USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=13 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 14 THR OG1 : rot 30:sc= 1.59 USER MOD Set 1.2: A 19 ASN : amide:sc= -2.89! K(o=-1.3!,f=0.73) USER MOD Single : A 1 LYS NZ :NH3+ -164:sc= -0.045 (180deg=-0.318) USER MOD Single : A 2 ASN : amide:sc=-0.000551 X(o=-0.00055,f=-0.31) USER MOD Single : A 6 SER OG : rot -140:sc= -3.33! USER MOD Single : A 8 MET CE :methyl -157:sc= -0.123 (180deg=-0.772) 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= -0.289 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 20 SER OG : rot 73:sc= 0.294 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.85! K(o=-2.8!,f=-0.66) USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= -0.0529 (180deg=-0.431) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -160:sc= 0.126 USER MOD Single : A 42 HIS : no HD1:sc= -0.0385 X(o=-0.038,f=-0.0037) USER MOD Single : A 49 MET CE :methyl -152:sc= -0.157 (180deg=-1.53) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -28.221 -16.341 33.190 1.00 20.00 N ATOM 2 CA MET A -7 -28.678 -15.494 34.315 1.00 20.00 C ATOM 3 C MET A -7 -28.303 -14.037 34.073 1.00 20.00 C ATOM 4 O MET A -7 -29.170 -13.190 33.872 1.00 20.00 O ATOM 5 CB MET A -7 -28.069 -15.977 35.635 1.00 20.00 C ATOM 6 CG MET A -7 -28.611 -15.246 36.854 1.00 20.00 C ATOM 7 SD MET A -7 -27.840 -15.790 38.390 1.00 20.00 S ATOM 8 CE MET A -7 -28.775 -14.851 39.596 1.00 20.00 C ATOM 0 H1 MET A -7 -28.485 -17.331 33.371 1.00 20.00 H new ATOM 0 H2 MET A -7 -28.669 -16.019 32.309 1.00 20.00 H new ATOM 0 H3 MET A -7 -27.187 -16.269 33.099 1.00 20.00 H new ATOM 0 HA MET A -7 -29.763 -15.572 34.380 1.00 20.00 H new ATOM 0 HB2 MET A -7 -28.260 -17.044 35.746 1.00 20.00 H new ATOM 0 HB3 MET A -7 -26.987 -15.850 35.596 1.00 20.00 H new ATOM 0 HG2 MET A -7 -28.451 -14.175 36.731 1.00 20.00 H new ATOM 0 HG3 MET A -7 -29.688 -15.402 36.917 1.00 20.00 H new ATOM 0 HE1 MET A -7 -28.412 -15.082 40.598 1.00 20.00 H new ATOM 0 HE2 MET A -7 -28.652 -13.785 39.402 1.00 20.00 H new ATOM 0 HE3 MET A -7 -29.830 -15.114 39.523 1.00 20.00 H new ATOM 20 N ASP A -6 -27.007 -13.748 34.086 1.00 20.00 N ATOM 21 CA ASP A -6 -26.527 -12.390 33.865 1.00 20.00 C ATOM 22 C ASP A -6 -25.680 -12.330 32.603 1.00 20.00 C ATOM 23 O ASP A -6 -26.044 -11.672 31.628 1.00 20.00 O ATOM 24 CB ASP A -6 -25.709 -11.902 35.063 1.00 20.00 C ATOM 25 CG ASP A -6 -25.306 -10.446 34.934 1.00 20.00 C ATOM 26 OD1 ASP A -6 -24.288 -10.154 34.272 1.00 20.00 O ATOM 27 OD2 ASP A -6 -26.008 -9.581 35.498 1.00 20.00 O ATOM 0 H ASP A -6 -26.271 -14.435 34.247 1.00 20.00 H new ATOM 0 HA ASP A -6 -27.393 -11.738 33.746 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -26.291 -12.036 35.975 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -24.814 -12.516 35.163 1.00 20.00 H new ATOM 32 N TYR A -5 -24.559 -13.033 32.621 1.00 20.00 N ATOM 33 CA TYR A -5 -23.671 -13.072 31.469 1.00 20.00 C ATOM 34 C TYR A -5 -24.156 -14.095 30.456 1.00 20.00 C ATOM 35 O TYR A -5 -23.818 -15.279 30.539 1.00 20.00 O ATOM 36 CB TYR A -5 -22.230 -13.392 31.885 1.00 20.00 C ATOM 37 CG TYR A -5 -21.537 -12.258 32.605 1.00 20.00 C ATOM 38 CD1 TYR A -5 -21.017 -11.184 31.896 1.00 20.00 C ATOM 39 CD2 TYR A -5 -21.401 -12.261 33.987 1.00 20.00 C ATOM 40 CE1 TYR A -5 -20.382 -10.142 32.542 1.00 20.00 C ATOM 41 CE2 TYR A -5 -20.767 -11.222 34.642 1.00 20.00 C ATOM 42 CZ TYR A -5 -20.259 -10.165 33.914 1.00 20.00 C ATOM 43 OH TYR A -5 -19.626 -9.128 34.562 1.00 20.00 O ATOM 0 H TYR A -5 -24.242 -13.584 33.419 1.00 20.00 H new ATOM 0 HA TYR A -5 -23.683 -12.083 31.011 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -22.235 -14.271 32.530 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -21.654 -13.652 30.997 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -21.111 -11.163 30.820 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -21.797 -13.088 34.559 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -19.984 -9.314 31.975 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -20.670 -11.237 35.717 1.00 20.00 H new ATOM 0 HH TYR A -5 -19.625 -9.297 35.527 1.00 20.00 H new ATOM 53 N LYS A -4 -24.975 -13.647 29.520 1.00 20.00 N ATOM 54 CA LYS A -4 -25.436 -14.505 28.445 1.00 20.00 C ATOM 55 C LYS A -4 -24.405 -14.512 27.327 1.00 20.00 C ATOM 56 O LYS A -4 -24.341 -13.578 26.526 1.00 20.00 O ATOM 57 CB LYS A -4 -26.805 -14.046 27.929 1.00 20.00 C ATOM 58 CG LYS A -4 -27.349 -14.889 26.777 1.00 20.00 C ATOM 59 CD LYS A -4 -27.410 -16.369 27.129 1.00 20.00 C ATOM 60 CE LYS A -4 -28.321 -16.636 28.316 1.00 20.00 C ATOM 61 NZ LYS A -4 -28.342 -18.075 28.685 1.00 20.00 N ATOM 0 H LYS A -4 -25.334 -12.693 29.484 1.00 20.00 H new ATOM 0 HA LYS A -4 -25.554 -15.520 28.824 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -27.519 -14.070 28.752 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -26.730 -13.009 27.603 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -28.346 -14.539 26.512 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -26.719 -14.751 25.899 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -27.765 -16.932 26.266 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -26.406 -16.730 27.354 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -27.987 -16.047 29.170 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -29.333 -16.307 28.078 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -28.975 -18.216 29.498 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -28.685 -18.635 27.879 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -27.381 -18.383 28.936 1.00 20.00 H new ATOM 75 N ASP A -3 -23.580 -15.557 27.321 1.00 20.00 N ATOM 76 CA ASP A -3 -22.505 -15.715 26.342 1.00 20.00 C ATOM 77 C ASP A -3 -21.406 -14.685 26.577 1.00 20.00 C ATOM 78 O ASP A -3 -21.400 -13.995 27.602 1.00 20.00 O ATOM 79 CB ASP A -3 -23.039 -15.632 24.904 1.00 20.00 C ATOM 80 CG ASP A -3 -23.772 -16.891 24.483 1.00 20.00 C ATOM 81 OD1 ASP A -3 -24.872 -17.155 25.014 1.00 20.00 O ATOM 82 OD2 ASP A -3 -23.248 -17.635 23.627 1.00 20.00 O ATOM 0 H ASP A -3 -23.638 -16.320 27.996 1.00 20.00 H new ATOM 0 HA ASP A -3 -22.076 -16.708 26.475 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -23.711 -14.778 24.818 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -22.208 -15.454 24.221 1.00 20.00 H new ATOM 87 N ASP A -2 -20.466 -14.597 25.653 1.00 20.00 N ATOM 88 CA ASP A -2 -19.349 -13.670 25.794 1.00 20.00 C ATOM 89 C ASP A -2 -19.784 -12.250 25.468 1.00 20.00 C ATOM 90 O ASP A -2 -19.656 -11.336 26.288 1.00 20.00 O ATOM 91 CB ASP A -2 -18.180 -14.077 24.886 1.00 20.00 C ATOM 92 CG ASP A -2 -17.569 -15.407 25.279 1.00 20.00 C ATOM 93 OD1 ASP A -2 -17.098 -15.534 26.427 1.00 20.00 O ATOM 94 OD2 ASP A -2 -17.564 -16.341 24.444 1.00 20.00 O ATOM 0 H ASP A -2 -20.450 -15.153 24.798 1.00 20.00 H new ATOM 0 HA ASP A -2 -19.015 -13.708 26.831 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -18.529 -14.133 23.855 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -17.412 -13.304 24.921 1.00 20.00 H new ATOM 99 N ASP A -1 -20.316 -12.078 24.274 1.00 20.00 N ATOM 100 CA ASP A -1 -20.713 -10.767 23.787 1.00 20.00 C ATOM 101 C ASP A -1 -22.150 -10.460 24.169 1.00 20.00 C ATOM 102 O ASP A -1 -22.924 -11.357 24.501 1.00 20.00 O ATOM 103 CB ASP A -1 -20.579 -10.700 22.261 1.00 20.00 C ATOM 104 CG ASP A -1 -19.165 -10.939 21.779 1.00 20.00 C ATOM 105 OD1 ASP A -1 -18.377 -9.971 21.738 1.00 20.00 O ATOM 106 OD2 ASP A -1 -18.840 -12.093 21.427 1.00 20.00 O ATOM 0 H ASP A -1 -20.486 -12.838 23.615 1.00 20.00 H new ATOM 0 HA ASP A -1 -20.054 -10.030 24.246 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -21.240 -11.441 21.811 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -20.914 -9.722 21.915 1.00 20.00 H new ATOM 111 N ASP A 0 -22.496 -9.183 24.102 1.00 20.00 N ATOM 112 CA ASP A 0 -23.863 -8.724 24.332 1.00 20.00 C ATOM 113 C ASP A 0 -24.657 -8.838 23.031 1.00 20.00 C ATOM 114 O ASP A 0 -25.839 -8.502 22.958 1.00 20.00 O ATOM 115 CB ASP A 0 -23.846 -7.277 24.842 1.00 20.00 C ATOM 116 CG ASP A 0 -25.225 -6.743 25.177 1.00 20.00 C ATOM 117 OD1 ASP A 0 -25.833 -7.220 26.159 1.00 20.00 O ATOM 118 OD2 ASP A 0 -25.701 -5.836 24.462 1.00 20.00 O ATOM 0 H ASP A 0 -21.839 -8.433 23.887 1.00 20.00 H new ATOM 0 HA ASP A 0 -24.342 -9.345 25.089 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -23.216 -7.219 25.730 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -23.390 -6.638 24.086 1.00 20.00 H new ATOM 123 N LYS A 1 -23.970 -9.338 22.006 1.00 20.00 N ATOM 124 CA LYS A 1 -24.545 -9.538 20.681 1.00 20.00 C ATOM 125 C LYS A 1 -25.569 -10.682 20.689 1.00 20.00 C ATOM 126 O LYS A 1 -26.223 -10.955 19.677 1.00 20.00 O ATOM 127 CB LYS A 1 -23.415 -9.840 19.685 1.00 20.00 C ATOM 128 CG LYS A 1 -23.870 -9.951 18.236 1.00 20.00 C ATOM 129 CD LYS A 1 -22.738 -10.403 17.323 1.00 20.00 C ATOM 130 CE LYS A 1 -21.671 -9.330 17.164 1.00 20.00 C ATOM 131 NZ LYS A 1 -22.207 -8.112 16.501 1.00 20.00 N ATOM 0 H LYS A 1 -22.991 -9.617 22.074 1.00 20.00 H new ATOM 0 HA LYS A 1 -25.068 -8.630 20.381 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -22.663 -9.055 19.758 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -22.931 -10.773 19.974 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -24.697 -10.658 18.167 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -24.247 -8.986 17.898 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -22.285 -11.308 17.728 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -23.142 -10.660 16.344 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -21.273 -9.065 18.144 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -20.841 -9.727 16.579 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -21.418 -7.523 16.167 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -22.799 -8.389 15.692 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -22.780 -7.571 17.180 1.00 20.00 H new ATOM 145 N ASN A 2 -25.700 -11.345 21.832 1.00 20.00 N ATOM 146 CA ASN A 2 -26.671 -12.424 21.993 1.00 20.00 C ATOM 147 C ASN A 2 -28.082 -11.913 21.705 1.00 20.00 C ATOM 148 O ASN A 2 -28.430 -10.787 22.061 1.00 20.00 O ATOM 149 CB ASN A 2 -26.590 -13.015 23.408 1.00 20.00 C ATOM 150 CG ASN A 2 -26.905 -12.002 24.495 1.00 20.00 C ATOM 151 OD1 ASN A 2 -26.033 -11.249 24.929 1.00 20.00 O ATOM 152 ND2 ASN A 2 -28.145 -11.991 24.961 1.00 20.00 N ATOM 0 H ASN A 2 -25.144 -11.154 22.665 1.00 20.00 H new ATOM 0 HA ASN A 2 -26.435 -13.213 21.279 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -27.285 -13.851 23.486 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -25.589 -13.415 23.571 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -28.405 -11.343 25.705 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -28.840 -12.630 24.576 1.00 20.00 H new ATOM 159 N ARG A 3 -28.890 -12.740 21.062 1.00 20.00 N ATOM 160 CA ARG A 3 -30.209 -12.316 20.615 1.00 20.00 C ATOM 161 C ARG A 3 -31.252 -13.401 20.865 1.00 20.00 C ATOM 162 O ARG A 3 -31.935 -13.862 19.949 1.00 20.00 O ATOM 163 CB ARG A 3 -30.162 -11.913 19.135 1.00 20.00 C ATOM 164 CG ARG A 3 -29.503 -12.943 18.230 1.00 20.00 C ATOM 165 CD ARG A 3 -29.282 -12.389 16.832 1.00 20.00 C ATOM 166 NE ARG A 3 -30.535 -12.020 16.177 1.00 20.00 N ATOM 167 CZ ARG A 3 -30.612 -11.525 14.944 1.00 20.00 C ATOM 168 NH1 ARG A 3 -29.507 -11.286 14.248 1.00 20.00 N ATOM 169 NH2 ARG A 3 -31.799 -11.253 14.413 1.00 20.00 N ATOM 0 H ARG A 3 -28.657 -13.707 20.838 1.00 20.00 H new ATOM 0 HA ARG A 3 -30.507 -11.444 21.197 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -31.179 -11.736 18.785 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -29.625 -10.969 19.044 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -28.548 -13.248 18.658 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -30.127 -13.835 18.176 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -28.633 -11.515 16.888 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -28.763 -13.133 16.227 1.00 20.00 H new ATOM 0 HE ARG A 3 -31.403 -12.150 16.696 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -28.594 -11.482 14.658 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -29.571 -10.907 13.303 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -32.649 -11.424 14.950 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -31.860 -10.874 13.468 1.00 20.00 H new ATOM 183 N ALA A 4 -31.377 -13.792 22.125 1.00 20.00 N ATOM 184 CA ALA A 4 -32.342 -14.802 22.528 1.00 20.00 C ATOM 185 C ALA A 4 -33.671 -14.152 22.898 1.00 20.00 C ATOM 186 O ALA A 4 -34.702 -14.438 22.291 1.00 20.00 O ATOM 187 CB ALA A 4 -31.799 -15.610 23.695 1.00 20.00 C ATOM 0 H ALA A 4 -30.816 -13.420 22.891 1.00 20.00 H new ATOM 0 HA ALA A 4 -32.513 -15.476 21.689 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -32.531 -16.363 23.988 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -30.872 -16.101 23.398 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -31.604 -14.947 24.538 1.00 20.00 H new ATOM 193 N LEU A 5 -33.636 -13.264 23.886 1.00 20.00 N ATOM 194 CA LEU A 5 -34.831 -12.545 24.321 1.00 20.00 C ATOM 195 C LEU A 5 -34.780 -11.109 23.816 1.00 20.00 C ATOM 196 O LEU A 5 -35.437 -10.216 24.354 1.00 20.00 O ATOM 197 CB LEU A 5 -34.965 -12.549 25.852 1.00 20.00 C ATOM 198 CG LEU A 5 -35.400 -13.877 26.489 1.00 20.00 C ATOM 199 CD1 LEU A 5 -34.293 -14.916 26.417 1.00 20.00 C ATOM 200 CD2 LEU A 5 -35.827 -13.657 27.932 1.00 20.00 C ATOM 0 H LEU A 5 -32.790 -13.023 24.403 1.00 20.00 H new ATOM 0 HA LEU A 5 -35.700 -13.054 23.904 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -34.005 -12.261 26.281 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -35.684 -11.781 26.135 1.00 20.00 H new ATOM 0 HG LEU A 5 -36.251 -14.256 25.923 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -34.634 -15.844 26.877 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -34.035 -15.101 25.374 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -33.415 -14.549 26.948 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -36.133 -14.607 28.370 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -34.992 -13.247 28.500 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -36.663 -12.958 27.962 1.00 20.00 H new ATOM 212 N SER A 6 -33.985 -10.903 22.782 1.00 20.00 N ATOM 213 CA SER A 6 -33.767 -9.581 22.225 1.00 20.00 C ATOM 214 C SER A 6 -34.946 -9.133 21.365 1.00 20.00 C ATOM 215 O SER A 6 -35.528 -9.933 20.624 1.00 20.00 O ATOM 216 CB SER A 6 -32.490 -9.583 21.388 1.00 20.00 C ATOM 217 OG SER A 6 -31.381 -10.022 22.155 1.00 20.00 O ATOM 0 H SER A 6 -33.473 -11.646 22.306 1.00 20.00 H new ATOM 0 HA SER A 6 -33.669 -8.878 23.052 1.00 20.00 H new ATOM 0 HB2 SER A 6 -32.619 -10.233 20.523 1.00 20.00 H new ATOM 0 HB3 SER A 6 -32.299 -8.580 21.007 1.00 20.00 H new ATOM 0 HG SER A 6 -30.595 -9.481 21.932 1.00 20.00 H new ATOM 223 N PRO A 7 -35.325 -7.851 21.472 1.00 20.00 N ATOM 224 CA PRO A 7 -36.348 -7.254 20.615 1.00 20.00 C ATOM 225 C PRO A 7 -35.811 -6.986 19.214 1.00 20.00 C ATOM 226 O PRO A 7 -35.485 -5.849 18.864 1.00 20.00 O ATOM 227 CB PRO A 7 -36.680 -5.940 21.324 1.00 20.00 C ATOM 228 CG PRO A 7 -35.426 -5.581 22.043 1.00 20.00 C ATOM 229 CD PRO A 7 -34.790 -6.882 22.450 1.00 20.00 C ATOM 0 HA PRO A 7 -37.213 -7.903 20.480 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -36.966 -5.165 20.612 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -37.514 -6.061 22.015 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -34.759 -5.006 21.400 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -35.640 -4.963 22.915 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -33.702 -6.827 22.406 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -35.055 -7.156 23.471 1.00 20.00 H new ATOM 237 N MET A 8 -35.740 -8.039 18.416 1.00 20.00 N ATOM 238 CA MET A 8 -35.150 -7.970 17.082 1.00 20.00 C ATOM 239 C MET A 8 -36.130 -7.369 16.083 1.00 20.00 C ATOM 240 O MET A 8 -36.313 -7.885 14.979 1.00 20.00 O ATOM 241 CB MET A 8 -34.725 -9.369 16.629 1.00 20.00 C ATOM 242 CG MET A 8 -33.671 -10.002 17.525 1.00 20.00 C ATOM 243 SD MET A 8 -33.386 -11.745 17.150 1.00 20.00 S ATOM 244 CE MET A 8 -34.970 -12.453 17.597 1.00 20.00 C ATOM 0 H MET A 8 -36.087 -8.964 18.670 1.00 20.00 H new ATOM 0 HA MET A 8 -34.273 -7.324 17.126 1.00 20.00 H new ATOM 0 HB2 MET A 8 -35.602 -10.015 16.601 1.00 20.00 H new ATOM 0 HB3 MET A 8 -34.339 -9.311 15.611 1.00 20.00 H new ATOM 0 HG2 MET A 8 -32.734 -9.455 17.418 1.00 20.00 H new ATOM 0 HG3 MET A 8 -33.980 -9.905 18.566 1.00 20.00 H new ATOM 0 HE1 MET A 8 -34.846 -13.513 17.817 1.00 20.00 H new ATOM 0 HE2 MET A 8 -35.361 -11.943 18.478 1.00 20.00 H new ATOM 0 HE3 MET A 8 -35.669 -12.334 16.769 1.00 20.00 H new ATOM 254 N VAL A 9 -36.752 -6.270 16.482 1.00 20.00 N ATOM 255 CA VAL A 9 -37.747 -5.601 15.667 1.00 20.00 C ATOM 256 C VAL A 9 -38.036 -4.208 16.246 1.00 20.00 C ATOM 257 O VAL A 9 -39.182 -3.768 16.352 1.00 20.00 O ATOM 258 CB VAL A 9 -39.041 -6.454 15.563 1.00 20.00 C ATOM 259 CG1 VAL A 9 -39.731 -6.586 16.914 1.00 20.00 C ATOM 260 CG2 VAL A 9 -39.988 -5.898 14.507 1.00 20.00 C ATOM 0 H VAL A 9 -36.579 -5.819 17.380 1.00 20.00 H new ATOM 0 HA VAL A 9 -37.359 -5.481 14.656 1.00 20.00 H new ATOM 0 HB VAL A 9 -38.749 -7.455 15.247 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -40.633 -7.189 16.805 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -39.056 -7.067 17.622 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -39.999 -5.596 17.284 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -40.884 -6.517 14.459 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -40.266 -4.877 14.769 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -39.492 -5.901 13.536 1.00 20.00 H new ATOM 270 N SER A 10 -36.965 -3.517 16.627 1.00 20.00 N ATOM 271 CA SER A 10 -37.073 -2.165 17.174 1.00 20.00 C ATOM 272 C SER A 10 -37.725 -1.238 16.151 1.00 20.00 C ATOM 273 O SER A 10 -38.452 -0.309 16.506 1.00 20.00 O ATOM 274 CB SER A 10 -35.690 -1.640 17.585 1.00 20.00 C ATOM 275 OG SER A 10 -35.775 -0.355 18.177 1.00 20.00 O ATOM 0 H SER A 10 -36.010 -3.871 16.567 1.00 20.00 H new ATOM 0 HA SER A 10 -37.701 -2.193 18.064 1.00 20.00 H new ATOM 0 HB2 SER A 10 -35.230 -2.335 18.287 1.00 20.00 H new ATOM 0 HB3 SER A 10 -35.042 -1.596 16.710 1.00 20.00 H new ATOM 0 HG SER A 10 -34.878 -0.051 18.428 1.00 20.00 H new ATOM 281 N GLU A 11 -37.458 -1.510 14.881 1.00 20.00 N ATOM 282 CA GLU A 11 -38.122 -0.834 13.784 1.00 20.00 C ATOM 283 C GLU A 11 -38.044 -1.710 12.543 1.00 20.00 C ATOM 284 O GLU A 11 -37.076 -2.450 12.355 1.00 20.00 O ATOM 285 CB GLU A 11 -37.510 0.549 13.517 1.00 20.00 C ATOM 286 CG GLU A 11 -36.044 0.533 13.120 1.00 20.00 C ATOM 287 CD GLU A 11 -35.525 1.922 12.809 1.00 20.00 C ATOM 288 OE1 GLU A 11 -35.115 2.636 13.746 1.00 20.00 O ATOM 289 OE2 GLU A 11 -35.543 2.320 11.628 1.00 20.00 O ATOM 0 H GLU A 11 -36.774 -2.207 14.586 1.00 20.00 H new ATOM 0 HA GLU A 11 -39.166 -0.671 14.052 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -38.080 1.036 12.726 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -37.622 1.159 14.413 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -35.455 0.098 13.927 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -35.912 -0.107 12.248 1.00 20.00 H new ATOM 296 N PHE A 12 -39.075 -1.651 11.718 1.00 20.00 N ATOM 297 CA PHE A 12 -39.144 -2.471 10.517 1.00 20.00 C ATOM 298 C PHE A 12 -38.453 -1.779 9.351 1.00 20.00 C ATOM 299 O PHE A 12 -38.436 -2.285 8.229 1.00 20.00 O ATOM 300 CB PHE A 12 -40.604 -2.772 10.167 1.00 20.00 C ATOM 301 CG PHE A 12 -41.457 -1.541 9.998 1.00 20.00 C ATOM 302 CD1 PHE A 12 -42.054 -0.939 11.096 1.00 20.00 C ATOM 303 CD2 PHE A 12 -41.656 -0.983 8.744 1.00 20.00 C ATOM 304 CE1 PHE A 12 -42.830 0.192 10.947 1.00 20.00 C ATOM 305 CE2 PHE A 12 -42.430 0.149 8.592 1.00 20.00 C ATOM 306 CZ PHE A 12 -43.017 0.737 9.695 1.00 20.00 C ATOM 0 H PHE A 12 -39.881 -1.041 11.857 1.00 20.00 H new ATOM 0 HA PHE A 12 -38.627 -3.411 10.711 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -40.634 -3.353 9.245 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -41.034 -3.396 10.951 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -41.910 -1.361 12.080 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -41.200 -1.439 7.878 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -43.290 0.650 11.810 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -42.577 0.575 7.611 1.00 20.00 H new ATOM 0 HZ PHE A 12 -43.622 1.624 9.577 1.00 20.00 H new ATOM 316 N GLU A 13 -37.887 -0.620 9.632 1.00 20.00 N ATOM 317 CA GLU A 13 -37.190 0.159 8.629 1.00 20.00 C ATOM 318 C GLU A 13 -35.691 -0.103 8.726 1.00 20.00 C ATOM 319 O GLU A 13 -35.177 -0.393 9.804 1.00 20.00 O ATOM 320 CB GLU A 13 -37.504 1.645 8.820 1.00 20.00 C ATOM 321 CG GLU A 13 -36.952 2.547 7.730 1.00 20.00 C ATOM 322 CD GLU A 13 -37.521 3.948 7.805 1.00 20.00 C ATOM 323 OE1 GLU A 13 -36.977 4.784 8.559 1.00 20.00 O ATOM 324 OE2 GLU A 13 -38.525 4.219 7.115 1.00 20.00 O ATOM 0 H GLU A 13 -37.898 -0.194 10.559 1.00 20.00 H new ATOM 0 HA GLU A 13 -37.525 -0.136 7.635 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -38.585 1.772 8.867 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -37.103 1.968 9.780 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -35.866 2.593 7.814 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -37.179 2.116 6.755 1.00 20.00 H new ATOM 331 N THR A 14 -35.004 -0.023 7.601 1.00 20.00 N ATOM 332 CA THR A 14 -33.589 -0.335 7.546 1.00 20.00 C ATOM 333 C THR A 14 -32.997 0.206 6.253 1.00 20.00 C ATOM 334 O THR A 14 -33.693 0.324 5.243 1.00 20.00 O ATOM 335 CB THR A 14 -33.358 -1.865 7.652 1.00 20.00 C ATOM 336 OG1 THR A 14 -31.971 -2.198 7.480 1.00 20.00 O ATOM 337 CG2 THR A 14 -34.192 -2.614 6.623 1.00 20.00 C ATOM 0 H THR A 14 -35.408 0.258 6.707 1.00 20.00 H new ATOM 0 HA THR A 14 -33.091 0.138 8.392 1.00 20.00 H new ATOM 0 HB THR A 14 -33.668 -2.169 8.652 1.00 20.00 H new ATOM 0 HG1 THR A 14 -31.415 -1.454 7.793 1.00 20.00 H new ATOM 0 HG21 THR A 14 -34.012 -3.685 6.718 1.00 20.00 H new ATOM 0 HG22 THR A 14 -35.249 -2.408 6.791 1.00 20.00 H new ATOM 0 HG23 THR A 14 -33.913 -2.287 5.621 1.00 20.00 H new ATOM 345 N ILE A 15 -31.727 0.567 6.298 1.00 20.00 N ATOM 346 CA ILE A 15 -31.039 1.090 5.137 1.00 20.00 C ATOM 347 C ILE A 15 -30.722 -0.053 4.177 1.00 20.00 C ATOM 348 O ILE A 15 -30.191 -1.091 4.574 1.00 20.00 O ATOM 349 CB ILE A 15 -29.740 1.838 5.537 1.00 20.00 C ATOM 350 CG1 ILE A 15 -30.053 3.155 6.261 1.00 20.00 C ATOM 351 CG2 ILE A 15 -28.872 2.109 4.320 1.00 20.00 C ATOM 352 CD1 ILE A 15 -30.615 2.991 7.659 1.00 20.00 C ATOM 0 H ILE A 15 -31.149 0.506 7.136 1.00 20.00 H new ATOM 0 HA ILE A 15 -31.692 1.810 4.643 1.00 20.00 H new ATOM 0 HB ILE A 15 -29.192 1.191 6.222 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -29.140 3.748 6.318 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -30.765 3.723 5.662 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -27.968 2.634 4.628 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -28.600 1.164 3.849 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -29.424 2.723 3.609 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -30.805 3.973 8.092 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -31.547 2.428 7.613 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -29.897 2.454 8.279 1.00 20.00 H new ATOM 364 N GLU A 16 -31.067 0.156 2.911 1.00 20.00 N ATOM 365 CA GLU A 16 -30.957 -0.871 1.880 1.00 20.00 C ATOM 366 C GLU A 16 -29.525 -1.371 1.734 1.00 20.00 C ATOM 367 O GLU A 16 -29.295 -2.541 1.425 1.00 20.00 O ATOM 368 CB GLU A 16 -31.457 -0.317 0.548 1.00 20.00 C ATOM 369 CG GLU A 16 -32.926 0.073 0.565 1.00 20.00 C ATOM 370 CD GLU A 16 -33.845 -1.120 0.727 1.00 20.00 C ATOM 371 OE1 GLU A 16 -34.036 -1.588 1.868 1.00 20.00 O ATOM 372 OE2 GLU A 16 -34.394 -1.588 -0.293 1.00 20.00 O ATOM 0 H GLU A 16 -31.432 1.045 2.569 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.573 -1.718 2.180 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.861 0.555 0.280 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -31.297 -1.064 -0.230 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -33.102 0.775 1.380 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -33.171 0.592 -0.362 1.00 20.00 H new ATOM 379 N GLN A 17 -28.567 -0.482 1.971 1.00 20.00 N ATOM 380 CA GLN A 17 -27.153 -0.828 1.881 1.00 20.00 C ATOM 381 C GLN A 17 -26.782 -1.874 2.931 1.00 20.00 C ATOM 382 O GLN A 17 -25.888 -2.696 2.714 1.00 20.00 O ATOM 383 CB GLN A 17 -26.279 0.422 2.043 1.00 20.00 C ATOM 384 CG GLN A 17 -26.517 1.477 0.971 1.00 20.00 C ATOM 385 CD GLN A 17 -25.660 2.714 1.157 1.00 20.00 C ATOM 386 OE1 GLN A 17 -25.293 3.067 2.277 1.00 20.00 O ATOM 387 NE2 GLN A 17 -25.345 3.392 0.062 1.00 20.00 N ATOM 0 H GLN A 17 -28.745 0.489 2.228 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.972 -1.253 0.894 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.468 0.862 3.022 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.230 0.126 2.023 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.313 1.044 -0.008 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -27.568 1.765 0.980 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -25.668 3.067 -0.849 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.779 4.238 0.131 1.00 20.00 H new ATOM 396 N GLU A 18 -27.488 -1.848 4.060 1.00 20.00 N ATOM 397 CA GLU A 18 -27.273 -2.823 5.123 1.00 20.00 C ATOM 398 C GLU A 18 -27.802 -4.179 4.685 1.00 20.00 C ATOM 399 O GLU A 18 -27.201 -5.218 4.953 1.00 20.00 O ATOM 400 CB GLU A 18 -28.002 -2.405 6.406 1.00 20.00 C ATOM 401 CG GLU A 18 -27.759 -0.970 6.830 1.00 20.00 C ATOM 402 CD GLU A 18 -28.585 -0.585 8.043 1.00 20.00 C ATOM 403 OE1 GLU A 18 -29.831 -0.558 7.948 1.00 20.00 O ATOM 404 OE2 GLU A 18 -27.991 -0.304 9.103 1.00 20.00 O ATOM 0 H GLU A 18 -28.214 -1.161 4.261 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.203 -2.877 5.322 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -29.073 -2.552 6.264 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.694 -3.067 7.216 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.701 -0.833 7.054 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.999 -0.302 6.002 1.00 20.00 H new ATOM 411 N ASN A 19 -28.925 -4.149 3.980 1.00 20.00 N ATOM 412 CA ASN A 19 -29.628 -5.369 3.598 1.00 20.00 C ATOM 413 C ASN A 19 -28.861 -6.112 2.518 1.00 20.00 C ATOM 414 O ASN A 19 -28.857 -7.341 2.484 1.00 20.00 O ATOM 415 CB ASN A 19 -31.054 -5.060 3.122 1.00 20.00 C ATOM 416 CG ASN A 19 -31.965 -4.562 4.235 1.00 20.00 C ATOM 417 OD1 ASN A 19 -33.165 -4.831 4.233 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.410 -3.831 5.188 1.00 20.00 N ATOM 0 H ASN A 19 -29.371 -3.290 3.659 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.695 -6.006 4.480 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.012 -4.309 2.333 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.486 -5.959 2.683 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.981 -3.471 5.953 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -30.411 -3.627 5.158 1.00 20.00 H new ATOM 425 N SER A 20 -28.191 -5.364 1.650 1.00 20.00 N ATOM 426 CA SER A 20 -27.366 -5.967 0.613 1.00 20.00 C ATOM 427 C SER A 20 -26.205 -6.736 1.242 1.00 20.00 C ATOM 428 O SER A 20 -25.778 -7.770 0.727 1.00 20.00 O ATOM 429 CB SER A 20 -26.842 -4.889 -0.334 1.00 20.00 C ATOM 430 OG SER A 20 -27.902 -4.071 -0.804 1.00 20.00 O ATOM 0 H SER A 20 -28.203 -4.344 1.644 1.00 20.00 H new ATOM 0 HA SER A 20 -27.975 -6.667 0.041 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.103 -4.274 0.181 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.335 -5.356 -1.179 1.00 20.00 H new ATOM 0 HG SER A 20 -28.210 -3.487 -0.080 1.00 20.00 H new ATOM 436 N TYR A 21 -25.715 -6.237 2.370 1.00 20.00 N ATOM 437 CA TYR A 21 -24.640 -6.904 3.090 1.00 20.00 C ATOM 438 C TYR A 21 -25.204 -8.049 3.925 1.00 20.00 C ATOM 439 O TYR A 21 -24.576 -9.097 4.064 1.00 20.00 O ATOM 440 CB TYR A 21 -23.887 -5.910 3.979 1.00 20.00 C ATOM 441 CG TYR A 21 -22.640 -6.490 4.613 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.632 -7.033 3.825 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.464 -6.489 5.991 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.488 -7.559 4.391 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.322 -7.013 6.565 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.338 -7.547 5.760 1.00 20.00 C ATOM 447 OH TYR A 21 -19.195 -8.068 6.324 1.00 20.00 O ATOM 0 H TYR A 21 -26.045 -5.375 2.804 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.935 -7.312 2.366 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.611 -5.039 3.384 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.555 -5.560 4.765 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.746 -7.044 2.751 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.233 -6.072 6.624 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.715 -7.978 3.764 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.201 -7.004 7.638 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.243 -7.983 7.299 1.00 20.00 H new ATOM 457 N ASN A 22 -26.398 -7.839 4.468 1.00 20.00 N ATOM 458 CA ASN A 22 -27.109 -8.873 5.218 1.00 20.00 C ATOM 459 C ASN A 22 -27.320 -10.095 4.333 1.00 20.00 C ATOM 460 O ASN A 22 -27.050 -11.225 4.741 1.00 20.00 O ATOM 461 CB ASN A 22 -28.464 -8.321 5.705 1.00 20.00 C ATOM 462 CG ASN A 22 -29.237 -9.244 6.649 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.966 -8.768 7.518 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.109 -10.555 6.494 1.00 20.00 N ATOM 0 H ASN A 22 -26.900 -6.953 4.403 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.517 -9.166 6.085 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.292 -7.371 6.211 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.087 -8.111 4.836 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.621 -11.193 7.103 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -28.498 -10.925 5.766 1.00 20.00 H new ATOM 471 N GLU A 23 -27.794 -9.853 3.120 1.00 20.00 N ATOM 472 CA GLU A 23 -28.085 -10.919 2.178 1.00 20.00 C ATOM 473 C GLU A 23 -26.809 -11.676 1.817 1.00 20.00 C ATOM 474 O GLU A 23 -26.821 -12.898 1.656 1.00 20.00 O ATOM 475 CB GLU A 23 -28.744 -10.334 0.925 1.00 20.00 C ATOM 476 CG GLU A 23 -29.363 -11.374 0.009 1.00 20.00 C ATOM 477 CD GLU A 23 -30.459 -12.170 0.686 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.591 -11.658 0.808 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.199 -13.319 1.095 1.00 20.00 O ATOM 0 H GLU A 23 -27.986 -8.917 2.764 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.775 -11.625 2.640 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.516 -9.628 1.230 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.998 -9.769 0.365 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.770 -10.879 -0.873 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -28.586 -12.055 -0.338 1.00 20.00 H new ATOM 486 N TRP A 24 -25.703 -10.949 1.707 1.00 20.00 N ATOM 487 CA TRP A 24 -24.422 -11.566 1.395 1.00 20.00 C ATOM 488 C TRP A 24 -23.885 -12.347 2.592 1.00 20.00 C ATOM 489 O TRP A 24 -23.456 -13.490 2.446 1.00 20.00 O ATOM 490 CB TRP A 24 -23.400 -10.518 0.947 1.00 20.00 C ATOM 491 CG TRP A 24 -22.058 -11.111 0.635 1.00 20.00 C ATOM 492 CD1 TRP A 24 -20.884 -10.882 1.293 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.758 -12.048 -0.407 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.874 -11.618 0.724 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.385 -12.342 -0.322 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.519 -12.668 -1.402 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.757 -13.226 -1.194 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -21.893 -13.544 -2.268 1.00 20.00 C ATOM 499 CH2 TRP A 24 -20.525 -13.817 -2.158 1.00 20.00 C ATOM 0 H TRP A 24 -25.668 -9.937 1.829 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.584 -12.262 0.572 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.778 -10.002 0.064 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.288 -9.769 1.730 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.767 -10.219 2.137 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -18.901 -11.625 1.030 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.576 -12.466 -1.492 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.701 -13.437 -1.112 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -22.470 -14.026 -3.043 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -20.067 -14.509 -2.849 1.00 20.00 H new ATOM 510 N LEU A 25 -23.932 -11.738 3.773 1.00 20.00 N ATOM 511 CA LEU A 25 -23.400 -12.359 4.982 1.00 20.00 C ATOM 512 C LEU A 25 -24.116 -13.674 5.279 1.00 20.00 C ATOM 513 O LEU A 25 -23.479 -14.689 5.567 1.00 20.00 O ATOM 514 CB LEU A 25 -23.542 -11.411 6.177 1.00 20.00 C ATOM 515 CG LEU A 25 -22.941 -11.922 7.491 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.423 -12.000 7.399 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.363 -11.036 8.653 1.00 20.00 C ATOM 0 H LEU A 25 -24.334 -10.812 3.919 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.343 -12.568 4.815 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.070 -10.462 5.925 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.601 -11.208 6.335 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.322 -12.928 7.670 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.020 -12.365 8.343 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.142 -12.682 6.596 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.020 -11.009 7.191 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.926 -11.415 9.577 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.016 -10.018 8.479 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.450 -11.039 8.737 1.00 20.00 H new ATOM 529 N ARG A 26 -25.439 -13.644 5.181 1.00 20.00 N ATOM 530 CA ARG A 26 -26.262 -14.812 5.464 1.00 20.00 C ATOM 531 C ARG A 26 -26.038 -15.904 4.419 1.00 20.00 C ATOM 532 O ARG A 26 -26.154 -17.093 4.715 1.00 20.00 O ATOM 533 CB ARG A 26 -27.740 -14.412 5.513 1.00 20.00 C ATOM 534 CG ARG A 26 -28.681 -15.556 5.863 1.00 20.00 C ATOM 535 CD ARG A 26 -30.136 -15.113 5.840 1.00 20.00 C ATOM 536 NE ARG A 26 -30.556 -14.664 4.511 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.817 -14.382 4.182 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.784 -14.496 5.084 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.111 -13.974 2.952 1.00 20.00 N ATOM 0 H ARG A 26 -25.968 -12.817 4.905 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.971 -15.212 6.435 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.866 -13.615 6.246 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.027 -14.003 4.544 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.538 -16.374 5.157 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.433 -15.942 6.852 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.771 -15.939 6.160 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.279 -14.305 6.557 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.840 -14.561 3.792 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.564 -14.800 6.032 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.748 -14.279 4.829 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.371 -13.876 2.257 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.077 -13.759 2.703 1.00 20.00 H new ATOM 553 N ALA A 27 -25.703 -15.495 3.201 1.00 20.00 N ATOM 554 CA ALA A 27 -25.460 -16.440 2.119 1.00 20.00 C ATOM 555 C ALA A 27 -24.051 -17.006 2.208 1.00 20.00 C ATOM 556 O ALA A 27 -23.802 -18.149 1.834 1.00 20.00 O ATOM 557 CB ALA A 27 -25.671 -15.777 0.769 1.00 20.00 C ATOM 0 H ALA A 27 -25.594 -14.515 2.938 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.173 -17.259 2.220 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -25.484 -16.500 -0.025 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.697 -15.416 0.697 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.983 -14.938 0.664 1.00 20.00 H new ATOM 563 N LYS A 28 -23.133 -16.188 2.696 1.00 20.00 N ATOM 564 CA LYS A 28 -21.749 -16.601 2.845 1.00 20.00 C ATOM 565 C LYS A 28 -21.619 -17.569 4.016 1.00 20.00 C ATOM 566 O LYS A 28 -21.389 -18.761 3.820 1.00 20.00 O ATOM 567 CB LYS A 28 -20.847 -15.371 3.044 1.00 20.00 C ATOM 568 CG LYS A 28 -19.359 -15.674 3.219 1.00 20.00 C ATOM 569 CD LYS A 28 -18.703 -16.158 1.929 1.00 20.00 C ATOM 570 CE LYS A 28 -18.732 -17.677 1.793 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.914 -18.345 2.841 1.00 20.00 N ATOM 0 H LYS A 28 -23.323 -15.232 2.996 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.428 -17.114 1.938 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.968 -14.710 2.186 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.195 -14.824 3.920 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -18.848 -14.777 3.568 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.235 -16.432 3.992 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.213 -15.710 1.076 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -17.669 -15.813 1.899 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -19.762 -18.027 1.859 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.361 -17.960 0.808 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -17.635 -19.292 2.513 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.062 -17.779 3.029 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -18.472 -18.432 3.714 1.00 20.00 H new ATOM 585 N VAL A 29 -21.763 -17.059 5.229 1.00 20.00 N ATOM 586 CA VAL A 29 -21.730 -17.902 6.408 1.00 20.00 C ATOM 587 C VAL A 29 -23.137 -18.112 6.984 1.00 20.00 C ATOM 588 O VAL A 29 -23.707 -19.201 6.861 1.00 20.00 O ATOM 589 CB VAL A 29 -20.740 -17.365 7.481 1.00 20.00 C ATOM 590 CG1 VAL A 29 -20.984 -15.897 7.817 1.00 20.00 C ATOM 591 CG2 VAL A 29 -20.789 -18.224 8.735 1.00 20.00 C ATOM 0 H VAL A 29 -21.903 -16.067 5.420 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.356 -18.877 6.097 1.00 20.00 H new ATOM 0 HB VAL A 29 -19.740 -17.428 7.052 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -20.267 -15.572 8.571 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -20.864 -15.293 6.918 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -21.996 -15.776 8.203 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -20.089 -17.831 9.473 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -21.798 -18.208 9.148 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -20.515 -19.249 8.485 1.00 20.00 H new ATOM 601 N ALA A 30 -23.701 -17.048 7.554 1.00 20.00 N ATOM 602 CA ALA A 30 -24.967 -17.095 8.274 1.00 20.00 C ATOM 603 C ALA A 30 -25.208 -15.750 8.955 1.00 20.00 C ATOM 604 O ALA A 30 -24.516 -14.776 8.654 1.00 20.00 O ATOM 605 CB ALA A 30 -24.957 -18.208 9.316 1.00 20.00 C ATOM 0 H ALA A 30 -23.283 -16.118 7.527 1.00 20.00 H new ATOM 0 HA ALA A 30 -25.769 -17.300 7.564 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -25.912 -18.224 9.841 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -24.798 -19.167 8.823 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -24.153 -18.030 10.031 1.00 20.00 H new ATOM 611 N THR A 31 -26.181 -15.711 9.866 1.00 20.00 N ATOM 612 CA THR A 31 -26.478 -14.519 10.664 1.00 20.00 C ATOM 613 C THR A 31 -27.224 -13.456 9.848 1.00 20.00 C ATOM 614 O THR A 31 -26.829 -13.112 8.733 1.00 20.00 O ATOM 615 CB THR A 31 -25.195 -13.904 11.273 1.00 20.00 C ATOM 616 OG1 THR A 31 -24.491 -14.893 12.041 1.00 20.00 O ATOM 617 CG2 THR A 31 -25.529 -12.717 12.167 1.00 20.00 C ATOM 0 H THR A 31 -26.787 -16.505 10.072 1.00 20.00 H new ATOM 0 HA THR A 31 -27.126 -14.848 11.476 1.00 20.00 H new ATOM 0 HB THR A 31 -24.566 -13.559 10.453 1.00 20.00 H new ATOM 0 HG1 THR A 31 -23.680 -14.496 12.421 1.00 20.00 H new ATOM 0 HG21 THR A 31 -24.610 -12.304 12.582 1.00 20.00 H new ATOM 0 HG22 THR A 31 -26.038 -11.952 11.581 1.00 20.00 H new ATOM 0 HG23 THR A 31 -26.178 -13.044 12.979 1.00 20.00 H new ATOM 625 N SER A 32 -28.305 -12.929 10.414 1.00 20.00 N ATOM 626 CA SER A 32 -29.081 -11.880 9.764 1.00 20.00 C ATOM 627 C SER A 32 -28.453 -10.506 10.012 1.00 20.00 C ATOM 628 O SER A 32 -29.128 -9.570 10.449 1.00 20.00 O ATOM 629 CB SER A 32 -30.524 -11.912 10.273 1.00 20.00 C ATOM 630 OG SER A 32 -30.560 -11.943 11.692 1.00 20.00 O ATOM 0 H SER A 32 -28.664 -13.213 11.325 1.00 20.00 H new ATOM 0 HA SER A 32 -29.081 -12.059 8.689 1.00 20.00 H new ATOM 0 HB2 SER A 32 -31.061 -11.036 9.911 1.00 20.00 H new ATOM 0 HB3 SER A 32 -31.036 -12.787 9.873 1.00 20.00 H new ATOM 0 HG SER A 32 -31.432 -12.277 11.990 1.00 20.00 H new ATOM 636 N LEU A 33 -27.155 -10.411 9.723 1.00 20.00 N ATOM 637 CA LEU A 33 -26.376 -9.182 9.902 1.00 20.00 C ATOM 638 C LEU A 33 -26.269 -8.790 11.376 1.00 20.00 C ATOM 639 O LEU A 33 -25.260 -9.067 12.025 1.00 20.00 O ATOM 640 CB LEU A 33 -26.971 -8.027 9.084 1.00 20.00 C ATOM 641 CG LEU A 33 -26.213 -6.697 9.172 1.00 20.00 C ATOM 642 CD1 LEU A 33 -24.806 -6.836 8.615 1.00 20.00 C ATOM 643 CD2 LEU A 33 -26.970 -5.603 8.437 1.00 20.00 C ATOM 0 H LEU A 33 -26.609 -11.190 9.355 1.00 20.00 H new ATOM 0 HA LEU A 33 -25.370 -9.384 9.535 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -27.016 -8.331 8.038 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -27.997 -7.863 9.413 1.00 20.00 H new ATOM 0 HG LEU A 33 -26.136 -6.420 10.223 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -24.289 -5.879 8.689 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -24.261 -7.588 9.186 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -24.857 -7.141 7.570 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -26.418 -4.666 8.510 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -27.080 -5.879 7.388 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -27.956 -5.479 8.885 1.00 20.00 H new ATOM 655 N ALA A 34 -27.312 -8.167 11.902 1.00 20.00 N ATOM 656 CA ALA A 34 -27.282 -7.628 13.250 1.00 20.00 C ATOM 657 C ALA A 34 -28.685 -7.296 13.730 1.00 20.00 C ATOM 658 O ALA A 34 -29.664 -7.506 13.012 1.00 20.00 O ATOM 659 CB ALA A 34 -26.413 -6.382 13.284 1.00 20.00 C ATOM 0 H ALA A 34 -28.194 -8.022 11.411 1.00 20.00 H new ATOM 0 HA ALA A 34 -26.862 -8.381 13.916 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -26.393 -5.980 14.297 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -25.399 -6.637 12.974 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -26.823 -5.634 12.605 1.00 20.00 H new ATOM 665 N ASP A 35 -28.765 -6.781 14.947 1.00 20.00 N ATOM 666 CA ASP A 35 -30.029 -6.345 15.529 1.00 20.00 C ATOM 667 C ASP A 35 -30.099 -4.819 15.463 1.00 20.00 C ATOM 668 O ASP A 35 -29.548 -4.129 16.325 1.00 20.00 O ATOM 669 CB ASP A 35 -30.125 -6.823 16.985 1.00 20.00 C ATOM 670 CG ASP A 35 -31.512 -6.675 17.592 1.00 20.00 C ATOM 671 OD1 ASP A 35 -32.223 -5.701 17.269 1.00 20.00 O ATOM 672 OD2 ASP A 35 -31.881 -7.526 18.431 1.00 20.00 O ATOM 0 H ASP A 35 -27.959 -6.653 15.559 1.00 20.00 H new ATOM 0 HA ASP A 35 -30.863 -6.772 14.972 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -29.828 -7.871 17.034 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -29.413 -6.261 17.589 1.00 20.00 H new ATOM 677 N PRO A 36 -30.743 -4.273 14.417 1.00 20.00 N ATOM 678 CA PRO A 36 -30.778 -2.830 14.177 1.00 20.00 C ATOM 679 C PRO A 36 -31.740 -2.102 15.108 1.00 20.00 C ATOM 680 O PRO A 36 -32.952 -2.339 15.077 1.00 20.00 O ATOM 681 CB PRO A 36 -31.256 -2.729 12.727 1.00 20.00 C ATOM 682 CG PRO A 36 -32.080 -3.951 12.510 1.00 20.00 C ATOM 683 CD PRO A 36 -31.494 -5.024 13.393 1.00 20.00 C ATOM 0 HA PRO A 36 -29.809 -2.364 14.359 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -31.841 -1.824 12.566 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -30.415 -2.692 12.035 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -33.123 -3.766 12.765 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -32.056 -4.254 11.463 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -32.273 -5.641 13.842 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -30.842 -5.692 12.830 1.00 20.00 H new ATOM 691 N ARG A 37 -31.203 -1.219 15.941 1.00 20.00 N ATOM 692 CA ARG A 37 -32.031 -0.457 16.866 1.00 20.00 C ATOM 693 C ARG A 37 -31.649 1.022 16.879 1.00 20.00 C ATOM 694 O ARG A 37 -31.145 1.528 17.884 1.00 20.00 O ATOM 695 CB ARG A 37 -31.908 -1.022 18.280 1.00 20.00 C ATOM 696 CG ARG A 37 -32.179 -2.510 18.370 1.00 20.00 C ATOM 697 CD ARG A 37 -32.009 -3.015 19.785 1.00 20.00 C ATOM 698 NE ARG A 37 -32.046 -4.469 19.844 1.00 20.00 N ATOM 699 CZ ARG A 37 -31.723 -5.172 20.923 1.00 20.00 C ATOM 700 NH1 ARG A 37 -31.378 -4.555 22.046 1.00 20.00 N ATOM 701 NH2 ARG A 37 -31.745 -6.492 20.877 1.00 20.00 N ATOM 0 H ARG A 37 -30.205 -1.014 15.995 1.00 20.00 H new ATOM 0 HA ARG A 37 -33.062 -0.543 16.523 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -30.904 -0.822 18.655 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -32.604 -0.495 18.933 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -33.192 -2.719 18.026 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -31.501 -3.046 17.706 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -31.061 -2.658 20.188 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -32.798 -2.605 20.415 1.00 20.00 H new ATOM 0 HE ARG A 37 -32.337 -4.977 19.009 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -31.360 -3.536 22.083 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -31.131 -5.100 22.872 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -32.010 -6.968 20.014 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -31.497 -7.035 21.704 1.00 20.00 H new ATOM 715 N PRO A 38 -31.874 1.743 15.767 1.00 20.00 N ATOM 716 CA PRO A 38 -31.708 3.194 15.732 1.00 20.00 C ATOM 717 C PRO A 38 -32.890 3.881 16.407 1.00 20.00 C ATOM 718 O PRO A 38 -32.828 5.053 16.786 1.00 20.00 O ATOM 719 CB PRO A 38 -31.666 3.534 14.233 1.00 20.00 C ATOM 720 CG PRO A 38 -31.703 2.223 13.508 1.00 20.00 C ATOM 721 CD PRO A 38 -32.290 1.222 14.462 1.00 20.00 C ATOM 0 HA PRO A 38 -30.814 3.528 16.259 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -32.513 4.159 13.951 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -30.763 4.091 13.985 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -32.307 2.297 12.604 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -30.702 1.923 13.199 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -33.375 1.167 14.375 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -31.904 0.218 14.284 1.00 20.00 H new ATOM 729 N ALA A 39 -33.966 3.118 16.547 1.00 20.00 N ATOM 730 CA ALA A 39 -35.172 3.569 17.213 1.00 20.00 C ATOM 731 C ALA A 39 -35.021 3.465 18.722 1.00 20.00 C ATOM 732 O ALA A 39 -34.089 2.829 19.222 1.00 20.00 O ATOM 733 CB ALA A 39 -36.353 2.732 16.748 1.00 20.00 C ATOM 0 H ALA A 39 -34.023 2.162 16.197 1.00 20.00 H new ATOM 0 HA ALA A 39 -35.346 4.614 16.957 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -37.259 3.072 17.249 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -36.473 2.839 15.670 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -36.175 1.685 16.991 1.00 20.00 H new ATOM 739 N ILE A 40 -35.933 4.097 19.443 1.00 20.00 N ATOM 740 CA ILE A 40 -35.947 4.022 20.894 1.00 20.00 C ATOM 741 C ILE A 40 -36.380 2.627 21.331 1.00 20.00 C ATOM 742 O ILE A 40 -37.442 2.149 20.931 1.00 20.00 O ATOM 743 CB ILE A 40 -36.894 5.079 21.522 1.00 20.00 C ATOM 744 CG1 ILE A 40 -36.354 6.502 21.321 1.00 20.00 C ATOM 745 CG2 ILE A 40 -37.101 4.806 23.005 1.00 20.00 C ATOM 746 CD1 ILE A 40 -36.488 7.030 19.911 1.00 20.00 C ATOM 0 H ILE A 40 -36.676 4.670 19.044 1.00 20.00 H new ATOM 0 HA ILE A 40 -34.936 4.230 21.245 1.00 20.00 H new ATOM 0 HB ILE A 40 -37.854 5.002 21.012 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -36.879 7.175 21.999 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -35.302 6.521 21.604 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -37.768 5.559 23.424 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -37.542 3.818 23.135 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -36.141 4.845 23.520 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -36.082 8.040 19.861 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -35.939 6.383 19.227 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -37.540 7.048 19.628 1.00 20.00 H new ATOM 758 N PRO A 41 -35.552 1.949 22.141 1.00 20.00 N ATOM 759 CA PRO A 41 -35.861 0.606 22.632 1.00 20.00 C ATOM 760 C PRO A 41 -37.044 0.610 23.597 1.00 20.00 C ATOM 761 O PRO A 41 -37.001 1.254 24.648 1.00 20.00 O ATOM 762 CB PRO A 41 -34.580 0.175 23.355 1.00 20.00 C ATOM 763 CG PRO A 41 -33.886 1.445 23.704 1.00 20.00 C ATOM 764 CD PRO A 41 -34.253 2.437 22.635 1.00 20.00 C ATOM 0 HA PRO A 41 -36.147 -0.067 21.824 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -34.808 -0.408 24.247 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -33.958 -0.451 22.716 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -34.197 1.800 24.687 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -32.807 1.299 23.745 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -34.330 3.448 23.036 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -33.507 2.465 21.841 1.00 20.00 H new ATOM 772 N HIS A 42 -38.099 -0.118 23.240 1.00 20.00 N ATOM 773 CA HIS A 42 -39.297 -0.198 24.078 1.00 20.00 C ATOM 774 C HIS A 42 -39.000 -0.934 25.381 1.00 20.00 C ATOM 775 O HIS A 42 -39.813 -0.948 26.301 1.00 20.00 O ATOM 776 CB HIS A 42 -40.453 -0.885 23.331 1.00 20.00 C ATOM 777 CG HIS A 42 -40.164 -2.288 22.885 1.00 20.00 C ATOM 778 ND1 HIS A 42 -39.815 -2.608 21.590 1.00 20.00 N ATOM 779 CD2 HIS A 42 -40.182 -3.458 23.566 1.00 20.00 C ATOM 780 CE1 HIS A 42 -39.633 -3.911 21.495 1.00 20.00 C ATOM 781 NE2 HIS A 42 -39.848 -4.447 22.679 1.00 20.00 N ATOM 0 H HIS A 42 -38.151 -0.661 22.378 1.00 20.00 H new ATOM 0 HA HIS A 42 -39.602 0.821 24.316 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -41.330 -0.897 23.978 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -40.710 -0.286 22.457 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -40.416 -3.587 24.612 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -39.355 -4.447 20.599 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -39.777 -5.440 22.900 1.00 20.00 H new ATOM 790 N ASP A 43 -37.823 -1.541 25.449 1.00 20.00 N ATOM 791 CA ASP A 43 -37.386 -2.248 26.645 1.00 20.00 C ATOM 792 C ASP A 43 -37.240 -1.275 27.807 1.00 20.00 C ATOM 793 O ASP A 43 -37.437 -1.635 28.966 1.00 20.00 O ATOM 794 CB ASP A 43 -36.056 -2.954 26.389 1.00 20.00 C ATOM 795 CG ASP A 43 -36.082 -3.779 25.122 1.00 20.00 C ATOM 796 OD1 ASP A 43 -35.899 -3.191 24.034 1.00 20.00 O ATOM 797 OD2 ASP A 43 -36.288 -5.008 25.208 1.00 20.00 O ATOM 0 H ASP A 43 -37.149 -1.558 24.683 1.00 20.00 H new ATOM 0 HA ASP A 43 -38.138 -2.995 26.899 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -35.260 -2.212 26.321 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -35.820 -3.599 27.236 1.00 20.00 H new ATOM 802 N GLU A 44 -36.917 -0.029 27.482 1.00 20.00 N ATOM 803 CA GLU A 44 -36.787 1.017 28.483 1.00 20.00 C ATOM 804 C GLU A 44 -38.164 1.353 29.059 1.00 20.00 C ATOM 805 O GLU A 44 -38.297 1.740 30.220 1.00 20.00 O ATOM 806 CB GLU A 44 -36.144 2.257 27.856 1.00 20.00 C ATOM 807 CG GLU A 44 -35.729 3.315 28.863 1.00 20.00 C ATOM 808 CD GLU A 44 -34.694 2.810 29.849 1.00 20.00 C ATOM 809 OE1 GLU A 44 -33.570 2.466 29.420 1.00 20.00 O ATOM 810 OE2 GLU A 44 -34.997 2.758 31.059 1.00 20.00 O ATOM 0 H GLU A 44 -36.740 0.281 26.526 1.00 20.00 H new ATOM 0 HA GLU A 44 -36.147 0.669 29.294 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -35.267 1.950 27.286 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -36.846 2.699 27.149 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -35.328 4.179 28.332 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -36.609 3.656 29.409 1.00 20.00 H new ATOM 817 N VAL A 45 -39.187 1.173 28.233 1.00 20.00 N ATOM 818 CA VAL A 45 -40.566 1.360 28.656 1.00 20.00 C ATOM 819 C VAL A 45 -40.973 0.234 29.600 1.00 20.00 C ATOM 820 O VAL A 45 -41.662 0.459 30.600 1.00 20.00 O ATOM 821 CB VAL A 45 -41.521 1.403 27.444 1.00 20.00 C ATOM 822 CG1 VAL A 45 -42.963 1.582 27.886 1.00 20.00 C ATOM 823 CG2 VAL A 45 -41.115 2.516 26.496 1.00 20.00 C ATOM 0 H VAL A 45 -39.084 0.895 27.257 1.00 20.00 H new ATOM 0 HA VAL A 45 -40.637 2.315 29.176 1.00 20.00 H new ATOM 0 HB VAL A 45 -41.448 0.449 26.921 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -43.611 1.609 27.010 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -43.253 0.750 28.527 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -43.061 2.517 28.438 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -41.796 2.536 25.645 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -41.158 3.472 27.018 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -40.099 2.341 26.143 1.00 20.00 H new ATOM 833 N GLU A 46 -40.523 -0.977 29.279 1.00 20.00 N ATOM 834 CA GLU A 46 -40.711 -2.133 30.156 1.00 20.00 C ATOM 835 C GLU A 46 -40.153 -1.830 31.541 1.00 20.00 C ATOM 836 O GLU A 46 -40.774 -2.143 32.554 1.00 20.00 O ATOM 837 CB GLU A 46 -40.010 -3.376 29.592 1.00 20.00 C ATOM 838 CG GLU A 46 -40.449 -3.755 28.186 1.00 20.00 C ATOM 839 CD GLU A 46 -41.842 -4.347 28.147 1.00 20.00 C ATOM 840 OE1 GLU A 46 -42.824 -3.576 28.153 1.00 20.00 O ATOM 841 OE2 GLU A 46 -41.962 -5.590 28.107 1.00 20.00 O ATOM 0 H GLU A 46 -40.023 -1.185 28.414 1.00 20.00 H new ATOM 0 HA GLU A 46 -41.780 -2.334 30.221 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -38.934 -3.203 29.590 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -40.196 -4.218 30.258 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -40.417 -2.871 27.549 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -39.742 -4.473 27.770 1.00 20.00 H new ATOM 848 N ARG A 47 -38.981 -1.200 31.564 1.00 20.00 N ATOM 849 CA ARG A 47 -38.320 -0.836 32.815 1.00 20.00 C ATOM 850 C ARG A 47 -39.167 0.153 33.603 1.00 20.00 C ATOM 851 O ARG A 47 -39.290 0.051 34.822 1.00 20.00 O ATOM 852 CB ARG A 47 -36.946 -0.215 32.540 1.00 20.00 C ATOM 853 CG ARG A 47 -36.043 -1.064 31.661 1.00 20.00 C ATOM 854 CD ARG A 47 -35.814 -2.444 32.248 1.00 20.00 C ATOM 855 NE ARG A 47 -34.972 -3.269 31.389 1.00 20.00 N ATOM 856 CZ ARG A 47 -34.431 -4.424 31.765 1.00 20.00 C ATOM 857 NH1 ARG A 47 -34.629 -4.884 32.993 1.00 20.00 N ATOM 858 NH2 ARG A 47 -33.690 -5.119 30.911 1.00 20.00 N ATOM 0 H ARG A 47 -38.467 -0.930 30.726 1.00 20.00 H new ATOM 0 HA ARG A 47 -38.193 -1.747 33.400 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -37.087 0.756 32.066 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -36.444 -0.035 33.491 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -36.488 -1.160 30.670 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -35.085 -0.561 31.533 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -35.348 -2.348 33.229 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -36.774 -2.938 32.398 1.00 20.00 H new ATOM 0 HE ARG A 47 -34.787 -2.940 30.442 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -35.197 -4.352 33.652 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -34.213 -5.770 33.279 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -33.535 -4.767 29.966 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -33.275 -6.005 31.200 1.00 20.00 H new ATOM 872 N ARG A 48 -39.758 1.105 32.894 1.00 20.00 N ATOM 873 CA ARG A 48 -40.548 2.154 33.526 1.00 20.00 C ATOM 874 C ARG A 48 -41.817 1.583 34.153 1.00 20.00 C ATOM 875 O ARG A 48 -42.215 1.980 35.247 1.00 20.00 O ATOM 876 CB ARG A 48 -40.912 3.237 32.506 1.00 20.00 C ATOM 877 CG ARG A 48 -41.634 4.430 33.117 1.00 20.00 C ATOM 878 CD ARG A 48 -42.052 5.441 32.062 1.00 20.00 C ATOM 879 NE ARG A 48 -42.698 6.608 32.659 1.00 20.00 N ATOM 880 CZ ARG A 48 -43.567 7.389 32.025 1.00 20.00 C ATOM 881 NH1 ARG A 48 -43.928 7.115 30.777 1.00 20.00 N ATOM 882 NH2 ARG A 48 -44.084 8.443 32.648 1.00 20.00 N ATOM 0 H ARG A 48 -39.705 1.173 31.878 1.00 20.00 H new ATOM 0 HA ARG A 48 -39.943 2.598 34.317 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -40.002 3.585 32.017 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -41.542 2.799 31.732 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -42.515 4.083 33.657 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -40.984 4.914 33.846 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -41.177 5.759 31.496 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -42.734 4.969 31.355 1.00 20.00 H new ATOM 0 HE ARG A 48 -42.467 6.838 33.625 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -43.538 6.302 30.300 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -44.595 7.718 30.295 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -43.814 8.650 33.609 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -44.751 9.045 32.165 1.00 20.00 H new ATOM 896 N MET A 49 -42.440 0.639 33.465 1.00 20.00 N ATOM 897 CA MET A 49 -43.700 0.067 33.928 1.00 20.00 C ATOM 898 C MET A 49 -43.467 -1.033 34.956 1.00 20.00 C ATOM 899 O MET A 49 -44.358 -1.351 35.743 1.00 20.00 O ATOM 900 CB MET A 49 -44.499 -0.494 32.750 1.00 20.00 C ATOM 901 CG MET A 49 -44.931 0.555 31.739 1.00 20.00 C ATOM 902 SD MET A 49 -45.939 -0.131 30.408 1.00 20.00 S ATOM 903 CE MET A 49 -44.846 -1.398 29.766 1.00 20.00 C ATOM 0 H MET A 49 -42.097 0.252 32.586 1.00 20.00 H new ATOM 0 HA MET A 49 -44.268 0.868 34.402 1.00 20.00 H new ATOM 0 HB2 MET A 49 -43.897 -1.247 32.242 1.00 20.00 H new ATOM 0 HB3 MET A 49 -45.385 -1.000 33.134 1.00 20.00 H new ATOM 0 HG2 MET A 49 -45.494 1.336 32.250 1.00 20.00 H new ATOM 0 HG3 MET A 49 -44.047 1.028 31.312 1.00 20.00 H new ATOM 0 HE1 MET A 49 -45.059 -1.561 28.710 1.00 20.00 H new ATOM 0 HE2 MET A 49 -43.810 -1.078 29.882 1.00 20.00 H new ATOM 0 HE3 MET A 49 -45.003 -2.326 30.316 1.00 20.00 H new ATOM 913 N ALA A 50 -42.266 -1.600 34.948 1.00 20.00 N ATOM 914 CA ALA A 50 -41.924 -2.719 35.824 1.00 20.00 C ATOM 915 C ALA A 50 -42.149 -2.387 37.294 1.00 20.00 C ATOM 916 O ALA A 50 -42.608 -3.228 38.067 1.00 20.00 O ATOM 917 CB ALA A 50 -40.481 -3.133 35.602 1.00 20.00 C ATOM 0 H ALA A 50 -41.505 -1.301 34.339 1.00 20.00 H new ATOM 0 HA ALA A 50 -42.587 -3.546 35.569 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -40.237 -3.967 36.260 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -40.345 -3.437 34.564 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -39.823 -2.292 35.823 1.00 20.00 H new ATOM 923 N GLU A 51 -41.835 -1.155 37.670 1.00 20.00 N ATOM 924 CA GLU A 51 -41.969 -0.719 39.056 1.00 20.00 C ATOM 925 C GLU A 51 -43.437 -0.624 39.475 1.00 20.00 C ATOM 926 O GLU A 51 -43.759 -0.698 40.659 1.00 20.00 O ATOM 927 CB GLU A 51 -41.258 0.619 39.271 1.00 20.00 C ATOM 928 CG GLU A 51 -41.792 1.754 38.415 1.00 20.00 C ATOM 929 CD GLU A 51 -41.047 3.049 38.645 1.00 20.00 C ATOM 930 OE1 GLU A 51 -40.003 3.262 37.994 1.00 20.00 O ATOM 931 OE2 GLU A 51 -41.507 3.865 39.468 1.00 20.00 O ATOM 0 H GLU A 51 -41.485 -0.438 37.035 1.00 20.00 H new ATOM 0 HA GLU A 51 -41.494 -1.470 39.687 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -41.345 0.899 40.321 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -40.196 0.491 39.062 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -41.719 1.478 37.363 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -42.850 1.903 38.632 1.00 20.00 H new ATOM 938 N ARG A 52 -44.326 -0.473 38.502 1.00 20.00 N ATOM 939 CA ARG A 52 -45.755 -0.451 38.781 1.00 20.00 C ATOM 940 C ARG A 52 -46.314 -1.866 38.772 1.00 20.00 C ATOM 941 O ARG A 52 -47.117 -2.234 39.630 1.00 20.00 O ATOM 942 CB ARG A 52 -46.509 0.418 37.771 1.00 20.00 C ATOM 943 CG ARG A 52 -46.247 1.910 37.909 1.00 20.00 C ATOM 944 CD ARG A 52 -47.222 2.724 37.068 1.00 20.00 C ATOM 945 NE ARG A 52 -47.032 2.513 35.633 1.00 20.00 N ATOM 946 CZ ARG A 52 -47.871 1.826 34.854 1.00 20.00 C ATOM 947 NH1 ARG A 52 -48.925 1.205 35.377 1.00 20.00 N ATOM 948 NH2 ARG A 52 -47.647 1.754 33.548 1.00 20.00 N ATOM 0 H ARG A 52 -44.084 -0.364 37.517 1.00 20.00 H new ATOM 0 HA ARG A 52 -45.895 -0.015 39.770 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -46.235 0.105 36.764 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -47.578 0.237 37.881 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -46.335 2.201 38.956 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -45.225 2.132 37.601 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -48.243 2.456 37.340 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -47.098 3.783 37.296 1.00 20.00 H new ATOM 0 HE ARG A 52 -46.203 2.918 35.198 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -49.098 1.251 36.381 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -49.560 0.683 34.774 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -46.836 2.222 33.143 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -48.285 1.230 32.949 1.00 20.00 H new ATOM 962 N PHE A 53 -45.863 -2.668 37.812 1.00 20.00 N ATOM 963 CA PHE A 53 -46.279 -4.064 37.716 1.00 20.00 C ATOM 964 C PHE A 53 -45.734 -4.880 38.883 1.00 20.00 C ATOM 965 O PHE A 53 -46.128 -6.029 39.084 1.00 20.00 O ATOM 966 CB PHE A 53 -45.822 -4.681 36.394 1.00 20.00 C ATOM 967 CG PHE A 53 -46.593 -4.199 35.199 1.00 20.00 C ATOM 968 CD1 PHE A 53 -47.976 -4.290 35.167 1.00 20.00 C ATOM 969 CD2 PHE A 53 -45.937 -3.662 34.103 1.00 20.00 C ATOM 970 CE1 PHE A 53 -48.688 -3.856 34.066 1.00 20.00 C ATOM 971 CE2 PHE A 53 -46.645 -3.225 33.000 1.00 20.00 C ATOM 972 CZ PHE A 53 -48.023 -3.321 32.981 1.00 20.00 C ATOM 0 H PHE A 53 -45.208 -2.374 37.088 1.00 20.00 H new ATOM 0 HA PHE A 53 -47.368 -4.084 37.755 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -44.765 -4.458 36.246 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -45.913 -5.765 36.460 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -48.503 -4.705 36.013 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -44.860 -3.584 34.111 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -49.765 -3.935 34.054 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -46.121 -2.808 32.153 1.00 20.00 H new ATOM 0 HZ PHE A 53 -48.578 -2.979 32.120 1.00 20.00 H new ATOM 982 N ALA A 54 -44.832 -4.275 39.646 1.00 20.00 N ATOM 983 CA ALA A 54 -44.283 -4.896 40.843 1.00 20.00 C ATOM 984 C ALA A 54 -45.384 -5.208 41.850 1.00 20.00 C ATOM 985 O ALA A 54 -45.257 -6.120 42.665 1.00 20.00 O ATOM 986 CB ALA A 54 -43.239 -3.988 41.471 1.00 20.00 C ATOM 0 H ALA A 54 -44.462 -3.344 39.453 1.00 20.00 H new ATOM 0 HA ALA A 54 -43.811 -5.835 40.554 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -42.835 -4.462 42.365 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -42.433 -3.812 40.758 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -43.699 -3.037 41.741 1.00 20.00 H new ATOM 992 N LYS A 55 -46.468 -4.452 41.784 1.00 20.00 N ATOM 993 CA LYS A 55 -47.608 -4.677 42.659 1.00 20.00 C ATOM 994 C LYS A 55 -48.451 -5.838 42.141 1.00 20.00 C ATOM 995 O LYS A 55 -48.995 -6.626 42.917 1.00 20.00 O ATOM 996 CB LYS A 55 -48.463 -3.413 42.743 1.00 20.00 C ATOM 997 CG LYS A 55 -47.690 -2.172 43.162 1.00 20.00 C ATOM 998 CD LYS A 55 -48.574 -0.942 43.126 1.00 20.00 C ATOM 999 CE LYS A 55 -47.805 0.317 43.492 1.00 20.00 C ATOM 1000 NZ LYS A 55 -48.659 1.529 43.407 1.00 20.00 N ATOM 0 H LYS A 55 -46.583 -3.676 41.132 1.00 20.00 H new ATOM 0 HA LYS A 55 -47.239 -4.925 43.654 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -48.922 -3.232 41.771 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -49.273 -3.581 43.452 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -47.293 -2.309 44.168 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -46.837 -2.030 42.499 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -49.001 -0.830 42.129 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -49.407 -1.073 43.817 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -47.410 0.221 44.503 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -46.950 0.427 42.825 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -48.099 2.367 43.664 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -49.015 1.635 42.436 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -49.461 1.435 44.062 1.00 20.00 H new ATOM 1014 N MET A 56 -48.537 -5.949 40.824 1.00 20.00 N ATOM 1015 CA MET A 56 -49.377 -6.956 40.191 1.00 20.00 C ATOM 1016 C MET A 56 -48.665 -8.302 40.113 1.00 20.00 C ATOM 1017 O MET A 56 -49.312 -9.346 40.074 1.00 20.00 O ATOM 1018 CB MET A 56 -49.801 -6.507 38.787 1.00 20.00 C ATOM 1019 CG MET A 56 -50.765 -5.326 38.769 1.00 20.00 C ATOM 1020 SD MET A 56 -50.027 -3.792 39.368 1.00 20.00 S ATOM 1021 CE MET A 56 -51.439 -2.691 39.306 1.00 20.00 C ATOM 0 H MET A 56 -48.033 -5.351 40.169 1.00 20.00 H new ATOM 0 HA MET A 56 -50.268 -7.074 40.808 1.00 20.00 H new ATOM 0 HB2 MET A 56 -48.910 -6.242 38.219 1.00 20.00 H new ATOM 0 HB3 MET A 56 -50.267 -7.349 38.275 1.00 20.00 H new ATOM 0 HG2 MET A 56 -51.124 -5.175 37.751 1.00 20.00 H new ATOM 0 HG3 MET A 56 -51.634 -5.566 39.381 1.00 20.00 H new ATOM 0 HE1 MET A 56 -51.142 -1.699 39.648 1.00 20.00 H new ATOM 0 HE2 MET A 56 -51.806 -2.627 38.282 1.00 20.00 H new ATOM 0 HE3 MET A 56 -52.229 -3.076 39.951 1.00 20.00 H new ATOM 1031 N ARG A 57 -47.333 -8.279 40.109 1.00 20.00 N ATOM 1032 CA ARG A 57 -46.550 -9.511 40.035 1.00 20.00 C ATOM 1033 C ARG A 57 -46.745 -10.340 41.298 1.00 20.00 C ATOM 1034 O ARG A 57 -46.504 -11.546 41.313 1.00 20.00 O ATOM 1035 CB ARG A 57 -45.059 -9.216 39.825 1.00 20.00 C ATOM 1036 CG ARG A 57 -44.370 -8.629 41.045 1.00 20.00 C ATOM 1037 CD ARG A 57 -42.891 -8.380 40.791 1.00 20.00 C ATOM 1038 NE ARG A 57 -42.228 -7.802 41.959 1.00 20.00 N ATOM 1039 CZ ARG A 57 -41.188 -6.971 41.892 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -40.707 -6.592 40.712 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -40.639 -6.511 43.008 1.00 20.00 N ATOM 0 H ARG A 57 -46.776 -7.426 40.156 1.00 20.00 H new ATOM 0 HA ARG A 57 -46.906 -10.079 39.176 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -44.552 -10.139 39.543 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -44.950 -8.524 38.990 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -44.854 -7.692 41.321 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -44.485 -9.308 41.890 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -42.405 -9.319 40.525 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -42.777 -7.709 39.939 1.00 20.00 H new ATOM 0 HE ARG A 57 -42.583 -8.050 42.882 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -41.134 -6.937 39.852 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -39.911 -5.956 40.666 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -41.013 -6.793 43.914 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -39.843 -5.875 42.960 1.00 20.00 H new ATOM 1055 N LYS A 58 -47.188 -9.679 42.358 1.00 20.00 N ATOM 1056 CA LYS A 58 -47.463 -10.350 43.612 1.00 20.00 C ATOM 1057 C LYS A 58 -48.783 -11.108 43.521 1.00 20.00 C ATOM 1058 O LYS A 58 -48.874 -12.269 43.915 1.00 20.00 O ATOM 1059 CB LYS A 58 -47.512 -9.335 44.756 1.00 20.00 C ATOM 1060 CG LYS A 58 -47.762 -9.961 46.117 1.00 20.00 C ATOM 1061 CD LYS A 58 -47.826 -8.909 47.208 1.00 20.00 C ATOM 1062 CE LYS A 58 -48.047 -9.537 48.575 1.00 20.00 C ATOM 1063 NZ LYS A 58 -48.071 -8.516 49.653 1.00 20.00 N ATOM 0 H LYS A 58 -47.364 -8.674 42.370 1.00 20.00 H new ATOM 0 HA LYS A 58 -46.662 -11.062 43.813 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -46.570 -8.788 44.785 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -48.297 -8.607 44.551 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -48.697 -10.522 46.095 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -46.968 -10.673 46.343 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -46.900 -8.335 47.216 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -48.633 -8.209 46.993 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -48.988 -10.087 48.574 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -47.256 -10.259 48.776 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -48.224 -8.983 50.570 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -47.164 -8.008 49.670 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -48.842 -7.841 49.475 1.00 20.00 H new ATOM 1077 N GLU A 59 -49.793 -10.456 42.962 1.00 20.00 N ATOM 1078 CA GLU A 59 -51.125 -11.035 42.890 1.00 20.00 C ATOM 1079 C GLU A 59 -51.365 -11.693 41.534 1.00 20.00 C ATOM 1080 O GLU A 59 -52.346 -11.405 40.845 1.00 20.00 O ATOM 1081 CB GLU A 59 -52.187 -9.971 43.176 1.00 20.00 C ATOM 1082 CG GLU A 59 -52.091 -9.389 44.577 1.00 20.00 C ATOM 1083 CD GLU A 59 -53.244 -8.467 44.908 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -54.288 -8.962 45.379 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -53.111 -7.242 44.707 1.00 20.00 O ATOM 0 H GLU A 59 -49.714 -9.525 42.552 1.00 20.00 H new ATOM 0 HA GLU A 59 -51.201 -11.810 43.653 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -52.090 -9.166 42.448 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -53.176 -10.408 43.038 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -52.062 -10.202 45.302 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -51.154 -8.841 44.675 1.00 20.00 H new ATOM 1092 N ARG A 60 -50.454 -12.574 41.161 1.00 20.00 N ATOM 1093 CA ARG A 60 -50.584 -13.359 39.946 1.00 20.00 C ATOM 1094 C ARG A 60 -49.841 -14.675 40.124 1.00 20.00 C ATOM 1095 O ARG A 60 -48.999 -14.797 41.016 1.00 20.00 O ATOM 1096 CB ARG A 60 -50.031 -12.595 38.736 1.00 20.00 C ATOM 1097 CG ARG A 60 -48.533 -12.344 38.801 1.00 20.00 C ATOM 1098 CD ARG A 60 -48.043 -11.540 37.608 1.00 20.00 C ATOM 1099 NE ARG A 60 -48.253 -12.242 36.346 1.00 20.00 N ATOM 1100 CZ ARG A 60 -47.905 -11.753 35.158 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -47.359 -10.546 35.064 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -48.106 -12.472 34.063 1.00 20.00 N ATOM 0 H ARG A 60 -49.604 -12.765 41.691 1.00 20.00 H new ATOM 0 HA ARG A 60 -51.640 -13.555 39.760 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -50.257 -13.156 37.829 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -50.547 -11.638 38.655 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -48.293 -11.811 39.721 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -48.006 -13.297 38.838 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -48.562 -10.582 37.580 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -46.982 -11.324 37.729 1.00 20.00 H new ATOM 0 HE ARG A 60 -48.693 -13.162 36.376 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -47.205 -9.989 35.905 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -47.094 -10.176 34.151 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -48.527 -13.399 34.131 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -47.840 -12.099 33.152 1.00 20.00 H new ATOM 1116 N SER A 61 -50.143 -15.654 39.288 1.00 20.00 N ATOM 1117 CA SER A 61 -49.507 -16.955 39.398 1.00 20.00 C ATOM 1118 C SER A 61 -48.874 -17.366 38.072 1.00 20.00 C ATOM 1119 O SER A 61 -49.514 -17.304 37.020 1.00 20.00 O ATOM 1120 CB SER A 61 -50.528 -18.004 39.847 1.00 20.00 C ATOM 1121 OG SER A 61 -51.131 -17.626 41.074 1.00 20.00 O ATOM 0 H SER A 61 -50.821 -15.573 38.530 1.00 20.00 H new ATOM 0 HA SER A 61 -48.716 -16.888 40.145 1.00 20.00 H new ATOM 0 HB2 SER A 61 -51.295 -18.123 39.081 1.00 20.00 H new ATOM 0 HB3 SER A 61 -50.037 -18.971 39.960 1.00 20.00 H new ATOM 0 HG SER A 61 -51.781 -18.308 41.343 1.00 20.00 H new ATOM 1127 N LYS A 62 -47.610 -17.753 38.127 1.00 20.00 N ATOM 1128 CA LYS A 62 -46.906 -18.254 36.963 1.00 20.00 C ATOM 1129 C LYS A 62 -45.841 -19.249 37.395 1.00 20.00 C ATOM 1130 O LYS A 62 -45.155 -19.036 38.398 1.00 20.00 O ATOM 1131 CB LYS A 62 -46.265 -17.110 36.173 1.00 20.00 C ATOM 1132 CG LYS A 62 -45.376 -16.201 37.011 1.00 20.00 C ATOM 1133 CD LYS A 62 -44.567 -15.253 36.139 1.00 20.00 C ATOM 1134 CE LYS A 62 -45.458 -14.446 35.210 1.00 20.00 C ATOM 1135 NZ LYS A 62 -44.668 -13.585 34.297 1.00 20.00 N ATOM 0 H LYS A 62 -47.047 -17.728 38.977 1.00 20.00 H new ATOM 0 HA LYS A 62 -47.626 -18.752 36.314 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -45.673 -17.530 35.360 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -47.053 -16.511 35.717 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -45.992 -15.625 37.702 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -44.701 -16.807 37.615 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -43.993 -14.576 36.772 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -43.849 -15.824 35.550 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -46.079 -15.123 34.624 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -46.132 -13.826 35.801 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -45.312 -13.051 33.680 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -44.094 -12.921 34.856 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -44.043 -14.178 33.715 1.00 20.00 H new ATOM 1149 N GLN A 63 -45.711 -20.332 36.652 1.00 20.00 N ATOM 1150 CA GLN A 63 -44.742 -21.360 36.971 1.00 20.00 C ATOM 1151 C GLN A 63 -44.481 -22.214 35.741 1.00 20.00 C ATOM 1152 O GLN A 63 -45.244 -23.175 35.505 1.00 20.00 O ATOM 1153 CB GLN A 63 -45.247 -22.225 38.128 1.00 20.00 C ATOM 1154 CG GLN A 63 -44.192 -23.148 38.708 1.00 20.00 C ATOM 1155 CD GLN A 63 -44.712 -23.961 39.873 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -44.651 -23.528 41.024 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -45.218 -25.148 39.587 1.00 20.00 N ATOM 1158 OXT GLN A 63 -43.528 -21.906 35.000 1.00 20.00 O ATOM 0 H GLN A 63 -46.268 -20.522 35.819 1.00 20.00 H new ATOM 0 HA GLN A 63 -43.809 -20.889 37.279 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -45.622 -21.575 38.919 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -46.089 -22.824 37.781 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -43.835 -23.822 37.929 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -43.336 -22.557 39.035 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -45.250 -25.469 38.619 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -45.577 -25.743 40.334 1.00 20.00 H new TER 1167 GLN A 63