USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=19 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 55 LYS NZ :NH3+ 147:sc= 2.39 (180deg=0.3) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 1.02 USER MOD Single : A 1 LYS NZ :NH3+ 173:sc= 1.15 (180deg=1.15) USER MOD Single : A 2 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.4) USER MOD Single : A 6 SER OG : rot 43:sc= 0.384 USER MOD Single : A 8 MET CE :methyl -159:sc= -0.166 (180deg=-0.78) USER MOD Single : A -4 LYS NZ :NH3+ 146:sc= -1.53 (180deg=-3.23!) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl -158:sc= -0.142 (180deg=-0.691) USER MOD Single : A -7 MET N :NH3+ 179:sc= -0.12 (180deg=-0.132) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0386 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 19 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.0086) USER MOD Single : A 20 SER OG : rot 180:sc= -0.576 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc=-0.00751 (180deg=-0.162) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -56:sc= 0.176 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 49 MET CE :methyl 161:sc= -0.0858 (180deg=-0.532) USER MOD Single : A 56 MET CE :methyl 157:sc= -0.173 (180deg=-0.78) USER MOD Single : A 58 LYS NZ :NH3+ 134:sc= 0.141 (180deg=-0.283) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -53.071 -5.111 17.288 1.00 20.00 N ATOM 2 CA MET A -7 -53.523 -6.509 17.493 1.00 20.00 C ATOM 3 C MET A -7 -52.340 -7.460 17.657 1.00 20.00 C ATOM 4 O MET A -7 -52.525 -8.667 17.820 1.00 20.00 O ATOM 5 CB MET A -7 -54.381 -6.978 16.310 1.00 20.00 C ATOM 6 CG MET A -7 -53.644 -6.962 14.978 1.00 20.00 C ATOM 7 SD MET A -7 -54.567 -7.772 13.657 1.00 20.00 S ATOM 8 CE MET A -7 -54.556 -9.471 14.228 1.00 20.00 C ATOM 0 H1 MET A -7 -53.898 -4.493 17.163 1.00 20.00 H new ATOM 0 H2 MET A -7 -52.527 -4.797 18.117 1.00 20.00 H new ATOM 0 H3 MET A -7 -52.471 -5.061 16.440 1.00 20.00 H new ATOM 0 HA MET A -7 -54.117 -6.525 18.407 1.00 20.00 H new ATOM 0 HB2 MET A -7 -54.735 -7.990 16.508 1.00 20.00 H new ATOM 0 HB3 MET A -7 -55.262 -6.341 16.236 1.00 20.00 H new ATOM 0 HG2 MET A -7 -53.441 -5.930 14.693 1.00 20.00 H new ATOM 0 HG3 MET A -7 -52.679 -7.455 15.096 1.00 20.00 H new ATOM 0 HE1 MET A -7 -54.723 -10.140 13.384 1.00 20.00 H new ATOM 0 HE2 MET A -7 -53.591 -9.696 14.683 1.00 20.00 H new ATOM 0 HE3 MET A -7 -55.347 -9.612 14.965 1.00 20.00 H new ATOM 20 N ASP A -6 -51.125 -6.932 17.609 1.00 20.00 N ATOM 21 CA ASP A -6 -49.941 -7.782 17.649 1.00 20.00 C ATOM 22 C ASP A -6 -49.118 -7.531 18.909 1.00 20.00 C ATOM 23 O ASP A -6 -48.099 -8.185 19.142 1.00 20.00 O ATOM 24 CB ASP A -6 -49.088 -7.546 16.398 1.00 20.00 C ATOM 25 CG ASP A -6 -47.940 -8.529 16.268 1.00 20.00 C ATOM 26 OD1 ASP A -6 -48.202 -9.726 16.023 1.00 20.00 O ATOM 27 OD2 ASP A -6 -46.772 -8.104 16.390 1.00 20.00 O ATOM 0 H ASP A -6 -50.933 -5.932 17.543 1.00 20.00 H new ATOM 0 HA ASP A -6 -50.268 -8.821 17.670 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -49.722 -7.618 15.514 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -48.689 -6.532 16.423 1.00 20.00 H new ATOM 32 N TYR A -5 -49.568 -6.599 19.735 1.00 20.00 N ATOM 33 CA TYR A -5 -48.844 -6.259 20.952 1.00 20.00 C ATOM 34 C TYR A -5 -49.768 -6.288 22.164 1.00 20.00 C ATOM 35 O TYR A -5 -50.955 -5.983 22.060 1.00 20.00 O ATOM 36 CB TYR A -5 -48.170 -4.880 20.823 1.00 20.00 C ATOM 37 CG TYR A -5 -49.129 -3.719 20.642 1.00 20.00 C ATOM 38 CD1 TYR A -5 -49.526 -3.312 19.375 1.00 20.00 C ATOM 39 CD2 TYR A -5 -49.627 -3.024 21.739 1.00 20.00 C ATOM 40 CE1 TYR A -5 -50.394 -2.249 19.207 1.00 20.00 C ATOM 41 CE2 TYR A -5 -50.494 -1.961 21.578 1.00 20.00 C ATOM 42 CZ TYR A -5 -50.873 -1.577 20.311 1.00 20.00 C ATOM 43 OH TYR A -5 -51.740 -0.520 20.146 1.00 20.00 O ATOM 0 H TYR A -5 -50.426 -6.067 19.587 1.00 20.00 H new ATOM 0 HA TYR A -5 -48.067 -7.009 21.097 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -47.568 -4.700 21.714 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -47.485 -4.903 19.975 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -49.151 -3.834 18.507 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -49.331 -3.321 22.734 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -50.695 -1.947 18.215 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -50.873 -1.434 22.441 1.00 20.00 H new ATOM 0 HH TYR A -5 -51.984 -0.157 21.023 1.00 20.00 H new ATOM 53 N LYS A -4 -49.218 -6.672 23.306 1.00 20.00 N ATOM 54 CA LYS A -4 -49.968 -6.684 24.557 1.00 20.00 C ATOM 55 C LYS A -4 -49.326 -5.726 25.548 1.00 20.00 C ATOM 56 O LYS A -4 -49.788 -5.561 26.679 1.00 20.00 O ATOM 57 CB LYS A -4 -50.014 -8.095 25.144 1.00 20.00 C ATOM 58 CG LYS A -4 -50.685 -9.115 24.234 1.00 20.00 C ATOM 59 CD LYS A -4 -50.658 -10.520 24.826 1.00 20.00 C ATOM 60 CE LYS A -4 -49.323 -11.226 24.611 1.00 20.00 C ATOM 61 NZ LYS A -4 -48.202 -10.595 25.363 1.00 20.00 N ATOM 0 H LYS A -4 -48.250 -6.981 23.394 1.00 20.00 H new ATOM 0 HA LYS A -4 -50.990 -6.363 24.356 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -48.997 -8.424 25.356 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -50.544 -8.066 26.096 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -51.718 -8.817 24.057 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -50.184 -9.121 23.266 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -50.866 -10.463 25.894 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -51.454 -11.114 24.377 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -49.416 -12.268 24.916 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -49.085 -11.225 23.547 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -47.531 -11.329 25.668 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -47.713 -9.913 24.749 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -48.578 -10.102 26.198 1.00 20.00 H new ATOM 75 N ASP A -3 -48.251 -5.098 25.106 1.00 20.00 N ATOM 76 CA ASP A -3 -47.522 -4.140 25.917 1.00 20.00 C ATOM 77 C ASP A -3 -47.455 -2.806 25.197 1.00 20.00 C ATOM 78 O ASP A -3 -47.361 -2.758 23.969 1.00 20.00 O ATOM 79 CB ASP A -3 -46.104 -4.644 26.200 1.00 20.00 C ATOM 80 CG ASP A -3 -46.051 -5.659 27.322 1.00 20.00 C ATOM 81 OD1 ASP A -3 -46.180 -6.869 27.049 1.00 20.00 O ATOM 82 OD2 ASP A -3 -45.869 -5.244 28.486 1.00 20.00 O ATOM 0 H ASP A -3 -47.859 -5.238 24.175 1.00 20.00 H new ATOM 0 HA ASP A -3 -48.045 -4.017 26.865 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -45.695 -5.091 25.294 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -45.467 -3.797 26.453 1.00 20.00 H new ATOM 87 N ASP A -2 -47.509 -1.724 25.969 1.00 20.00 N ATOM 88 CA ASP A -2 -47.424 -0.378 25.408 1.00 20.00 C ATOM 89 C ASP A -2 -46.073 -0.156 24.759 1.00 20.00 C ATOM 90 O ASP A -2 -45.963 0.611 23.813 1.00 20.00 O ATOM 91 CB ASP A -2 -47.671 0.690 26.475 1.00 20.00 C ATOM 92 CG ASP A -2 -49.131 0.790 26.863 1.00 20.00 C ATOM 93 OD1 ASP A -2 -49.872 1.545 26.202 1.00 20.00 O ATOM 94 OD2 ASP A -2 -49.544 0.115 27.826 1.00 20.00 O ATOM 0 H ASP A -2 -47.611 -1.752 26.983 1.00 20.00 H new ATOM 0 HA ASP A -2 -48.203 -0.289 24.651 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -47.077 0.460 27.360 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -47.329 1.656 26.104 1.00 20.00 H new ATOM 99 N ASP A -1 -45.064 -0.813 25.346 1.00 20.00 N ATOM 100 CA ASP A -1 -43.706 -0.987 24.787 1.00 20.00 C ATOM 101 C ASP A -1 -43.211 0.177 23.925 1.00 20.00 C ATOM 102 O ASP A -1 -42.426 1.004 24.383 1.00 20.00 O ATOM 103 CB ASP A -1 -43.629 -2.287 23.983 1.00 20.00 C ATOM 104 CG ASP A -1 -42.212 -2.612 23.554 1.00 20.00 C ATOM 105 OD1 ASP A -1 -41.461 -3.189 24.369 1.00 20.00 O ATOM 106 OD2 ASP A -1 -41.837 -2.287 22.408 1.00 20.00 O ATOM 0 H ASP A -1 -45.170 -1.257 26.258 1.00 20.00 H new ATOM 0 HA ASP A -1 -43.043 -1.022 25.652 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -44.022 -3.107 24.583 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -44.264 -2.205 23.101 1.00 20.00 H new ATOM 111 N ASP A 0 -43.666 0.217 22.677 1.00 20.00 N ATOM 112 CA ASP A 0 -43.234 1.221 21.705 1.00 20.00 C ATOM 113 C ASP A 0 -43.530 2.645 22.180 1.00 20.00 C ATOM 114 O ASP A 0 -42.858 3.599 21.783 1.00 20.00 O ATOM 115 CB ASP A 0 -43.923 0.951 20.362 1.00 20.00 C ATOM 116 CG ASP A 0 -43.673 2.033 19.333 1.00 20.00 C ATOM 117 OD1 ASP A 0 -42.553 2.097 18.786 1.00 20.00 O ATOM 118 OD2 ASP A 0 -44.605 2.816 19.054 1.00 20.00 O ATOM 0 H ASP A 0 -44.347 -0.447 22.308 1.00 20.00 H new ATOM 0 HA ASP A 0 -42.153 1.142 21.591 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -43.574 -0.003 19.968 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -44.996 0.855 20.525 1.00 20.00 H new ATOM 123 N LYS A 1 -44.523 2.785 23.044 1.00 20.00 N ATOM 124 CA LYS A 1 -44.917 4.098 23.544 1.00 20.00 C ATOM 125 C LYS A 1 -44.202 4.445 24.848 1.00 20.00 C ATOM 126 O LYS A 1 -44.443 5.509 25.419 1.00 20.00 O ATOM 127 CB LYS A 1 -46.431 4.170 23.759 1.00 20.00 C ATOM 128 CG LYS A 1 -47.245 3.980 22.487 1.00 20.00 C ATOM 129 CD LYS A 1 -48.704 4.371 22.687 1.00 20.00 C ATOM 130 CE LYS A 1 -49.345 3.616 23.842 1.00 20.00 C ATOM 131 NZ LYS A 1 -49.420 2.154 23.589 1.00 20.00 N ATOM 0 H LYS A 1 -45.071 2.009 23.415 1.00 20.00 H new ATOM 0 HA LYS A 1 -44.625 4.825 22.786 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -46.722 3.408 24.482 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -46.680 5.137 24.197 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -46.814 4.581 21.686 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -47.188 2.939 22.171 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -48.769 5.443 22.874 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -49.261 4.173 21.771 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -48.773 3.796 24.752 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -50.349 4.004 24.014 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -49.753 1.670 24.447 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -50.082 1.970 22.808 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -48.477 1.797 23.334 1.00 20.00 H new ATOM 145 N ASN A 2 -43.334 3.554 25.319 1.00 20.00 N ATOM 146 CA ASN A 2 -42.607 3.781 26.569 1.00 20.00 C ATOM 147 C ASN A 2 -41.488 4.801 26.380 1.00 20.00 C ATOM 148 O ASN A 2 -40.303 4.459 26.411 1.00 20.00 O ATOM 149 CB ASN A 2 -42.016 2.481 27.124 1.00 20.00 C ATOM 150 CG ASN A 2 -43.065 1.535 27.673 1.00 20.00 C ATOM 151 OD1 ASN A 2 -44.115 1.960 28.156 1.00 20.00 O ATOM 152 ND2 ASN A 2 -42.780 0.242 27.611 1.00 20.00 N ATOM 0 H ASN A 2 -43.116 2.671 24.858 1.00 20.00 H new ATOM 0 HA ASN A 2 -43.331 4.171 27.285 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -41.459 1.977 26.335 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -41.304 2.721 27.913 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -43.443 -0.444 27.972 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -41.898 -0.067 27.202 1.00 20.00 H new ATOM 159 N ARG A 3 -41.872 6.056 26.210 1.00 20.00 N ATOM 160 CA ARG A 3 -40.919 7.140 26.034 1.00 20.00 C ATOM 161 C ARG A 3 -40.222 7.438 27.359 1.00 20.00 C ATOM 162 O ARG A 3 -39.152 8.048 27.398 1.00 20.00 O ATOM 163 CB ARG A 3 -41.647 8.384 25.515 1.00 20.00 C ATOM 164 CG ARG A 3 -40.727 9.491 25.032 1.00 20.00 C ATOM 165 CD ARG A 3 -41.529 10.682 24.535 1.00 20.00 C ATOM 166 NE ARG A 3 -40.680 11.717 23.950 1.00 20.00 N ATOM 167 CZ ARG A 3 -41.145 12.864 23.459 1.00 20.00 C ATOM 168 NH1 ARG A 3 -42.442 13.144 23.524 1.00 20.00 N ATOM 169 NH2 ARG A 3 -40.312 13.738 22.911 1.00 20.00 N ATOM 0 H ARG A 3 -42.848 6.351 26.190 1.00 20.00 H new ATOM 0 HA ARG A 3 -40.163 6.847 25.305 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -42.304 8.091 24.696 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -42.282 8.776 26.309 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -40.069 9.803 25.843 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -40.090 9.116 24.231 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -42.252 10.346 23.792 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -42.097 11.106 25.363 1.00 20.00 H new ATOM 0 HE ARG A 3 -39.674 11.552 23.916 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -43.087 12.479 23.951 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -42.793 14.024 23.146 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -39.314 13.532 22.865 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -40.669 14.616 22.535 1.00 20.00 H new ATOM 183 N ALA A 4 -40.847 6.997 28.443 1.00 20.00 N ATOM 184 CA ALA A 4 -40.270 7.127 29.771 1.00 20.00 C ATOM 185 C ALA A 4 -39.171 6.090 29.984 1.00 20.00 C ATOM 186 O ALA A 4 -38.197 6.339 30.697 1.00 20.00 O ATOM 187 CB ALA A 4 -41.350 6.977 30.831 1.00 20.00 C ATOM 0 H ALA A 4 -41.760 6.543 28.426 1.00 20.00 H new ATOM 0 HA ALA A 4 -39.828 8.119 29.859 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -40.905 7.076 31.821 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -42.105 7.751 30.693 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -41.816 5.996 30.740 1.00 20.00 H new ATOM 193 N LEU A 5 -39.336 4.926 29.363 1.00 20.00 N ATOM 194 CA LEU A 5 -38.346 3.862 29.464 1.00 20.00 C ATOM 195 C LEU A 5 -37.210 4.114 28.488 1.00 20.00 C ATOM 196 O LEU A 5 -36.038 4.058 28.858 1.00 20.00 O ATOM 197 CB LEU A 5 -38.985 2.493 29.188 1.00 20.00 C ATOM 198 CG LEU A 5 -38.025 1.297 29.228 1.00 20.00 C ATOM 199 CD1 LEU A 5 -37.422 1.127 30.614 1.00 20.00 C ATOM 200 CD2 LEU A 5 -38.740 0.024 28.800 1.00 20.00 C ATOM 0 H LEU A 5 -40.145 4.697 28.786 1.00 20.00 H new ATOM 0 HA LEU A 5 -37.950 3.856 30.480 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -39.776 2.327 29.919 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -39.459 2.524 28.207 1.00 20.00 H new ATOM 0 HG LEU A 5 -37.213 1.493 28.527 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -36.746 0.272 30.614 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -36.869 2.027 30.883 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -38.218 0.960 31.339 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -38.043 -0.814 28.835 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -39.574 -0.169 29.475 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -39.116 0.142 27.784 1.00 20.00 H new ATOM 212 N SER A 6 -37.561 4.408 27.247 1.00 20.00 N ATOM 213 CA SER A 6 -36.574 4.678 26.226 1.00 20.00 C ATOM 214 C SER A 6 -36.700 6.118 25.742 1.00 20.00 C ATOM 215 O SER A 6 -37.586 6.435 24.947 1.00 20.00 O ATOM 216 CB SER A 6 -36.735 3.696 25.059 1.00 20.00 C ATOM 217 OG SER A 6 -38.070 3.681 24.574 1.00 20.00 O ATOM 0 H SER A 6 -38.527 4.465 26.926 1.00 20.00 H new ATOM 0 HA SER A 6 -35.579 4.544 26.651 1.00 20.00 H new ATOM 0 HB2 SER A 6 -36.056 3.973 24.252 1.00 20.00 H new ATOM 0 HB3 SER A 6 -36.453 2.694 25.383 1.00 20.00 H new ATOM 0 HG SER A 6 -38.408 4.599 24.519 1.00 20.00 H new ATOM 223 N PRO A 7 -35.838 7.017 26.251 1.00 20.00 N ATOM 224 CA PRO A 7 -35.803 8.414 25.810 1.00 20.00 C ATOM 225 C PRO A 7 -35.599 8.510 24.306 1.00 20.00 C ATOM 226 O PRO A 7 -36.222 9.330 23.629 1.00 20.00 O ATOM 227 CB PRO A 7 -34.602 9.003 26.560 1.00 20.00 C ATOM 228 CG PRO A 7 -34.426 8.120 27.746 1.00 20.00 C ATOM 229 CD PRO A 7 -34.841 6.746 27.302 1.00 20.00 C ATOM 0 HA PRO A 7 -36.734 8.941 26.017 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -33.709 9.009 25.935 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -34.789 10.034 26.859 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -33.390 8.124 28.086 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -35.037 8.462 28.581 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -33.996 6.175 26.917 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -35.268 6.170 28.123 1.00 20.00 H new ATOM 237 N MET A 8 -34.724 7.658 23.791 1.00 20.00 N ATOM 238 CA MET A 8 -34.532 7.535 22.359 1.00 20.00 C ATOM 239 C MET A 8 -35.285 6.313 21.850 1.00 20.00 C ATOM 240 O MET A 8 -34.874 5.176 22.094 1.00 20.00 O ATOM 241 CB MET A 8 -33.045 7.425 22.012 1.00 20.00 C ATOM 242 CG MET A 8 -32.781 7.296 20.518 1.00 20.00 C ATOM 243 SD MET A 8 -31.023 7.287 20.112 1.00 20.00 S ATOM 244 CE MET A 8 -30.540 8.922 20.665 1.00 20.00 C ATOM 0 H MET A 8 -34.135 7.040 24.349 1.00 20.00 H new ATOM 0 HA MET A 8 -34.923 8.430 21.875 1.00 20.00 H new ATOM 0 HB2 MET A 8 -32.525 8.305 22.391 1.00 20.00 H new ATOM 0 HB3 MET A 8 -32.623 6.560 22.524 1.00 20.00 H new ATOM 0 HG2 MET A 8 -33.238 6.377 20.152 1.00 20.00 H new ATOM 0 HG3 MET A 8 -33.265 8.122 19.996 1.00 20.00 H new ATOM 0 HE1 MET A 8 -29.616 9.216 20.167 1.00 20.00 H new ATOM 0 HE2 MET A 8 -31.327 9.636 20.422 1.00 20.00 H new ATOM 0 HE3 MET A 8 -30.382 8.910 21.743 1.00 20.00 H new ATOM 254 N VAL A 9 -36.396 6.553 21.169 1.00 20.00 N ATOM 255 CA VAL A 9 -37.230 5.472 20.658 1.00 20.00 C ATOM 256 C VAL A 9 -36.488 4.675 19.585 1.00 20.00 C ATOM 257 O VAL A 9 -35.919 5.244 18.651 1.00 20.00 O ATOM 258 CB VAL A 9 -38.576 6.005 20.098 1.00 20.00 C ATOM 259 CG1 VAL A 9 -38.356 7.034 18.999 1.00 20.00 C ATOM 260 CG2 VAL A 9 -39.446 4.864 19.591 1.00 20.00 C ATOM 0 H VAL A 9 -36.742 7.489 20.957 1.00 20.00 H new ATOM 0 HA VAL A 9 -37.454 4.810 21.495 1.00 20.00 H new ATOM 0 HB VAL A 9 -39.096 6.498 20.919 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -39.320 7.385 18.631 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -37.791 7.877 19.397 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -37.799 6.578 18.180 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -40.383 5.265 19.204 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -38.923 4.333 18.796 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -39.656 4.176 20.409 1.00 20.00 H new ATOM 270 N SER A 10 -36.471 3.359 19.746 1.00 20.00 N ATOM 271 CA SER A 10 -35.813 2.478 18.795 1.00 20.00 C ATOM 272 C SER A 10 -36.589 2.432 17.482 1.00 20.00 C ATOM 273 O SER A 10 -37.733 1.972 17.438 1.00 20.00 O ATOM 274 CB SER A 10 -35.692 1.073 19.385 1.00 20.00 C ATOM 275 OG SER A 10 -35.097 1.114 20.672 1.00 20.00 O ATOM 0 H SER A 10 -36.908 2.877 20.531 1.00 20.00 H new ATOM 0 HA SER A 10 -34.815 2.866 18.592 1.00 20.00 H new ATOM 0 HB2 SER A 10 -36.679 0.616 19.451 1.00 20.00 H new ATOM 0 HB3 SER A 10 -35.094 0.447 18.723 1.00 20.00 H new ATOM 0 HG SER A 10 -35.031 0.205 21.031 1.00 20.00 H new ATOM 281 N GLU A 11 -35.975 2.925 16.418 1.00 20.00 N ATOM 282 CA GLU A 11 -36.616 2.947 15.113 1.00 20.00 C ATOM 283 C GLU A 11 -36.107 1.800 14.255 1.00 20.00 C ATOM 284 O GLU A 11 -35.065 1.210 14.540 1.00 20.00 O ATOM 285 CB GLU A 11 -36.349 4.277 14.400 1.00 20.00 C ATOM 286 CG GLU A 11 -36.732 5.502 15.211 1.00 20.00 C ATOM 287 CD GLU A 11 -36.591 6.782 14.418 1.00 20.00 C ATOM 288 OE1 GLU A 11 -35.445 7.197 14.144 1.00 20.00 O ATOM 289 OE2 GLU A 11 -37.630 7.381 14.069 1.00 20.00 O ATOM 0 H GLU A 11 -35.033 3.316 16.433 1.00 20.00 H new ATOM 0 HA GLU A 11 -37.690 2.836 15.262 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -35.290 4.337 14.150 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -36.900 4.290 13.460 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -37.762 5.401 15.553 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -36.104 5.557 16.100 1.00 20.00 H new ATOM 296 N PHE A 12 -36.847 1.487 13.204 1.00 20.00 N ATOM 297 CA PHE A 12 -36.460 0.431 12.282 1.00 20.00 C ATOM 298 C PHE A 12 -35.625 1.008 11.148 1.00 20.00 C ATOM 299 O PHE A 12 -35.642 0.500 10.024 1.00 20.00 O ATOM 300 CB PHE A 12 -37.696 -0.267 11.715 1.00 20.00 C ATOM 301 CG PHE A 12 -38.579 -0.890 12.762 1.00 20.00 C ATOM 302 CD1 PHE A 12 -38.178 -2.034 13.434 1.00 20.00 C ATOM 303 CD2 PHE A 12 -39.809 -0.331 13.076 1.00 20.00 C ATOM 304 CE1 PHE A 12 -38.985 -2.608 14.396 1.00 20.00 C ATOM 305 CE2 PHE A 12 -40.620 -0.904 14.036 1.00 20.00 C ATOM 306 CZ PHE A 12 -40.208 -2.043 14.697 1.00 20.00 C ATOM 0 H PHE A 12 -37.724 1.952 12.967 1.00 20.00 H new ATOM 0 HA PHE A 12 -35.865 -0.302 12.827 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -38.280 0.456 11.145 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -37.376 -1.040 11.017 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -37.223 -2.482 13.202 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -40.136 0.562 12.564 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -38.660 -3.499 14.913 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -41.577 -0.461 14.269 1.00 20.00 H new ATOM 0 HZ PHE A 12 -40.841 -2.492 15.448 1.00 20.00 H new ATOM 316 N GLU A 13 -34.902 2.080 11.453 1.00 20.00 N ATOM 317 CA GLU A 13 -34.058 2.744 10.475 1.00 20.00 C ATOM 318 C GLU A 13 -32.945 1.807 10.026 1.00 20.00 C ATOM 319 O GLU A 13 -32.087 1.419 10.821 1.00 20.00 O ATOM 320 CB GLU A 13 -33.461 4.026 11.055 1.00 20.00 C ATOM 321 CG GLU A 13 -32.616 4.804 10.061 1.00 20.00 C ATOM 322 CD GLU A 13 -31.961 6.021 10.674 1.00 20.00 C ATOM 323 OE1 GLU A 13 -32.651 7.044 10.860 1.00 20.00 O ATOM 324 OE2 GLU A 13 -30.750 5.964 10.972 1.00 20.00 O ATOM 0 H GLU A 13 -34.886 2.508 12.379 1.00 20.00 H new ATOM 0 HA GLU A 13 -34.672 3.010 9.614 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -34.269 4.665 11.411 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -32.849 3.773 11.921 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -31.846 4.149 9.655 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -33.242 5.116 9.225 1.00 20.00 H new ATOM 331 N THR A 14 -32.977 1.428 8.763 1.00 20.00 N ATOM 332 CA THR A 14 -31.994 0.519 8.216 1.00 20.00 C ATOM 333 C THR A 14 -31.796 0.792 6.731 1.00 20.00 C ATOM 334 O THR A 14 -32.725 0.656 5.931 1.00 20.00 O ATOM 335 CB THR A 14 -32.415 -0.950 8.433 1.00 20.00 C ATOM 336 OG1 THR A 14 -32.579 -1.206 9.836 1.00 20.00 O ATOM 337 CG2 THR A 14 -31.382 -1.901 7.855 1.00 20.00 C ATOM 0 H THR A 14 -33.680 1.740 8.093 1.00 20.00 H new ATOM 0 HA THR A 14 -31.052 0.684 8.739 1.00 20.00 H new ATOM 0 HB THR A 14 -33.361 -1.116 7.918 1.00 20.00 H new ATOM 0 HG1 THR A 14 -32.848 -2.139 9.969 1.00 20.00 H new ATOM 0 HG21 THR A 14 -31.702 -2.930 8.021 1.00 20.00 H new ATOM 0 HG22 THR A 14 -31.280 -1.721 6.785 1.00 20.00 H new ATOM 0 HG23 THR A 14 -30.422 -1.736 8.344 1.00 20.00 H new ATOM 345 N ILE A 15 -30.590 1.199 6.376 1.00 20.00 N ATOM 346 CA ILE A 15 -30.263 1.528 4.999 1.00 20.00 C ATOM 347 C ILE A 15 -30.219 0.258 4.142 1.00 20.00 C ATOM 348 O ILE A 15 -29.880 -0.826 4.624 1.00 20.00 O ATOM 349 CB ILE A 15 -28.908 2.274 4.920 1.00 20.00 C ATOM 350 CG1 ILE A 15 -28.703 2.901 3.541 1.00 20.00 C ATOM 351 CG2 ILE A 15 -27.755 1.341 5.253 1.00 20.00 C ATOM 352 CD1 ILE A 15 -29.613 4.079 3.262 1.00 20.00 C ATOM 0 H ILE A 15 -29.814 1.310 7.029 1.00 20.00 H new ATOM 0 HA ILE A 15 -31.041 2.186 4.612 1.00 20.00 H new ATOM 0 HB ILE A 15 -28.929 3.075 5.659 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -27.666 3.226 3.451 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -28.866 2.140 2.778 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -26.814 1.888 5.191 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -27.882 0.952 6.263 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -27.741 0.513 4.544 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -29.408 4.469 2.265 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -30.653 3.757 3.319 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -29.434 4.860 4.001 1.00 20.00 H new ATOM 364 N GLU A 16 -30.583 0.410 2.871 1.00 20.00 N ATOM 365 CA GLU A 16 -30.683 -0.712 1.937 1.00 20.00 C ATOM 366 C GLU A 16 -29.353 -1.444 1.768 1.00 20.00 C ATOM 367 O GLU A 16 -29.333 -2.651 1.541 1.00 20.00 O ATOM 368 CB GLU A 16 -31.175 -0.219 0.573 1.00 20.00 C ATOM 369 CG GLU A 16 -30.233 0.765 -0.104 1.00 20.00 C ATOM 370 CD GLU A 16 -30.797 1.319 -1.392 1.00 20.00 C ATOM 371 OE1 GLU A 16 -30.602 0.690 -2.454 1.00 20.00 O ATOM 372 OE2 GLU A 16 -31.436 2.392 -1.350 1.00 20.00 O ATOM 0 H GLU A 16 -30.817 1.313 2.458 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.399 -1.418 2.358 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.319 -1.078 -0.082 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.149 0.254 0.698 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -30.021 1.588 0.579 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -29.284 0.270 -0.311 1.00 20.00 H new ATOM 379 N GLN A 17 -28.245 -0.715 1.884 1.00 20.00 N ATOM 380 CA GLN A 17 -26.927 -1.315 1.693 1.00 20.00 C ATOM 381 C GLN A 17 -26.558 -2.204 2.879 1.00 20.00 C ATOM 382 O GLN A 17 -25.641 -3.018 2.793 1.00 20.00 O ATOM 383 CB GLN A 17 -25.851 -0.245 1.466 1.00 20.00 C ATOM 384 CG GLN A 17 -25.520 0.586 2.695 1.00 20.00 C ATOM 385 CD GLN A 17 -24.408 1.585 2.436 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.541 1.360 1.591 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.409 2.687 3.169 1.00 20.00 N ATOM 0 H GLN A 17 -28.233 0.280 2.107 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.975 -1.935 0.798 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -24.941 -0.732 1.116 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.182 0.422 0.670 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.414 1.118 3.022 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.227 -0.076 3.510 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -25.144 2.839 3.860 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -23.675 3.384 3.043 1.00 20.00 H new ATOM 396 N GLU A 18 -27.276 -2.045 3.983 1.00 20.00 N ATOM 397 CA GLU A 18 -27.097 -2.921 5.132 1.00 20.00 C ATOM 398 C GLU A 18 -27.856 -4.215 4.885 1.00 20.00 C ATOM 399 O GLU A 18 -27.368 -5.306 5.178 1.00 20.00 O ATOM 400 CB GLU A 18 -27.597 -2.248 6.419 1.00 20.00 C ATOM 401 CG GLU A 18 -27.373 -3.075 7.679 1.00 20.00 C ATOM 402 CD GLU A 18 -27.943 -2.417 8.920 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.502 -1.301 9.263 1.00 20.00 O ATOM 404 OE2 GLU A 18 -28.827 -3.013 9.567 1.00 20.00 O ATOM 0 H GLU A 18 -27.984 -1.321 4.107 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.035 -3.132 5.259 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.094 -1.288 6.533 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.662 -2.040 6.318 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -27.830 -4.056 7.551 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.304 -3.237 7.817 1.00 20.00 H new ATOM 411 N ASN A 19 -29.042 -4.078 4.305 1.00 20.00 N ATOM 412 CA ASN A 19 -29.889 -5.223 3.988 1.00 20.00 C ATOM 413 C ASN A 19 -29.219 -6.117 2.954 1.00 20.00 C ATOM 414 O ASN A 19 -29.186 -7.338 3.103 1.00 20.00 O ATOM 415 CB ASN A 19 -31.255 -4.768 3.458 1.00 20.00 C ATOM 416 CG ASN A 19 -32.094 -4.034 4.489 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.857 -3.128 4.148 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.978 -4.421 5.747 1.00 20.00 N ATOM 0 H ASN A 19 -29.442 -3.177 4.042 1.00 20.00 H new ATOM 0 HA ASN A 19 -30.038 -5.787 4.909 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.103 -4.118 2.596 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.807 -5.639 3.106 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.531 -3.966 6.474 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.336 -5.175 5.992 1.00 20.00 H new ATOM 425 N SER A 20 -28.670 -5.505 1.913 1.00 20.00 N ATOM 426 CA SER A 20 -28.026 -6.251 0.845 1.00 20.00 C ATOM 427 C SER A 20 -26.751 -6.928 1.338 1.00 20.00 C ATOM 428 O SER A 20 -26.473 -8.076 0.988 1.00 20.00 O ATOM 429 CB SER A 20 -27.722 -5.323 -0.329 1.00 20.00 C ATOM 430 OG SER A 20 -27.074 -4.143 0.112 1.00 20.00 O ATOM 0 H SER A 20 -28.659 -4.493 1.787 1.00 20.00 H new ATOM 0 HA SER A 20 -28.709 -7.032 0.511 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.091 -5.840 -1.052 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.648 -5.064 -0.842 1.00 20.00 H new ATOM 0 HG SER A 20 -26.888 -3.565 -0.657 1.00 20.00 H new ATOM 436 N TYR A 21 -25.986 -6.223 2.160 1.00 20.00 N ATOM 437 CA TYR A 21 -24.762 -6.779 2.717 1.00 20.00 C ATOM 438 C TYR A 21 -25.096 -7.903 3.690 1.00 20.00 C ATOM 439 O TYR A 21 -24.380 -8.898 3.773 1.00 20.00 O ATOM 440 CB TYR A 21 -23.937 -5.695 3.416 1.00 20.00 C ATOM 441 CG TYR A 21 -22.554 -6.157 3.834 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.510 -6.200 2.917 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.294 -6.549 5.141 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.247 -6.621 3.292 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.034 -6.970 5.522 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.015 -7.004 4.595 1.00 20.00 C ATOM 447 OH TYR A 21 -18.758 -7.424 4.973 1.00 20.00 O ATOM 0 H TYR A 21 -26.191 -5.268 2.455 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.164 -7.183 1.900 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.838 -4.839 2.749 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.478 -5.351 4.298 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.688 -5.900 1.895 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.089 -6.524 5.871 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.447 -6.649 2.567 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -20.849 -7.271 6.542 1.00 20.00 H new ATOM 0 HH TYR A 21 -18.763 -7.657 5.925 1.00 20.00 H new ATOM 457 N ASN A 22 -26.191 -7.743 4.420 1.00 20.00 N ATOM 458 CA ASN A 22 -26.653 -8.781 5.333 1.00 20.00 C ATOM 459 C ASN A 22 -27.174 -9.981 4.545 1.00 20.00 C ATOM 460 O ASN A 22 -27.046 -11.127 4.976 1.00 20.00 O ATOM 461 CB ASN A 22 -27.735 -8.236 6.274 1.00 20.00 C ATOM 462 CG ASN A 22 -28.188 -9.261 7.297 1.00 20.00 C ATOM 463 OD1 ASN A 22 -27.534 -9.462 8.319 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.325 -9.894 7.048 1.00 20.00 N ATOM 0 H ASN A 22 -26.775 -6.907 4.399 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.811 -9.106 5.944 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.352 -7.356 6.791 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.593 -7.911 5.686 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.686 -10.575 7.716 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.839 -9.700 6.189 1.00 20.00 H new ATOM 471 N GLU A 23 -27.751 -9.704 3.381 1.00 20.00 N ATOM 472 CA GLU A 23 -28.169 -10.750 2.457 1.00 20.00 C ATOM 473 C GLU A 23 -26.944 -11.507 1.947 1.00 20.00 C ATOM 474 O GLU A 23 -26.955 -12.734 1.838 1.00 20.00 O ATOM 475 CB GLU A 23 -28.944 -10.137 1.288 1.00 20.00 C ATOM 476 CG GLU A 23 -29.469 -11.153 0.291 1.00 20.00 C ATOM 477 CD GLU A 23 -30.125 -10.498 -0.903 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.277 -10.039 -0.779 1.00 20.00 O ATOM 479 OE2 GLU A 23 -29.486 -10.425 -1.971 1.00 20.00 O ATOM 0 H GLU A 23 -27.941 -8.757 3.054 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.823 -11.450 2.977 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.783 -9.565 1.683 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.296 -9.433 0.766 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.647 -11.783 -0.049 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.188 -11.806 0.785 1.00 20.00 H new ATOM 486 N TRP A 24 -25.887 -10.758 1.654 1.00 20.00 N ATOM 487 CA TRP A 24 -24.612 -11.337 1.251 1.00 20.00 C ATOM 488 C TRP A 24 -24.024 -12.161 2.397 1.00 20.00 C ATOM 489 O TRP A 24 -23.507 -13.263 2.192 1.00 20.00 O ATOM 490 CB TRP A 24 -23.639 -10.222 0.831 1.00 20.00 C ATOM 491 CG TRP A 24 -22.272 -10.710 0.458 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.867 -11.150 -0.767 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.128 -10.796 1.316 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.543 -11.512 -0.723 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.067 -11.306 0.544 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.900 -10.497 2.661 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -18.799 -11.522 1.075 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -19.641 -10.711 3.186 1.00 20.00 C ATOM 499 CH2 TRP A 24 -18.604 -11.220 2.394 1.00 20.00 C ATOM 0 H TRP A 24 -25.890 -9.739 1.689 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.773 -11.997 0.399 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.064 -9.684 -0.016 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.547 -9.508 1.649 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -22.495 -11.206 -1.644 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -20.002 -11.876 -1.507 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.694 -10.105 3.279 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.997 -11.914 0.467 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.453 -10.482 4.225 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -17.630 -11.377 2.834 1.00 20.00 H new ATOM 510 N LEU A 25 -24.127 -11.622 3.608 1.00 20.00 N ATOM 511 CA LEU A 25 -23.649 -12.304 4.803 1.00 20.00 C ATOM 512 C LEU A 25 -24.389 -13.622 4.994 1.00 20.00 C ATOM 513 O LEU A 25 -23.806 -14.617 5.414 1.00 20.00 O ATOM 514 CB LEU A 25 -23.838 -11.415 6.037 1.00 20.00 C ATOM 515 CG LEU A 25 -23.363 -12.018 7.363 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.857 -12.243 7.346 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.756 -11.119 8.524 1.00 20.00 C ATOM 0 H LEU A 25 -24.541 -10.707 3.787 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.586 -12.512 4.678 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.306 -10.478 5.873 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.896 -11.170 6.128 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.849 -12.985 7.493 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.542 -12.672 8.298 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.600 -12.927 6.537 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.349 -11.291 7.191 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.412 -11.561 9.459 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.298 -10.138 8.396 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.840 -11.012 8.551 1.00 20.00 H new ATOM 529 N ARG A 26 -25.675 -13.615 4.661 1.00 20.00 N ATOM 530 CA ARG A 26 -26.510 -14.806 4.773 1.00 20.00 C ATOM 531 C ARG A 26 -25.963 -15.930 3.895 1.00 20.00 C ATOM 532 O ARG A 26 -25.953 -17.092 4.296 1.00 20.00 O ATOM 533 CB ARG A 26 -27.955 -14.474 4.380 1.00 20.00 C ATOM 534 CG ARG A 26 -28.924 -15.637 4.539 1.00 20.00 C ATOM 535 CD ARG A 26 -30.348 -15.225 4.187 1.00 20.00 C ATOM 536 NE ARG A 26 -30.468 -14.786 2.794 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.472 -14.038 2.329 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.424 -13.607 3.147 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.514 -13.711 1.042 1.00 20.00 N ATOM 0 H ARG A 26 -26.165 -12.792 4.309 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.497 -15.145 5.809 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.303 -13.639 4.988 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.971 -14.141 3.342 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.613 -16.462 3.898 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.892 -16.002 5.566 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -31.021 -16.065 4.361 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.666 -14.419 4.849 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.739 -15.069 2.139 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.392 -13.847 4.138 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.188 -13.036 2.785 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.780 -14.031 0.410 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.280 -13.140 0.686 1.00 20.00 H new ATOM 553 N ALA A 27 -25.481 -15.572 2.710 1.00 20.00 N ATOM 554 CA ALA A 27 -24.911 -16.547 1.789 1.00 20.00 C ATOM 555 C ALA A 27 -23.584 -17.076 2.318 1.00 20.00 C ATOM 556 O ALA A 27 -23.207 -18.221 2.065 1.00 20.00 O ATOM 557 CB ALA A 27 -24.722 -15.929 0.415 1.00 20.00 C ATOM 0 H ALA A 27 -25.474 -14.612 2.365 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.605 -17.383 1.704 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.295 -16.670 -0.262 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.686 -15.598 0.029 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.048 -15.075 0.490 1.00 20.00 H new ATOM 563 N LYS A 28 -22.884 -16.229 3.058 1.00 20.00 N ATOM 564 CA LYS A 28 -21.617 -16.604 3.669 1.00 20.00 C ATOM 565 C LYS A 28 -21.858 -17.550 4.842 1.00 20.00 C ATOM 566 O LYS A 28 -21.165 -18.557 4.999 1.00 20.00 O ATOM 567 CB LYS A 28 -20.864 -15.351 4.132 1.00 20.00 C ATOM 568 CG LYS A 28 -19.539 -15.636 4.821 1.00 20.00 C ATOM 569 CD LYS A 28 -18.835 -14.345 5.209 1.00 20.00 C ATOM 570 CE LYS A 28 -17.531 -14.607 5.956 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.592 -15.445 5.165 1.00 20.00 N ATOM 0 H LYS A 28 -23.175 -15.271 3.251 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.006 -17.121 2.929 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.681 -14.712 3.268 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.502 -14.790 4.815 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.711 -16.242 5.711 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.899 -16.218 4.158 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.628 -13.761 4.312 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.497 -13.745 5.834 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.054 -13.657 6.196 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.749 -15.102 6.902 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -15.662 -15.458 5.631 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.961 -16.415 5.102 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -16.495 -15.049 4.208 1.00 20.00 H new ATOM 585 N VAL A 29 -22.855 -17.220 5.655 1.00 20.00 N ATOM 586 CA VAL A 29 -23.231 -18.046 6.795 1.00 20.00 C ATOM 587 C VAL A 29 -23.776 -19.396 6.329 1.00 20.00 C ATOM 588 O VAL A 29 -23.535 -20.431 6.957 1.00 20.00 O ATOM 589 CB VAL A 29 -24.280 -17.332 7.678 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.754 -18.235 8.804 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.712 -16.041 8.245 1.00 20.00 C ATOM 0 H VAL A 29 -23.421 -16.379 5.544 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.334 -18.214 7.391 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.137 -17.092 7.049 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.491 -17.706 9.409 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.206 -19.133 8.384 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -23.905 -18.514 9.429 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.465 -15.553 8.864 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.834 -16.265 8.851 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.429 -15.378 7.427 1.00 20.00 H new ATOM 601 N ALA A 30 -24.502 -19.381 5.222 1.00 20.00 N ATOM 602 CA ALA A 30 -25.035 -20.603 4.640 1.00 20.00 C ATOM 603 C ALA A 30 -23.955 -21.347 3.856 1.00 20.00 C ATOM 604 O ALA A 30 -23.880 -21.253 2.630 1.00 20.00 O ATOM 605 CB ALA A 30 -26.225 -20.291 3.746 1.00 20.00 C ATOM 0 H ALA A 30 -24.736 -18.532 4.707 1.00 20.00 H new ATOM 0 HA ALA A 30 -25.371 -21.249 5.451 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -26.612 -21.216 3.319 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -27.006 -19.809 4.334 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -25.912 -19.624 2.943 1.00 20.00 H new ATOM 611 N THR A 31 -23.120 -22.086 4.570 1.00 20.00 N ATOM 612 CA THR A 31 -22.007 -22.794 3.956 1.00 20.00 C ATOM 613 C THR A 31 -22.400 -24.219 3.566 1.00 20.00 C ATOM 614 O THR A 31 -21.948 -24.738 2.547 1.00 20.00 O ATOM 615 CB THR A 31 -20.799 -22.829 4.913 1.00 20.00 C ATOM 616 OG1 THR A 31 -20.517 -21.501 5.379 1.00 20.00 O ATOM 617 CG2 THR A 31 -19.569 -23.404 4.230 1.00 20.00 C ATOM 0 H THR A 31 -23.193 -22.211 5.580 1.00 20.00 H new ATOM 0 HA THR A 31 -21.733 -22.255 3.049 1.00 20.00 H new ATOM 0 HB THR A 31 -21.050 -23.473 5.756 1.00 20.00 H new ATOM 0 HG1 THR A 31 -19.750 -21.524 5.989 1.00 20.00 H new ATOM 0 HG21 THR A 31 -18.735 -23.415 4.932 1.00 20.00 H new ATOM 0 HG22 THR A 31 -19.778 -24.421 3.900 1.00 20.00 H new ATOM 0 HG23 THR A 31 -19.310 -22.789 3.368 1.00 20.00 H new ATOM 625 N SER A 32 -23.251 -24.841 4.367 1.00 20.00 N ATOM 626 CA SER A 32 -23.657 -26.216 4.120 1.00 20.00 C ATOM 627 C SER A 32 -25.181 -26.321 4.094 1.00 20.00 C ATOM 628 O SER A 32 -25.776 -27.183 4.742 1.00 20.00 O ATOM 629 CB SER A 32 -23.060 -27.139 5.191 1.00 20.00 C ATOM 630 OG SER A 32 -23.252 -28.510 4.871 1.00 20.00 O ATOM 0 H SER A 32 -23.673 -24.416 5.193 1.00 20.00 H new ATOM 0 HA SER A 32 -23.280 -26.531 3.147 1.00 20.00 H new ATOM 0 HB2 SER A 32 -21.994 -26.935 5.294 1.00 20.00 H new ATOM 0 HB3 SER A 32 -23.520 -26.923 6.155 1.00 20.00 H new ATOM 0 HG SER A 32 -24.208 -28.686 4.747 1.00 20.00 H new ATOM 636 N LEU A 33 -25.804 -25.425 3.342 1.00 20.00 N ATOM 637 CA LEU A 33 -27.254 -25.411 3.204 1.00 20.00 C ATOM 638 C LEU A 33 -27.646 -25.824 1.791 1.00 20.00 C ATOM 639 O LEU A 33 -27.648 -25.003 0.871 1.00 20.00 O ATOM 640 CB LEU A 33 -27.829 -24.019 3.515 1.00 20.00 C ATOM 641 CG LEU A 33 -27.943 -23.626 5.000 1.00 20.00 C ATOM 642 CD1 LEU A 33 -28.874 -24.571 5.744 1.00 20.00 C ATOM 643 CD2 LEU A 33 -26.580 -23.593 5.673 1.00 20.00 C ATOM 0 H LEU A 33 -25.325 -24.694 2.815 1.00 20.00 H new ATOM 0 HA LEU A 33 -27.668 -26.121 3.920 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -27.208 -23.276 3.015 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -28.822 -23.956 3.070 1.00 20.00 H new ATOM 0 HG LEU A 33 -28.364 -22.621 5.038 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -28.937 -24.271 6.790 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -29.867 -24.532 5.295 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -28.487 -25.588 5.681 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -26.698 -23.312 6.720 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -26.120 -24.579 5.611 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -25.944 -22.864 5.171 1.00 20.00 H new ATOM 655 N ALA A 34 -27.970 -27.096 1.626 1.00 20.00 N ATOM 656 CA ALA A 34 -28.352 -27.631 0.327 1.00 20.00 C ATOM 657 C ALA A 34 -29.782 -27.232 -0.023 1.00 20.00 C ATOM 658 O ALA A 34 -30.492 -26.651 0.797 1.00 20.00 O ATOM 659 CB ALA A 34 -28.203 -29.146 0.317 1.00 20.00 C ATOM 0 H ALA A 34 -27.976 -27.782 2.380 1.00 20.00 H new ATOM 0 HA ALA A 34 -27.688 -27.210 -0.428 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -28.492 -29.534 -0.660 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -27.165 -29.411 0.520 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -28.845 -29.580 1.084 1.00 20.00 H new ATOM 665 N ASP A 35 -30.197 -27.536 -1.241 1.00 20.00 N ATOM 666 CA ASP A 35 -31.550 -27.228 -1.687 1.00 20.00 C ATOM 667 C ASP A 35 -32.292 -28.503 -2.054 1.00 20.00 C ATOM 668 O ASP A 35 -32.355 -28.873 -3.226 1.00 20.00 O ATOM 669 CB ASP A 35 -31.528 -26.273 -2.885 1.00 20.00 C ATOM 670 CG ASP A 35 -31.127 -24.865 -2.504 1.00 20.00 C ATOM 671 OD1 ASP A 35 -31.974 -24.131 -1.956 1.00 20.00 O ATOM 672 OD2 ASP A 35 -29.965 -24.482 -2.754 1.00 20.00 O ATOM 0 H ASP A 35 -29.617 -27.997 -1.942 1.00 20.00 H new ATOM 0 HA ASP A 35 -32.071 -26.739 -0.864 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -30.834 -26.653 -3.635 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -32.516 -26.253 -3.346 1.00 20.00 H new ATOM 677 N PRO A 36 -32.862 -29.195 -1.056 1.00 20.00 N ATOM 678 CA PRO A 36 -33.579 -30.448 -1.281 1.00 20.00 C ATOM 679 C PRO A 36 -34.923 -30.223 -1.969 1.00 20.00 C ATOM 680 O PRO A 36 -35.922 -29.896 -1.325 1.00 20.00 O ATOM 681 CB PRO A 36 -33.779 -31.004 0.130 1.00 20.00 C ATOM 682 CG PRO A 36 -33.776 -29.808 1.016 1.00 20.00 C ATOM 683 CD PRO A 36 -32.854 -28.809 0.371 1.00 20.00 C ATOM 0 HA PRO A 36 -33.032 -31.123 -1.939 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -34.718 -31.552 0.209 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -32.982 -31.697 0.399 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -34.781 -29.399 1.121 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -33.431 -30.066 2.017 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -33.209 -27.788 0.512 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -31.851 -28.859 0.794 1.00 20.00 H new ATOM 691 N ARG A 37 -34.937 -30.383 -3.280 1.00 20.00 N ATOM 692 CA ARG A 37 -36.154 -30.207 -4.058 1.00 20.00 C ATOM 693 C ARG A 37 -36.250 -31.259 -5.164 1.00 20.00 C ATOM 694 O ARG A 37 -35.859 -31.024 -6.307 1.00 20.00 O ATOM 695 CB ARG A 37 -36.217 -28.787 -4.636 1.00 20.00 C ATOM 696 CG ARG A 37 -34.970 -28.372 -5.399 1.00 20.00 C ATOM 697 CD ARG A 37 -35.044 -26.919 -5.827 1.00 20.00 C ATOM 698 NE ARG A 37 -33.872 -26.518 -6.597 1.00 20.00 N ATOM 699 CZ ARG A 37 -33.299 -25.318 -6.511 1.00 20.00 C ATOM 700 NH1 ARG A 37 -33.764 -24.407 -5.663 1.00 20.00 N ATOM 701 NH2 ARG A 37 -32.254 -25.031 -7.272 1.00 20.00 N ATOM 0 H ARG A 37 -34.117 -30.635 -3.832 1.00 20.00 H new ATOM 0 HA ARG A 37 -37.010 -30.343 -3.397 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -37.078 -28.715 -5.301 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -36.383 -28.082 -3.822 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -34.091 -28.525 -4.773 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -34.850 -29.006 -6.277 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -35.942 -26.762 -6.425 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -35.133 -26.285 -4.945 1.00 20.00 H new ATOM 0 HE ARG A 37 -33.466 -27.197 -7.241 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -34.566 -24.624 -5.071 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -33.319 -23.491 -5.604 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -31.890 -25.728 -7.922 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -31.813 -24.113 -7.208 1.00 20.00 H new ATOM 715 N PRO A 38 -36.757 -32.451 -4.824 1.00 20.00 N ATOM 716 CA PRO A 38 -36.900 -33.545 -5.781 1.00 20.00 C ATOM 717 C PRO A 38 -38.113 -33.372 -6.690 1.00 20.00 C ATOM 718 O PRO A 38 -39.037 -32.616 -6.370 1.00 20.00 O ATOM 719 CB PRO A 38 -37.071 -34.767 -4.877 1.00 20.00 C ATOM 720 CG PRO A 38 -37.731 -34.240 -3.652 1.00 20.00 C ATOM 721 CD PRO A 38 -37.232 -32.828 -3.477 1.00 20.00 C ATOM 0 HA PRO A 38 -36.052 -33.612 -6.463 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -37.680 -35.533 -5.357 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -36.110 -35.225 -4.643 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -38.816 -34.259 -3.756 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -37.483 -34.850 -2.784 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -38.024 -32.164 -3.132 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -36.430 -32.776 -2.741 1.00 20.00 H new ATOM 729 N ALA A 39 -38.080 -34.066 -7.827 1.00 20.00 N ATOM 730 CA ALA A 39 -39.182 -34.091 -8.788 1.00 20.00 C ATOM 731 C ALA A 39 -39.367 -32.747 -9.492 1.00 20.00 C ATOM 732 O ALA A 39 -38.885 -32.553 -10.612 1.00 20.00 O ATOM 733 CB ALA A 39 -40.479 -34.541 -8.120 1.00 20.00 C ATOM 0 H ALA A 39 -37.280 -34.632 -8.110 1.00 20.00 H new ATOM 0 HA ALA A 39 -38.919 -34.819 -9.555 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -41.283 -34.551 -8.856 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -40.349 -35.543 -7.711 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -40.732 -33.851 -7.315 1.00 20.00 H new ATOM 739 N ILE A 40 -40.040 -31.817 -8.832 1.00 20.00 N ATOM 740 CA ILE A 40 -40.408 -30.553 -9.456 1.00 20.00 C ATOM 741 C ILE A 40 -40.101 -29.365 -8.551 1.00 20.00 C ATOM 742 O ILE A 40 -40.401 -29.384 -7.356 1.00 20.00 O ATOM 743 CB ILE A 40 -41.906 -30.520 -9.830 1.00 20.00 C ATOM 744 CG1 ILE A 40 -42.762 -31.071 -8.685 1.00 20.00 C ATOM 745 CG2 ILE A 40 -42.147 -31.293 -11.116 1.00 20.00 C ATOM 746 CD1 ILE A 40 -44.249 -30.930 -8.916 1.00 20.00 C ATOM 0 H ILE A 40 -40.343 -31.913 -7.863 1.00 20.00 H new ATOM 0 HA ILE A 40 -39.808 -30.475 -10.363 1.00 20.00 H new ATOM 0 HB ILE A 40 -42.200 -29.484 -9.997 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -42.524 -32.125 -8.540 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -42.496 -30.554 -7.763 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -43.207 -31.261 -11.367 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -41.569 -30.844 -11.924 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -41.837 -32.329 -10.981 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -44.790 -31.342 -8.064 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -44.501 -29.876 -9.031 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -44.530 -31.471 -9.820 1.00 20.00 H new ATOM 758 N PRO A 41 -39.476 -28.320 -9.113 1.00 20.00 N ATOM 759 CA PRO A 41 -39.229 -27.070 -8.396 1.00 20.00 C ATOM 760 C PRO A 41 -40.511 -26.252 -8.243 1.00 20.00 C ATOM 761 O PRO A 41 -41.363 -26.238 -9.137 1.00 20.00 O ATOM 762 CB PRO A 41 -38.226 -26.337 -9.289 1.00 20.00 C ATOM 763 CG PRO A 41 -38.476 -26.866 -10.659 1.00 20.00 C ATOM 764 CD PRO A 41 -38.950 -28.285 -10.492 1.00 20.00 C ATOM 0 HA PRO A 41 -38.863 -27.236 -7.383 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -38.376 -25.258 -9.249 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -37.201 -26.529 -8.972 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -39.225 -26.266 -11.176 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -37.568 -26.829 -11.260 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -39.720 -28.538 -11.221 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -38.136 -28.997 -10.628 1.00 20.00 H new ATOM 772 N HIS A 42 -40.641 -25.562 -7.114 1.00 20.00 N ATOM 773 CA HIS A 42 -41.875 -24.841 -6.797 1.00 20.00 C ATOM 774 C HIS A 42 -42.027 -23.578 -7.642 1.00 20.00 C ATOM 775 O HIS A 42 -43.084 -22.954 -7.638 1.00 20.00 O ATOM 776 CB HIS A 42 -41.930 -24.467 -5.305 1.00 20.00 C ATOM 777 CG HIS A 42 -41.053 -23.307 -4.921 1.00 20.00 C ATOM 778 ND1 HIS A 42 -41.556 -22.075 -4.554 1.00 20.00 N ATOM 779 CD2 HIS A 42 -39.706 -23.196 -4.843 1.00 20.00 C ATOM 780 CE1 HIS A 42 -40.557 -21.261 -4.275 1.00 20.00 C ATOM 781 NE2 HIS A 42 -39.425 -21.917 -4.440 1.00 20.00 N ATOM 0 H HIS A 42 -39.912 -25.485 -6.405 1.00 20.00 H new ATOM 0 HA HIS A 42 -42.700 -25.514 -7.030 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -42.961 -24.230 -5.040 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -41.641 -25.336 -4.714 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -38.986 -23.972 -5.059 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -40.650 -20.231 -3.964 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -38.491 -21.534 -4.292 1.00 20.00 H new ATOM 790 N ASP A 43 -40.964 -23.205 -8.346 1.00 20.00 N ATOM 791 CA ASP A 43 -40.951 -21.973 -9.131 1.00 20.00 C ATOM 792 C ASP A 43 -42.067 -21.963 -10.168 1.00 20.00 C ATOM 793 O ASP A 43 -42.887 -21.045 -10.208 1.00 20.00 O ATOM 794 CB ASP A 43 -39.602 -21.793 -9.831 1.00 20.00 C ATOM 795 CG ASP A 43 -38.447 -21.740 -8.859 1.00 20.00 C ATOM 796 OD1 ASP A 43 -37.914 -22.814 -8.509 1.00 20.00 O ATOM 797 OD2 ASP A 43 -38.075 -20.627 -8.436 1.00 20.00 O ATOM 0 H ASP A 43 -40.096 -23.739 -8.390 1.00 20.00 H new ATOM 0 HA ASP A 43 -41.112 -21.146 -8.440 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -39.447 -22.615 -10.530 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -39.621 -20.875 -10.418 1.00 20.00 H new ATOM 802 N GLU A 44 -42.102 -22.999 -10.992 1.00 20.00 N ATOM 803 CA GLU A 44 -43.093 -23.098 -12.053 1.00 20.00 C ATOM 804 C GLU A 44 -44.488 -23.314 -11.479 1.00 20.00 C ATOM 805 O GLU A 44 -45.479 -22.830 -12.030 1.00 20.00 O ATOM 806 CB GLU A 44 -42.736 -24.227 -13.022 1.00 20.00 C ATOM 807 CG GLU A 44 -41.588 -23.897 -13.970 1.00 20.00 C ATOM 808 CD GLU A 44 -40.297 -23.542 -13.259 1.00 20.00 C ATOM 809 OE1 GLU A 44 -39.639 -24.458 -12.723 1.00 20.00 O ATOM 810 OE2 GLU A 44 -39.931 -22.345 -13.243 1.00 20.00 O ATOM 0 H GLU A 44 -41.454 -23.785 -10.946 1.00 20.00 H new ATOM 0 HA GLU A 44 -43.092 -22.156 -12.601 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -42.474 -25.115 -12.447 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -43.618 -24.478 -13.611 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -41.410 -24.751 -14.623 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -41.883 -23.064 -14.608 1.00 20.00 H new ATOM 817 N VAL A 45 -44.559 -24.036 -10.365 1.00 20.00 N ATOM 818 CA VAL A 45 -45.824 -24.252 -9.677 1.00 20.00 C ATOM 819 C VAL A 45 -46.399 -22.918 -9.229 1.00 20.00 C ATOM 820 O VAL A 45 -47.554 -22.601 -9.509 1.00 20.00 O ATOM 821 CB VAL A 45 -45.661 -25.171 -8.449 1.00 20.00 C ATOM 822 CG1 VAL A 45 -46.997 -25.382 -7.750 1.00 20.00 C ATOM 823 CG2 VAL A 45 -45.051 -26.503 -8.851 1.00 20.00 C ATOM 0 H VAL A 45 -43.755 -24.480 -9.921 1.00 20.00 H new ATOM 0 HA VAL A 45 -46.500 -24.740 -10.379 1.00 20.00 H new ATOM 0 HB VAL A 45 -44.984 -24.682 -7.748 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -46.857 -26.033 -6.887 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -47.390 -24.421 -7.419 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -47.701 -25.843 -8.443 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -44.945 -27.135 -7.970 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -45.699 -26.996 -9.576 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -44.071 -26.335 -9.297 1.00 20.00 H new ATOM 833 N GLU A 46 -45.561 -22.134 -8.563 1.00 20.00 N ATOM 834 CA GLU A 46 -45.940 -20.816 -8.066 1.00 20.00 C ATOM 835 C GLU A 46 -46.381 -19.912 -9.210 1.00 20.00 C ATOM 836 O GLU A 46 -47.367 -19.185 -9.092 1.00 20.00 O ATOM 837 CB GLU A 46 -44.764 -20.182 -7.317 1.00 20.00 C ATOM 838 CG GLU A 46 -45.075 -18.829 -6.698 1.00 20.00 C ATOM 839 CD GLU A 46 -43.887 -18.249 -5.959 1.00 20.00 C ATOM 840 OE1 GLU A 46 -43.022 -17.625 -6.608 1.00 20.00 O ATOM 841 OE2 GLU A 46 -43.809 -18.417 -4.725 1.00 20.00 O ATOM 0 H GLU A 46 -44.598 -22.394 -8.351 1.00 20.00 H new ATOM 0 HA GLU A 46 -46.779 -20.934 -7.381 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -44.440 -20.863 -6.530 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -43.927 -20.070 -8.006 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -45.387 -18.137 -7.480 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -45.914 -18.931 -6.010 1.00 20.00 H new ATOM 848 N ARG A 47 -45.653 -19.978 -10.321 1.00 20.00 N ATOM 849 CA ARG A 47 -45.961 -19.166 -11.491 1.00 20.00 C ATOM 850 C ARG A 47 -47.369 -19.462 -12.006 1.00 20.00 C ATOM 851 O ARG A 47 -48.196 -18.557 -12.130 1.00 20.00 O ATOM 852 CB ARG A 47 -44.933 -19.414 -12.602 1.00 20.00 C ATOM 853 CG ARG A 47 -45.209 -18.628 -13.876 1.00 20.00 C ATOM 854 CD ARG A 47 -45.150 -17.128 -13.633 1.00 20.00 C ATOM 855 NE ARG A 47 -45.551 -16.369 -14.813 1.00 20.00 N ATOM 856 CZ ARG A 47 -44.919 -15.285 -15.254 1.00 20.00 C ATOM 857 NH1 ARG A 47 -43.843 -14.836 -14.620 1.00 20.00 N ATOM 858 NH2 ARG A 47 -45.362 -14.651 -16.333 1.00 20.00 N ATOM 0 H ARG A 47 -44.843 -20.588 -10.434 1.00 20.00 H new ATOM 0 HA ARG A 47 -45.915 -18.118 -11.194 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -43.941 -19.153 -12.232 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -44.916 -20.478 -12.838 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -44.480 -18.902 -14.638 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -46.192 -18.896 -14.264 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -45.800 -16.870 -12.797 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -44.137 -16.846 -13.347 1.00 20.00 H new ATOM 0 HE ARG A 47 -46.368 -16.690 -15.333 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -43.499 -15.323 -13.792 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -43.360 -14.004 -14.961 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -46.187 -14.995 -16.824 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -44.877 -13.820 -16.671 1.00 20.00 H new ATOM 872 N ARG A 48 -47.643 -20.733 -12.287 1.00 20.00 N ATOM 873 CA ARG A 48 -48.942 -21.129 -12.816 1.00 20.00 C ATOM 874 C ARG A 48 -50.036 -20.931 -11.773 1.00 20.00 C ATOM 875 O ARG A 48 -51.173 -20.618 -12.112 1.00 20.00 O ATOM 876 CB ARG A 48 -48.927 -22.588 -13.289 1.00 20.00 C ATOM 877 CG ARG A 48 -47.910 -22.874 -14.385 1.00 20.00 C ATOM 878 CD ARG A 48 -48.069 -24.277 -14.949 1.00 20.00 C ATOM 879 NE ARG A 48 -47.022 -24.601 -15.919 1.00 20.00 N ATOM 880 CZ ARG A 48 -47.118 -25.570 -16.833 1.00 20.00 C ATOM 881 NH1 ARG A 48 -48.243 -26.263 -16.963 1.00 20.00 N ATOM 882 NH2 ARG A 48 -46.094 -25.829 -17.632 1.00 20.00 N ATOM 0 H ARG A 48 -46.986 -21.502 -12.158 1.00 20.00 H new ATOM 0 HA ARG A 48 -49.155 -20.491 -13.674 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -48.718 -23.233 -12.436 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -49.920 -22.852 -13.652 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -48.025 -22.145 -15.187 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -46.903 -22.754 -13.987 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -48.044 -25.000 -14.134 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -49.045 -24.367 -15.426 1.00 20.00 H new ATOM 0 HE ARG A 48 -46.163 -24.051 -15.895 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -49.041 -26.057 -16.363 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -48.309 -27.002 -17.663 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -45.233 -25.289 -17.549 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -46.166 -26.569 -18.330 1.00 20.00 H new ATOM 896 N MET A 49 -49.679 -21.096 -10.504 1.00 20.00 N ATOM 897 CA MET A 49 -50.631 -20.928 -9.411 1.00 20.00 C ATOM 898 C MET A 49 -51.049 -19.467 -9.286 1.00 20.00 C ATOM 899 O MET A 49 -52.232 -19.160 -9.124 1.00 20.00 O ATOM 900 CB MET A 49 -50.018 -21.413 -8.095 1.00 20.00 C ATOM 901 CG MET A 49 -50.998 -21.448 -6.936 1.00 20.00 C ATOM 902 SD MET A 49 -52.371 -22.584 -7.219 1.00 20.00 S ATOM 903 CE MET A 49 -51.507 -24.152 -7.290 1.00 20.00 C ATOM 0 H MET A 49 -48.736 -21.346 -10.206 1.00 20.00 H new ATOM 0 HA MET A 49 -51.516 -21.526 -9.630 1.00 20.00 H new ATOM 0 HB2 MET A 49 -49.609 -22.413 -8.243 1.00 20.00 H new ATOM 0 HB3 MET A 49 -49.183 -20.763 -7.833 1.00 20.00 H new ATOM 0 HG2 MET A 49 -50.471 -21.741 -6.028 1.00 20.00 H new ATOM 0 HG3 MET A 49 -51.390 -20.445 -6.767 1.00 20.00 H new ATOM 0 HE1 MET A 49 -52.214 -24.965 -7.122 1.00 20.00 H new ATOM 0 HE2 MET A 49 -51.046 -24.269 -8.271 1.00 20.00 H new ATOM 0 HE3 MET A 49 -50.735 -24.177 -6.521 1.00 20.00 H new ATOM 913 N ALA A 50 -50.073 -18.569 -9.378 1.00 20.00 N ATOM 914 CA ALA A 50 -50.334 -17.140 -9.294 1.00 20.00 C ATOM 915 C ALA A 50 -51.174 -16.678 -10.473 1.00 20.00 C ATOM 916 O ALA A 50 -52.181 -15.990 -10.300 1.00 20.00 O ATOM 917 CB ALA A 50 -49.027 -16.364 -9.241 1.00 20.00 C ATOM 0 H ALA A 50 -49.091 -18.809 -9.511 1.00 20.00 H new ATOM 0 HA ALA A 50 -50.892 -16.947 -8.377 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -49.240 -15.297 -9.178 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -48.456 -16.672 -8.365 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -48.447 -16.566 -10.142 1.00 20.00 H new ATOM 923 N GLU A 51 -50.767 -17.082 -11.671 1.00 20.00 N ATOM 924 CA GLU A 51 -51.490 -16.721 -12.883 1.00 20.00 C ATOM 925 C GLU A 51 -52.885 -17.328 -12.886 1.00 20.00 C ATOM 926 O GLU A 51 -53.797 -16.793 -13.503 1.00 20.00 O ATOM 927 CB GLU A 51 -50.731 -17.167 -14.130 1.00 20.00 C ATOM 928 CG GLU A 51 -49.476 -16.360 -14.412 1.00 20.00 C ATOM 929 CD GLU A 51 -48.943 -16.612 -15.804 1.00 20.00 C ATOM 930 OE1 GLU A 51 -49.655 -16.295 -16.782 1.00 20.00 O ATOM 931 OE2 GLU A 51 -47.818 -17.137 -15.935 1.00 20.00 O ATOM 0 H GLU A 51 -49.941 -17.659 -11.828 1.00 20.00 H new ATOM 0 HA GLU A 51 -51.579 -15.635 -12.898 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -50.458 -18.217 -14.021 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -51.396 -17.098 -14.991 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -49.693 -15.298 -14.293 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -48.710 -16.613 -13.679 1.00 20.00 H new ATOM 938 N ARG A 52 -53.050 -18.435 -12.185 1.00 20.00 N ATOM 939 CA ARG A 52 -54.338 -19.104 -12.104 1.00 20.00 C ATOM 940 C ARG A 52 -55.353 -18.219 -11.383 1.00 20.00 C ATOM 941 O ARG A 52 -56.548 -18.245 -11.681 1.00 20.00 O ATOM 942 CB ARG A 52 -54.180 -20.439 -11.379 1.00 20.00 C ATOM 943 CG ARG A 52 -55.403 -21.334 -11.442 1.00 20.00 C ATOM 944 CD ARG A 52 -55.132 -22.667 -10.767 1.00 20.00 C ATOM 945 NE ARG A 52 -53.943 -23.322 -11.314 1.00 20.00 N ATOM 946 CZ ARG A 52 -53.386 -24.411 -10.794 1.00 20.00 C ATOM 947 NH1 ARG A 52 -53.929 -25.003 -9.735 1.00 20.00 N ATOM 948 NH2 ARG A 52 -52.290 -24.917 -11.343 1.00 20.00 N ATOM 0 H ARG A 52 -52.304 -18.893 -11.661 1.00 20.00 H new ATOM 0 HA ARG A 52 -54.706 -19.291 -13.113 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -53.331 -20.973 -11.807 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -53.940 -20.245 -10.334 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -56.245 -20.841 -10.957 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -55.685 -21.499 -12.482 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -55.001 -22.512 -9.696 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -55.996 -23.320 -10.891 1.00 20.00 H new ATOM 0 HE ARG A 52 -53.515 -22.917 -12.147 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -54.778 -24.622 -9.317 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -53.497 -25.838 -9.340 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -51.877 -24.471 -12.162 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -51.860 -25.753 -10.946 1.00 20.00 H new ATOM 962 N PHE A 53 -54.867 -17.432 -10.432 1.00 20.00 N ATOM 963 CA PHE A 53 -55.717 -16.507 -9.699 1.00 20.00 C ATOM 964 C PHE A 53 -55.760 -15.147 -10.391 1.00 20.00 C ATOM 965 O PHE A 53 -56.737 -14.408 -10.279 1.00 20.00 O ATOM 966 CB PHE A 53 -55.215 -16.348 -8.261 1.00 20.00 C ATOM 967 CG PHE A 53 -56.077 -15.446 -7.421 1.00 20.00 C ATOM 968 CD1 PHE A 53 -57.358 -15.830 -7.054 1.00 20.00 C ATOM 969 CD2 PHE A 53 -55.608 -14.211 -6.999 1.00 20.00 C ATOM 970 CE1 PHE A 53 -58.152 -15.000 -6.285 1.00 20.00 C ATOM 971 CE2 PHE A 53 -56.399 -13.379 -6.230 1.00 20.00 C ATOM 972 CZ PHE A 53 -57.672 -13.775 -5.873 1.00 20.00 C ATOM 0 H PHE A 53 -53.887 -17.417 -10.151 1.00 20.00 H new ATOM 0 HA PHE A 53 -56.727 -16.917 -9.678 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -55.165 -17.330 -7.791 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -54.200 -15.952 -8.281 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -57.740 -16.789 -7.373 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -54.613 -13.896 -7.275 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -59.148 -15.311 -6.007 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -56.021 -12.420 -5.909 1.00 20.00 H new ATOM 0 HZ PHE A 53 -58.291 -13.126 -5.272 1.00 20.00 H new ATOM 982 N ALA A 54 -54.699 -14.821 -11.107 1.00 20.00 N ATOM 983 CA ALA A 54 -54.599 -13.534 -11.774 1.00 20.00 C ATOM 984 C ALA A 54 -55.354 -13.523 -13.099 1.00 20.00 C ATOM 985 O ALA A 54 -56.155 -12.625 -13.364 1.00 20.00 O ATOM 986 CB ALA A 54 -53.138 -13.174 -11.991 1.00 20.00 C ATOM 0 H ALA A 54 -53.892 -15.431 -11.242 1.00 20.00 H new ATOM 0 HA ALA A 54 -55.062 -12.786 -11.130 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -53.072 -12.208 -12.491 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -52.630 -13.119 -11.028 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -52.663 -13.936 -12.609 1.00 20.00 H new ATOM 992 N LYS A 55 -55.120 -14.541 -13.916 1.00 20.00 N ATOM 993 CA LYS A 55 -55.643 -14.571 -15.276 1.00 20.00 C ATOM 994 C LYS A 55 -57.102 -15.003 -15.315 1.00 20.00 C ATOM 995 O LYS A 55 -57.698 -15.094 -16.388 1.00 20.00 O ATOM 996 CB LYS A 55 -54.799 -15.494 -16.156 1.00 20.00 C ATOM 997 CG LYS A 55 -53.324 -15.114 -16.203 1.00 20.00 C ATOM 998 CD LYS A 55 -53.130 -13.681 -16.666 1.00 20.00 C ATOM 999 CE LYS A 55 -51.659 -13.318 -16.785 1.00 20.00 C ATOM 1000 NZ LYS A 55 -50.945 -14.180 -17.763 1.00 20.00 N ATOM 0 H LYS A 55 -54.569 -15.360 -13.660 1.00 20.00 H new ATOM 0 HA LYS A 55 -55.587 -13.554 -15.665 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -54.890 -16.516 -15.788 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -55.201 -15.483 -17.169 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -52.884 -15.240 -15.214 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -52.795 -15.789 -16.876 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -53.617 -13.542 -17.631 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -53.615 -13.004 -15.963 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -51.567 -12.275 -17.088 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -51.184 -13.409 -15.808 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -50.197 -13.629 -18.230 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -50.521 -14.990 -17.267 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -51.618 -14.525 -18.477 1.00 20.00 H new ATOM 1014 N MET A 56 -57.679 -15.281 -14.153 1.00 20.00 N ATOM 1015 CA MET A 56 -59.105 -15.567 -14.081 1.00 20.00 C ATOM 1016 C MET A 56 -59.883 -14.259 -14.103 1.00 20.00 C ATOM 1017 O MET A 56 -61.064 -14.228 -14.446 1.00 20.00 O ATOM 1018 CB MET A 56 -59.460 -16.409 -12.841 1.00 20.00 C ATOM 1019 CG MET A 56 -59.112 -15.774 -11.498 1.00 20.00 C ATOM 1020 SD MET A 56 -60.221 -14.435 -11.005 1.00 20.00 S ATOM 1021 CE MET A 56 -61.779 -15.308 -10.852 1.00 20.00 C ATOM 0 H MET A 56 -57.189 -15.314 -13.259 1.00 20.00 H new ATOM 0 HA MET A 56 -59.384 -16.164 -14.950 1.00 20.00 H new ATOM 0 HB2 MET A 56 -60.530 -16.618 -12.859 1.00 20.00 H new ATOM 0 HB3 MET A 56 -58.947 -17.368 -12.914 1.00 20.00 H new ATOM 0 HG2 MET A 56 -59.127 -16.546 -10.729 1.00 20.00 H new ATOM 0 HG3 MET A 56 -58.093 -15.389 -11.543 1.00 20.00 H new ATOM 0 HE1 MET A 56 -62.443 -14.754 -10.188 1.00 20.00 H new ATOM 0 HE2 MET A 56 -62.243 -15.400 -11.834 1.00 20.00 H new ATOM 0 HE3 MET A 56 -61.601 -16.301 -10.441 1.00 20.00 H new ATOM 1031 N ARG A 57 -59.198 -13.177 -13.747 1.00 20.00 N ATOM 1032 CA ARG A 57 -59.786 -11.850 -13.783 1.00 20.00 C ATOM 1033 C ARG A 57 -59.589 -11.230 -15.160 1.00 20.00 C ATOM 1034 O ARG A 57 -60.496 -10.602 -15.704 1.00 20.00 O ATOM 1035 CB ARG A 57 -59.167 -10.955 -12.700 1.00 20.00 C ATOM 1036 CG ARG A 57 -59.684 -9.516 -12.692 1.00 20.00 C ATOM 1037 CD ARG A 57 -61.170 -9.427 -12.359 1.00 20.00 C ATOM 1038 NE ARG A 57 -62.014 -9.998 -13.411 1.00 20.00 N ATOM 1039 CZ ARG A 57 -63.227 -10.505 -13.201 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -63.772 -10.455 -11.992 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -63.897 -11.055 -14.206 1.00 20.00 N ATOM 0 H ARG A 57 -58.229 -13.198 -13.429 1.00 20.00 H new ATOM 0 HA ARG A 57 -60.854 -11.937 -13.585 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -59.359 -11.402 -11.724 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -58.086 -10.938 -12.835 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -59.117 -8.935 -11.965 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -59.507 -9.065 -13.668 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -61.361 -9.948 -11.421 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -61.443 -8.383 -12.205 1.00 20.00 H new ATOM 0 HE ARG A 57 -61.650 -10.008 -14.364 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -63.261 -10.027 -11.220 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -64.702 -10.845 -11.835 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -63.482 -11.089 -15.137 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -64.826 -11.444 -14.047 1.00 20.00 H new ATOM 1055 N LYS A 58 -58.399 -11.407 -15.713 1.00 20.00 N ATOM 1056 CA LYS A 58 -58.106 -10.938 -17.055 1.00 20.00 C ATOM 1057 C LYS A 58 -57.080 -11.850 -17.712 1.00 20.00 C ATOM 1058 O LYS A 58 -56.033 -12.140 -17.136 1.00 20.00 O ATOM 1059 CB LYS A 58 -57.598 -9.490 -17.035 1.00 20.00 C ATOM 1060 CG LYS A 58 -56.350 -9.284 -16.190 1.00 20.00 C ATOM 1061 CD LYS A 58 -55.837 -7.857 -16.292 1.00 20.00 C ATOM 1062 CE LYS A 58 -54.572 -7.654 -15.470 1.00 20.00 C ATOM 1063 NZ LYS A 58 -53.463 -8.535 -15.927 1.00 20.00 N ATOM 0 H LYS A 58 -57.619 -11.874 -15.250 1.00 20.00 H new ATOM 0 HA LYS A 58 -59.028 -10.962 -17.636 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -57.388 -9.175 -18.057 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -58.390 -8.843 -16.658 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -56.572 -9.518 -15.149 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -55.572 -9.975 -16.514 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -55.635 -7.616 -17.336 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -56.608 -7.167 -15.949 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -54.259 -6.612 -15.538 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -54.786 -7.855 -14.420 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -52.587 -7.980 -16.002 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -53.327 -9.305 -15.242 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -53.699 -8.937 -16.857 1.00 20.00 H new ATOM 1077 N GLU A 59 -57.384 -12.309 -18.913 1.00 20.00 N ATOM 1078 CA GLU A 59 -56.490 -13.204 -19.636 1.00 20.00 C ATOM 1079 C GLU A 59 -55.466 -12.401 -20.431 1.00 20.00 C ATOM 1080 O GLU A 59 -55.415 -12.474 -21.660 1.00 20.00 O ATOM 1081 CB GLU A 59 -57.292 -14.114 -20.566 1.00 20.00 C ATOM 1082 CG GLU A 59 -58.285 -15.004 -19.837 1.00 20.00 C ATOM 1083 CD GLU A 59 -59.207 -15.728 -20.787 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -60.088 -15.066 -21.374 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -59.062 -16.956 -20.953 1.00 20.00 O ATOM 0 H GLU A 59 -58.244 -12.078 -19.411 1.00 20.00 H new ATOM 0 HA GLU A 59 -55.959 -13.825 -18.915 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -57.829 -13.499 -21.288 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -56.602 -14.740 -21.132 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -57.743 -15.732 -19.234 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -58.876 -14.399 -19.150 1.00 20.00 H new ATOM 1092 N ARG A 60 -54.663 -11.623 -19.719 1.00 20.00 N ATOM 1093 CA ARG A 60 -53.677 -10.759 -20.345 1.00 20.00 C ATOM 1094 C ARG A 60 -52.508 -10.531 -19.390 1.00 20.00 C ATOM 1095 O ARG A 60 -52.712 -10.334 -18.191 1.00 20.00 O ATOM 1096 CB ARG A 60 -54.336 -9.433 -20.728 1.00 20.00 C ATOM 1097 CG ARG A 60 -53.498 -8.559 -21.644 1.00 20.00 C ATOM 1098 CD ARG A 60 -54.283 -7.343 -22.107 1.00 20.00 C ATOM 1099 NE ARG A 60 -55.539 -7.726 -22.754 1.00 20.00 N ATOM 1100 CZ ARG A 60 -56.487 -6.867 -23.126 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -56.318 -5.562 -22.943 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -57.603 -7.316 -23.684 1.00 20.00 N ATOM 0 H ARG A 60 -54.677 -11.574 -18.700 1.00 20.00 H new ATOM 0 HA ARG A 60 -53.292 -11.232 -21.248 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -55.288 -9.642 -21.216 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -54.559 -8.876 -19.818 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -52.597 -8.237 -21.121 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -53.175 -9.138 -22.509 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -54.495 -6.699 -21.253 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -53.678 -6.762 -22.802 1.00 20.00 H new ATOM 0 HE ARG A 60 -55.699 -8.717 -22.932 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -55.460 -5.214 -22.516 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -57.047 -4.908 -23.229 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -57.734 -8.317 -23.828 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -58.330 -6.660 -23.970 1.00 20.00 H new ATOM 1116 N SER A 61 -51.290 -10.573 -19.916 1.00 20.00 N ATOM 1117 CA SER A 61 -50.095 -10.469 -19.083 1.00 20.00 C ATOM 1118 C SER A 61 -49.511 -9.058 -19.103 1.00 20.00 C ATOM 1119 O SER A 61 -48.578 -8.758 -18.361 1.00 20.00 O ATOM 1120 CB SER A 61 -49.041 -11.477 -19.549 1.00 20.00 C ATOM 1121 OG SER A 61 -49.592 -12.781 -19.637 1.00 20.00 O ATOM 0 H SER A 61 -51.102 -10.678 -20.913 1.00 20.00 H new ATOM 0 HA SER A 61 -50.387 -10.694 -18.057 1.00 20.00 H new ATOM 0 HB2 SER A 61 -48.650 -11.177 -20.521 1.00 20.00 H new ATOM 0 HB3 SER A 61 -48.201 -11.479 -18.854 1.00 20.00 H new ATOM 0 HG SER A 61 -48.902 -13.408 -19.938 1.00 20.00 H new ATOM 1127 N LYS A 62 -50.063 -8.194 -19.947 1.00 20.00 N ATOM 1128 CA LYS A 62 -49.572 -6.824 -20.059 1.00 20.00 C ATOM 1129 C LYS A 62 -49.782 -6.068 -18.751 1.00 20.00 C ATOM 1130 O LYS A 62 -50.872 -6.088 -18.184 1.00 20.00 O ATOM 1131 CB LYS A 62 -50.269 -6.090 -21.203 1.00 20.00 C ATOM 1132 CG LYS A 62 -49.959 -6.672 -22.571 1.00 20.00 C ATOM 1133 CD LYS A 62 -50.595 -5.858 -23.687 1.00 20.00 C ATOM 1134 CE LYS A 62 -50.042 -4.438 -23.745 1.00 20.00 C ATOM 1135 NZ LYS A 62 -50.593 -3.674 -24.896 1.00 20.00 N ATOM 0 H LYS A 62 -50.847 -8.415 -20.561 1.00 20.00 H new ATOM 0 HA LYS A 62 -48.504 -6.867 -20.272 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -51.346 -6.118 -21.040 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -49.972 -5.041 -21.187 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -48.879 -6.706 -22.716 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -50.320 -7.699 -22.619 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -50.421 -6.354 -24.642 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -51.674 -5.821 -23.539 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -50.280 -3.918 -22.817 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -48.955 -4.475 -23.821 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -50.192 -2.714 -24.899 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -50.345 -4.156 -25.783 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -51.628 -3.617 -24.811 1.00 20.00 H new ATOM 1149 N GLN A 63 -48.737 -5.414 -18.276 1.00 20.00 N ATOM 1150 CA GLN A 63 -48.796 -4.692 -17.014 1.00 20.00 C ATOM 1151 C GLN A 63 -49.094 -3.216 -17.267 1.00 20.00 C ATOM 1152 O GLN A 63 -48.147 -2.454 -17.548 1.00 20.00 O ATOM 1153 CB GLN A 63 -47.470 -4.850 -16.258 1.00 20.00 C ATOM 1154 CG GLN A 63 -47.507 -4.332 -14.830 1.00 20.00 C ATOM 1155 CD GLN A 63 -48.488 -5.093 -13.960 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -49.656 -4.723 -13.849 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -48.021 -6.163 -13.338 1.00 20.00 N ATOM 1158 OXT GLN A 63 -50.281 -2.824 -17.205 1.00 20.00 O ATOM 0 H GLN A 63 -47.833 -5.367 -18.746 1.00 20.00 H new ATOM 0 HA GLN A 63 -49.598 -5.107 -16.403 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -47.195 -5.905 -16.244 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -46.687 -4.324 -16.804 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -46.510 -4.404 -14.395 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -47.777 -3.276 -14.837 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -47.046 -6.437 -13.456 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -48.636 -6.715 -12.740 1.00 20.00 H new TER 1167 GLN A 63