USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 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 -7 MET CE :methyl 165:sc= -0.0715 (180deg=-0.401) USER MOD Set 1.2: A 17 GLN : amide:sc= 0 X(o=-0.071,f=-0.071) USER MOD Single : A 1 LYS NZ :NH3+ -166:sc= -0.0439 (180deg=-0.25) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -134:sc= -0.154 (180deg=-0.71) USER MOD Single : A -4 LYS NZ :NH3+ 150:sc= 1.3 (180deg=1.19) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET N :NH3+ 174:sc= 0 (180deg=-0.0416) USER MOD Single : A 10 SER OG : rot -22:sc= 0.263 USER MOD Single : A 14 THR OG1 : rot 132:sc= 0.238 USER MOD Single : A 19 ASN : amide:sc= -1.31 K(o=-1.3,f=0) USER MOD Single : A 20 SER OG : rot -79:sc= 1.2 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.206 X(o=0.21,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.093 (180deg=-0.383) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -44:sc= 0.795 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 49 MET CE :methyl 162:sc= -0.183 (180deg=-0.689) USER MOD Single : A 55 LYS NZ :NH3+ -145:sc= -1.06 (180deg=-2.99!) 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 -26.000 1.570 -7.424 1.00 20.00 N ATOM 2 CA MET A -7 -26.711 2.854 -7.629 1.00 20.00 C ATOM 3 C MET A -7 -25.892 3.787 -8.520 1.00 20.00 C ATOM 4 O MET A -7 -25.099 4.599 -8.041 1.00 20.00 O ATOM 5 CB MET A -7 -27.026 3.526 -6.278 1.00 20.00 C ATOM 6 CG MET A -7 -25.824 3.674 -5.356 1.00 20.00 C ATOM 7 SD MET A -7 -26.191 4.629 -3.870 1.00 20.00 S ATOM 8 CE MET A -7 -27.437 3.598 -3.097 1.00 20.00 C ATOM 0 H1 MET A -7 -26.522 0.990 -6.736 1.00 20.00 H new ATOM 0 H2 MET A -7 -25.936 1.061 -8.328 1.00 20.00 H new ATOM 0 H3 MET A -7 -25.043 1.757 -7.063 1.00 20.00 H new ATOM 0 HA MET A -7 -27.655 2.644 -8.131 1.00 20.00 H new ATOM 0 HB2 MET A -7 -27.448 4.513 -6.466 1.00 20.00 H new ATOM 0 HB3 MET A -7 -27.792 2.944 -5.766 1.00 20.00 H new ATOM 0 HG2 MET A -7 -25.470 2.684 -5.067 1.00 20.00 H new ATOM 0 HG3 MET A -7 -25.012 4.157 -5.900 1.00 20.00 H new ATOM 0 HE1 MET A -7 -27.570 3.904 -2.059 1.00 20.00 H new ATOM 0 HE2 MET A -7 -28.381 3.706 -3.631 1.00 20.00 H new ATOM 0 HE3 MET A -7 -27.118 2.556 -3.129 1.00 20.00 H new ATOM 20 N ASP A -6 -26.087 3.663 -9.825 1.00 20.00 N ATOM 21 CA ASP A -6 -25.350 4.468 -10.791 1.00 20.00 C ATOM 22 C ASP A -6 -26.190 5.657 -11.248 1.00 20.00 C ATOM 23 O ASP A -6 -25.704 6.560 -11.930 1.00 20.00 O ATOM 24 CB ASP A -6 -24.945 3.609 -11.992 1.00 20.00 C ATOM 25 CG ASP A -6 -23.998 4.325 -12.935 1.00 20.00 C ATOM 26 OD1 ASP A -6 -22.856 4.626 -12.525 1.00 20.00 O ATOM 27 OD2 ASP A -6 -24.383 4.587 -14.096 1.00 20.00 O ATOM 0 H ASP A -6 -26.751 3.011 -10.241 1.00 20.00 H new ATOM 0 HA ASP A -6 -24.448 4.849 -10.311 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -24.472 2.694 -11.635 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -25.840 3.313 -12.539 1.00 20.00 H new ATOM 32 N TYR A -5 -27.453 5.656 -10.853 1.00 20.00 N ATOM 33 CA TYR A -5 -28.362 6.743 -11.186 1.00 20.00 C ATOM 34 C TYR A -5 -28.380 7.749 -10.042 1.00 20.00 C ATOM 35 O TYR A -5 -29.327 7.793 -9.253 1.00 20.00 O ATOM 36 CB TYR A -5 -29.783 6.209 -11.434 1.00 20.00 C ATOM 37 CG TYR A -5 -29.838 5.016 -12.363 1.00 20.00 C ATOM 38 CD1 TYR A -5 -29.902 5.184 -13.740 1.00 20.00 C ATOM 39 CD2 TYR A -5 -29.828 3.719 -11.862 1.00 20.00 C ATOM 40 CE1 TYR A -5 -29.953 4.095 -14.589 1.00 20.00 C ATOM 41 CE2 TYR A -5 -29.879 2.627 -12.705 1.00 20.00 C ATOM 42 CZ TYR A -5 -29.942 2.820 -14.066 1.00 20.00 C ATOM 43 OH TYR A -5 -29.991 1.734 -14.910 1.00 20.00 O ATOM 0 H TYR A -5 -27.874 4.911 -10.298 1.00 20.00 H new ATOM 0 HA TYR A -5 -28.015 7.227 -12.099 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -30.229 5.933 -10.478 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -30.394 7.010 -11.851 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -29.912 6.182 -14.154 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -29.779 3.563 -10.794 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -30.001 4.242 -15.658 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -29.870 1.626 -12.298 1.00 20.00 H new ATOM 0 HH TYR A -5 -29.974 0.908 -14.382 1.00 20.00 H new ATOM 53 N LYS A -4 -27.320 8.538 -9.937 1.00 20.00 N ATOM 54 CA LYS A -4 -27.168 9.459 -8.820 1.00 20.00 C ATOM 55 C LYS A -4 -26.713 10.840 -9.284 1.00 20.00 C ATOM 56 O LYS A -4 -26.039 11.561 -8.544 1.00 20.00 O ATOM 57 CB LYS A -4 -26.174 8.889 -7.801 1.00 20.00 C ATOM 58 CG LYS A -4 -26.731 7.728 -6.989 1.00 20.00 C ATOM 59 CD LYS A -4 -27.841 8.196 -6.065 1.00 20.00 C ATOM 60 CE LYS A -4 -28.560 7.036 -5.403 1.00 20.00 C ATOM 61 NZ LYS A -4 -29.634 7.510 -4.493 1.00 20.00 N ATOM 0 H LYS A -4 -26.554 8.559 -10.610 1.00 20.00 H new ATOM 0 HA LYS A -4 -28.144 9.574 -8.348 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -25.278 8.557 -8.326 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -25.868 9.684 -7.120 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -27.112 6.959 -7.661 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -25.933 7.273 -6.403 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -27.423 8.848 -5.298 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -28.558 8.790 -6.632 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -28.989 6.388 -6.168 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -27.844 6.436 -4.841 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -30.396 6.803 -4.458 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -29.245 7.647 -3.538 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -30.014 8.412 -4.845 1.00 20.00 H new ATOM 75 N ASP A -3 -27.102 11.218 -10.491 1.00 20.00 N ATOM 76 CA ASP A -3 -26.665 12.492 -11.058 1.00 20.00 C ATOM 77 C ASP A -3 -27.839 13.319 -11.580 1.00 20.00 C ATOM 78 O ASP A -3 -27.754 14.544 -11.658 1.00 20.00 O ATOM 79 CB ASP A -3 -25.651 12.258 -12.181 1.00 20.00 C ATOM 80 CG ASP A -3 -25.133 13.551 -12.776 1.00 20.00 C ATOM 81 OD1 ASP A -3 -24.639 14.406 -12.014 1.00 20.00 O ATOM 82 OD2 ASP A -3 -25.198 13.708 -14.014 1.00 20.00 O ATOM 0 H ASP A -3 -27.714 10.670 -11.095 1.00 20.00 H new ATOM 0 HA ASP A -3 -26.192 13.057 -10.255 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -24.813 11.679 -11.794 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -26.115 11.661 -12.966 1.00 20.00 H new ATOM 87 N ASP A -2 -28.938 12.660 -11.929 1.00 20.00 N ATOM 88 CA ASP A -2 -30.099 13.362 -12.476 1.00 20.00 C ATOM 89 C ASP A -2 -30.741 14.258 -11.420 1.00 20.00 C ATOM 90 O ASP A -2 -30.698 15.485 -11.525 1.00 20.00 O ATOM 91 CB ASP A -2 -31.137 12.379 -13.036 1.00 20.00 C ATOM 92 CG ASP A -2 -30.712 11.754 -14.354 1.00 20.00 C ATOM 93 OD1 ASP A -2 -30.896 12.397 -15.408 1.00 20.00 O ATOM 94 OD2 ASP A -2 -30.207 10.611 -14.346 1.00 20.00 O ATOM 0 H ASP A -2 -29.052 11.650 -11.845 1.00 20.00 H new ATOM 0 HA ASP A -2 -29.744 13.986 -13.296 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -31.312 11.589 -12.306 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -32.084 12.900 -13.176 1.00 20.00 H new ATOM 99 N ASP A -1 -31.321 13.646 -10.400 1.00 20.00 N ATOM 100 CA ASP A -1 -31.954 14.394 -9.315 1.00 20.00 C ATOM 101 C ASP A -1 -31.225 14.156 -7.999 1.00 20.00 C ATOM 102 O ASP A -1 -31.204 15.016 -7.120 1.00 20.00 O ATOM 103 CB ASP A -1 -33.427 13.995 -9.175 1.00 20.00 C ATOM 104 CG ASP A -1 -34.086 14.594 -7.944 1.00 20.00 C ATOM 105 OD1 ASP A -1 -34.377 15.809 -7.947 1.00 20.00 O ATOM 106 OD2 ASP A -1 -34.317 13.851 -6.965 1.00 20.00 O ATOM 0 H ASP A -1 -31.369 12.632 -10.297 1.00 20.00 H new ATOM 0 HA ASP A -1 -31.897 15.455 -9.559 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -33.971 14.314 -10.064 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -33.501 12.909 -9.129 1.00 20.00 H new ATOM 111 N ASP A 0 -30.589 12.998 -7.893 1.00 20.00 N ATOM 112 CA ASP A 0 -29.956 12.563 -6.645 1.00 20.00 C ATOM 113 C ASP A 0 -28.687 13.347 -6.338 1.00 20.00 C ATOM 114 O ASP A 0 -28.010 13.082 -5.347 1.00 20.00 O ATOM 115 CB ASP A 0 -29.616 11.078 -6.713 1.00 20.00 C ATOM 116 CG ASP A 0 -30.838 10.189 -6.746 1.00 20.00 C ATOM 117 OD1 ASP A 0 -31.580 10.224 -7.749 1.00 20.00 O ATOM 118 OD2 ASP A 0 -31.065 9.446 -5.767 1.00 20.00 O ATOM 0 H ASP A 0 -30.495 12.334 -8.661 1.00 20.00 H new ATOM 0 HA ASP A 0 -30.674 12.749 -5.846 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -29.014 10.890 -7.602 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -29.004 10.812 -5.851 1.00 20.00 H new ATOM 123 N LYS A 1 -28.347 14.291 -7.197 1.00 20.00 N ATOM 124 CA LYS A 1 -27.162 15.106 -6.986 1.00 20.00 C ATOM 125 C LYS A 1 -27.487 16.298 -6.089 1.00 20.00 C ATOM 126 O LYS A 1 -26.604 16.853 -5.433 1.00 20.00 O ATOM 127 CB LYS A 1 -26.592 15.581 -8.327 1.00 20.00 C ATOM 128 CG LYS A 1 -25.271 16.331 -8.201 1.00 20.00 C ATOM 129 CD LYS A 1 -24.198 15.469 -7.551 1.00 20.00 C ATOM 130 CE LYS A 1 -22.877 16.215 -7.425 1.00 20.00 C ATOM 131 NZ LYS A 1 -22.347 16.635 -8.748 1.00 20.00 N ATOM 0 H LYS A 1 -28.871 14.512 -8.044 1.00 20.00 H new ATOM 0 HA LYS A 1 -26.408 14.497 -6.489 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -26.449 14.718 -8.977 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -27.322 16.228 -8.813 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -24.936 16.647 -9.189 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -25.420 17.235 -7.610 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -24.534 15.154 -6.563 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -24.050 14.565 -8.141 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -23.015 17.093 -6.794 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -22.146 15.577 -6.928 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -21.352 16.922 -8.648 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -22.413 15.841 -9.416 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -22.904 17.437 -9.107 1.00 20.00 H new ATOM 145 N ASN A 2 -28.760 16.671 -6.045 1.00 20.00 N ATOM 146 CA ASN A 2 -29.192 17.819 -5.254 1.00 20.00 C ATOM 147 C ASN A 2 -29.178 17.472 -3.770 1.00 20.00 C ATOM 148 O ASN A 2 -28.418 18.060 -2.996 1.00 20.00 O ATOM 149 CB ASN A 2 -30.595 18.268 -5.675 1.00 20.00 C ATOM 150 CG ASN A 2 -30.965 19.625 -5.105 1.00 20.00 C ATOM 151 OD1 ASN A 2 -31.514 19.728 -4.009 1.00 20.00 O ATOM 152 ND2 ASN A 2 -30.674 20.677 -5.852 1.00 20.00 N ATOM 0 H ASN A 2 -29.511 16.197 -6.546 1.00 20.00 H new ATOM 0 HA ASN A 2 -28.497 18.640 -5.433 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -30.650 18.307 -6.763 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -31.324 17.528 -5.346 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -30.905 21.615 -5.524 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -30.218 20.550 -6.756 1.00 20.00 H new ATOM 159 N ARG A 3 -30.009 16.502 -3.392 1.00 20.00 N ATOM 160 CA ARG A 3 -30.091 16.031 -2.011 1.00 20.00 C ATOM 161 C ARG A 3 -30.517 17.164 -1.081 1.00 20.00 C ATOM 162 O ARG A 3 -31.207 18.090 -1.509 1.00 20.00 O ATOM 163 CB ARG A 3 -28.746 15.439 -1.569 1.00 20.00 C ATOM 164 CG ARG A 3 -28.297 14.257 -2.413 1.00 20.00 C ATOM 165 CD ARG A 3 -26.917 13.769 -2.006 1.00 20.00 C ATOM 166 NE ARG A 3 -25.901 14.813 -2.143 1.00 20.00 N ATOM 167 CZ ARG A 3 -24.623 14.572 -2.431 1.00 20.00 C ATOM 168 NH1 ARG A 3 -24.208 13.330 -2.648 1.00 20.00 N ATOM 169 NH2 ARG A 3 -23.757 15.575 -2.510 1.00 20.00 N ATOM 0 H ARG A 3 -30.642 16.022 -4.032 1.00 20.00 H new ATOM 0 HA ARG A 3 -30.846 15.247 -1.956 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -27.984 16.217 -1.613 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -28.821 15.124 -0.528 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -29.015 13.444 -2.312 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -28.286 14.544 -3.465 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -26.945 13.425 -0.972 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -26.640 12.912 -2.620 1.00 20.00 H new ATOM 0 HE ARG A 3 -26.188 15.783 -2.010 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -24.869 12.555 -2.595 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -23.228 13.151 -2.868 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -24.070 16.533 -2.350 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -22.779 15.388 -2.731 1.00 20.00 H new ATOM 183 N ALA A 4 -30.137 17.057 0.195 1.00 20.00 N ATOM 184 CA ALA A 4 -30.468 18.049 1.223 1.00 20.00 C ATOM 185 C ALA A 4 -31.935 17.955 1.638 1.00 20.00 C ATOM 186 O ALA A 4 -32.267 18.145 2.808 1.00 20.00 O ATOM 187 CB ALA A 4 -30.112 19.463 0.776 1.00 20.00 C ATOM 0 H ALA A 4 -29.587 16.274 0.547 1.00 20.00 H new ATOM 0 HA ALA A 4 -29.861 17.820 2.099 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -30.372 20.170 1.564 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -29.043 19.522 0.574 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -30.667 19.709 -0.129 1.00 20.00 H new ATOM 193 N LEU A 5 -32.804 17.662 0.681 1.00 20.00 N ATOM 194 CA LEU A 5 -34.214 17.436 0.956 1.00 20.00 C ATOM 195 C LEU A 5 -34.696 16.207 0.197 1.00 20.00 C ATOM 196 O LEU A 5 -34.453 16.073 -1.003 1.00 20.00 O ATOM 197 CB LEU A 5 -35.053 18.656 0.556 1.00 20.00 C ATOM 198 CG LEU A 5 -34.783 19.945 1.345 1.00 20.00 C ATOM 199 CD1 LEU A 5 -35.623 21.082 0.794 1.00 20.00 C ATOM 200 CD2 LEU A 5 -35.073 19.755 2.830 1.00 20.00 C ATOM 0 H LEU A 5 -32.552 17.575 -0.304 1.00 20.00 H new ATOM 0 HA LEU A 5 -34.334 17.274 2.027 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -34.883 18.858 -0.502 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -36.107 18.400 0.666 1.00 20.00 H new ATOM 0 HG LEU A 5 -33.727 20.192 1.234 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -35.423 21.991 1.362 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -35.371 21.246 -0.254 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -36.680 20.827 0.878 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -34.872 20.685 3.362 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -36.119 19.479 2.964 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -34.435 18.965 3.227 1.00 20.00 H new ATOM 212 N SER A 6 -35.367 15.311 0.898 1.00 20.00 N ATOM 213 CA SER A 6 -35.898 14.103 0.295 1.00 20.00 C ATOM 214 C SER A 6 -37.272 13.797 0.891 1.00 20.00 C ATOM 215 O SER A 6 -37.397 13.021 1.839 1.00 20.00 O ATOM 216 CB SER A 6 -34.929 12.935 0.520 1.00 20.00 C ATOM 217 OG SER A 6 -35.378 11.749 -0.119 1.00 20.00 O ATOM 0 H SER A 6 -35.558 15.400 1.896 1.00 20.00 H new ATOM 0 HA SER A 6 -36.009 14.248 -0.779 1.00 20.00 H new ATOM 0 HB2 SER A 6 -33.943 13.202 0.140 1.00 20.00 H new ATOM 0 HB3 SER A 6 -34.820 12.753 1.589 1.00 20.00 H new ATOM 0 HG SER A 6 -34.736 11.027 0.044 1.00 20.00 H new ATOM 223 N PRO A 7 -38.327 14.428 0.355 1.00 20.00 N ATOM 224 CA PRO A 7 -39.684 14.272 0.858 1.00 20.00 C ATOM 225 C PRO A 7 -40.456 13.159 0.149 1.00 20.00 C ATOM 226 O PRO A 7 -41.687 13.115 0.197 1.00 20.00 O ATOM 227 CB PRO A 7 -40.301 15.636 0.553 1.00 20.00 C ATOM 228 CG PRO A 7 -39.580 16.138 -0.662 1.00 20.00 C ATOM 229 CD PRO A 7 -38.282 15.367 -0.776 1.00 20.00 C ATOM 0 HA PRO A 7 -39.708 13.988 1.910 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -41.371 15.550 0.367 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -40.178 16.319 1.393 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -40.189 15.996 -1.555 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -39.384 17.207 -0.577 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -38.212 14.842 -1.729 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -37.418 16.028 -0.712 1.00 20.00 H new ATOM 237 N MET A 8 -39.728 12.258 -0.496 1.00 20.00 N ATOM 238 CA MET A 8 -40.347 11.169 -1.237 1.00 20.00 C ATOM 239 C MET A 8 -39.594 9.861 -1.018 1.00 20.00 C ATOM 240 O MET A 8 -39.383 9.086 -1.953 1.00 20.00 O ATOM 241 CB MET A 8 -40.405 11.501 -2.733 1.00 20.00 C ATOM 242 CG MET A 8 -39.046 11.787 -3.358 1.00 20.00 C ATOM 243 SD MET A 8 -39.125 11.969 -5.152 1.00 20.00 S ATOM 244 CE MET A 8 -39.630 10.318 -5.637 1.00 20.00 C ATOM 0 H MET A 8 -38.708 12.260 -0.521 1.00 20.00 H new ATOM 0 HA MET A 8 -41.364 11.045 -0.865 1.00 20.00 H new ATOM 0 HB2 MET A 8 -40.868 10.668 -3.262 1.00 20.00 H new ATOM 0 HB3 MET A 8 -41.049 12.368 -2.877 1.00 20.00 H new ATOM 0 HG2 MET A 8 -38.636 12.698 -2.923 1.00 20.00 H new ATOM 0 HG3 MET A 8 -38.359 10.978 -3.109 1.00 20.00 H new ATOM 0 HE1 MET A 8 -39.017 9.981 -6.472 1.00 20.00 H new ATOM 0 HE2 MET A 8 -39.504 9.637 -4.795 1.00 20.00 H new ATOM 0 HE3 MET A 8 -40.677 10.332 -5.938 1.00 20.00 H new ATOM 254 N VAL A 9 -39.209 9.608 0.224 1.00 20.00 N ATOM 255 CA VAL A 9 -38.445 8.412 0.553 1.00 20.00 C ATOM 256 C VAL A 9 -39.337 7.175 0.494 1.00 20.00 C ATOM 257 O VAL A 9 -38.922 6.124 -0.002 1.00 20.00 O ATOM 258 CB VAL A 9 -37.783 8.506 1.949 1.00 20.00 C ATOM 259 CG1 VAL A 9 -36.943 7.269 2.232 1.00 20.00 C ATOM 260 CG2 VAL A 9 -36.931 9.761 2.057 1.00 20.00 C ATOM 0 H VAL A 9 -39.412 10.213 1.020 1.00 20.00 H new ATOM 0 HA VAL A 9 -37.651 8.329 -0.190 1.00 20.00 H new ATOM 0 HB VAL A 9 -38.575 8.562 2.695 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -36.487 7.357 3.218 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -37.578 6.384 2.203 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -36.161 7.180 1.478 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -36.475 9.807 3.046 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -36.149 9.736 1.298 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -37.557 10.640 1.905 1.00 20.00 H new ATOM 270 N SER A 10 -40.566 7.324 1.005 1.00 20.00 N ATOM 271 CA SER A 10 -41.583 6.264 0.976 1.00 20.00 C ATOM 272 C SER A 10 -41.273 5.151 1.984 1.00 20.00 C ATOM 273 O SER A 10 -42.110 4.282 2.238 1.00 20.00 O ATOM 274 CB SER A 10 -41.722 5.687 -0.441 1.00 20.00 C ATOM 275 OG SER A 10 -42.720 4.681 -0.507 1.00 20.00 O ATOM 0 H SER A 10 -40.884 8.184 1.451 1.00 20.00 H new ATOM 0 HA SER A 10 -42.533 6.713 1.266 1.00 20.00 H new ATOM 0 HB2 SER A 10 -41.968 6.489 -1.137 1.00 20.00 H new ATOM 0 HB3 SER A 10 -40.766 5.271 -0.759 1.00 20.00 H new ATOM 0 HG SER A 10 -42.869 4.309 0.387 1.00 20.00 H new ATOM 281 N GLU A 11 -40.087 5.192 2.572 1.00 20.00 N ATOM 282 CA GLU A 11 -39.666 4.159 3.504 1.00 20.00 C ATOM 283 C GLU A 11 -39.253 4.758 4.835 1.00 20.00 C ATOM 284 O GLU A 11 -38.920 5.942 4.922 1.00 20.00 O ATOM 285 CB GLU A 11 -38.499 3.353 2.934 1.00 20.00 C ATOM 286 CG GLU A 11 -38.853 2.531 1.712 1.00 20.00 C ATOM 287 CD GLU A 11 -37.686 1.705 1.225 1.00 20.00 C ATOM 288 OE1 GLU A 11 -37.367 0.680 1.864 1.00 20.00 O ATOM 289 OE2 GLU A 11 -37.082 2.070 0.197 1.00 20.00 O ATOM 0 H GLU A 11 -39.399 5.930 2.420 1.00 20.00 H new ATOM 0 HA GLU A 11 -40.519 3.498 3.660 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -37.690 4.037 2.677 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -38.119 2.687 3.709 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -39.689 1.873 1.948 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -39.185 3.194 0.913 1.00 20.00 H new ATOM 296 N PHE A 12 -39.288 3.932 5.865 1.00 20.00 N ATOM 297 CA PHE A 12 -38.821 4.318 7.179 1.00 20.00 C ATOM 298 C PHE A 12 -38.244 3.095 7.877 1.00 20.00 C ATOM 299 O PHE A 12 -38.773 1.992 7.724 1.00 20.00 O ATOM 300 CB PHE A 12 -39.967 4.917 7.998 1.00 20.00 C ATOM 301 CG PHE A 12 -39.519 5.607 9.257 1.00 20.00 C ATOM 302 CD1 PHE A 12 -38.800 6.791 9.191 1.00 20.00 C ATOM 303 CD2 PHE A 12 -39.807 5.073 10.505 1.00 20.00 C ATOM 304 CE1 PHE A 12 -38.380 7.428 10.341 1.00 20.00 C ATOM 305 CE2 PHE A 12 -39.387 5.707 11.658 1.00 20.00 C ATOM 306 CZ PHE A 12 -38.673 6.885 11.576 1.00 20.00 C ATOM 0 H PHE A 12 -39.641 2.976 5.812 1.00 20.00 H new ATOM 0 HA PHE A 12 -38.046 5.078 7.083 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -40.510 5.630 7.378 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -40.667 4.124 8.259 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -38.566 7.220 8.228 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -40.366 4.151 10.576 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -37.823 8.351 10.275 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -39.617 5.281 12.623 1.00 20.00 H new ATOM 0 HZ PHE A 12 -38.344 7.382 12.477 1.00 20.00 H new ATOM 316 N GLU A 13 -37.145 3.293 8.608 1.00 20.00 N ATOM 317 CA GLU A 13 -36.446 2.216 9.330 1.00 20.00 C ATOM 318 C GLU A 13 -35.663 1.301 8.384 1.00 20.00 C ATOM 319 O GLU A 13 -34.541 0.898 8.692 1.00 20.00 O ATOM 320 CB GLU A 13 -37.416 1.379 10.170 1.00 20.00 C ATOM 321 CG GLU A 13 -38.120 2.162 11.262 1.00 20.00 C ATOM 322 CD GLU A 13 -39.051 1.296 12.080 1.00 20.00 C ATOM 323 OE1 GLU A 13 -40.227 1.138 11.685 1.00 20.00 O ATOM 324 OE2 GLU A 13 -38.615 0.774 13.128 1.00 20.00 O ATOM 0 H GLU A 13 -36.709 4.208 8.719 1.00 20.00 H new ATOM 0 HA GLU A 13 -35.736 2.707 9.996 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -38.165 0.940 9.511 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -36.868 0.554 10.624 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -37.377 2.614 11.919 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -38.687 2.978 10.813 1.00 20.00 H new ATOM 331 N THR A 14 -36.249 0.987 7.239 1.00 20.00 N ATOM 332 CA THR A 14 -35.641 0.068 6.290 1.00 20.00 C ATOM 333 C THR A 14 -34.428 0.686 5.603 1.00 20.00 C ATOM 334 O THR A 14 -34.463 1.839 5.165 1.00 20.00 O ATOM 335 CB THR A 14 -36.663 -0.386 5.228 1.00 20.00 C ATOM 336 OG1 THR A 14 -37.417 0.740 4.755 1.00 20.00 O ATOM 337 CG2 THR A 14 -37.606 -1.436 5.793 1.00 20.00 C ATOM 0 H THR A 14 -37.152 1.358 6.943 1.00 20.00 H new ATOM 0 HA THR A 14 -35.308 -0.800 6.859 1.00 20.00 H new ATOM 0 HB THR A 14 -36.114 -0.828 4.397 1.00 20.00 H new ATOM 0 HG1 THR A 14 -37.443 0.728 3.775 1.00 20.00 H new ATOM 0 HG21 THR A 14 -38.316 -1.739 5.024 1.00 20.00 H new ATOM 0 HG22 THR A 14 -37.032 -2.303 6.118 1.00 20.00 H new ATOM 0 HG23 THR A 14 -38.147 -1.020 6.643 1.00 20.00 H new ATOM 345 N ILE A 15 -33.347 -0.080 5.538 1.00 20.00 N ATOM 346 CA ILE A 15 -32.129 0.360 4.880 1.00 20.00 C ATOM 347 C ILE A 15 -31.624 -0.728 3.937 1.00 20.00 C ATOM 348 O ILE A 15 -30.859 -1.610 4.338 1.00 20.00 O ATOM 349 CB ILE A 15 -31.019 0.705 5.896 1.00 20.00 C ATOM 350 CG1 ILE A 15 -31.517 1.730 6.919 1.00 20.00 C ATOM 351 CG2 ILE A 15 -29.792 1.238 5.171 1.00 20.00 C ATOM 352 CD1 ILE A 15 -30.503 2.060 7.992 1.00 20.00 C ATOM 0 H ILE A 15 -33.292 -1.017 5.938 1.00 20.00 H new ATOM 0 HA ILE A 15 -32.370 1.263 4.318 1.00 20.00 H new ATOM 0 HB ILE A 15 -30.747 -0.206 6.430 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -31.792 2.647 6.397 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -32.422 1.348 7.392 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -29.016 1.478 5.898 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -29.421 0.481 4.480 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -30.059 2.137 4.616 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -30.926 2.792 8.680 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -30.245 1.154 8.540 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -29.606 2.472 7.530 1.00 20.00 H new ATOM 364 N GLU A 16 -32.054 -0.656 2.685 1.00 20.00 N ATOM 365 CA GLU A 16 -31.690 -1.647 1.677 1.00 20.00 C ATOM 366 C GLU A 16 -30.171 -1.726 1.506 1.00 20.00 C ATOM 367 O GLU A 16 -29.619 -2.800 1.259 1.00 20.00 O ATOM 368 CB GLU A 16 -32.364 -1.334 0.328 1.00 20.00 C ATOM 369 CG GLU A 16 -31.850 -0.081 -0.375 1.00 20.00 C ATOM 370 CD GLU A 16 -32.082 1.187 0.418 1.00 20.00 C ATOM 371 OE1 GLU A 16 -33.191 1.747 0.337 1.00 20.00 O ATOM 372 OE2 GLU A 16 -31.157 1.620 1.136 1.00 20.00 O ATOM 0 H GLU A 16 -32.662 0.086 2.339 1.00 20.00 H new ATOM 0 HA GLU A 16 -32.047 -2.617 2.024 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.226 -2.187 -0.336 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -33.436 -1.227 0.491 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -30.783 -0.192 -0.566 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.340 0.010 -1.345 1.00 20.00 H new ATOM 379 N GLN A 17 -29.508 -0.584 1.654 1.00 20.00 N ATOM 380 CA GLN A 17 -28.058 -0.504 1.528 1.00 20.00 C ATOM 381 C GLN A 17 -27.365 -1.386 2.566 1.00 20.00 C ATOM 382 O GLN A 17 -26.375 -2.049 2.265 1.00 20.00 O ATOM 383 CB GLN A 17 -27.595 0.950 1.669 1.00 20.00 C ATOM 384 CG GLN A 17 -26.093 1.140 1.514 1.00 20.00 C ATOM 385 CD GLN A 17 -25.683 2.599 1.536 1.00 20.00 C ATOM 386 OE1 GLN A 17 -25.407 3.162 2.595 1.00 20.00 O ATOM 387 NE2 GLN A 17 -25.634 3.216 0.367 1.00 20.00 N ATOM 0 H GLN A 17 -29.958 0.307 1.863 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.782 -0.869 0.539 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -28.106 1.557 0.922 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -27.899 1.324 2.647 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -25.579 0.610 2.316 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.769 0.690 0.576 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -25.871 2.711 -0.487 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -25.359 4.197 0.319 1.00 20.00 H new ATOM 396 N GLU A 18 -27.908 -1.415 3.776 1.00 20.00 N ATOM 397 CA GLU A 18 -27.325 -2.209 4.853 1.00 20.00 C ATOM 398 C GLU A 18 -27.693 -3.677 4.674 1.00 20.00 C ATOM 399 O GLU A 18 -26.945 -4.575 5.061 1.00 20.00 O ATOM 400 CB GLU A 18 -27.812 -1.703 6.218 1.00 20.00 C ATOM 401 CG GLU A 18 -27.243 -2.474 7.401 1.00 20.00 C ATOM 402 CD GLU A 18 -27.747 -1.959 8.732 1.00 20.00 C ATOM 403 OE1 GLU A 18 -28.829 -2.400 9.174 1.00 20.00 O ATOM 404 OE2 GLU A 18 -27.060 -1.115 9.348 1.00 20.00 O ATOM 0 H GLU A 18 -28.749 -0.900 4.037 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.240 -2.108 4.815 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.546 -0.651 6.321 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.900 -1.761 6.249 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -27.504 -3.528 7.302 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.155 -2.412 7.380 1.00 20.00 H new ATOM 411 N ASN A 19 -28.846 -3.909 4.061 1.00 20.00 N ATOM 412 CA ASN A 19 -29.337 -5.265 3.836 1.00 20.00 C ATOM 413 C ASN A 19 -28.416 -6.040 2.905 1.00 20.00 C ATOM 414 O ASN A 19 -28.369 -7.264 2.962 1.00 20.00 O ATOM 415 CB ASN A 19 -30.756 -5.252 3.262 1.00 20.00 C ATOM 416 CG ASN A 19 -31.827 -5.004 4.310 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.964 -5.457 4.165 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.480 -4.296 5.373 1.00 20.00 N ATOM 0 H ASN A 19 -29.461 -3.175 3.709 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.354 -5.763 4.805 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.823 -4.481 2.495 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.951 -6.206 2.772 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.164 -4.109 6.107 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -30.529 -3.937 5.459 1.00 20.00 H new ATOM 425 N SER A 20 -27.674 -5.330 2.058 1.00 20.00 N ATOM 426 CA SER A 20 -26.766 -5.987 1.125 1.00 20.00 C ATOM 427 C SER A 20 -25.710 -6.782 1.894 1.00 20.00 C ATOM 428 O SER A 20 -25.479 -7.957 1.616 1.00 20.00 O ATOM 429 CB SER A 20 -26.102 -4.963 0.193 1.00 20.00 C ATOM 430 OG SER A 20 -25.279 -4.059 0.913 1.00 20.00 O ATOM 0 H SER A 20 -27.684 -4.312 1.999 1.00 20.00 H new ATOM 0 HA SER A 20 -27.343 -6.676 0.508 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.504 -5.484 -0.554 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.870 -4.407 -0.345 1.00 20.00 H new ATOM 0 HG SER A 20 -25.838 -3.374 1.336 1.00 20.00 H new ATOM 436 N TYR A 21 -25.104 -6.139 2.889 1.00 20.00 N ATOM 437 CA TYR A 21 -24.102 -6.784 3.731 1.00 20.00 C ATOM 438 C TYR A 21 -24.702 -7.998 4.427 1.00 20.00 C ATOM 439 O TYR A 21 -24.050 -9.030 4.582 1.00 20.00 O ATOM 440 CB TYR A 21 -23.572 -5.802 4.779 1.00 20.00 C ATOM 441 CG TYR A 21 -22.944 -4.554 4.200 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.591 -4.514 3.892 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.703 -3.412 3.970 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.012 -3.373 3.370 1.00 20.00 C ATOM 445 CE2 TYR A 21 -23.131 -2.269 3.449 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.785 -2.254 3.152 1.00 20.00 C ATOM 447 OH TYR A 21 -21.211 -1.114 2.635 1.00 20.00 O ATOM 0 H TYR A 21 -25.291 -5.166 3.132 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.276 -7.106 3.096 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.392 -5.511 5.435 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.834 -6.312 5.398 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -20.981 -5.389 4.063 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.758 -3.419 4.203 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.958 -3.359 3.134 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -23.735 -1.391 3.275 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.894 -0.417 2.542 1.00 20.00 H new ATOM 457 N ASN A 22 -25.958 -7.861 4.830 1.00 20.00 N ATOM 458 CA ASN A 22 -26.676 -8.929 5.514 1.00 20.00 C ATOM 459 C ASN A 22 -26.916 -10.108 4.578 1.00 20.00 C ATOM 460 O ASN A 22 -26.715 -11.263 4.953 1.00 20.00 O ATOM 461 CB ASN A 22 -28.013 -8.402 6.053 1.00 20.00 C ATOM 462 CG ASN A 22 -28.819 -9.463 6.780 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.644 -9.671 7.981 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.719 -10.130 6.068 1.00 20.00 N ATOM 0 H ASN A 22 -26.506 -7.012 4.693 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.065 -9.274 6.348 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.823 -7.570 6.731 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.603 -8.009 5.225 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -30.295 -10.844 6.514 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.834 -9.929 5.075 1.00 20.00 H new ATOM 471 N GLU A 23 -27.326 -9.810 3.353 1.00 20.00 N ATOM 472 CA GLU A 23 -27.632 -10.845 2.378 1.00 20.00 C ATOM 473 C GLU A 23 -26.373 -11.587 1.953 1.00 20.00 C ATOM 474 O GLU A 23 -26.373 -12.813 1.859 1.00 20.00 O ATOM 475 CB GLU A 23 -28.339 -10.247 1.161 1.00 20.00 C ATOM 476 CG GLU A 23 -29.721 -9.695 1.479 1.00 20.00 C ATOM 477 CD GLU A 23 -30.626 -10.732 2.111 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.140 -11.601 1.375 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.828 -10.688 3.343 1.00 20.00 O ATOM 0 H GLU A 23 -27.454 -8.858 3.011 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.303 -11.563 2.850 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -27.723 -9.449 0.747 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.429 -11.012 0.390 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.623 -8.844 2.152 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.181 -9.325 0.563 1.00 20.00 H new ATOM 486 N TRP A 24 -25.295 -10.847 1.720 1.00 20.00 N ATOM 487 CA TRP A 24 -24.022 -11.459 1.351 1.00 20.00 C ATOM 488 C TRP A 24 -23.451 -12.271 2.514 1.00 20.00 C ATOM 489 O TRP A 24 -22.730 -13.249 2.308 1.00 20.00 O ATOM 490 CB TRP A 24 -23.016 -10.397 0.891 1.00 20.00 C ATOM 491 CG TRP A 24 -23.298 -9.866 -0.484 1.00 20.00 C ATOM 492 CD1 TRP A 24 -23.961 -8.716 -0.803 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.925 -10.471 -1.728 1.00 20.00 C ATOM 494 NE1 TRP A 24 -24.024 -8.569 -2.167 1.00 20.00 N ATOM 495 CE2 TRP A 24 -23.395 -9.631 -2.756 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.239 -11.639 -2.071 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -23.199 -9.926 -4.103 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.045 -11.929 -3.408 1.00 20.00 C ATOM 499 CH2 TRP A 24 -22.523 -11.076 -4.410 1.00 20.00 C ATOM 0 H TRP A 24 -25.275 -9.829 1.779 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.206 -12.137 0.518 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.022 -9.570 1.600 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.014 -10.825 0.909 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -24.376 -8.022 -0.087 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -24.468 -7.794 -2.660 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.867 -12.303 -1.305 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -23.567 -9.270 -4.878 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -21.516 -12.829 -3.685 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -22.355 -11.330 -5.446 1.00 20.00 H new ATOM 510 N LEU A 25 -23.789 -11.873 3.732 1.00 20.00 N ATOM 511 CA LEU A 25 -23.368 -12.606 4.921 1.00 20.00 C ATOM 512 C LEU A 25 -24.177 -13.892 5.048 1.00 20.00 C ATOM 513 O LEU A 25 -23.663 -14.930 5.464 1.00 20.00 O ATOM 514 CB LEU A 25 -23.549 -11.739 6.173 1.00 20.00 C ATOM 515 CG LEU A 25 -23.105 -12.375 7.493 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.609 -12.647 7.490 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.479 -11.479 8.665 1.00 20.00 C ATOM 0 H LEU A 25 -24.354 -11.046 3.925 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.312 -12.859 4.826 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -22.994 -10.812 6.033 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.602 -11.470 6.257 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.623 -13.328 7.602 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.319 -13.099 8.439 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.365 -13.328 6.674 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.069 -11.710 7.355 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.157 -11.945 9.596 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -22.989 -10.512 8.554 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.560 -11.338 8.685 1.00 20.00 H new ATOM 529 N ARG A 26 -25.445 -13.815 4.670 1.00 20.00 N ATOM 530 CA ARG A 26 -26.333 -14.968 4.714 1.00 20.00 C ATOM 531 C ARG A 26 -25.995 -15.925 3.573 1.00 20.00 C ATOM 532 O ARG A 26 -26.123 -17.141 3.713 1.00 20.00 O ATOM 533 CB ARG A 26 -27.797 -14.496 4.632 1.00 20.00 C ATOM 534 CG ARG A 26 -28.843 -15.565 4.943 1.00 20.00 C ATOM 535 CD ARG A 26 -29.115 -16.481 3.756 1.00 20.00 C ATOM 536 NE ARG A 26 -30.056 -17.546 4.092 1.00 20.00 N ATOM 537 CZ ARG A 26 -30.254 -18.632 3.346 1.00 20.00 C ATOM 538 NH1 ARG A 26 -29.630 -18.766 2.183 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.089 -19.577 3.753 1.00 20.00 N ATOM 0 H ARG A 26 -25.884 -12.960 4.327 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.198 -15.502 5.655 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.933 -13.665 5.324 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.982 -14.110 3.630 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.505 -16.163 5.789 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.772 -15.082 5.245 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.512 -15.894 2.928 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -28.178 -16.920 3.414 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.596 -17.453 4.952 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -28.996 -18.036 1.857 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -29.784 -19.599 1.615 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.582 -19.474 4.640 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -31.238 -20.407 3.179 1.00 20.00 H new ATOM 553 N ALA A 27 -25.540 -15.363 2.460 1.00 20.00 N ATOM 554 CA ALA A 27 -25.210 -16.138 1.269 1.00 20.00 C ATOM 555 C ALA A 27 -24.114 -17.160 1.537 1.00 20.00 C ATOM 556 O ALA A 27 -24.184 -18.293 1.054 1.00 20.00 O ATOM 557 CB ALA A 27 -24.792 -15.214 0.139 1.00 20.00 C ATOM 0 H ALA A 27 -25.389 -14.359 2.357 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.107 -16.685 0.979 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.549 -15.806 -0.744 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.610 -14.533 -0.095 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.917 -14.640 0.443 1.00 20.00 H new ATOM 563 N LYS A 28 -23.104 -16.763 2.304 1.00 20.00 N ATOM 564 CA LYS A 28 -21.993 -17.658 2.599 1.00 20.00 C ATOM 565 C LYS A 28 -22.427 -18.747 3.579 1.00 20.00 C ATOM 566 O LYS A 28 -21.809 -19.809 3.659 1.00 20.00 O ATOM 567 CB LYS A 28 -20.769 -16.870 3.114 1.00 20.00 C ATOM 568 CG LYS A 28 -20.951 -16.160 4.452 1.00 20.00 C ATOM 569 CD LYS A 28 -20.670 -17.083 5.630 1.00 20.00 C ATOM 570 CE LYS A 28 -20.580 -16.315 6.944 1.00 20.00 C ATOM 571 NZ LYS A 28 -19.435 -15.366 6.952 1.00 20.00 N ATOM 0 H LYS A 28 -23.032 -15.838 2.728 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.689 -18.151 1.675 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -19.928 -17.558 3.201 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.497 -16.127 2.364 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.285 -15.299 4.499 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.970 -15.779 4.525 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -21.459 -17.832 5.701 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.736 -17.618 5.457 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -21.508 -15.767 7.109 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -20.475 -17.019 7.770 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -19.271 -15.028 7.922 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -18.582 -15.849 6.605 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -19.650 -14.557 6.335 1.00 20.00 H new ATOM 585 N VAL A 29 -23.510 -18.487 4.304 1.00 20.00 N ATOM 586 CA VAL A 29 -24.068 -19.468 5.220 1.00 20.00 C ATOM 587 C VAL A 29 -25.015 -20.402 4.472 1.00 20.00 C ATOM 588 O VAL A 29 -24.746 -21.600 4.370 1.00 20.00 O ATOM 589 CB VAL A 29 -24.822 -18.797 6.392 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.390 -19.843 7.339 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.906 -17.845 7.143 1.00 20.00 C ATOM 0 H VAL A 29 -24.018 -17.603 4.273 1.00 20.00 H new ATOM 0 HA VAL A 29 -23.237 -20.038 5.636 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.651 -18.224 5.977 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.916 -19.348 8.155 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -26.084 -20.486 6.797 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.578 -20.446 7.744 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.455 -17.383 7.964 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.055 -18.397 7.541 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.550 -17.071 6.463 1.00 20.00 H new ATOM 601 N ALA A 30 -26.100 -19.845 3.933 1.00 20.00 N ATOM 602 CA ALA A 30 -27.106 -20.617 3.192 1.00 20.00 C ATOM 603 C ALA A 30 -27.565 -21.853 3.965 1.00 20.00 C ATOM 604 O ALA A 30 -27.794 -22.916 3.381 1.00 20.00 O ATOM 605 CB ALA A 30 -26.565 -21.010 1.827 1.00 20.00 C ATOM 0 H ALA A 30 -26.309 -18.849 3.996 1.00 20.00 H new ATOM 0 HA ALA A 30 -27.979 -19.978 3.060 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -27.320 -21.582 1.287 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -26.317 -20.112 1.261 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -25.669 -21.619 1.952 1.00 20.00 H new ATOM 611 N THR A 31 -27.687 -21.700 5.282 1.00 20.00 N ATOM 612 CA THR A 31 -28.093 -22.788 6.170 1.00 20.00 C ATOM 613 C THR A 31 -27.207 -24.029 5.969 1.00 20.00 C ATOM 614 O THR A 31 -27.647 -25.167 6.130 1.00 20.00 O ATOM 615 CB THR A 31 -29.578 -23.141 5.954 1.00 20.00 C ATOM 616 OG1 THR A 31 -30.327 -21.935 5.748 1.00 20.00 O ATOM 617 CG2 THR A 31 -30.149 -23.877 7.159 1.00 20.00 C ATOM 0 H THR A 31 -27.507 -20.819 5.764 1.00 20.00 H new ATOM 0 HA THR A 31 -27.965 -22.447 7.197 1.00 20.00 H new ATOM 0 HB THR A 31 -29.651 -23.790 5.082 1.00 20.00 H new ATOM 0 HG1 THR A 31 -31.271 -22.156 5.609 1.00 20.00 H new ATOM 0 HG21 THR A 31 -31.198 -24.113 6.978 1.00 20.00 H new ATOM 0 HG22 THR A 31 -29.592 -24.800 7.319 1.00 20.00 H new ATOM 0 HG23 THR A 31 -30.067 -23.245 8.044 1.00 20.00 H new ATOM 625 N SER A 32 -25.953 -23.793 5.608 1.00 20.00 N ATOM 626 CA SER A 32 -24.994 -24.867 5.395 1.00 20.00 C ATOM 627 C SER A 32 -23.643 -24.473 5.983 1.00 20.00 C ATOM 628 O SER A 32 -22.587 -24.910 5.516 1.00 20.00 O ATOM 629 CB SER A 32 -24.868 -25.176 3.895 1.00 20.00 C ATOM 630 OG SER A 32 -23.983 -26.262 3.657 1.00 20.00 O ATOM 0 H SER A 32 -25.574 -22.858 5.456 1.00 20.00 H new ATOM 0 HA SER A 32 -25.344 -25.768 5.898 1.00 20.00 H new ATOM 0 HB2 SER A 32 -25.851 -25.411 3.488 1.00 20.00 H new ATOM 0 HB3 SER A 32 -24.509 -24.291 3.370 1.00 20.00 H new ATOM 0 HG SER A 32 -23.181 -26.158 4.211 1.00 20.00 H new ATOM 636 N LEU A 33 -23.688 -23.634 7.006 1.00 20.00 N ATOM 637 CA LEU A 33 -22.487 -23.180 7.686 1.00 20.00 C ATOM 638 C LEU A 33 -22.851 -22.777 9.108 1.00 20.00 C ATOM 639 O LEU A 33 -23.321 -21.663 9.350 1.00 20.00 O ATOM 640 CB LEU A 33 -21.859 -22.000 6.926 1.00 20.00 C ATOM 641 CG LEU A 33 -20.382 -21.699 7.240 1.00 20.00 C ATOM 642 CD1 LEU A 33 -19.791 -20.788 6.176 1.00 20.00 C ATOM 643 CD2 LEU A 33 -20.228 -21.054 8.612 1.00 20.00 C ATOM 0 H LEU A 33 -24.554 -23.251 7.386 1.00 20.00 H new ATOM 0 HA LEU A 33 -21.752 -23.984 7.717 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -21.950 -22.194 5.857 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -22.444 -21.105 7.139 1.00 20.00 H new ATOM 0 HG LEU A 33 -19.844 -22.647 7.244 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -18.746 -20.584 6.411 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -19.855 -21.275 5.203 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -20.347 -19.851 6.150 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -19.174 -20.854 8.804 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -20.786 -20.118 8.639 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -20.614 -21.728 9.376 1.00 20.00 H new ATOM 655 N ALA A 34 -22.665 -23.696 10.036 1.00 20.00 N ATOM 656 CA ALA A 34 -23.012 -23.454 11.425 1.00 20.00 C ATOM 657 C ALA A 34 -21.948 -24.012 12.353 1.00 20.00 C ATOM 658 O ALA A 34 -21.834 -25.227 12.526 1.00 20.00 O ATOM 659 CB ALA A 34 -24.365 -24.063 11.748 1.00 20.00 C ATOM 0 H ALA A 34 -22.274 -24.620 9.853 1.00 20.00 H new ATOM 0 HA ALA A 34 -23.068 -22.376 11.578 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -24.610 -23.872 12.793 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -25.127 -23.616 11.110 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -24.331 -25.138 11.574 1.00 20.00 H new ATOM 665 N ASP A 35 -21.159 -23.125 12.932 1.00 20.00 N ATOM 666 CA ASP A 35 -20.138 -23.525 13.884 1.00 20.00 C ATOM 667 C ASP A 35 -20.801 -23.991 15.171 1.00 20.00 C ATOM 668 O ASP A 35 -21.731 -23.346 15.657 1.00 20.00 O ATOM 669 CB ASP A 35 -19.183 -22.366 14.184 1.00 20.00 C ATOM 670 CG ASP A 35 -18.483 -21.846 12.946 1.00 20.00 C ATOM 671 OD1 ASP A 35 -17.604 -22.556 12.411 1.00 20.00 O ATOM 672 OD2 ASP A 35 -18.813 -20.727 12.499 1.00 20.00 O ATOM 0 H ASP A 35 -21.206 -22.121 12.759 1.00 20.00 H new ATOM 0 HA ASP A 35 -19.559 -24.340 13.450 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -19.741 -21.553 14.649 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -18.436 -22.695 14.907 1.00 20.00 H new ATOM 677 N PRO A 36 -20.341 -25.120 15.744 1.00 20.00 N ATOM 678 CA PRO A 36 -20.913 -25.675 16.976 1.00 20.00 C ATOM 679 C PRO A 36 -20.613 -24.813 18.198 1.00 20.00 C ATOM 680 O PRO A 36 -21.031 -25.128 19.312 1.00 20.00 O ATOM 681 CB PRO A 36 -20.238 -27.047 17.121 1.00 20.00 C ATOM 682 CG PRO A 36 -19.571 -27.306 15.811 1.00 20.00 C ATOM 683 CD PRO A 36 -19.247 -25.958 15.234 1.00 20.00 C ATOM 0 HA PRO A 36 -22.000 -25.728 16.917 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -19.514 -27.044 17.936 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -20.970 -27.822 17.348 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -18.667 -27.900 15.945 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -20.226 -27.868 15.145 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -18.273 -25.599 15.565 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -19.226 -25.978 14.144 1.00 20.00 H new ATOM 691 N ARG A 37 -19.876 -23.728 17.960 1.00 20.00 N ATOM 692 CA ARG A 37 -19.490 -22.779 18.997 1.00 20.00 C ATOM 693 C ARG A 37 -18.601 -23.445 20.047 1.00 20.00 C ATOM 694 O ARG A 37 -19.075 -23.882 21.094 1.00 20.00 O ATOM 695 CB ARG A 37 -20.729 -22.147 19.647 1.00 20.00 C ATOM 696 CG ARG A 37 -20.399 -21.117 20.714 1.00 20.00 C ATOM 697 CD ARG A 37 -21.643 -20.404 21.215 1.00 20.00 C ATOM 698 NE ARG A 37 -22.272 -19.601 20.167 1.00 20.00 N ATOM 699 CZ ARG A 37 -22.759 -18.375 20.358 1.00 20.00 C ATOM 700 NH1 ARG A 37 -22.710 -17.812 21.561 1.00 20.00 N ATOM 701 NH2 ARG A 37 -23.299 -17.712 19.342 1.00 20.00 N ATOM 0 H ARG A 37 -19.528 -23.484 17.033 1.00 20.00 H new ATOM 0 HA ARG A 37 -18.912 -21.983 18.527 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -21.334 -21.675 18.873 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -21.338 -22.935 20.091 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -19.900 -21.607 21.550 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -19.699 -20.386 20.309 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -22.357 -21.139 21.587 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -21.379 -19.762 22.055 1.00 20.00 H new ATOM 0 HE ARG A 37 -22.342 -20.004 19.233 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -22.298 -18.318 22.345 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -23.084 -16.874 21.701 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -23.341 -18.141 18.418 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -23.672 -16.774 19.486 1.00 20.00 H new ATOM 715 N PRO A 38 -17.294 -23.536 19.766 1.00 20.00 N ATOM 716 CA PRO A 38 -16.326 -24.120 20.697 1.00 20.00 C ATOM 717 C PRO A 38 -16.180 -23.268 21.952 1.00 20.00 C ATOM 718 O PRO A 38 -15.675 -22.144 21.899 1.00 20.00 O ATOM 719 CB PRO A 38 -15.012 -24.142 19.904 1.00 20.00 C ATOM 720 CG PRO A 38 -15.397 -23.905 18.482 1.00 20.00 C ATOM 721 CD PRO A 38 -16.651 -23.081 18.527 1.00 20.00 C ATOM 0 HA PRO A 38 -16.631 -25.108 21.041 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -14.327 -23.371 20.258 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -14.502 -25.098 20.018 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -14.605 -23.382 17.945 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -15.567 -24.847 17.961 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -16.433 -22.013 18.553 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -17.282 -23.256 17.656 1.00 20.00 H new ATOM 729 N ALA A 39 -16.633 -23.805 23.075 1.00 20.00 N ATOM 730 CA ALA A 39 -16.627 -23.073 24.333 1.00 20.00 C ATOM 731 C ALA A 39 -15.250 -23.098 24.981 1.00 20.00 C ATOM 732 O ALA A 39 -14.983 -23.896 25.885 1.00 20.00 O ATOM 733 CB ALA A 39 -17.671 -23.639 25.283 1.00 20.00 C ATOM 0 H ALA A 39 -17.011 -24.750 23.141 1.00 20.00 H new ATOM 0 HA ALA A 39 -16.876 -22.034 24.116 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -17.653 -23.080 26.219 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -18.659 -23.556 24.830 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -17.451 -24.688 25.483 1.00 20.00 H new ATOM 739 N ILE A 40 -14.381 -22.222 24.511 1.00 20.00 N ATOM 740 CA ILE A 40 -13.042 -22.100 25.061 1.00 20.00 C ATOM 741 C ILE A 40 -13.103 -21.344 26.384 1.00 20.00 C ATOM 742 O ILE A 40 -13.582 -20.209 26.435 1.00 20.00 O ATOM 743 CB ILE A 40 -12.091 -21.372 24.081 1.00 20.00 C ATOM 744 CG1 ILE A 40 -12.057 -22.101 22.732 1.00 20.00 C ATOM 745 CG2 ILE A 40 -10.688 -21.276 24.668 1.00 20.00 C ATOM 746 CD1 ILE A 40 -11.184 -21.428 21.697 1.00 20.00 C ATOM 0 H ILE A 40 -14.580 -21.580 23.744 1.00 20.00 H new ATOM 0 HA ILE A 40 -12.647 -23.103 25.225 1.00 20.00 H new ATOM 0 HB ILE A 40 -12.467 -20.361 23.922 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -11.700 -23.119 22.888 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -13.073 -22.176 22.344 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -10.034 -20.761 23.965 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -10.723 -20.720 25.605 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -10.303 -22.278 24.855 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -11.210 -22.001 20.770 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -11.553 -20.419 21.510 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -10.159 -21.377 22.063 1.00 20.00 H new ATOM 758 N PRO A 41 -12.652 -21.973 27.479 1.00 20.00 N ATOM 759 CA PRO A 41 -12.705 -21.362 28.805 1.00 20.00 C ATOM 760 C PRO A 41 -11.843 -20.104 28.883 1.00 20.00 C ATOM 761 O PRO A 41 -10.655 -20.133 28.554 1.00 20.00 O ATOM 762 CB PRO A 41 -12.154 -22.449 29.740 1.00 20.00 C ATOM 763 CG PRO A 41 -11.401 -23.387 28.860 1.00 20.00 C ATOM 764 CD PRO A 41 -12.052 -23.318 27.506 1.00 20.00 C ATOM 0 HA PRO A 41 -13.715 -21.044 29.066 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -11.504 -22.019 30.502 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -12.961 -22.963 30.262 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -10.350 -23.104 28.800 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -11.435 -24.402 29.256 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -11.325 -23.449 26.704 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -12.806 -24.096 27.383 1.00 20.00 H new ATOM 772 N HIS A 42 -12.444 -19.003 29.328 1.00 20.00 N ATOM 773 CA HIS A 42 -11.729 -17.736 29.432 1.00 20.00 C ATOM 774 C HIS A 42 -10.596 -17.838 30.450 1.00 20.00 C ATOM 775 O HIS A 42 -9.646 -17.062 30.408 1.00 20.00 O ATOM 776 CB HIS A 42 -12.677 -16.572 29.782 1.00 20.00 C ATOM 777 CG HIS A 42 -13.469 -16.746 31.049 1.00 20.00 C ATOM 778 ND1 HIS A 42 -14.798 -17.116 31.060 1.00 20.00 N ATOM 779 CD2 HIS A 42 -13.124 -16.562 32.345 1.00 20.00 C ATOM 780 CE1 HIS A 42 -15.233 -17.150 32.305 1.00 20.00 C ATOM 781 NE2 HIS A 42 -14.237 -16.817 33.102 1.00 20.00 N ATOM 0 H HIS A 42 -13.420 -18.964 29.621 1.00 20.00 H new ATOM 0 HA HIS A 42 -11.298 -17.522 28.454 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -12.089 -15.658 29.864 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -13.373 -16.431 28.955 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -12.152 -16.269 32.714 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -16.234 -17.407 32.618 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -14.287 -16.759 34.119 1.00 20.00 H new ATOM 790 N ASP A 43 -10.700 -18.811 31.355 1.00 20.00 N ATOM 791 CA ASP A 43 -9.635 -19.079 32.319 1.00 20.00 C ATOM 792 C ASP A 43 -8.366 -19.493 31.594 1.00 20.00 C ATOM 793 O ASP A 43 -7.262 -19.088 31.962 1.00 20.00 O ATOM 794 CB ASP A 43 -10.031 -20.189 33.298 1.00 20.00 C ATOM 795 CG ASP A 43 -11.214 -19.823 34.163 1.00 20.00 C ATOM 796 OD1 ASP A 43 -11.012 -19.167 35.203 1.00 20.00 O ATOM 797 OD2 ASP A 43 -12.348 -20.197 33.811 1.00 20.00 O ATOM 0 H ASP A 43 -11.510 -19.425 31.440 1.00 20.00 H new ATOM 0 HA ASP A 43 -9.464 -18.161 32.881 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -10.265 -21.094 32.737 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -9.179 -20.422 33.937 1.00 20.00 H new ATOM 802 N GLU A 44 -8.540 -20.292 30.552 1.00 20.00 N ATOM 803 CA GLU A 44 -7.424 -20.797 29.775 1.00 20.00 C ATOM 804 C GLU A 44 -6.845 -19.693 28.909 1.00 20.00 C ATOM 805 O GLU A 44 -5.631 -19.599 28.742 1.00 20.00 O ATOM 806 CB GLU A 44 -7.864 -21.973 28.903 1.00 20.00 C ATOM 807 CG GLU A 44 -6.765 -22.496 27.996 1.00 20.00 C ATOM 808 CD GLU A 44 -7.186 -23.719 27.216 1.00 20.00 C ATOM 809 OE1 GLU A 44 -7.267 -24.809 27.819 1.00 20.00 O ATOM 810 OE2 GLU A 44 -7.424 -23.602 25.997 1.00 20.00 O ATOM 0 H GLU A 44 -9.454 -20.606 30.225 1.00 20.00 H new ATOM 0 HA GLU A 44 -6.655 -21.146 30.464 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -8.210 -22.782 29.546 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -8.713 -21.665 28.292 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -6.469 -21.711 27.301 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -5.888 -22.737 28.597 1.00 20.00 H new ATOM 817 N VAL A 45 -7.721 -18.852 28.374 1.00 20.00 N ATOM 818 CA VAL A 45 -7.299 -17.736 27.538 1.00 20.00 C ATOM 819 C VAL A 45 -6.370 -16.815 28.318 1.00 20.00 C ATOM 820 O VAL A 45 -5.355 -16.365 27.798 1.00 20.00 O ATOM 821 CB VAL A 45 -8.502 -16.931 27.007 1.00 20.00 C ATOM 822 CG1 VAL A 45 -8.038 -15.765 26.146 1.00 20.00 C ATOM 823 CG2 VAL A 45 -9.439 -17.834 26.221 1.00 20.00 C ATOM 0 H VAL A 45 -8.730 -18.922 28.505 1.00 20.00 H new ATOM 0 HA VAL A 45 -6.768 -18.152 26.682 1.00 20.00 H new ATOM 0 HB VAL A 45 -9.044 -16.526 27.861 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -8.905 -15.213 25.783 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -7.408 -15.102 26.740 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -7.468 -16.143 25.297 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -10.283 -17.251 25.853 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -8.903 -18.268 25.377 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -9.804 -18.631 26.868 1.00 20.00 H new ATOM 833 N GLU A 46 -6.718 -16.562 29.575 1.00 20.00 N ATOM 834 CA GLU A 46 -5.882 -15.750 30.459 1.00 20.00 C ATOM 835 C GLU A 46 -4.488 -16.351 30.595 1.00 20.00 C ATOM 836 O GLU A 46 -3.480 -15.648 30.519 1.00 20.00 O ATOM 837 CB GLU A 46 -6.515 -15.631 31.848 1.00 20.00 C ATOM 838 CG GLU A 46 -7.862 -14.935 31.857 1.00 20.00 C ATOM 839 CD GLU A 46 -8.491 -14.929 33.233 1.00 20.00 C ATOM 840 OE1 GLU A 46 -7.887 -14.357 34.160 1.00 20.00 O ATOM 841 OE2 GLU A 46 -9.600 -15.490 33.392 1.00 20.00 O ATOM 0 H GLU A 46 -7.575 -16.907 30.008 1.00 20.00 H new ATOM 0 HA GLU A 46 -5.802 -14.759 30.013 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -6.631 -16.630 32.269 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -5.833 -15.087 32.501 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -7.742 -13.909 31.510 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -8.531 -15.433 31.155 1.00 20.00 H new ATOM 848 N ARG A 47 -4.444 -17.660 30.781 1.00 20.00 N ATOM 849 CA ARG A 47 -3.188 -18.366 30.992 1.00 20.00 C ATOM 850 C ARG A 47 -2.411 -18.481 29.682 1.00 20.00 C ATOM 851 O ARG A 47 -1.181 -18.480 29.668 1.00 20.00 O ATOM 852 CB ARG A 47 -3.479 -19.749 31.578 1.00 20.00 C ATOM 853 CG ARG A 47 -2.243 -20.526 31.998 1.00 20.00 C ATOM 854 CD ARG A 47 -2.625 -21.851 32.634 1.00 20.00 C ATOM 855 NE ARG A 47 -3.512 -21.661 33.783 1.00 20.00 N ATOM 856 CZ ARG A 47 -4.439 -22.536 34.166 1.00 20.00 C ATOM 857 NH1 ARG A 47 -4.599 -23.675 33.500 1.00 20.00 N ATOM 858 NH2 ARG A 47 -5.206 -22.275 35.218 1.00 20.00 N ATOM 0 H ARG A 47 -5.269 -18.260 30.790 1.00 20.00 H new ATOM 0 HA ARG A 47 -2.571 -17.805 31.694 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -4.132 -19.633 32.443 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -4.028 -20.334 30.840 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -1.609 -20.704 31.130 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -1.659 -19.935 32.703 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -3.117 -22.482 31.894 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -1.724 -22.376 32.952 1.00 20.00 H new ATOM 0 HE ARG A 47 -3.413 -20.803 34.325 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -4.010 -23.881 32.693 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -5.310 -24.343 33.796 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -5.085 -21.403 35.734 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -5.916 -22.946 35.511 1.00 20.00 H new ATOM 872 N ARG A 48 -3.144 -18.565 28.585 1.00 20.00 N ATOM 873 CA ARG A 48 -2.549 -18.650 27.260 1.00 20.00 C ATOM 874 C ARG A 48 -2.000 -17.288 26.847 1.00 20.00 C ATOM 875 O ARG A 48 -0.893 -17.179 26.322 1.00 20.00 O ATOM 876 CB ARG A 48 -3.605 -19.120 26.251 1.00 20.00 C ATOM 877 CG ARG A 48 -3.075 -19.388 24.850 1.00 20.00 C ATOM 878 CD ARG A 48 -2.224 -20.649 24.792 1.00 20.00 C ATOM 879 NE ARG A 48 -1.869 -20.998 23.418 1.00 20.00 N ATOM 880 CZ ARG A 48 -1.229 -22.112 23.070 1.00 20.00 C ATOM 881 NH1 ARG A 48 -0.877 -23.000 23.994 1.00 20.00 N ATOM 882 NH2 ARG A 48 -0.947 -22.341 21.796 1.00 20.00 N ATOM 0 H ARG A 48 -4.164 -18.576 28.586 1.00 20.00 H new ATOM 0 HA ARG A 48 -1.729 -19.368 27.280 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -4.068 -20.031 26.629 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -4.389 -18.366 26.189 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -3.912 -19.484 24.158 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -2.483 -18.536 24.518 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -1.316 -20.502 25.377 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -2.767 -21.476 25.249 1.00 20.00 H new ATOM 0 HE ARG A 48 -2.128 -20.346 22.678 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -1.097 -22.829 24.975 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -0.387 -23.852 23.722 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -1.220 -21.664 21.084 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -0.457 -23.194 21.528 1.00 20.00 H new ATOM 896 N MET A 49 -2.781 -16.251 27.118 1.00 20.00 N ATOM 897 CA MET A 49 -2.424 -14.886 26.754 1.00 20.00 C ATOM 898 C MET A 49 -1.241 -14.400 27.581 1.00 20.00 C ATOM 899 O MET A 49 -0.506 -13.509 27.163 1.00 20.00 O ATOM 900 CB MET A 49 -3.625 -13.963 26.959 1.00 20.00 C ATOM 901 CG MET A 49 -3.469 -12.595 26.318 1.00 20.00 C ATOM 902 SD MET A 49 -3.209 -12.685 24.534 1.00 20.00 S ATOM 903 CE MET A 49 -4.679 -13.573 24.019 1.00 20.00 C ATOM 0 H MET A 49 -3.679 -16.332 27.596 1.00 20.00 H new ATOM 0 HA MET A 49 -2.136 -14.870 25.703 1.00 20.00 H new ATOM 0 HB2 MET A 49 -4.514 -14.445 26.552 1.00 20.00 H new ATOM 0 HB3 MET A 49 -3.793 -13.835 28.028 1.00 20.00 H new ATOM 0 HG2 MET A 49 -4.359 -12.000 26.521 1.00 20.00 H new ATOM 0 HG3 MET A 49 -2.627 -12.077 26.778 1.00 20.00 H new ATOM 0 HE1 MET A 49 -4.832 -13.433 22.949 1.00 20.00 H new ATOM 0 HE2 MET A 49 -4.556 -14.635 24.233 1.00 20.00 H new ATOM 0 HE3 MET A 49 -5.544 -13.191 24.562 1.00 20.00 H new ATOM 913 N ALA A 50 -1.059 -15.002 28.751 1.00 20.00 N ATOM 914 CA ALA A 50 0.073 -14.683 29.611 1.00 20.00 C ATOM 915 C ALA A 50 1.392 -14.906 28.881 1.00 20.00 C ATOM 916 O ALA A 50 2.369 -14.189 29.102 1.00 20.00 O ATOM 917 CB ALA A 50 0.022 -15.520 30.876 1.00 20.00 C ATOM 0 H ALA A 50 -1.684 -15.716 29.126 1.00 20.00 H new ATOM 0 HA ALA A 50 0.010 -13.629 29.882 1.00 20.00 H new ATOM 0 HB1 ALA A 50 0.873 -15.273 31.511 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -0.904 -15.312 31.413 1.00 20.00 H new ATOM 0 HB3 ALA A 50 0.060 -16.577 30.614 1.00 20.00 H new ATOM 923 N GLU A 51 1.406 -15.891 27.997 1.00 20.00 N ATOM 924 CA GLU A 51 2.587 -16.196 27.204 1.00 20.00 C ATOM 925 C GLU A 51 2.761 -15.191 26.074 1.00 20.00 C ATOM 926 O GLU A 51 3.865 -14.979 25.581 1.00 20.00 O ATOM 927 CB GLU A 51 2.497 -17.614 26.644 1.00 20.00 C ATOM 928 CG GLU A 51 2.673 -18.688 27.703 1.00 20.00 C ATOM 929 CD GLU A 51 4.074 -18.705 28.280 1.00 20.00 C ATOM 930 OE1 GLU A 51 4.455 -17.736 28.971 1.00 20.00 O ATOM 931 OE2 GLU A 51 4.806 -19.692 28.046 1.00 20.00 O ATOM 0 H GLU A 51 0.607 -16.497 27.810 1.00 20.00 H new ATOM 0 HA GLU A 51 3.459 -16.128 27.854 1.00 20.00 H new ATOM 0 HB2 GLU A 51 1.529 -17.746 26.160 1.00 20.00 H new ATOM 0 HB3 GLU A 51 3.259 -17.743 25.875 1.00 20.00 H new ATOM 0 HG2 GLU A 51 1.954 -18.524 28.506 1.00 20.00 H new ATOM 0 HG3 GLU A 51 2.450 -19.663 27.269 1.00 20.00 H new ATOM 938 N ARG A 52 1.670 -14.556 25.683 1.00 20.00 N ATOM 939 CA ARG A 52 1.713 -13.561 24.621 1.00 20.00 C ATOM 940 C ARG A 52 2.185 -12.225 25.181 1.00 20.00 C ATOM 941 O ARG A 52 2.642 -11.352 24.444 1.00 20.00 O ATOM 942 CB ARG A 52 0.340 -13.408 23.964 1.00 20.00 C ATOM 943 CG ARG A 52 -0.193 -14.688 23.334 1.00 20.00 C ATOM 944 CD ARG A 52 0.759 -15.238 22.283 1.00 20.00 C ATOM 945 NE ARG A 52 0.237 -16.454 21.664 1.00 20.00 N ATOM 946 CZ ARG A 52 0.963 -17.290 20.920 1.00 20.00 C ATOM 947 NH1 ARG A 52 2.257 -17.066 20.720 1.00 20.00 N ATOM 948 NH2 ARG A 52 0.390 -18.360 20.386 1.00 20.00 N ATOM 0 H ARG A 52 0.744 -14.710 26.083 1.00 20.00 H new ATOM 0 HA ARG A 52 2.417 -13.896 23.859 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -0.372 -13.060 24.712 1.00 20.00 H new ATOM 0 HB3 ARG A 52 0.400 -12.636 23.197 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -0.350 -15.437 24.110 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -1.164 -14.492 22.879 1.00 20.00 H new ATOM 0 HD2 ARG A 52 0.929 -14.483 21.515 1.00 20.00 H new ATOM 0 HD3 ARG A 52 1.725 -15.449 22.742 1.00 20.00 H new ATOM 0 HE ARG A 52 -0.747 -16.679 21.810 1.00 20.00 H new ATOM 0 HH11 ARG A 52 2.704 -16.249 21.137 1.00 20.00 H new ATOM 0 HH12 ARG A 52 2.804 -17.711 20.150 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -0.601 -18.541 20.545 1.00 20.00 H new ATOM 0 HH22 ARG A 52 0.940 -19.002 19.816 1.00 20.00 H new ATOM 962 N PHE A 53 2.086 -12.082 26.498 1.00 20.00 N ATOM 963 CA PHE A 53 2.545 -10.880 27.182 1.00 20.00 C ATOM 964 C PHE A 53 4.068 -10.831 27.241 1.00 20.00 C ATOM 965 O PHE A 53 4.645 -9.815 27.617 1.00 20.00 O ATOM 966 CB PHE A 53 1.982 -10.810 28.602 1.00 20.00 C ATOM 967 CG PHE A 53 0.485 -10.658 28.673 1.00 20.00 C ATOM 968 CD1 PHE A 53 -0.211 -9.963 27.694 1.00 20.00 C ATOM 969 CD2 PHE A 53 -0.227 -11.208 29.729 1.00 20.00 C ATOM 970 CE1 PHE A 53 -1.583 -9.824 27.766 1.00 20.00 C ATOM 971 CE2 PHE A 53 -1.599 -11.070 29.805 1.00 20.00 C ATOM 972 CZ PHE A 53 -2.278 -10.379 28.823 1.00 20.00 C ATOM 0 H PHE A 53 1.689 -12.789 27.116 1.00 20.00 H new ATOM 0 HA PHE A 53 2.184 -10.024 26.612 1.00 20.00 H new ATOM 0 HB2 PHE A 53 2.269 -11.715 29.138 1.00 20.00 H new ATOM 0 HB3 PHE A 53 2.445 -9.971 29.122 1.00 20.00 H new ATOM 0 HD1 PHE A 53 0.327 -9.526 26.866 1.00 20.00 H new ATOM 0 HD2 PHE A 53 0.298 -11.751 30.501 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -2.112 -9.282 26.996 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -2.140 -11.503 30.633 1.00 20.00 H new ATOM 0 HZ PHE A 53 -3.351 -10.272 28.880 1.00 20.00 H new ATOM 982 N ALA A 54 4.709 -11.932 26.858 1.00 20.00 N ATOM 983 CA ALA A 54 6.168 -12.044 26.887 1.00 20.00 C ATOM 984 C ALA A 54 6.843 -10.972 26.033 1.00 20.00 C ATOM 985 O ALA A 54 8.043 -10.728 26.161 1.00 20.00 O ATOM 986 CB ALA A 54 6.596 -13.424 26.420 1.00 20.00 C ATOM 0 H ALA A 54 4.236 -12.770 26.520 1.00 20.00 H new ATOM 0 HA ALA A 54 6.486 -11.892 27.918 1.00 20.00 H new ATOM 0 HB1 ALA A 54 7.683 -13.496 26.446 1.00 20.00 H new ATOM 0 HB2 ALA A 54 6.167 -14.180 27.078 1.00 20.00 H new ATOM 0 HB3 ALA A 54 6.246 -13.588 25.401 1.00 20.00 H new ATOM 992 N LYS A 55 6.062 -10.329 25.171 1.00 20.00 N ATOM 993 CA LYS A 55 6.561 -9.257 24.315 1.00 20.00 C ATOM 994 C LYS A 55 7.031 -8.059 25.143 1.00 20.00 C ATOM 995 O LYS A 55 7.787 -7.215 24.655 1.00 20.00 O ATOM 996 CB LYS A 55 5.468 -8.818 23.339 1.00 20.00 C ATOM 997 CG LYS A 55 4.947 -9.941 22.447 1.00 20.00 C ATOM 998 CD LYS A 55 3.715 -9.524 21.656 1.00 20.00 C ATOM 999 CE LYS A 55 4.054 -8.673 20.435 1.00 20.00 C ATOM 1000 NZ LYS A 55 4.598 -7.333 20.785 1.00 20.00 N ATOM 0 H LYS A 55 5.071 -10.534 25.046 1.00 20.00 H new ATOM 0 HA LYS A 55 7.415 -9.640 23.757 1.00 20.00 H new ATOM 0 HB2 LYS A 55 4.635 -8.401 23.905 1.00 20.00 H new ATOM 0 HB3 LYS A 55 5.857 -8.018 22.709 1.00 20.00 H new ATOM 0 HG2 LYS A 55 5.733 -10.248 21.757 1.00 20.00 H new ATOM 0 HG3 LYS A 55 4.705 -10.808 23.062 1.00 20.00 H new ATOM 0 HD2 LYS A 55 3.177 -10.416 21.333 1.00 20.00 H new ATOM 0 HD3 LYS A 55 3.043 -8.965 22.307 1.00 20.00 H new ATOM 0 HE2 LYS A 55 4.782 -9.204 19.821 1.00 20.00 H new ATOM 0 HE3 LYS A 55 3.157 -8.546 19.828 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 4.271 -6.633 20.089 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 4.266 -7.060 21.732 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 5.637 -7.368 20.779 1.00 20.00 H new ATOM 1014 N MET A 56 6.605 -8.004 26.407 1.00 20.00 N ATOM 1015 CA MET A 56 6.999 -6.924 27.314 1.00 20.00 C ATOM 1016 C MET A 56 8.469 -7.047 27.717 1.00 20.00 C ATOM 1017 O MET A 56 8.955 -6.319 28.581 1.00 20.00 O ATOM 1018 CB MET A 56 6.118 -6.910 28.567 1.00 20.00 C ATOM 1019 CG MET A 56 6.310 -8.120 29.464 1.00 20.00 C ATOM 1020 SD MET A 56 5.305 -8.039 30.955 1.00 20.00 S ATOM 1021 CE MET A 56 5.623 -9.656 31.654 1.00 20.00 C ATOM 0 H MET A 56 5.985 -8.697 26.826 1.00 20.00 H new ATOM 0 HA MET A 56 6.863 -5.985 26.777 1.00 20.00 H new ATOM 0 HB2 MET A 56 6.331 -6.007 29.140 1.00 20.00 H new ATOM 0 HB3 MET A 56 5.072 -6.856 28.264 1.00 20.00 H new ATOM 0 HG2 MET A 56 6.058 -9.024 28.909 1.00 20.00 H new ATOM 0 HG3 MET A 56 7.361 -8.199 29.742 1.00 20.00 H new ATOM 0 HE1 MET A 56 5.070 -9.764 32.587 1.00 20.00 H new ATOM 0 HE2 MET A 56 5.303 -10.425 30.951 1.00 20.00 H new ATOM 0 HE3 MET A 56 6.690 -9.764 31.850 1.00 20.00 H new ATOM 1031 N ARG A 57 9.170 -7.980 27.096 1.00 20.00 N ATOM 1032 CA ARG A 57 10.611 -8.089 27.255 1.00 20.00 C ATOM 1033 C ARG A 57 11.268 -6.797 26.769 1.00 20.00 C ATOM 1034 O ARG A 57 12.320 -6.388 27.263 1.00 20.00 O ATOM 1035 CB ARG A 57 11.117 -9.313 26.475 1.00 20.00 C ATOM 1036 CG ARG A 57 12.615 -9.571 26.572 1.00 20.00 C ATOM 1037 CD ARG A 57 13.384 -8.843 25.478 1.00 20.00 C ATOM 1038 NE ARG A 57 12.921 -9.230 24.146 1.00 20.00 N ATOM 1039 CZ ARG A 57 13.337 -8.667 23.013 1.00 20.00 C ATOM 1040 NH1 ARG A 57 14.229 -7.685 23.043 1.00 20.00 N ATOM 1041 NH2 ARG A 57 12.851 -9.080 21.850 1.00 20.00 N ATOM 0 H ARG A 57 8.762 -8.677 26.473 1.00 20.00 H new ATOM 0 HA ARG A 57 10.872 -8.228 28.304 1.00 20.00 H new ATOM 0 HB2 ARG A 57 10.589 -10.196 26.834 1.00 20.00 H new ATOM 0 HB3 ARG A 57 10.853 -9.189 25.425 1.00 20.00 H new ATOM 0 HG2 ARG A 57 12.977 -9.248 27.548 1.00 20.00 H new ATOM 0 HG3 ARG A 57 12.805 -10.642 26.500 1.00 20.00 H new ATOM 0 HD2 ARG A 57 13.268 -7.767 25.606 1.00 20.00 H new ATOM 0 HD3 ARG A 57 14.447 -9.063 25.572 1.00 20.00 H new ATOM 0 HE ARG A 57 12.234 -9.981 24.080 1.00 20.00 H new ATOM 0 HH11 ARG A 57 14.599 -7.359 23.936 1.00 20.00 H new ATOM 0 HH12 ARG A 57 14.545 -7.256 22.173 1.00 20.00 H new ATOM 0 HH21 ARG A 57 12.159 -9.829 21.823 1.00 20.00 H new ATOM 0 HH22 ARG A 57 13.169 -8.649 20.982 1.00 20.00 H new ATOM 1055 N LYS A 58 10.601 -6.136 25.829 1.00 20.00 N ATOM 1056 CA LYS A 58 11.088 -4.883 25.265 1.00 20.00 C ATOM 1057 C LYS A 58 10.608 -3.688 26.087 1.00 20.00 C ATOM 1058 O LYS A 58 10.726 -2.542 25.658 1.00 20.00 O ATOM 1059 CB LYS A 58 10.597 -4.732 23.828 1.00 20.00 C ATOM 1060 CG LYS A 58 10.953 -5.906 22.931 1.00 20.00 C ATOM 1061 CD LYS A 58 10.414 -5.723 21.519 1.00 20.00 C ATOM 1062 CE LYS A 58 8.896 -5.604 21.504 1.00 20.00 C ATOM 1063 NZ LYS A 58 8.357 -5.495 20.124 1.00 20.00 N ATOM 0 H LYS A 58 9.713 -6.451 25.439 1.00 20.00 H new ATOM 0 HA LYS A 58 12.178 -4.907 25.284 1.00 20.00 H new ATOM 0 HB2 LYS A 58 9.514 -4.608 23.835 1.00 20.00 H new ATOM 0 HB3 LYS A 58 11.020 -3.821 23.403 1.00 20.00 H new ATOM 0 HG2 LYS A 58 12.036 -6.020 22.894 1.00 20.00 H new ATOM 0 HG3 LYS A 58 10.550 -6.825 23.358 1.00 20.00 H new ATOM 0 HD2 LYS A 58 10.853 -4.829 21.075 1.00 20.00 H new ATOM 0 HD3 LYS A 58 10.718 -6.568 20.901 1.00 20.00 H new ATOM 0 HE2 LYS A 58 8.460 -6.474 21.995 1.00 20.00 H new ATOM 0 HE3 LYS A 58 8.596 -4.729 22.080 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 7.321 -5.416 20.161 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 8.752 -4.651 19.663 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 8.620 -6.342 19.581 1.00 20.00 H new ATOM 1077 N GLU A 59 10.054 -3.959 27.259 1.00 20.00 N ATOM 1078 CA GLU A 59 9.542 -2.904 28.121 1.00 20.00 C ATOM 1079 C GLU A 59 10.637 -2.394 29.054 1.00 20.00 C ATOM 1080 O GLU A 59 10.676 -1.214 29.396 1.00 20.00 O ATOM 1081 CB GLU A 59 8.354 -3.420 28.940 1.00 20.00 C ATOM 1082 CG GLU A 59 7.611 -2.339 29.705 1.00 20.00 C ATOM 1083 CD GLU A 59 6.875 -1.386 28.789 1.00 20.00 C ATOM 1084 OE1 GLU A 59 7.470 -0.373 28.367 1.00 20.00 O ATOM 1085 OE2 GLU A 59 5.692 -1.648 28.481 1.00 20.00 O ATOM 0 H GLU A 59 9.947 -4.901 27.635 1.00 20.00 H new ATOM 0 HA GLU A 59 9.208 -2.078 27.493 1.00 20.00 H new ATOM 0 HB2 GLU A 59 7.655 -3.921 28.270 1.00 20.00 H new ATOM 0 HB3 GLU A 59 8.712 -4.169 29.646 1.00 20.00 H new ATOM 0 HG2 GLU A 59 6.900 -2.804 30.388 1.00 20.00 H new ATOM 0 HG3 GLU A 59 8.319 -1.778 30.315 1.00 20.00 H new ATOM 1092 N ARG A 60 11.534 -3.285 29.449 1.00 20.00 N ATOM 1093 CA ARG A 60 12.567 -2.942 30.419 1.00 20.00 C ATOM 1094 C ARG A 60 13.965 -3.110 29.829 1.00 20.00 C ATOM 1095 O ARG A 60 14.935 -3.326 30.558 1.00 20.00 O ATOM 1096 CB ARG A 60 12.416 -3.800 31.680 1.00 20.00 C ATOM 1097 CG ARG A 60 11.083 -3.606 32.389 1.00 20.00 C ATOM 1098 CD ARG A 60 10.957 -4.509 33.604 1.00 20.00 C ATOM 1099 NE ARG A 60 9.692 -4.303 34.307 1.00 20.00 N ATOM 1100 CZ ARG A 60 9.353 -4.933 35.430 1.00 20.00 C ATOM 1101 NH1 ARG A 60 10.185 -5.804 35.985 1.00 20.00 N ATOM 1102 NH2 ARG A 60 8.182 -4.690 35.999 1.00 20.00 N ATOM 0 H ARG A 60 11.569 -4.248 29.115 1.00 20.00 H new ATOM 0 HA ARG A 60 12.441 -1.892 30.685 1.00 20.00 H new ATOM 0 HB2 ARG A 60 12.526 -4.850 31.411 1.00 20.00 H new ATOM 0 HB3 ARG A 60 13.224 -3.562 32.371 1.00 20.00 H new ATOM 0 HG2 ARG A 60 10.983 -2.565 32.697 1.00 20.00 H new ATOM 0 HG3 ARG A 60 10.268 -3.813 31.695 1.00 20.00 H new ATOM 0 HD2 ARG A 60 11.033 -5.551 33.292 1.00 20.00 H new ATOM 0 HD3 ARG A 60 11.786 -4.319 34.285 1.00 20.00 H new ATOM 0 HE ARG A 60 9.028 -3.636 33.913 1.00 20.00 H new ATOM 0 HH11 ARG A 60 11.089 -5.994 35.552 1.00 20.00 H new ATOM 0 HH12 ARG A 60 9.921 -6.284 36.845 1.00 20.00 H new ATOM 0 HH21 ARG A 60 7.539 -4.020 35.577 1.00 20.00 H new ATOM 0 HH22 ARG A 60 7.923 -5.173 36.859 1.00 20.00 H new ATOM 1116 N SER A 61 14.044 -3.016 28.498 1.00 20.00 N ATOM 1117 CA SER A 61 15.309 -3.120 27.770 1.00 20.00 C ATOM 1118 C SER A 61 16.090 -4.372 28.176 1.00 20.00 C ATOM 1119 O SER A 61 17.253 -4.296 28.563 1.00 20.00 O ATOM 1120 CB SER A 61 16.152 -1.862 28.005 1.00 20.00 C ATOM 1121 OG SER A 61 15.456 -0.700 27.575 1.00 20.00 O ATOM 0 H SER A 61 13.233 -2.866 27.897 1.00 20.00 H new ATOM 0 HA SER A 61 15.082 -3.206 26.707 1.00 20.00 H new ATOM 0 HB2 SER A 61 16.395 -1.775 29.064 1.00 20.00 H new ATOM 0 HB3 SER A 61 17.096 -1.946 27.467 1.00 20.00 H new ATOM 0 HG SER A 61 16.011 0.092 27.735 1.00 20.00 H new ATOM 1127 N LYS A 62 15.445 -5.525 28.077 1.00 20.00 N ATOM 1128 CA LYS A 62 16.068 -6.774 28.482 1.00 20.00 C ATOM 1129 C LYS A 62 16.852 -7.387 27.328 1.00 20.00 C ATOM 1130 O LYS A 62 16.313 -8.145 26.522 1.00 20.00 O ATOM 1131 CB LYS A 62 15.014 -7.757 28.994 1.00 20.00 C ATOM 1132 CG LYS A 62 14.392 -7.337 30.316 1.00 20.00 C ATOM 1133 CD LYS A 62 13.345 -8.332 30.783 1.00 20.00 C ATOM 1134 CE LYS A 62 12.875 -8.015 32.193 1.00 20.00 C ATOM 1135 NZ LYS A 62 11.830 -8.961 32.666 1.00 20.00 N ATOM 0 H LYS A 62 14.494 -5.621 27.721 1.00 20.00 H new ATOM 0 HA LYS A 62 16.765 -6.560 29.292 1.00 20.00 H new ATOM 0 HB2 LYS A 62 14.227 -7.858 28.246 1.00 20.00 H new ATOM 0 HB3 LYS A 62 15.470 -8.740 29.111 1.00 20.00 H new ATOM 0 HG2 LYS A 62 15.171 -7.246 31.073 1.00 20.00 H new ATOM 0 HG3 LYS A 62 13.936 -6.353 30.208 1.00 20.00 H new ATOM 0 HD2 LYS A 62 12.495 -8.316 30.101 1.00 20.00 H new ATOM 0 HD3 LYS A 62 13.759 -9.340 30.753 1.00 20.00 H new ATOM 0 HE2 LYS A 62 13.726 -8.048 32.873 1.00 20.00 H new ATOM 0 HE3 LYS A 62 12.482 -6.999 32.223 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 11.541 -8.705 33.632 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 11.006 -8.912 32.034 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 12.211 -9.929 32.664 1.00 20.00 H new ATOM 1149 N GLN A 63 18.127 -7.045 27.247 1.00 20.00 N ATOM 1150 CA GLN A 63 18.994 -7.577 26.211 1.00 20.00 C ATOM 1151 C GLN A 63 20.330 -8.008 26.801 1.00 20.00 C ATOM 1152 O GLN A 63 20.524 -9.221 27.003 1.00 20.00 O ATOM 1153 CB GLN A 63 19.192 -6.551 25.087 1.00 20.00 C ATOM 1154 CG GLN A 63 19.562 -5.156 25.569 1.00 20.00 C ATOM 1155 CD GLN A 63 19.764 -4.178 24.430 1.00 20.00 C ATOM 1156 OE1 GLN A 63 18.822 -3.515 23.991 1.00 20.00 O ATOM 1157 NE2 GLN A 63 20.990 -4.081 23.943 1.00 20.00 N ATOM 1158 OXT GLN A 63 21.178 -7.138 27.076 1.00 20.00 O ATOM 0 H GLN A 63 18.585 -6.399 27.889 1.00 20.00 H new ATOM 0 HA GLN A 63 18.515 -8.456 25.780 1.00 20.00 H new ATOM 0 HB2 GLN A 63 19.973 -6.910 24.417 1.00 20.00 H new ATOM 0 HB3 GLN A 63 18.274 -6.489 24.502 1.00 20.00 H new ATOM 0 HG2 GLN A 63 18.777 -4.784 26.227 1.00 20.00 H new ATOM 0 HG3 GLN A 63 20.475 -5.211 26.161 1.00 20.00 H new ATOM 0 HE21 GLN A 63 21.741 -4.648 24.336 1.00 20.00 H new ATOM 0 HE22 GLN A 63 21.184 -3.439 23.175 1.00 20.00 H new TER 1167 GLN A 63