.622 1.00 20.00 N ATOM 897 CA MET A 49 -7.350 -11.714 2.381 1.00 20.00 C ATOM 898 C MET A 49 -6.064 -11.571 3.179 1.00 20.00 C ATOM 899 O MET A 49 -5.349 -12.550 3.383 1.00 20.00 O ATOM 900 CB MET A 49 -7.014 -11.836 0.896 1.00 20.00 C ATOM 901 CG MET A 49 -8.131 -12.428 0.059 1.00 20.00 C ATOM 902 SD MET A 49 -7.647 -12.664 -1.660 1.00 20.00 S ATOM 903 CE MET A 49 -9.121 -13.441 -2.314 1.00 20.00 C ATOM 0 H MET A 49 -8.226 -9.862 1.916 1.00 20.00 H new ATOM 0 HA MET A 49 -7.864 -12.618 2.709 1.00 20.00 H new ATOM 0 HB2 MET A 49 -6.767 -10.848 0.507 1.00 20.00 H new ATOM 0 HB3 MET A 49 -6.123 -12.454 0.785 1.00 20.00 H new ATOM 0 HG2 MET A 49 -8.432 -13.386 0.484 1.00 20.00 H new ATOM 0 HG3 MET A 49 -9.001 -11.773 0.102 1.00 20.00 H new ATOM 0 HE1 MET A 49 -8.981 -13.652 -3.374 1.00 20.00 H new ATOM 0 HE2 MET A 49 -9.309 -14.373 -1.780 1.00 20.00 H new ATOM 0 HE3 MET A 49 -9.972 -12.772 -2.187 1.00 20.00 H new ATOM 913 N ALA A 50 -5.779 -10.352 3.626 1.00 20.00 N ATOM 914 CA ALA A 50 -4.557 -10.056 4.372 1.00 20.00 C ATOM 915 C ALA A 50 -4.324 -11.051 5.506 1.00 20.00 C ATOM 916 O ALA A 50 -3.303 -11.743 5.538 1.00 20.00 O ATOM 917 CB ALA A 50 -4.614 -8.643 4.927 1.00 20.00 C ATOM 0 H ALA A 50 -6.384 -9.544 3.483 1.00 20.00 H new ATOM 0 HA ALA A 50 -3.721 -10.144 3.678 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -3.699 -8.432 5.481 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -4.712 -7.933 4.106 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -5.471 -8.548 5.593 1.00 20.00 H new ATOM 923 N GLU A 51 -5.283 -11.135 6.418 1.00 20.00 N ATOM 924 CA GLU A 51 -5.161 -12.011 7.573 1.00 20.00 C ATOM 925 C GLU A 51 -5.284 -13.480 7.177 1.00 20.00 C ATOM 926 O GLU A 51 -4.690 -14.353 7.809 1.00 20.00 O ATOM 927 CB GLU A 51 -6.209 -11.651 8.629 1.00 20.00 C ATOM 928 CG GLU A 51 -7.636 -11.628 8.107 1.00 20.00 C ATOM 929 CD GLU A 51 -8.643 -11.310 9.192 1.00 20.00 C ATOM 930 OE1 GLU A 51 -8.910 -10.115 9.431 1.00 20.00 O ATOM 931 OE2 GLU A 51 -9.175 -12.250 9.815 1.00 20.00 O ATOM 0 H GLU A 51 -6.154 -10.606 6.379 1.00 20.00 H new ATOM 0 HA GLU A 51 -4.168 -11.865 7.998 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -6.145 -12.368 9.448 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -5.970 -10.672 9.043 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -7.717 -10.887 7.312 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -7.874 -12.596 7.666 1.00 20.00 H new ATOM 938 N ARG A 52 -6.033 -13.748 6.113 1.00 20.00 N ATOM 939 CA ARG A 52 -6.232 -15.120 5.653 1.00 20.00 C ATOM 940 C ARG A 52 -4.940 -15.678 5.077 1.00 20.00 C ATOM 941 O ARG A 52 -4.661 -16.871 5.189 1.00 20.00 O ATOM 942 CB ARG A 52 -7.342 -15.203 4.600 1.00 20.00 C ATOM 943 CG ARG A 52 -8.704 -14.724 5.080 1.00 20.00 C ATOM 944 CD ARG A 52 -9.797 -15.106 4.096 1.00 20.00 C ATOM 945 NE ARG A 52 -9.976 -16.557 4.016 1.00 20.00 N ATOM 946 CZ ARG A 52 -10.740 -17.167 3.107 1.00 20.00 C ATOM 947 NH1 ARG A 52 -11.380 -16.458 2.186 1.00 20.00 N ATOM 948 NH2 ARG A 52 -10.862 -18.488 3.119 1.00 20.00 N ATOM 0 H ARG A 52 -6.510 -13.040 5.555 1.00 20.00 H new ATOM 0 HA ARG A 52 -6.532 -15.715 6.515 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -7.048 -14.612 3.733 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -7.432 -16.237 4.265 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -8.922 -15.157 6.056 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -8.688 -13.642 5.208 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -10.735 -14.640 4.397 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -9.550 -14.716 3.109 1.00 20.00 H new ATOM 0 HE ARG A 52 -9.487 -17.138 4.697 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -11.289 -15.442 2.170 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -11.963 -16.929 1.494 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -10.372 -19.039 3.823 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -11.446 -18.953 2.424 1.00 20.00 H new ATOM 962 N PHE A 53 -4.150 -14.803 4.469 1.00 20.00 N ATOM 963 CA PHE A 53 -2.869 -15.190 3.899 1.00 20.00 C ATOM 964 C PHE A 53 -1.917 -15.653 4.999 1.00 20.00 C ATOM 965 O PHE A 53 -1.067 -16.517 4.781 1.00 20.00 O ATOM 966 CB PHE A 53 -2.265 -14.016 3.124 1.00 20.00 C ATOM 967 CG PHE A 53 -1.000 -14.361 2.389 1.00 20.00 C ATOM 968 CD1 PHE A 53 -1.021 -15.243 1.318 1.00 20.00 C ATOM 969 CD2 PHE A 53 0.212 -13.803 2.766 1.00 20.00 C ATOM 970 CE1 PHE A 53 0.139 -15.561 0.642 1.00 20.00 C ATOM 971 CE2 PHE A 53 1.375 -14.117 2.092 1.00 20.00 C ATOM 972 CZ PHE A 53 1.338 -14.999 1.029 1.00 20.00 C ATOM 0 H PHE A 53 -4.377 -13.815 4.358 1.00 20.00 H new ATOM 0 HA PHE A 53 -3.025 -16.020 3.210 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -3.001 -13.648 2.409 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -2.060 -13.201 3.819 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -1.957 -15.686 1.010 1.00 20.00 H new ATOM 0 HD2 PHE A 53 0.247 -13.114 3.597 1.00 20.00 H new ATOM 0 HE1 PHE A 53 0.108 -16.249 -0.190 1.00 20.00 H new ATOM 0 HE2 PHE A 53 2.312 -13.674 2.395 1.00 20.00 H new ATOM 0 HZ PHE A 53 2.247 -15.248 0.502 1.00 20.00 H new ATOM 982 N ALA A 54 -2.081 -15.082 6.186 1.00 20.00 N ATOM 983 CA ALA A 54 -1.284 -15.471 7.338 1.00 20.00 C ATOM 984 C ALA A 54 -1.637 -16.885 7.778 1.00 20.00 C ATOM 985 O ALA A 54 -0.760 -17.676 8.125 1.00 20.00 O ATOM 986 CB ALA A 54 -1.495 -14.493 8.481 1.00 20.00 C ATOM 0 H ALA A 54 -2.762 -14.346 6.374 1.00 20.00 H new ATOM 0 HA ALA A 54 -0.232 -15.451 7.053 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -0.892 -14.797 9.336 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -1.197 -13.493 8.164 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -2.548 -14.485 8.764 1.00 20.00 H new ATOM 992 N LYS A 55 -2.926 -17.202 7.745 1.00 20.00 N ATOM 993 CA LYS A 55 -3.393 -18.537 8.095 1.00 20.00 C ATOM 994 C LYS A 55 -3.007 -19.534 7.008 1.00 20.00 C ATOM 995 O LYS A 55 -2.736 -20.703 7.286 1.00 20.00 O ATOM 996 CB LYS A 55 -4.911 -18.538 8.297 1.00 20.00 C ATOM 997 CG LYS A 55 -5.483 -19.905 8.644 1.00 20.00 C ATOM 998 CD LYS A 55 -6.989 -19.855 8.805 1.00 20.00 C ATOM 999 CE LYS A 55 -7.560 -21.222 9.146 1.00 20.00 C ATOM 1000 NZ LYS A 55 -7.056 -21.732 10.447 1.00 20.00 N ATOM 0 H LYS A 55 -3.666 -16.552 7.479 1.00 20.00 H new ATOM 0 HA LYS A 55 -2.918 -18.835 9.030 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -5.163 -17.836 9.092 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -5.390 -18.174 7.388 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -5.224 -20.618 7.861 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -5.030 -20.266 9.567 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -7.248 -19.145 9.591 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -7.442 -19.490 7.883 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -8.648 -21.162 9.178 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -7.303 -21.928 8.357 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -7.605 -22.569 10.728 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -6.053 -21.991 10.353 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -7.156 -20.993 11.172 1.00 20.00 H new ATOM 1014 N MET A 56 -2.972 -19.052 5.770 1.00 20.00 N ATOM 1015 CA MET A 56 -2.588 -19.873 4.627 1.00 20.00 C ATOM 1016 C MET A 56 -1.151 -20.365 4.776 1.00 20.00 C ATOM 1017 O MET A 56 -0.785 -21.413 4.250 1.00 20.00 O ATOM 1018 CB MET A 56 -2.744 -19.077 3.325 1.00 20.00 C ATOM 1019 CG MET A 56 -2.399 -19.868 2.069 1.00 20.00 C ATOM 1020 SD MET A 56 -2.507 -18.874 0.566 1.00 20.00 S ATOM 1021 CE MET A 56 -4.233 -18.391 0.599 1.00 20.00 C ATOM 0 H MET A 56 -3.207 -18.089 5.532 1.00 20.00 H new ATOM 0 HA MET A 56 -3.247 -20.741 4.590 1.00 20.00 H new ATOM 0 HB2 MET A 56 -3.772 -18.724 3.248 1.00 20.00 H new ATOM 0 HB3 MET A 56 -2.106 -18.194 3.372 1.00 20.00 H new ATOM 0 HG2 MET A 56 -1.390 -20.268 2.163 1.00 20.00 H new ATOM 0 HG3 MET A 56 -3.073 -20.720 1.985 1.00 20.00 H new ATOM 0 HE1 MET A 56 -4.541 -18.073 -0.397 1.00 20.00 H new ATOM 0 HE2 MET A 56 -4.842 -19.239 0.913 1.00 20.00 H new ATOM 0 HE3 MET A 56 -4.367 -17.568 1.301 1.00 20.00 H new ATOM 1031 N ARG A 57 -0.346 -19.607 5.514 1.00 20.00 N ATOM 1032 CA ARG A 57 1.032 -19.994 5.787 1.00 20.00 C ATOM 1033 C ARG A 57 1.075 -21.278 6.608 1.00 20.00 C ATOM 1034 O ARG A 57 2.013 -22.067 6.500 1.00 20.00 O ATOM 1035 CB ARG A 57 1.768 -18.874 6.523 1.00 20.00 C ATOM 1036 CG ARG A 57 1.954 -17.620 5.685 1.00 20.00 C ATOM 1037 CD ARG A 57 2.651 -16.521 6.469 1.00 20.00 C ATOM 1038 NE ARG A 57 3.949 -16.954 6.982 1.00 20.00 N ATOM 1039 CZ ARG A 57 4.817 -16.150 7.592 1.00 20.00 C ATOM 1040 NH1 ARG A 57 4.553 -14.855 7.727 1.00 20.00 N ATOM 1041 NH2 ARG A 57 5.955 -16.642 8.061 1.00 20.00 N ATOM 0 H ARG A 57 -0.626 -18.720 5.934 1.00 20.00 H new ATOM 0 HA ARG A 57 1.531 -20.172 4.834 1.00 20.00 H new ATOM 0 HB2 ARG A 57 1.215 -18.619 7.427 1.00 20.00 H new ATOM 0 HB3 ARG A 57 2.745 -19.239 6.839 1.00 20.00 H new ATOM 0 HG2 ARG A 57 2.537 -17.859 4.796 1.00 20.00 H new ATOM 0 HG3 ARG A 57 0.983 -17.263 5.343 1.00 20.00 H new ATOM 0 HD2 ARG A 57 2.787 -15.649 5.829 1.00 20.00 H new ATOM 0 HD3 ARG A 57 2.018 -16.211 7.300 1.00 20.00 H new ATOM 0 HE ARG A 57 4.206 -17.934 6.865 1.00 20.00 H new ATOM 0 HH11 ARG A 57 3.681 -14.472 7.362 1.00 20.00 H new ATOM 0 HH12 ARG A 57 5.222 -14.244 8.195 1.00 20.00 H new ATOM 0 HH21 ARG A 57 6.164 -17.635 7.954 1.00 20.00 H new ATOM 0 HH22 ARG A 57 6.622 -16.028 8.529 1.00 20.00 H new ATOM 1055 N LYS A 58 0.044 -21.488 7.413 1.00 20.00 N ATOM 1056 CA LYS A 58 -0.063 -22.690 8.227 1.00 20.00 C ATOM 1057 C LYS A 58 -0.669 -23.826 7.404 1.00 20.00 C ATOM 1058 O LYS A 58 -0.499 -25.008 7.719 1.00 20.00 O ATOM 1059 CB LYS A 58 -0.926 -22.406 9.461 1.00 20.00 C ATOM 1060 CG LYS A 58 -1.067 -23.590 10.403 1.00 20.00 C ATOM 1061 CD LYS A 58 -1.938 -23.248 11.599 1.00 20.00 C ATOM 1062 CE LYS A 58 -2.051 -24.421 12.558 1.00 20.00 C ATOM 1063 NZ LYS A 58 -0.720 -24.848 13.060 1.00 20.00 N ATOM 0 H LYS A 58 -0.734 -20.838 7.520 1.00 20.00 H new ATOM 0 HA LYS A 58 0.932 -22.991 8.555 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -0.494 -21.569 10.009 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -1.918 -22.095 9.134 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -1.499 -24.434 9.866 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -0.081 -23.902 10.747 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -1.519 -22.388 12.122 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -2.932 -22.960 11.256 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -2.686 -24.144 13.400 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -2.536 -25.257 12.055 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -0.843 -25.465 13.888 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -0.217 -25.368 12.312 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -0.166 -24.011 13.331 1.00 20.00 H new ATOM 1077 N GLU A 59 -1.356 -23.455 6.331 1.00 20.00 N ATOM 1078 CA GLU A 59 -2.026 -24.422 5.467 1.00 20.00 C ATOM 1079 C GLU A 59 -1.030 -25.120 4.550 1.00 20.00 C ATOM 1080 O GLU A 59 -1.364 -26.103 3.883 1.00 20.00 O ATOM 1081 CB GLU A 59 -3.110 -23.734 4.632 1.00 20.00 C ATOM 1082 CG GLU A 59 -4.252 -23.165 5.458 1.00 20.00 C ATOM 1083 CD GLU A 59 -5.010 -24.234 6.214 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -4.526 -24.678 7.273 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -6.092 -24.645 5.746 1.00 20.00 O ATOM 0 H GLU A 59 -1.465 -22.485 6.036 1.00 20.00 H new ATOM 0 HA GLU A 59 -2.492 -25.173 6.105 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -2.655 -22.929 4.055 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -3.513 -24.450 3.916 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -3.856 -22.436 6.165 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -4.940 -22.632 4.802 1.00 20.00 H new ATOM 1092 N ARG A 60 0.190 -24.610 4.522 1.00 20.00 N ATOM 1093 CA ARG A 60 1.249 -25.190 3.712 1.00 20.00 C ATOM 1094 C ARG A 60 2.564 -25.220 4.488 1.00 20.00 C ATOM 1095 O ARG A 60 3.619 -24.864 3.964 1.00 20.00 O ATOM 1096 CB ARG A 60 1.416 -24.408 2.405 1.00 20.00 C ATOM 1097 CG ARG A 60 1.665 -22.920 2.601 1.00 20.00 C ATOM 1098 CD ARG A 60 1.902 -22.221 1.272 1.00 20.00 C ATOM 1099 NE ARG A 60 0.789 -22.419 0.347 1.00 20.00 N ATOM 1100 CZ ARG A 60 0.900 -22.348 -0.978 1.00 20.00 C ATOM 1101 NH1 ARG A 60 2.075 -22.082 -1.535 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -0.166 -22.544 -1.744 1.00 20.00 N ATOM 0 H ARG A 60 0.473 -23.788 5.056 1.00 20.00 H new ATOM 0 HA ARG A 60 0.971 -26.215 3.467 1.00 20.00 H new ATOM 0 HB2 ARG A 60 2.247 -24.834 1.843 1.00 20.00 H new ATOM 0 HB3 ARG A 60 0.520 -24.539 1.798 1.00 20.00 H new ATOM 0 HG2 ARG A 60 0.810 -22.469 3.104 1.00 20.00 H new ATOM 0 HG3 ARG A 60 2.529 -22.776 3.250 1.00 20.00 H new ATOM 0 HD2 ARG A 60 2.046 -21.154 1.443 1.00 20.00 H new ATOM 0 HD3 ARG A 60 2.820 -22.599 0.822 1.00 20.00 H new ATOM 0 HE ARG A 60 -0.130 -22.624 0.740 1.00 20.00 H new ATOM 0 HH11 ARG A 60 2.895 -21.931 -0.948 1.00 20.00 H new ATOM 0 HH12 ARG A 60 2.158 -22.028 -2.550 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -1.070 -22.749 -1.318 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -0.082 -22.490 -2.759 1.00 20.00 H new ATOM 1116 N SER A 61 2.494 -25.649 5.739 1.00 20.00 N ATOM 1117 CA SER A 61 3.673 -25.706 6.586 1.00 20.00 C ATOM 1118 C SER A 61 3.853 -27.109 7.165 1.00 20.00 C ATOM 1119 O SER A 61 2.874 -27.796 7.472 1.00 20.00 O ATOM 1120 CB SER A 61 3.556 -24.679 7.718 1.00 20.00 C ATOM 1121 OG SER A 61 4.737 -24.635 8.499 1.00 20.00 O ATOM 0 H SER A 61 1.634 -25.962 6.189 1.00 20.00 H new ATOM 0 HA SER A 61 4.547 -25.469 5.980 1.00 20.00 H new ATOM 0 HB2 SER A 61 3.359 -23.693 7.298 1.00 20.00 H new ATOM 0 HB3 SER A 61 2.707 -24.930 8.353 1.00 20.00 H new ATOM 0 HG SER A 61 4.501 -24.658 9.450 1.00 20.00 H new ATOM 1127 N LYS A 62 5.103 -27.540 7.289 1.00 20.00 N ATOM 1128 CA LYS A 62 5.419 -28.818 7.910 1.00 20.00 C ATOM 1129 C LYS A 62 5.873 -28.598 9.347 1.00 20.00 C ATOM 1130 O LYS A 62 7.024 -28.235 9.595 1.00 20.00 O ATOM 1131 CB LYS A 62 6.512 -29.568 7.130 1.00 20.00 C ATOM 1132 CG LYS A 62 6.036 -30.238 5.844 1.00 20.00 C ATOM 1133 CD LYS A 62 5.696 -29.231 4.758 1.00 20.00 C ATOM 1134 CE LYS A 62 5.235 -29.927 3.486 1.00 20.00 C ATOM 1135 NZ LYS A 62 4.882 -28.958 2.415 1.00 20.00 N ATOM 0 H LYS A 62 5.918 -27.019 6.965 1.00 20.00 H new ATOM 0 HA LYS A 62 4.516 -29.428 7.899 1.00 20.00 H new ATOM 0 HB2 LYS A 62 7.309 -28.866 6.884 1.00 20.00 H new ATOM 0 HB3 LYS A 62 6.946 -30.328 7.780 1.00 20.00 H new ATOM 0 HG2 LYS A 62 6.811 -30.913 5.480 1.00 20.00 H new ATOM 0 HG3 LYS A 62 5.158 -30.847 6.058 1.00 20.00 H new ATOM 0 HD2 LYS A 62 4.913 -28.560 5.113 1.00 20.00 H new ATOM 0 HD3 LYS A 62 6.570 -28.616 4.543 1.00 20.00 H new ATOM 0 HE2 LYS A 62 6.024 -30.589 3.129 1.00 20.00 H new ATOM 0 HE3 LYS A 62 4.370 -30.552 3.708 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 4.573 -29.475 1.567 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 4.112 -28.342 2.744 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 5.714 -28.378 2.183 1.00 20.00 H new ATOM 1149 N GLN A 63 4.967 -28.793 10.288 1.00 20.00 N ATOM 1150 CA GLN A 63 5.289 -28.627 11.695 1.00 20.00 C ATOM 1151 C GLN A 63 5.486 -29.988 12.348 1.00 20.00 C ATOM 1152 O GLN A 63 4.479 -30.619 12.718 1.00 20.00 O ATOM 1153 CB GLN A 63 4.185 -27.845 12.412 1.00 20.00 C ATOM 1154 CG GLN A 63 3.973 -26.443 11.859 1.00 20.00 C ATOM 1155 CD GLN A 63 5.197 -25.555 11.999 1.00 20.00 C ATOM 1156 OE1 GLN A 63 5.433 -24.672 11.173 1.00 20.00 O ATOM 1157 NE2 GLN A 63 5.977 -25.768 13.047 1.00 20.00 N ATOM 1158 OXT GLN A 63 6.650 -30.426 12.481 1.00 20.00 O ATOM 0 H GLN A 63 4.002 -29.067 10.104 1.00 20.00 H new ATOM 0 HA GLN A 63 6.216 -28.060 11.776 1.00 20.00 H new ATOM 0 HB2 GLN A 63 3.250 -28.401 12.337 1.00 20.00 H new ATOM 0 HB3 GLN A 63 4.431 -27.775 13.472 1.00 20.00 H new ATOM 0 HG2 GLN A 63 3.700 -26.512 10.806 1.00 20.00 H new ATOM 0 HG3 GLN A 63 3.133 -25.978 12.376 1.00 20.00 H new ATOM 0 HE21 GLN A 63 5.749 -26.509 13.710 1.00 20.00 H new ATOM 0 HE22 GLN A 63 6.806 -25.191 13.192 1.00 20.00 H new TER 1167 GLN A 63