USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS NZ :NH3+ 172:sc= -0.0104 (180deg=-0.101) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ -132:sc= 0.12 (180deg=-0.0324) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 47:sc= 0.0723 USER MOD Single : A 17 GLN : amide:sc= 0.194 X(o=0.19,f=-0.088) USER MOD Single : A 19 ASN : amide:sc= -2.19! C(o=-2.2!,f=-3.5!) USER MOD Single : A 20 SER OG : rot 71:sc= 0.409 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.04 X(o=-1,f=-0.55) USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0211) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.093 X(o=-0.093,f=-0.055) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -161:sc= -0.0795 (180deg=-0.524) 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+ -155:sc= -1.46 (180deg=-2.69!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -17.544 33.760 -16.436 1.00 20.00 N ATOM 2 CA MET A -7 -17.260 34.263 -15.073 1.00 20.00 C ATOM 3 C MET A -7 -16.660 33.155 -14.219 1.00 20.00 C ATOM 4 O MET A -7 -16.191 32.146 -14.752 1.00 20.00 O ATOM 5 CB MET A -7 -18.543 34.791 -14.419 1.00 20.00 C ATOM 6 CG MET A -7 -19.109 36.030 -15.090 1.00 20.00 C ATOM 7 SD MET A -7 -17.949 37.412 -15.084 1.00 20.00 S ATOM 8 CE MET A -7 -18.933 38.674 -15.887 1.00 20.00 C ATOM 0 H1 MET A -7 -17.172 34.431 -17.138 1.00 20.00 H new ATOM 0 H2 MET A -7 -17.089 32.834 -16.566 1.00 20.00 H new ATOM 0 H3 MET A -7 -18.572 33.661 -16.563 1.00 20.00 H new ATOM 0 HA MET A -7 -16.543 35.081 -15.148 1.00 20.00 H new ATOM 0 HB2 MET A -7 -19.297 34.004 -14.434 1.00 20.00 H new ATOM 0 HB3 MET A -7 -18.339 35.017 -13.372 1.00 20.00 H new ATOM 0 HG2 MET A -7 -19.378 35.791 -16.119 1.00 20.00 H new ATOM 0 HG3 MET A -7 -20.026 36.328 -14.581 1.00 20.00 H new ATOM 0 HE1 MET A -7 -18.354 39.595 -15.960 1.00 20.00 H new ATOM 0 HE2 MET A -7 -19.209 38.339 -16.887 1.00 20.00 H new ATOM 0 HE3 MET A -7 -19.835 38.858 -15.304 1.00 20.00 H new ATOM 20 N ASP A -6 -16.665 33.360 -12.899 1.00 20.00 N ATOM 21 CA ASP A -6 -16.144 32.382 -11.939 1.00 20.00 C ATOM 22 C ASP A -6 -14.640 32.221 -12.096 1.00 20.00 C ATOM 23 O ASP A -6 -14.094 31.140 -11.877 1.00 20.00 O ATOM 24 CB ASP A -6 -16.826 31.013 -12.088 1.00 20.00 C ATOM 25 CG ASP A -6 -18.313 31.043 -11.797 1.00 20.00 C ATOM 26 OD1 ASP A -6 -18.694 31.079 -10.607 1.00 20.00 O ATOM 27 OD2 ASP A -6 -19.113 31.019 -12.760 1.00 20.00 O ATOM 0 H ASP A -6 -17.030 34.208 -12.466 1.00 20.00 H new ATOM 0 HA ASP A -6 -16.365 32.766 -10.943 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -16.670 30.647 -13.103 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -16.347 30.302 -11.415 1.00 20.00 H new ATOM 32 N TYR A -5 -13.967 33.301 -12.469 1.00 20.00 N ATOM 33 CA TYR A -5 -12.517 33.269 -12.643 1.00 20.00 C ATOM 34 C TYR A -5 -11.809 33.622 -11.344 1.00 20.00 C ATOM 35 O TYR A -5 -10.588 33.780 -11.306 1.00 20.00 O ATOM 36 CB TYR A -5 -12.068 34.212 -13.764 1.00 20.00 C ATOM 37 CG TYR A -5 -12.510 33.772 -15.145 1.00 20.00 C ATOM 38 CD1 TYR A -5 -12.099 32.551 -15.669 1.00 20.00 C ATOM 39 CD2 TYR A -5 -13.325 34.579 -15.928 1.00 20.00 C ATOM 40 CE1 TYR A -5 -12.490 32.149 -16.931 1.00 20.00 C ATOM 41 CE2 TYR A -5 -13.722 34.181 -17.190 1.00 20.00 C ATOM 42 CZ TYR A -5 -13.301 32.967 -17.686 1.00 20.00 C ATOM 43 OH TYR A -5 -13.691 32.571 -18.945 1.00 20.00 O ATOM 0 H TYR A -5 -14.397 34.207 -12.657 1.00 20.00 H new ATOM 0 HA TYR A -5 -12.243 32.252 -12.925 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -12.462 35.209 -13.567 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -10.981 34.289 -13.748 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -11.464 31.907 -15.079 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -13.654 35.533 -15.544 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -12.162 31.198 -17.324 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -14.359 34.819 -17.785 1.00 20.00 H new ATOM 0 HH TYR A -5 -14.262 33.261 -19.343 1.00 20.00 H new ATOM 53 N LYS A -4 -12.586 33.752 -10.283 1.00 20.00 N ATOM 54 CA LYS A -4 -12.037 33.976 -8.956 1.00 20.00 C ATOM 55 C LYS A -4 -11.939 32.643 -8.228 1.00 20.00 C ATOM 56 O LYS A -4 -10.848 32.108 -8.022 1.00 20.00 O ATOM 57 CB LYS A -4 -12.914 34.947 -8.158 1.00 20.00 C ATOM 58 CG LYS A -4 -13.023 36.336 -8.772 1.00 20.00 C ATOM 59 CD LYS A -4 -13.905 37.243 -7.930 1.00 20.00 C ATOM 60 CE LYS A -4 -14.016 38.632 -8.535 1.00 20.00 C ATOM 61 NZ LYS A -4 -14.845 39.535 -7.696 1.00 20.00 N ATOM 0 H LYS A -4 -13.604 33.706 -10.315 1.00 20.00 H new ATOM 0 HA LYS A -4 -11.046 34.420 -9.052 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -13.914 34.523 -8.065 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -12.511 35.038 -7.149 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -12.029 36.774 -8.864 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -13.432 36.260 -9.779 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -14.899 36.804 -7.840 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -13.496 37.316 -6.922 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -13.020 39.058 -8.652 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -14.451 38.561 -9.532 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -14.897 40.473 -8.142 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -15.803 39.142 -7.605 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -14.416 39.624 -6.753 1.00 20.00 H new ATOM 75 N ASP A -3 -13.091 32.103 -7.865 1.00 20.00 N ATOM 76 CA ASP A -3 -13.169 30.786 -7.257 1.00 20.00 C ATOM 77 C ASP A -3 -14.546 30.200 -7.524 1.00 20.00 C ATOM 78 O ASP A -3 -15.457 30.934 -7.912 1.00 20.00 O ATOM 79 CB ASP A -3 -12.912 30.865 -5.747 1.00 20.00 C ATOM 80 CG ASP A -3 -12.509 29.529 -5.151 1.00 20.00 C ATOM 81 OD1 ASP A -3 -13.401 28.700 -4.869 1.00 20.00 O ATOM 82 OD2 ASP A -3 -11.294 29.310 -4.958 1.00 20.00 O ATOM 0 H ASP A -3 -13.994 32.563 -7.983 1.00 20.00 H new ATOM 0 HA ASP A -3 -12.403 30.145 -7.694 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -12.127 31.596 -5.554 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -13.812 31.224 -5.248 1.00 20.00 H new ATOM 87 N ASP A -2 -14.705 28.899 -7.339 1.00 20.00 N ATOM 88 CA ASP A -2 -16.006 28.265 -7.525 1.00 20.00 C ATOM 89 C ASP A -2 -16.983 28.762 -6.473 1.00 20.00 C ATOM 90 O ASP A -2 -18.134 29.085 -6.775 1.00 20.00 O ATOM 91 CB ASP A -2 -15.900 26.738 -7.460 1.00 20.00 C ATOM 92 CG ASP A -2 -15.309 26.139 -8.722 1.00 20.00 C ATOM 93 OD1 ASP A -2 -14.078 26.222 -8.907 1.00 20.00 O ATOM 94 OD2 ASP A -2 -16.075 25.586 -9.541 1.00 20.00 O ATOM 0 H ASP A -2 -13.957 28.263 -7.062 1.00 20.00 H new ATOM 0 HA ASP A -2 -16.371 28.535 -8.516 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -15.284 26.457 -6.606 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -16.891 26.316 -7.291 1.00 20.00 H new ATOM 99 N ASP A -1 -16.504 28.843 -5.243 1.00 20.00 N ATOM 100 CA ASP A -1 -17.308 29.326 -4.130 1.00 20.00 C ATOM 101 C ASP A -1 -16.502 30.313 -3.305 1.00 20.00 C ATOM 102 O ASP A -1 -15.323 30.092 -3.024 1.00 20.00 O ATOM 103 CB ASP A -1 -17.766 28.171 -3.235 1.00 20.00 C ATOM 104 CG ASP A -1 -18.714 27.217 -3.932 1.00 20.00 C ATOM 105 OD1 ASP A -1 -19.893 27.577 -4.137 1.00 20.00 O ATOM 106 OD2 ASP A -1 -18.291 26.090 -4.266 1.00 20.00 O ATOM 0 H ASP A -1 -15.553 28.578 -4.987 1.00 20.00 H new ATOM 0 HA ASP A -1 -18.191 29.817 -4.539 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -16.892 27.618 -2.891 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -18.255 28.577 -2.350 1.00 20.00 H new ATOM 111 N ASP A 0 -17.151 31.401 -2.911 1.00 20.00 N ATOM 112 CA ASP A 0 -16.496 32.463 -2.154 1.00 20.00 C ATOM 113 C ASP A 0 -16.077 31.974 -0.775 1.00 20.00 C ATOM 114 O ASP A 0 -15.084 32.432 -0.216 1.00 20.00 O ATOM 115 CB ASP A 0 -17.421 33.674 -2.012 1.00 20.00 C ATOM 116 CG ASP A 0 -17.689 34.371 -3.331 1.00 20.00 C ATOM 117 OD1 ASP A 0 -16.831 35.161 -3.777 1.00 20.00 O ATOM 118 OD2 ASP A 0 -18.759 34.134 -3.929 1.00 20.00 O ATOM 0 H ASP A 0 -18.138 31.573 -3.104 1.00 20.00 H new ATOM 0 HA ASP A 0 -15.603 32.759 -2.705 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -18.368 33.352 -1.578 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -16.976 34.385 -1.315 1.00 20.00 H new ATOM 123 N LYS A 1 -16.852 31.053 -0.225 1.00 20.00 N ATOM 124 CA LYS A 1 -16.534 30.453 1.063 1.00 20.00 C ATOM 125 C LYS A 1 -15.753 29.157 0.883 1.00 20.00 C ATOM 126 O LYS A 1 -15.358 28.529 1.866 1.00 20.00 O ATOM 127 CB LYS A 1 -17.812 30.173 1.856 1.00 20.00 C ATOM 128 CG LYS A 1 -18.540 31.430 2.310 1.00 20.00 C ATOM 129 CD LYS A 1 -19.834 31.098 3.037 1.00 20.00 C ATOM 130 CE LYS A 1 -19.595 30.212 4.254 1.00 20.00 C ATOM 131 NZ LYS A 1 -18.645 30.825 5.223 1.00 20.00 N ATOM 0 H LYS A 1 -17.710 30.703 -0.652 1.00 20.00 H new ATOM 0 HA LYS A 1 -15.917 31.162 1.615 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -18.486 29.576 1.242 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -17.562 29.573 2.731 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -17.891 32.009 2.967 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -18.759 32.057 1.445 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -20.320 32.022 3.351 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -20.516 30.596 2.351 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -20.545 30.020 4.753 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -19.205 29.248 3.928 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -18.618 30.253 6.091 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -17.695 30.861 4.802 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -18.958 31.790 5.453 1.00 20.00 H new ATOM 145 N ASN A 2 -15.530 28.781 -0.378 1.00 20.00 N ATOM 146 CA ASN A 2 -14.886 27.510 -0.734 1.00 20.00 C ATOM 147 C ASN A 2 -15.795 26.331 -0.410 1.00 20.00 C ATOM 148 O ASN A 2 -16.279 25.644 -1.307 1.00 20.00 O ATOM 149 CB ASN A 2 -13.527 27.346 -0.042 1.00 20.00 C ATOM 150 CG ASN A 2 -12.467 28.263 -0.615 1.00 20.00 C ATOM 151 OD1 ASN A 2 -12.320 29.409 -0.188 1.00 20.00 O ATOM 152 ND2 ASN A 2 -11.712 27.765 -1.582 1.00 20.00 N ATOM 0 H ASN A 2 -15.791 29.349 -1.184 1.00 20.00 H new ATOM 0 HA ASN A 2 -14.709 27.528 -1.809 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -13.639 27.548 1.023 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -13.197 26.311 -0.138 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -10.977 28.336 -2.001 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -11.865 26.811 -1.908 1.00 20.00 H new ATOM 159 N ARG A 3 -16.042 26.110 0.871 1.00 20.00 N ATOM 160 CA ARG A 3 -16.923 25.040 1.304 1.00 20.00 C ATOM 161 C ARG A 3 -18.338 25.569 1.498 1.00 20.00 C ATOM 162 O ARG A 3 -18.783 25.803 2.622 1.00 20.00 O ATOM 163 CB ARG A 3 -16.406 24.403 2.598 1.00 20.00 C ATOM 164 CG ARG A 3 -15.074 23.690 2.433 1.00 20.00 C ATOM 165 CD ARG A 3 -14.540 23.162 3.755 1.00 20.00 C ATOM 166 NE ARG A 3 -15.442 22.191 4.370 1.00 20.00 N ATOM 167 CZ ARG A 3 -15.036 21.148 5.093 1.00 20.00 C ATOM 168 NH1 ARG A 3 -13.739 20.925 5.277 1.00 20.00 N ATOM 169 NH2 ARG A 3 -15.929 20.330 5.634 1.00 20.00 N ATOM 0 H ARG A 3 -15.642 26.660 1.631 1.00 20.00 H new ATOM 0 HA ARG A 3 -16.940 24.272 0.530 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -16.303 25.177 3.359 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -17.147 23.692 2.965 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -15.191 22.862 1.733 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -14.348 24.376 1.997 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -13.567 22.698 3.592 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -14.385 23.995 4.440 1.00 20.00 H new ATOM 0 HE ARG A 3 -16.445 22.320 4.238 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -13.050 21.553 4.864 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -13.433 20.125 5.831 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -16.925 20.500 5.496 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -15.619 19.531 6.188 1.00 20.00 H new ATOM 183 N ALA A 4 -19.032 25.774 0.390 1.00 20.00 N ATOM 184 CA ALA A 4 -20.405 26.249 0.421 1.00 20.00 C ATOM 185 C ALA A 4 -21.369 25.086 0.214 1.00 20.00 C ATOM 186 O ALA A 4 -21.707 24.739 -0.918 1.00 20.00 O ATOM 187 CB ALA A 4 -20.618 27.318 -0.642 1.00 20.00 C ATOM 0 H ALA A 4 -18.663 25.617 -0.548 1.00 20.00 H new ATOM 0 HA ALA A 4 -20.602 26.691 1.397 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -21.651 27.665 -0.607 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -19.947 28.156 -0.454 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -20.409 26.899 -1.626 1.00 20.00 H new ATOM 193 N LEU A 5 -21.794 24.473 1.306 1.00 20.00 N ATOM 194 CA LEU A 5 -22.679 23.320 1.229 1.00 20.00 C ATOM 195 C LEU A 5 -24.101 23.706 1.612 1.00 20.00 C ATOM 196 O LEU A 5 -24.391 23.969 2.780 1.00 20.00 O ATOM 197 CB LEU A 5 -22.183 22.182 2.136 1.00 20.00 C ATOM 198 CG LEU A 5 -20.996 21.365 1.602 1.00 20.00 C ATOM 199 CD1 LEU A 5 -19.720 22.193 1.564 1.00 20.00 C ATOM 200 CD2 LEU A 5 -20.788 20.118 2.443 1.00 20.00 C ATOM 0 H LEU A 5 -21.542 24.752 2.254 1.00 20.00 H new ATOM 0 HA LEU A 5 -22.675 22.968 0.198 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -21.902 22.608 3.099 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -23.014 21.501 2.319 1.00 20.00 H new ATOM 0 HG LEU A 5 -21.233 21.068 0.580 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -18.902 21.583 1.181 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -19.865 23.055 0.913 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -19.478 22.535 2.570 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -19.944 19.551 2.051 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -20.585 20.405 3.475 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -21.686 19.502 2.408 1.00 20.00 H new ATOM 212 N SER A 6 -24.980 23.750 0.623 1.00 20.00 N ATOM 213 CA SER A 6 -26.378 24.070 0.854 1.00 20.00 C ATOM 214 C SER A 6 -27.114 22.848 1.398 1.00 20.00 C ATOM 215 O SER A 6 -27.041 21.767 0.810 1.00 20.00 O ATOM 216 CB SER A 6 -27.027 24.538 -0.448 1.00 20.00 C ATOM 217 OG SER A 6 -26.273 25.579 -1.048 1.00 20.00 O ATOM 0 H SER A 6 -24.747 23.567 -0.353 1.00 20.00 H new ATOM 0 HA SER A 6 -26.440 24.872 1.589 1.00 20.00 H new ATOM 0 HB2 SER A 6 -27.109 23.699 -1.139 1.00 20.00 H new ATOM 0 HB3 SER A 6 -28.040 24.887 -0.248 1.00 20.00 H new ATOM 0 HG SER A 6 -26.708 25.860 -1.880 1.00 20.00 H new ATOM 223 N PRO A 7 -27.805 22.995 2.544 1.00 20.00 N ATOM 224 CA PRO A 7 -28.585 21.908 3.149 1.00 20.00 C ATOM 225 C PRO A 7 -29.599 21.314 2.173 1.00 20.00 C ATOM 226 O PRO A 7 -30.611 21.943 1.853 1.00 20.00 O ATOM 227 CB PRO A 7 -29.307 22.584 4.320 1.00 20.00 C ATOM 228 CG PRO A 7 -28.490 23.788 4.638 1.00 20.00 C ATOM 229 CD PRO A 7 -27.868 24.233 3.344 1.00 20.00 C ATOM 0 HA PRO A 7 -27.950 21.075 3.451 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -30.326 22.860 4.048 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -29.376 21.916 5.179 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -29.111 24.577 5.062 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -27.724 23.553 5.377 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -28.470 24.998 2.852 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -26.877 24.659 3.501 1.00 20.00 H new ATOM 237 N MET A 8 -29.324 20.103 1.709 1.00 20.00 N ATOM 238 CA MET A 8 -30.162 19.454 0.709 1.00 20.00 C ATOM 239 C MET A 8 -31.464 18.961 1.328 1.00 20.00 C ATOM 240 O MET A 8 -31.465 18.388 2.416 1.00 20.00 O ATOM 241 CB MET A 8 -29.425 18.283 0.057 1.00 20.00 C ATOM 242 CG MET A 8 -28.146 18.685 -0.656 1.00 20.00 C ATOM 243 SD MET A 8 -27.363 17.300 -1.504 1.00 20.00 S ATOM 244 CE MET A 8 -25.891 18.089 -2.150 1.00 20.00 C ATOM 0 H MET A 8 -28.523 19.548 2.010 1.00 20.00 H new ATOM 0 HA MET A 8 -30.395 20.194 -0.057 1.00 20.00 H new ATOM 0 HB2 MET A 8 -29.187 17.544 0.822 1.00 20.00 H new ATOM 0 HB3 MET A 8 -30.091 17.799 -0.657 1.00 20.00 H new ATOM 0 HG2 MET A 8 -28.368 19.470 -1.378 1.00 20.00 H new ATOM 0 HG3 MET A 8 -27.448 19.106 0.067 1.00 20.00 H new ATOM 0 HE1 MET A 8 -25.299 17.359 -2.702 1.00 20.00 H new ATOM 0 HE2 MET A 8 -26.177 18.903 -2.816 1.00 20.00 H new ATOM 0 HE3 MET A 8 -25.299 18.486 -1.325 1.00 20.00 H new ATOM 254 N VAL A 9 -32.566 19.167 0.620 1.00 20.00 N ATOM 255 CA VAL A 9 -33.886 18.792 1.116 1.00 20.00 C ATOM 256 C VAL A 9 -34.193 17.320 0.840 1.00 20.00 C ATOM 257 O VAL A 9 -35.247 16.964 0.310 1.00 20.00 O ATOM 258 CB VAL A 9 -34.994 19.679 0.515 1.00 20.00 C ATOM 259 CG1 VAL A 9 -34.870 21.099 1.037 1.00 20.00 C ATOM 260 CG2 VAL A 9 -34.946 19.669 -1.009 1.00 20.00 C ATOM 0 H VAL A 9 -32.573 19.595 -0.306 1.00 20.00 H new ATOM 0 HA VAL A 9 -33.868 18.946 2.195 1.00 20.00 H new ATOM 0 HB VAL A 9 -35.957 19.270 0.822 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -35.658 21.716 0.605 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -34.965 21.097 2.123 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -33.898 21.505 0.758 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -35.740 20.304 -1.402 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -33.980 20.046 -1.345 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -35.084 18.650 -1.371 1.00 20.00 H new ATOM 270 N SER A 10 -33.260 16.472 1.221 1.00 20.00 N ATOM 271 CA SER A 10 -33.390 15.041 1.037 1.00 20.00 C ATOM 272 C SER A 10 -32.463 14.331 2.012 1.00 20.00 C ATOM 273 O SER A 10 -31.348 14.793 2.260 1.00 20.00 O ATOM 274 CB SER A 10 -33.051 14.658 -0.408 1.00 20.00 C ATOM 275 OG SER A 10 -33.217 13.267 -0.633 1.00 20.00 O ATOM 0 H SER A 10 -32.388 16.756 1.668 1.00 20.00 H new ATOM 0 HA SER A 10 -34.419 14.738 1.232 1.00 20.00 H new ATOM 0 HB2 SER A 10 -33.690 15.216 -1.092 1.00 20.00 H new ATOM 0 HB3 SER A 10 -32.022 14.942 -0.628 1.00 20.00 H new ATOM 0 HG SER A 10 -32.994 13.057 -1.564 1.00 20.00 H new ATOM 281 N GLU A 11 -32.928 13.230 2.580 1.00 20.00 N ATOM 282 CA GLU A 11 -32.145 12.484 3.555 1.00 20.00 C ATOM 283 C GLU A 11 -32.043 11.024 3.140 1.00 20.00 C ATOM 284 O GLU A 11 -32.898 10.518 2.412 1.00 20.00 O ATOM 285 CB GLU A 11 -32.784 12.591 4.944 1.00 20.00 C ATOM 286 CG GLU A 11 -33.011 14.020 5.409 1.00 20.00 C ATOM 287 CD GLU A 11 -33.728 14.085 6.737 1.00 20.00 C ATOM 288 OE1 GLU A 11 -34.971 13.960 6.753 1.00 20.00 O ATOM 289 OE2 GLU A 11 -33.056 14.256 7.773 1.00 20.00 O ATOM 0 H GLU A 11 -33.846 12.831 2.383 1.00 20.00 H new ATOM 0 HA GLU A 11 -31.143 12.910 3.596 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -33.739 12.066 4.935 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -32.147 12.081 5.667 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -32.051 14.529 5.492 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -33.592 14.556 4.658 1.00 20.00 H new ATOM 296 N PHE A 12 -30.999 10.357 3.598 1.00 20.00 N ATOM 297 CA PHE A 12 -30.796 8.951 3.297 1.00 20.00 C ATOM 298 C PHE A 12 -31.105 8.091 4.517 1.00 20.00 C ATOM 299 O PHE A 12 -30.207 7.637 5.224 1.00 20.00 O ATOM 300 CB PHE A 12 -29.365 8.704 2.794 1.00 20.00 C ATOM 301 CG PHE A 12 -28.299 9.518 3.490 1.00 20.00 C ATOM 302 CD1 PHE A 12 -27.683 9.052 4.645 1.00 20.00 C ATOM 303 CD2 PHE A 12 -27.906 10.749 2.981 1.00 20.00 C ATOM 304 CE1 PHE A 12 -26.704 9.796 5.275 1.00 20.00 C ATOM 305 CE2 PHE A 12 -26.927 11.495 3.609 1.00 20.00 C ATOM 306 CZ PHE A 12 -26.326 11.018 4.757 1.00 20.00 C ATOM 0 H PHE A 12 -30.274 10.770 4.184 1.00 20.00 H new ATOM 0 HA PHE A 12 -31.484 8.666 2.501 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -29.130 7.646 2.914 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -29.328 8.920 1.726 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -27.973 8.096 5.055 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -28.371 11.128 2.083 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -26.235 9.421 6.173 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -26.632 12.451 3.202 1.00 20.00 H new ATOM 0 HZ PHE A 12 -25.561 11.601 5.249 1.00 20.00 H new ATOM 316 N GLU A 13 -32.386 7.865 4.756 1.00 20.00 N ATOM 317 CA GLU A 13 -32.820 7.108 5.920 1.00 20.00 C ATOM 318 C GLU A 13 -32.912 5.621 5.604 1.00 20.00 C ATOM 319 O GLU A 13 -33.566 5.230 4.636 1.00 20.00 O ATOM 320 CB GLU A 13 -34.171 7.614 6.427 1.00 20.00 C ATOM 321 CG GLU A 13 -34.101 8.991 7.067 1.00 20.00 C ATOM 322 CD GLU A 13 -33.192 9.014 8.276 1.00 20.00 C ATOM 323 OE1 GLU A 13 -33.587 8.478 9.333 1.00 20.00 O ATOM 324 OE2 GLU A 13 -32.081 9.565 8.183 1.00 20.00 O ATOM 0 H GLU A 13 -33.145 8.195 4.159 1.00 20.00 H new ATOM 0 HA GLU A 13 -32.074 7.253 6.701 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -34.874 7.644 5.595 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -34.567 6.904 7.153 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -33.744 9.713 6.333 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -35.103 9.304 7.362 1.00 20.00 H new ATOM 331 N THR A 14 -32.266 4.808 6.440 1.00 20.00 N ATOM 332 CA THR A 14 -32.255 3.351 6.293 1.00 20.00 C ATOM 333 C THR A 14 -31.980 2.912 4.857 1.00 20.00 C ATOM 334 O THR A 14 -32.865 2.405 4.165 1.00 20.00 O ATOM 335 CB THR A 14 -33.569 2.711 6.801 1.00 20.00 C ATOM 336 OG1 THR A 14 -34.712 3.406 6.276 1.00 20.00 O ATOM 337 CG2 THR A 14 -33.620 2.722 8.320 1.00 20.00 C ATOM 0 H THR A 14 -31.733 5.143 7.243 1.00 20.00 H new ATOM 0 HA THR A 14 -31.434 2.994 6.915 1.00 20.00 H new ATOM 0 HB THR A 14 -33.592 1.679 6.452 1.00 20.00 H new ATOM 0 HG1 THR A 14 -34.595 3.547 5.313 1.00 20.00 H new ATOM 0 HG21 THR A 14 -34.552 2.268 8.656 1.00 20.00 H new ATOM 0 HG22 THR A 14 -32.777 2.156 8.716 1.00 20.00 H new ATOM 0 HG23 THR A 14 -33.568 3.750 8.678 1.00 20.00 H new ATOM 345 N ILE A 15 -30.749 3.117 4.410 1.00 20.00 N ATOM 346 CA ILE A 15 -30.353 2.721 3.068 1.00 20.00 C ATOM 347 C ILE A 15 -30.320 1.194 2.951 1.00 20.00 C ATOM 348 O ILE A 15 -30.038 0.484 3.921 1.00 20.00 O ATOM 349 CB ILE A 15 -28.974 3.318 2.687 1.00 20.00 C ATOM 350 CG1 ILE A 15 -28.695 3.159 1.188 1.00 20.00 C ATOM 351 CG2 ILE A 15 -27.858 2.671 3.494 1.00 20.00 C ATOM 352 CD1 ILE A 15 -29.604 3.982 0.302 1.00 20.00 C ATOM 0 H ILE A 15 -30.008 3.555 4.958 1.00 20.00 H new ATOM 0 HA ILE A 15 -31.093 3.114 2.372 1.00 20.00 H new ATOM 0 HB ILE A 15 -29.004 4.382 2.922 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -27.660 3.439 0.990 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -28.797 2.108 0.919 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -26.901 3.108 3.207 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -28.031 2.842 4.556 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -27.841 1.599 3.297 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -29.343 3.814 -0.743 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -30.640 3.687 0.469 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -29.485 5.039 0.541 1.00 20.00 H new ATOM 364 N GLU A 16 -30.625 0.697 1.759 1.00 20.00 N ATOM 365 CA GLU A 16 -30.734 -0.736 1.519 1.00 20.00 C ATOM 366 C GLU A 16 -29.369 -1.413 1.441 1.00 20.00 C ATOM 367 O GLU A 16 -29.288 -2.639 1.362 1.00 20.00 O ATOM 368 CB GLU A 16 -31.531 -1.002 0.245 1.00 20.00 C ATOM 369 CG GLU A 16 -33.008 -0.668 0.383 1.00 20.00 C ATOM 370 CD GLU A 16 -33.776 -0.852 -0.906 1.00 20.00 C ATOM 371 OE1 GLU A 16 -34.231 -1.983 -1.175 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.951 0.142 -1.647 1.00 20.00 O ATOM 0 H GLU A 16 -30.803 1.272 0.936 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.262 -1.167 2.370 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.107 -0.416 -0.570 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -31.426 -2.052 -0.029 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -33.447 -1.300 1.155 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -33.112 0.364 0.718 1.00 20.00 H new ATOM 379 N GLN A 17 -28.306 -0.617 1.443 1.00 20.00 N ATOM 380 CA GLN A 17 -26.946 -1.147 1.390 1.00 20.00 C ATOM 381 C GLN A 17 -26.707 -2.161 2.513 1.00 20.00 C ATOM 382 O GLN A 17 -26.181 -3.248 2.271 1.00 20.00 O ATOM 383 CB GLN A 17 -25.918 -0.012 1.470 1.00 20.00 C ATOM 384 CG GLN A 17 -24.474 -0.486 1.344 1.00 20.00 C ATOM 385 CD GLN A 17 -24.196 -1.199 0.032 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.823 -0.576 -0.961 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.367 -2.513 0.018 1.00 20.00 N ATOM 0 H GLN A 17 -28.359 0.401 1.481 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.824 -1.659 0.436 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.125 0.710 0.680 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.039 0.510 2.419 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -23.807 0.371 1.434 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.244 -1.157 2.172 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -24.678 -2.996 0.861 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.188 -3.042 -0.836 1.00 20.00 H new ATOM 396 N GLU A 18 -27.114 -1.816 3.730 1.00 20.00 N ATOM 397 CA GLU A 18 -26.962 -2.720 4.866 1.00 20.00 C ATOM 398 C GLU A 18 -27.904 -3.915 4.733 1.00 20.00 C ATOM 399 O GLU A 18 -27.608 -5.012 5.212 1.00 20.00 O ATOM 400 CB GLU A 18 -27.222 -2.001 6.200 1.00 20.00 C ATOM 401 CG GLU A 18 -26.154 -0.985 6.600 1.00 20.00 C ATOM 402 CD GLU A 18 -26.222 0.302 5.806 1.00 20.00 C ATOM 403 OE1 GLU A 18 -25.575 0.390 4.743 1.00 20.00 O ATOM 404 OE2 GLU A 18 -26.917 1.236 6.252 1.00 20.00 O ATOM 0 H GLU A 18 -27.550 -0.922 3.955 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.931 -3.073 4.863 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.184 -1.491 6.140 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.306 -2.748 6.989 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.260 -0.755 7.660 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.169 -1.433 6.468 1.00 20.00 H new ATOM 411 N ASN A 19 -29.028 -3.702 4.061 1.00 20.00 N ATOM 412 CA ASN A 19 -30.002 -4.768 3.843 1.00 20.00 C ATOM 413 C ASN A 19 -29.419 -5.801 2.890 1.00 20.00 C ATOM 414 O ASN A 19 -29.662 -6.999 3.021 1.00 20.00 O ATOM 415 CB ASN A 19 -31.315 -4.215 3.274 1.00 20.00 C ATOM 416 CG ASN A 19 -31.955 -3.148 4.147 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.619 -2.242 3.644 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.768 -3.243 5.455 1.00 20.00 N ATOM 0 H ASN A 19 -29.289 -2.802 3.657 1.00 20.00 H new ATOM 0 HA ASN A 19 -30.222 -5.234 4.803 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.125 -3.798 2.285 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -32.019 -5.037 3.144 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.181 -2.551 6.081 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.211 -4.008 5.836 1.00 20.00 H new ATOM 425 N SER A 20 -28.626 -5.326 1.940 1.00 20.00 N ATOM 426 CA SER A 20 -27.969 -6.202 0.984 1.00 20.00 C ATOM 427 C SER A 20 -26.733 -6.845 1.611 1.00 20.00 C ATOM 428 O SER A 20 -26.271 -7.900 1.170 1.00 20.00 O ATOM 429 CB SER A 20 -27.582 -5.407 -0.265 1.00 20.00 C ATOM 430 OG SER A 20 -28.697 -4.690 -0.773 1.00 20.00 O ATOM 0 H SER A 20 -28.422 -4.335 1.812 1.00 20.00 H new ATOM 0 HA SER A 20 -28.659 -6.996 0.699 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.777 -4.713 -0.024 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.201 -6.085 -1.029 1.00 20.00 H new ATOM 0 HG SER A 20 -28.919 -3.956 -0.163 1.00 20.00 H new ATOM 436 N TYR A 21 -26.218 -6.211 2.659 1.00 20.00 N ATOM 437 CA TYR A 21 -25.012 -6.680 3.325 1.00 20.00 C ATOM 438 C TYR A 21 -25.300 -7.923 4.165 1.00 20.00 C ATOM 439 O TYR A 21 -24.554 -8.901 4.109 1.00 20.00 O ATOM 440 CB TYR A 21 -24.418 -5.572 4.202 1.00 20.00 C ATOM 441 CG TYR A 21 -23.135 -5.970 4.901 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.929 -6.005 4.213 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.130 -6.314 6.248 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.756 -6.372 4.845 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.962 -6.680 6.886 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.778 -6.708 6.181 1.00 20.00 C ATOM 447 OH TYR A 21 -19.613 -7.077 6.813 1.00 20.00 O ATOM 0 H TYR A 21 -26.621 -5.367 3.066 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.285 -6.947 2.558 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.227 -4.695 3.584 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.154 -5.280 4.951 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.907 -5.741 3.166 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.055 -6.295 6.804 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.827 -6.395 4.295 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.976 -6.943 7.933 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.801 -7.281 7.753 1.00 20.00 H new ATOM 457 N ASN A 22 -26.383 -7.893 4.937 1.00 20.00 N ATOM 458 CA ASN A 22 -26.724 -9.030 5.786 1.00 20.00 C ATOM 459 C ASN A 22 -27.156 -10.218 4.932 1.00 20.00 C ATOM 460 O ASN A 22 -26.939 -11.371 5.304 1.00 20.00 O ATOM 461 CB ASN A 22 -27.811 -8.672 6.813 1.00 20.00 C ATOM 462 CG ASN A 22 -29.171 -8.418 6.194 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.937 -9.347 5.953 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.497 -7.157 5.961 1.00 20.00 N ATOM 0 H ASN A 22 -27.030 -7.107 4.992 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.830 -9.306 6.346 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.896 -9.483 7.537 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -27.500 -7.784 7.364 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -30.411 -6.931 5.568 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -28.835 -6.411 6.174 1.00 20.00 H new ATOM 471 N GLU A 23 -27.748 -9.931 3.776 1.00 20.00 N ATOM 472 CA GLU A 23 -28.112 -10.975 2.827 1.00 20.00 C ATOM 473 C GLU A 23 -26.849 -11.640 2.278 1.00 20.00 C ATOM 474 O GLU A 23 -26.804 -12.854 2.076 1.00 20.00 O ATOM 475 CB GLU A 23 -28.949 -10.397 1.684 1.00 20.00 C ATOM 476 CG GLU A 23 -29.435 -11.448 0.696 1.00 20.00 C ATOM 477 CD GLU A 23 -30.246 -10.854 -0.433 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.459 -10.634 -0.246 1.00 20.00 O ATOM 479 OE2 GLU A 23 -29.676 -10.597 -1.514 1.00 20.00 O ATOM 0 H GLU A 23 -27.985 -8.985 3.476 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.712 -11.724 3.343 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.811 -9.877 2.102 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.357 -9.654 1.150 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.576 -11.977 0.282 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.040 -12.185 1.224 1.00 20.00 H new ATOM 486 N TRP A 24 -25.822 -10.828 2.057 1.00 20.00 N ATOM 487 CA TRP A 24 -24.530 -11.323 1.601 1.00 20.00 C ATOM 488 C TRP A 24 -23.907 -12.228 2.662 1.00 20.00 C ATOM 489 O TRP A 24 -23.331 -13.268 2.343 1.00 20.00 O ATOM 490 CB TRP A 24 -23.602 -10.147 1.275 1.00 20.00 C ATOM 491 CG TRP A 24 -22.205 -10.556 0.927 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.819 -11.368 -0.099 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.008 -10.161 1.600 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.454 -11.512 -0.095 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.933 -10.777 0.936 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.741 -9.347 2.705 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -18.614 -10.605 1.338 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -19.430 -9.176 3.102 1.00 20.00 C ATOM 499 CH2 TRP A 24 -18.382 -9.802 2.420 1.00 20.00 C ATOM 0 H TRP A 24 -25.861 -9.817 2.188 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.674 -11.910 0.694 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.024 -9.584 0.442 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.570 -9.473 2.131 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -22.489 -11.829 -0.810 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.915 -12.075 -0.753 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.545 -8.861 3.238 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.802 -11.088 0.815 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.210 -8.549 3.953 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -17.367 -9.648 2.755 1.00 20.00 H new ATOM 510 N LEU A 25 -24.050 -11.839 3.924 1.00 20.00 N ATOM 511 CA LEU A 25 -23.549 -12.643 5.031 1.00 20.00 C ATOM 512 C LEU A 25 -24.289 -13.974 5.090 1.00 20.00 C ATOM 513 O LEU A 25 -23.697 -15.019 5.358 1.00 20.00 O ATOM 514 CB LEU A 25 -23.702 -11.890 6.355 1.00 20.00 C ATOM 515 CG LEU A 25 -22.924 -10.574 6.456 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.167 -9.914 7.804 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.435 -10.805 6.239 1.00 20.00 C ATOM 0 H LEU A 25 -24.509 -10.972 4.205 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.489 -12.837 4.867 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.760 -11.680 6.514 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.382 -12.545 7.165 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.283 -9.907 5.672 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.607 -8.981 7.858 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.231 -9.706 7.921 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -22.838 -10.581 8.600 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -20.905 -9.856 6.316 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.059 -11.493 6.997 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.273 -11.232 5.249 1.00 20.00 H new ATOM 529 N ARG A 26 -25.586 -13.922 4.815 1.00 20.00 N ATOM 530 CA ARG A 26 -26.417 -15.118 4.743 1.00 20.00 C ATOM 531 C ARG A 26 -25.887 -16.083 3.681 1.00 20.00 C ATOM 532 O ARG A 26 -25.802 -17.291 3.914 1.00 20.00 O ATOM 533 CB ARG A 26 -27.873 -14.710 4.455 1.00 20.00 C ATOM 534 CG ARG A 26 -28.801 -15.845 4.039 1.00 20.00 C ATOM 535 CD ARG A 26 -28.884 -15.978 2.522 1.00 20.00 C ATOM 536 NE ARG A 26 -29.844 -16.997 2.106 1.00 20.00 N ATOM 537 CZ ARG A 26 -30.000 -17.405 0.846 1.00 20.00 C ATOM 538 NH1 ARG A 26 -29.244 -16.894 -0.123 1.00 20.00 N ATOM 539 NH2 ARG A 26 -30.920 -18.316 0.555 1.00 20.00 N ATOM 0 H ARG A 26 -26.090 -13.054 4.636 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.383 -15.640 5.699 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.283 -14.237 5.347 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.872 -13.957 3.667 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.445 -16.782 4.468 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.797 -15.668 4.444 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.167 -15.018 2.090 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -27.899 -16.227 2.127 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.431 -17.423 2.823 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -28.542 -16.187 0.097 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -29.367 -17.209 -1.085 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.506 -18.703 1.294 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -31.041 -18.629 -0.408 1.00 20.00 H new ATOM 553 N ALA A 27 -25.514 -15.537 2.529 1.00 20.00 N ATOM 554 CA ALA A 27 -24.987 -16.338 1.431 1.00 20.00 C ATOM 555 C ALA A 27 -23.629 -16.930 1.788 1.00 20.00 C ATOM 556 O ALA A 27 -23.277 -18.024 1.342 1.00 20.00 O ATOM 557 CB ALA A 27 -24.879 -15.499 0.170 1.00 20.00 C ATOM 0 H ALA A 27 -25.567 -14.538 2.331 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.679 -17.160 1.250 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.484 -16.111 -0.641 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.866 -15.126 -0.104 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.210 -14.658 0.349 1.00 20.00 H new ATOM 563 N LYS A 28 -22.870 -16.195 2.591 1.00 20.00 N ATOM 564 CA LYS A 28 -21.560 -16.649 3.040 1.00 20.00 C ATOM 565 C LYS A 28 -21.692 -17.832 3.989 1.00 20.00 C ATOM 566 O LYS A 28 -20.986 -18.831 3.851 1.00 20.00 O ATOM 567 CB LYS A 28 -20.799 -15.518 3.738 1.00 20.00 C ATOM 568 CG LYS A 28 -20.304 -14.424 2.800 1.00 20.00 C ATOM 569 CD LYS A 28 -19.745 -13.236 3.572 1.00 20.00 C ATOM 570 CE LYS A 28 -18.626 -13.640 4.529 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.461 -14.225 3.816 1.00 20.00 N ATOM 0 H LYS A 28 -23.141 -15.278 2.946 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.001 -16.961 2.158 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.448 -15.069 4.490 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -19.945 -15.942 4.266 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.533 -14.828 2.144 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.123 -14.092 2.163 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.368 -12.494 2.869 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.548 -12.762 4.136 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.302 -12.767 5.096 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -19.009 -14.363 5.249 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.700 -14.422 4.497 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.747 -15.110 3.351 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.119 -13.553 3.100 1.00 20.00 H new ATOM 585 N VAL A 29 -22.607 -17.719 4.945 1.00 20.00 N ATOM 586 CA VAL A 29 -22.790 -18.752 5.953 1.00 20.00 C ATOM 587 C VAL A 29 -23.383 -20.026 5.352 1.00 20.00 C ATOM 588 O VAL A 29 -22.706 -21.055 5.272 1.00 20.00 O ATOM 589 CB VAL A 29 -23.674 -18.260 7.122 1.00 20.00 C ATOM 590 CG1 VAL A 29 -23.914 -19.378 8.126 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.035 -17.060 7.804 1.00 20.00 C ATOM 0 H VAL A 29 -23.234 -16.920 5.042 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.799 -18.983 6.345 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.638 -17.955 6.715 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -24.538 -19.009 8.940 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.417 -20.209 7.632 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -22.959 -19.718 8.527 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -23.671 -16.727 8.624 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.057 -17.341 8.194 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.919 -16.251 7.083 1.00 20.00 H new ATOM 601 N ALA A 30 -24.630 -19.956 4.903 1.00 20.00 N ATOM 602 CA ALA A 30 -25.318 -21.140 4.411 1.00 20.00 C ATOM 603 C ALA A 30 -26.605 -20.783 3.684 1.00 20.00 C ATOM 604 O ALA A 30 -27.455 -20.064 4.213 1.00 20.00 O ATOM 605 CB ALA A 30 -25.622 -22.088 5.561 1.00 20.00 C ATOM 0 H ALA A 30 -25.181 -19.098 4.870 1.00 20.00 H new ATOM 0 HA ALA A 30 -24.655 -21.632 3.699 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -26.137 -22.970 5.179 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -24.690 -22.390 6.039 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -26.257 -21.584 6.290 1.00 20.00 H new ATOM 611 N THR A 31 -26.737 -21.287 2.469 1.00 20.00 N ATOM 612 CA THR A 31 -27.965 -21.147 1.711 1.00 20.00 C ATOM 613 C THR A 31 -28.892 -22.318 2.035 1.00 20.00 C ATOM 614 O THR A 31 -30.116 -22.209 1.966 1.00 20.00 O ATOM 615 CB THR A 31 -27.669 -21.108 0.198 1.00 20.00 C ATOM 616 OG1 THR A 31 -26.668 -20.117 -0.071 1.00 20.00 O ATOM 617 CG2 THR A 31 -28.924 -20.792 -0.598 1.00 20.00 C ATOM 0 H THR A 31 -26.001 -21.801 1.984 1.00 20.00 H new ATOM 0 HA THR A 31 -28.449 -20.210 1.987 1.00 20.00 H new ATOM 0 HB THR A 31 -27.309 -22.091 -0.105 1.00 20.00 H new ATOM 0 HG1 THR A 31 -26.480 -20.095 -1.033 1.00 20.00 H new ATOM 0 HG21 THR A 31 -28.685 -20.771 -1.661 1.00 20.00 H new ATOM 0 HG22 THR A 31 -29.676 -21.558 -0.410 1.00 20.00 H new ATOM 0 HG23 THR A 31 -29.312 -19.820 -0.294 1.00 20.00 H new ATOM 625 N SER A 32 -28.283 -23.437 2.400 1.00 20.00 N ATOM 626 CA SER A 32 -29.013 -24.613 2.837 1.00 20.00 C ATOM 627 C SER A 32 -28.323 -25.205 4.062 1.00 20.00 C ATOM 628 O SER A 32 -27.095 -25.306 4.101 1.00 20.00 O ATOM 629 CB SER A 32 -29.092 -25.640 1.702 1.00 20.00 C ATOM 630 OG SER A 32 -29.697 -25.070 0.552 1.00 20.00 O ATOM 0 H SER A 32 -27.270 -23.553 2.401 1.00 20.00 H new ATOM 0 HA SER A 32 -30.032 -24.334 3.106 1.00 20.00 H new ATOM 0 HB2 SER A 32 -28.091 -25.994 1.455 1.00 20.00 H new ATOM 0 HB3 SER A 32 -29.666 -26.507 2.029 1.00 20.00 H new ATOM 0 HG SER A 32 -29.737 -25.740 -0.162 1.00 20.00 H new ATOM 636 N LEU A 33 -29.103 -25.572 5.067 1.00 20.00 N ATOM 637 CA LEU A 33 -28.550 -26.052 6.326 1.00 20.00 C ATOM 638 C LEU A 33 -28.425 -27.569 6.315 1.00 20.00 C ATOM 639 O LEU A 33 -29.220 -28.266 6.951 1.00 20.00 O ATOM 640 CB LEU A 33 -29.418 -25.610 7.517 1.00 20.00 C ATOM 641 CG LEU A 33 -29.486 -24.096 7.797 1.00 20.00 C ATOM 642 CD1 LEU A 33 -28.092 -23.493 7.887 1.00 20.00 C ATOM 643 CD2 LEU A 33 -30.319 -23.370 6.746 1.00 20.00 C ATOM 0 H LEU A 33 -30.122 -25.547 5.036 1.00 20.00 H new ATOM 0 HA LEU A 33 -27.558 -25.615 6.438 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -30.433 -25.972 7.352 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -29.045 -26.106 8.413 1.00 20.00 H new ATOM 0 HG LEU A 33 -29.978 -23.965 8.761 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -28.170 -22.424 8.085 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -27.540 -23.972 8.695 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -27.566 -23.650 6.945 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -30.345 -22.305 6.975 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -29.874 -23.519 5.762 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -31.334 -23.767 6.749 1.00 20.00 H new ATOM 655 N ALA A 34 -27.425 -28.064 5.588 1.00 20.00 N ATOM 656 CA ALA A 34 -27.158 -29.499 5.486 1.00 20.00 C ATOM 657 C ALA A 34 -28.424 -30.268 5.128 1.00 20.00 C ATOM 658 O ALA A 34 -28.924 -31.073 5.917 1.00 20.00 O ATOM 659 CB ALA A 34 -26.561 -30.021 6.785 1.00 20.00 C ATOM 0 H ALA A 34 -26.778 -27.484 5.054 1.00 20.00 H new ATOM 0 HA ALA A 34 -26.435 -29.654 4.685 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -26.368 -31.090 6.693 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -25.626 -29.500 6.991 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -27.261 -29.848 7.603 1.00 20.00 H new ATOM 665 N ASP A 35 -28.940 -30.006 3.940 1.00 20.00 N ATOM 666 CA ASP A 35 -30.198 -30.595 3.506 1.00 20.00 C ATOM 667 C ASP A 35 -29.971 -31.582 2.367 1.00 20.00 C ATOM 668 O ASP A 35 -29.755 -31.187 1.220 1.00 20.00 O ATOM 669 CB ASP A 35 -31.167 -29.498 3.068 1.00 20.00 C ATOM 670 CG ASP A 35 -32.507 -30.046 2.627 1.00 20.00 C ATOM 671 OD1 ASP A 35 -33.402 -30.207 3.485 1.00 20.00 O ATOM 672 OD2 ASP A 35 -32.676 -30.305 1.418 1.00 20.00 O ATOM 0 H ASP A 35 -28.506 -29.387 3.255 1.00 20.00 H new ATOM 0 HA ASP A 35 -30.631 -31.138 4.346 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -31.317 -28.801 3.892 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -30.723 -28.932 2.249 1.00 20.00 H new ATOM 677 N PRO A 36 -29.992 -32.887 2.673 1.00 20.00 N ATOM 678 CA PRO A 36 -29.844 -33.939 1.676 1.00 20.00 C ATOM 679 C PRO A 36 -31.186 -34.381 1.095 1.00 20.00 C ATOM 680 O PRO A 36 -31.290 -35.438 0.471 1.00 20.00 O ATOM 681 CB PRO A 36 -29.215 -35.065 2.488 1.00 20.00 C ATOM 682 CG PRO A 36 -29.811 -34.917 3.849 1.00 20.00 C ATOM 683 CD PRO A 36 -30.132 -33.448 4.029 1.00 20.00 C ATOM 0 HA PRO A 36 -29.259 -33.623 0.813 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -29.443 -36.040 2.058 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -28.129 -34.975 2.518 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -30.711 -35.524 3.945 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -29.114 -35.257 4.615 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -31.140 -33.304 4.419 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -29.447 -32.972 4.731 1.00 20.00 H new ATOM 691 N ARG A 37 -32.204 -33.560 1.293 1.00 20.00 N ATOM 692 CA ARG A 37 -33.549 -33.874 0.835 1.00 20.00 C ATOM 693 C ARG A 37 -33.672 -33.614 -0.665 1.00 20.00 C ATOM 694 O ARG A 37 -33.156 -32.615 -1.168 1.00 20.00 O ATOM 695 CB ARG A 37 -34.570 -33.022 1.596 1.00 20.00 C ATOM 696 CG ARG A 37 -36.015 -33.318 1.230 1.00 20.00 C ATOM 697 CD ARG A 37 -36.967 -32.301 1.839 1.00 20.00 C ATOM 698 NE ARG A 37 -36.916 -32.293 3.300 1.00 20.00 N ATOM 699 CZ ARG A 37 -37.593 -31.429 4.058 1.00 20.00 C ATOM 700 NH1 ARG A 37 -38.352 -30.497 3.493 1.00 20.00 N ATOM 701 NH2 ARG A 37 -37.506 -31.494 5.379 1.00 20.00 N ATOM 0 H ARG A 37 -32.124 -32.663 1.772 1.00 20.00 H new ATOM 0 HA ARG A 37 -33.748 -34.929 1.026 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -34.437 -33.182 2.666 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -34.365 -31.969 1.403 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -36.124 -33.315 0.145 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -36.281 -34.317 1.574 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -36.721 -31.307 1.464 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -37.984 -32.521 1.515 1.00 20.00 H new ATOM 0 HE ARG A 37 -36.330 -32.986 3.765 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -38.418 -30.440 2.477 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -38.868 -29.838 4.075 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -36.921 -32.205 5.817 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -38.024 -30.833 5.957 1.00 20.00 H new ATOM 715 N PRO A 38 -34.329 -34.518 -1.408 1.00 20.00 N ATOM 716 CA PRO A 38 -34.591 -34.316 -2.833 1.00 20.00 C ATOM 717 C PRO A 38 -35.580 -33.175 -3.069 1.00 20.00 C ATOM 718 O PRO A 38 -36.775 -33.302 -2.784 1.00 20.00 O ATOM 719 CB PRO A 38 -35.185 -35.653 -3.289 1.00 20.00 C ATOM 720 CG PRO A 38 -35.739 -36.269 -2.051 1.00 20.00 C ATOM 721 CD PRO A 38 -34.851 -35.812 -0.926 1.00 20.00 C ATOM 0 HA PRO A 38 -33.691 -34.038 -3.382 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -35.963 -35.505 -4.038 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -34.424 -36.290 -3.741 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -36.770 -35.955 -1.887 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -35.745 -37.356 -2.126 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -35.407 -35.700 0.005 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -34.048 -36.523 -0.734 1.00 20.00 H new ATOM 729 N ALA A 39 -35.077 -32.061 -3.579 1.00 20.00 N ATOM 730 CA ALA A 39 -35.895 -30.872 -3.795 1.00 20.00 C ATOM 731 C ALA A 39 -36.860 -31.071 -4.955 1.00 20.00 C ATOM 732 O ALA A 39 -36.459 -31.508 -6.035 1.00 20.00 O ATOM 733 CB ALA A 39 -35.010 -29.665 -4.058 1.00 20.00 C ATOM 0 H ALA A 39 -34.100 -31.953 -3.853 1.00 20.00 H new ATOM 0 HA ALA A 39 -36.479 -30.698 -2.891 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -35.633 -28.785 -4.217 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -34.358 -29.498 -3.200 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -34.403 -29.845 -4.945 1.00 20.00 H new ATOM 739 N ILE A 40 -38.126 -30.751 -4.728 1.00 20.00 N ATOM 740 CA ILE A 40 -39.135 -30.864 -5.773 1.00 20.00 C ATOM 741 C ILE A 40 -38.978 -29.755 -6.810 1.00 20.00 C ATOM 742 O ILE A 40 -39.005 -28.572 -6.481 1.00 20.00 O ATOM 743 CB ILE A 40 -40.584 -30.880 -5.214 1.00 20.00 C ATOM 744 CG1 ILE A 40 -40.710 -30.120 -3.884 1.00 20.00 C ATOM 745 CG2 ILE A 40 -41.060 -32.313 -5.053 1.00 20.00 C ATOM 746 CD1 ILE A 40 -40.699 -28.614 -4.023 1.00 20.00 C ATOM 0 H ILE A 40 -38.479 -30.412 -3.833 1.00 20.00 H new ATOM 0 HA ILE A 40 -38.968 -31.827 -6.256 1.00 20.00 H new ATOM 0 HB ILE A 40 -41.217 -30.363 -5.935 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -41.636 -30.421 -3.394 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -39.891 -30.419 -3.230 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -42.077 -32.317 -4.661 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -41.043 -32.813 -6.021 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -40.402 -32.839 -4.361 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -40.792 -28.157 -3.038 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -39.763 -28.298 -4.483 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -41.534 -28.300 -4.649 1.00 20.00 H new ATOM 758 N PRO A 41 -38.767 -30.143 -8.079 1.00 20.00 N ATOM 759 CA PRO A 41 -38.614 -29.196 -9.188 1.00 20.00 C ATOM 760 C PRO A 41 -39.774 -28.206 -9.283 1.00 20.00 C ATOM 761 O PRO A 41 -40.917 -28.550 -9.001 1.00 20.00 O ATOM 762 CB PRO A 41 -38.599 -30.090 -10.430 1.00 20.00 C ATOM 763 CG PRO A 41 -38.164 -31.429 -9.946 1.00 20.00 C ATOM 764 CD PRO A 41 -38.639 -31.543 -8.525 1.00 20.00 C ATOM 0 HA PRO A 41 -37.719 -28.586 -9.065 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -39.586 -30.140 -10.890 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -37.914 -29.703 -11.185 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -38.589 -32.221 -10.562 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -37.080 -31.529 -10.002 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -39.591 -32.070 -8.463 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -37.928 -32.095 -7.910 1.00 20.00 H new ATOM 772 N HIS A 42 -39.462 -26.975 -9.672 1.00 20.00 N ATOM 773 CA HIS A 42 -40.481 -25.951 -9.904 1.00 20.00 C ATOM 774 C HIS A 42 -40.918 -25.973 -11.366 1.00 20.00 C ATOM 775 O HIS A 42 -41.718 -25.146 -11.807 1.00 20.00 O ATOM 776 CB HIS A 42 -39.970 -24.551 -9.521 1.00 20.00 C ATOM 777 CG HIS A 42 -38.768 -24.092 -10.297 1.00 20.00 C ATOM 778 ND1 HIS A 42 -38.858 -23.336 -11.446 1.00 20.00 N ATOM 779 CD2 HIS A 42 -37.443 -24.281 -10.080 1.00 20.00 C ATOM 780 CE1 HIS A 42 -37.645 -23.085 -11.903 1.00 20.00 C ATOM 781 NE2 HIS A 42 -36.769 -23.646 -11.093 1.00 20.00 N ATOM 0 H HIS A 42 -38.506 -26.658 -9.835 1.00 20.00 H new ATOM 0 HA HIS A 42 -41.337 -26.177 -9.269 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -40.776 -23.832 -9.666 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -39.725 -24.546 -8.459 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -37.000 -24.829 -9.262 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -37.410 -22.516 -12.790 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -35.755 -23.613 -11.202 1.00 20.00 H new ATOM 790 N ASP A 43 -40.351 -26.921 -12.105 1.00 20.00 N ATOM 791 CA ASP A 43 -40.536 -27.036 -13.553 1.00 20.00 C ATOM 792 C ASP A 43 -42.010 -27.020 -13.970 1.00 20.00 C ATOM 793 O ASP A 43 -42.379 -26.317 -14.914 1.00 20.00 O ATOM 794 CB ASP A 43 -39.860 -28.316 -14.057 1.00 20.00 C ATOM 795 CG ASP A 43 -39.980 -28.502 -15.557 1.00 20.00 C ATOM 796 OD1 ASP A 43 -40.988 -29.079 -16.009 1.00 20.00 O ATOM 797 OD2 ASP A 43 -39.051 -28.096 -16.289 1.00 20.00 O ATOM 0 H ASP A 43 -39.743 -27.640 -11.714 1.00 20.00 H new ATOM 0 HA ASP A 43 -40.073 -26.161 -14.008 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -38.805 -28.295 -13.783 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -40.303 -29.176 -13.554 1.00 20.00 H new ATOM 802 N GLU A 44 -42.853 -27.772 -13.271 1.00 20.00 N ATOM 803 CA GLU A 44 -44.261 -27.860 -13.646 1.00 20.00 C ATOM 804 C GLU A 44 -45.061 -26.737 -12.991 1.00 20.00 C ATOM 805 O GLU A 44 -46.125 -26.357 -13.479 1.00 20.00 O ATOM 806 CB GLU A 44 -44.862 -29.232 -13.296 1.00 20.00 C ATOM 807 CG GLU A 44 -45.114 -29.465 -11.812 1.00 20.00 C ATOM 808 CD GLU A 44 -43.840 -29.552 -11.004 1.00 20.00 C ATOM 809 OE1 GLU A 44 -43.308 -28.495 -10.611 1.00 20.00 O ATOM 810 OE2 GLU A 44 -43.370 -30.679 -10.757 1.00 20.00 O ATOM 0 H GLU A 44 -42.592 -28.323 -12.453 1.00 20.00 H new ATOM 0 HA GLU A 44 -44.320 -27.746 -14.728 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -45.805 -29.346 -13.831 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -44.191 -30.010 -13.662 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -45.731 -28.655 -11.422 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -45.682 -30.387 -11.686 1.00 20.00 H new ATOM 817 N VAL A 45 -44.539 -26.204 -11.892 1.00 20.00 N ATOM 818 CA VAL A 45 -45.132 -25.033 -11.259 1.00 20.00 C ATOM 819 C VAL A 45 -45.088 -23.857 -12.225 1.00 20.00 C ATOM 820 O VAL A 45 -46.022 -23.060 -12.303 1.00 20.00 O ATOM 821 CB VAL A 45 -44.407 -24.661 -9.948 1.00 20.00 C ATOM 822 CG1 VAL A 45 -44.981 -23.388 -9.346 1.00 20.00 C ATOM 823 CG2 VAL A 45 -44.493 -25.805 -8.952 1.00 20.00 C ATOM 0 H VAL A 45 -43.708 -26.564 -11.422 1.00 20.00 H new ATOM 0 HA VAL A 45 -46.165 -25.272 -11.008 1.00 20.00 H new ATOM 0 HB VAL A 45 -43.358 -24.479 -10.183 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -44.451 -23.151 -8.424 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -44.865 -22.567 -10.053 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -46.039 -23.533 -9.129 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -43.977 -25.527 -8.033 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -45.539 -26.017 -8.731 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -44.025 -26.693 -9.377 1.00 20.00 H new ATOM 833 N GLU A 46 -43.999 -23.786 -12.982 1.00 20.00 N ATOM 834 CA GLU A 46 -43.844 -22.792 -14.038 1.00 20.00 C ATOM 835 C GLU A 46 -44.992 -22.902 -15.042 1.00 20.00 C ATOM 836 O GLU A 46 -45.510 -21.897 -15.531 1.00 20.00 O ATOM 837 CB GLU A 46 -42.504 -22.993 -14.756 1.00 20.00 C ATOM 838 CG GLU A 46 -42.197 -21.931 -15.801 1.00 20.00 C ATOM 839 CD GLU A 46 -41.841 -20.593 -15.190 1.00 20.00 C ATOM 840 OE1 GLU A 46 -42.759 -19.798 -14.894 1.00 20.00 O ATOM 841 OE2 GLU A 46 -40.635 -20.322 -15.015 1.00 20.00 O ATOM 0 H GLU A 46 -43.201 -24.413 -12.882 1.00 20.00 H new ATOM 0 HA GLU A 46 -43.863 -21.799 -13.588 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -41.704 -23.001 -14.015 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -42.504 -23.971 -15.236 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -41.371 -22.271 -16.426 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -43.062 -21.809 -16.453 1.00 20.00 H new ATOM 848 N ARG A 47 -45.396 -24.132 -15.324 1.00 20.00 N ATOM 849 CA ARG A 47 -46.480 -24.386 -16.262 1.00 20.00 C ATOM 850 C ARG A 47 -47.817 -24.041 -15.618 1.00 20.00 C ATOM 851 O ARG A 47 -48.706 -23.491 -16.265 1.00 20.00 O ATOM 852 CB ARG A 47 -46.468 -25.849 -16.709 1.00 20.00 C ATOM 853 CG ARG A 47 -45.122 -26.311 -17.247 1.00 20.00 C ATOM 854 CD ARG A 47 -44.667 -25.479 -18.437 1.00 20.00 C ATOM 855 NE ARG A 47 -43.340 -25.876 -18.899 1.00 20.00 N ATOM 856 CZ ARG A 47 -42.673 -25.259 -19.871 1.00 20.00 C ATOM 857 NH1 ARG A 47 -43.220 -24.238 -20.516 1.00 20.00 N ATOM 858 NH2 ARG A 47 -41.457 -25.668 -20.200 1.00 20.00 N ATOM 0 H ARG A 47 -44.988 -24.973 -14.915 1.00 20.00 H new ATOM 0 HA ARG A 47 -46.338 -23.756 -17.140 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -46.749 -26.480 -15.866 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -47.226 -25.991 -17.479 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -44.375 -26.250 -16.455 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -45.190 -27.358 -17.542 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -45.383 -25.587 -19.252 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -44.656 -24.425 -18.161 1.00 20.00 H new ATOM 0 HE ARG A 47 -42.897 -26.676 -18.448 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -44.157 -23.921 -20.268 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -42.703 -23.769 -21.260 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -41.033 -26.455 -19.708 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -40.944 -25.196 -20.945 1.00 20.00 H new ATOM 872 N ARG A 48 -47.942 -24.357 -14.332 1.00 20.00 N ATOM 873 CA ARG A 48 -49.122 -23.993 -13.554 1.00 20.00 C ATOM 874 C ARG A 48 -49.318 -22.480 -13.570 1.00 20.00 C ATOM 875 O ARG A 48 -50.439 -21.985 -13.710 1.00 20.00 O ATOM 876 CB ARG A 48 -48.976 -24.490 -12.113 1.00 20.00 C ATOM 877 CG ARG A 48 -50.125 -24.092 -11.198 1.00 20.00 C ATOM 878 CD ARG A 48 -49.873 -24.535 -9.764 1.00 20.00 C ATOM 879 NE ARG A 48 -49.723 -25.986 -9.660 1.00 20.00 N ATOM 880 CZ ARG A 48 -49.097 -26.605 -8.658 1.00 20.00 C ATOM 881 NH1 ARG A 48 -48.556 -25.906 -7.666 1.00 20.00 N ATOM 882 NH2 ARG A 48 -49.025 -27.930 -8.646 1.00 20.00 N ATOM 0 H ARG A 48 -47.235 -24.868 -13.804 1.00 20.00 H new ATOM 0 HA ARG A 48 -49.997 -24.464 -14.002 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -48.893 -25.577 -12.122 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -48.045 -24.102 -11.699 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -50.258 -23.011 -11.228 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -51.052 -24.537 -11.560 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -48.973 -24.049 -9.387 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -50.700 -24.209 -9.133 1.00 20.00 H new ATOM 0 HE ARG A 48 -50.123 -26.562 -10.401 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -48.618 -24.888 -7.667 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -48.079 -26.388 -6.904 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -49.447 -28.471 -9.401 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -48.547 -28.408 -7.882 1.00 20.00 H new ATOM 896 N MET A 49 -48.213 -21.754 -13.435 1.00 20.00 N ATOM 897 CA MET A 49 -48.237 -20.299 -13.474 1.00 20.00 C ATOM 898 C MET A 49 -48.539 -19.802 -14.881 1.00 20.00 C ATOM 899 O MET A 49 -49.163 -18.756 -15.059 1.00 20.00 O ATOM 900 CB MET A 49 -46.903 -19.728 -12.997 1.00 20.00 C ATOM 901 CG MET A 49 -46.587 -20.061 -11.552 1.00 20.00 C ATOM 902 SD MET A 49 -47.861 -19.493 -10.411 1.00 20.00 S ATOM 903 CE MET A 49 -47.194 -20.093 -8.863 1.00 20.00 C ATOM 0 H MET A 49 -47.285 -22.154 -13.297 1.00 20.00 H new ATOM 0 HA MET A 49 -49.027 -19.957 -12.805 1.00 20.00 H new ATOM 0 HB2 MET A 49 -46.105 -20.110 -13.633 1.00 20.00 H new ATOM 0 HB3 MET A 49 -46.916 -18.645 -13.118 1.00 20.00 H new ATOM 0 HG2 MET A 49 -46.469 -21.140 -11.450 1.00 20.00 H new ATOM 0 HG3 MET A 49 -45.634 -19.609 -11.280 1.00 20.00 H new ATOM 0 HE1 MET A 49 -47.866 -19.823 -8.048 1.00 20.00 H new ATOM 0 HE2 MET A 49 -47.093 -21.177 -8.906 1.00 20.00 H new ATOM 0 HE3 MET A 49 -46.216 -19.644 -8.690 1.00 20.00 H new ATOM 913 N ALA A 50 -48.097 -20.562 -15.876 1.00 20.00 N ATOM 914 CA ALA A 50 -48.364 -20.235 -17.268 1.00 20.00 C ATOM 915 C ALA A 50 -49.853 -20.343 -17.566 1.00 20.00 C ATOM 916 O ALA A 50 -50.429 -19.483 -18.236 1.00 20.00 O ATOM 917 CB ALA A 50 -47.571 -21.145 -18.188 1.00 20.00 C ATOM 0 H ALA A 50 -47.550 -21.412 -15.742 1.00 20.00 H new ATOM 0 HA ALA A 50 -48.051 -19.206 -17.446 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -47.782 -20.887 -19.226 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -46.506 -21.021 -17.993 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -47.854 -22.182 -18.007 1.00 20.00 H new ATOM 923 N GLU A 51 -50.470 -21.401 -17.054 1.00 20.00 N ATOM 924 CA GLU A 51 -51.905 -21.601 -17.212 1.00 20.00 C ATOM 925 C GLU A 51 -52.669 -20.561 -16.405 1.00 20.00 C ATOM 926 O GLU A 51 -53.741 -20.107 -16.806 1.00 20.00 O ATOM 927 CB GLU A 51 -52.309 -23.009 -16.765 1.00 20.00 C ATOM 928 CG GLU A 51 -51.629 -24.122 -17.545 1.00 20.00 C ATOM 929 CD GLU A 51 -52.192 -25.486 -17.214 1.00 20.00 C ATOM 930 OE1 GLU A 51 -51.725 -26.112 -16.243 1.00 20.00 O ATOM 931 OE2 GLU A 51 -53.112 -25.938 -17.928 1.00 20.00 O ATOM 0 H GLU A 51 -49.998 -22.135 -16.525 1.00 20.00 H new ATOM 0 HA GLU A 51 -52.153 -21.489 -18.267 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -52.075 -23.125 -15.707 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -53.389 -23.116 -16.866 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -51.742 -23.935 -18.613 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -50.560 -24.111 -17.331 1.00 20.00 H new ATOM 938 N ARG A 52 -52.098 -20.188 -15.266 1.00 20.00 N ATOM 939 CA ARG A 52 -52.664 -19.153 -14.412 1.00 20.00 C ATOM 940 C ARG A 52 -52.671 -17.813 -15.145 1.00 20.00 C ATOM 941 O ARG A 52 -53.630 -17.047 -15.061 1.00 20.00 O ATOM 942 CB ARG A 52 -51.847 -19.057 -13.121 1.00 20.00 C ATOM 943 CG ARG A 52 -52.397 -18.083 -12.094 1.00 20.00 C ATOM 944 CD ARG A 52 -51.521 -18.062 -10.854 1.00 20.00 C ATOM 945 NE ARG A 52 -52.042 -17.172 -9.820 1.00 20.00 N ATOM 946 CZ ARG A 52 -51.332 -16.758 -8.774 1.00 20.00 C ATOM 947 NH1 ARG A 52 -50.064 -17.131 -8.638 1.00 20.00 N ATOM 948 NH2 ARG A 52 -51.884 -15.959 -7.869 1.00 20.00 N ATOM 0 H ARG A 52 -51.232 -20.593 -14.910 1.00 20.00 H new ATOM 0 HA ARG A 52 -53.693 -19.410 -14.162 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -51.790 -20.047 -12.669 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -50.828 -18.762 -13.373 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -52.450 -17.083 -12.525 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -53.414 -18.368 -11.823 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -51.439 -19.072 -10.453 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -50.515 -17.746 -11.129 1.00 20.00 H new ATOM 0 HE ARG A 52 -53.006 -16.849 -9.905 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -49.633 -17.736 -9.337 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -49.522 -16.812 -7.835 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -52.854 -15.662 -7.975 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -51.338 -15.642 -7.068 1.00 20.00 H new ATOM 962 N PHE A 53 -51.596 -17.552 -15.881 1.00 20.00 N ATOM 963 CA PHE A 53 -51.490 -16.349 -16.691 1.00 20.00 C ATOM 964 C PHE A 53 -52.485 -16.404 -17.846 1.00 20.00 C ATOM 965 O PHE A 53 -53.068 -15.392 -18.229 1.00 20.00 O ATOM 966 CB PHE A 53 -50.061 -16.195 -17.225 1.00 20.00 C ATOM 967 CG PHE A 53 -49.840 -14.945 -18.034 1.00 20.00 C ATOM 968 CD1 PHE A 53 -49.552 -13.745 -17.409 1.00 20.00 C ATOM 969 CD2 PHE A 53 -49.919 -14.973 -19.419 1.00 20.00 C ATOM 970 CE1 PHE A 53 -49.346 -12.595 -18.147 1.00 20.00 C ATOM 971 CE2 PHE A 53 -49.715 -13.826 -20.162 1.00 20.00 C ATOM 972 CZ PHE A 53 -49.428 -12.634 -19.525 1.00 20.00 C ATOM 0 H PHE A 53 -50.781 -18.164 -15.932 1.00 20.00 H new ATOM 0 HA PHE A 53 -51.724 -15.485 -16.070 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -49.368 -16.198 -16.384 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -49.819 -17.061 -17.841 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -49.487 -13.706 -16.332 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -50.143 -15.902 -19.922 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -49.121 -11.665 -17.646 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -49.780 -13.861 -21.239 1.00 20.00 H new ATOM 0 HZ PHE A 53 -49.268 -11.736 -20.103 1.00 20.00 H new ATOM 982 N ALA A 54 -52.685 -17.603 -18.382 1.00 20.00 N ATOM 983 CA ALA A 54 -53.621 -17.812 -19.479 1.00 20.00 C ATOM 984 C ALA A 54 -55.041 -17.442 -19.064 1.00 20.00 C ATOM 985 O ALA A 54 -55.819 -16.920 -19.863 1.00 20.00 O ATOM 986 CB ALA A 54 -53.566 -19.257 -19.948 1.00 20.00 C ATOM 0 H ALA A 54 -52.208 -18.449 -18.072 1.00 20.00 H new ATOM 0 HA ALA A 54 -53.330 -17.162 -20.304 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -54.270 -19.400 -20.768 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -52.558 -19.490 -20.290 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -53.831 -19.918 -19.123 1.00 20.00 H new ATOM 992 N LYS A 55 -55.367 -17.704 -17.805 1.00 20.00 N ATOM 993 CA LYS A 55 -56.678 -17.374 -17.261 1.00 20.00 C ATOM 994 C LYS A 55 -56.844 -15.862 -17.130 1.00 20.00 C ATOM 995 O LYS A 55 -57.961 -15.348 -17.116 1.00 20.00 O ATOM 996 CB LYS A 55 -56.869 -18.041 -15.897 1.00 20.00 C ATOM 997 CG LYS A 55 -56.799 -19.564 -15.938 1.00 20.00 C ATOM 998 CD LYS A 55 -58.016 -20.179 -16.613 1.00 20.00 C ATOM 999 CE LYS A 55 -59.278 -19.976 -15.789 1.00 20.00 C ATOM 1000 NZ LYS A 55 -60.445 -20.689 -16.370 1.00 20.00 N ATOM 0 H LYS A 55 -54.736 -18.147 -17.137 1.00 20.00 H new ATOM 0 HA LYS A 55 -57.437 -17.748 -17.949 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -56.106 -17.670 -15.212 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -57.835 -17.742 -15.490 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -55.898 -19.870 -16.469 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -56.716 -19.949 -14.922 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -58.149 -19.734 -17.599 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -57.848 -21.245 -16.765 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -59.107 -20.329 -14.772 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -59.500 -18.911 -15.723 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -61.283 -20.524 -15.777 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -60.625 -20.334 -17.331 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -60.244 -21.709 -16.409 1.00 20.00 H new ATOM 1014 N MET A 56 -55.724 -15.158 -17.035 1.00 20.00 N ATOM 1015 CA MET A 56 -55.732 -13.703 -16.932 1.00 20.00 C ATOM 1016 C MET A 56 -55.778 -13.073 -18.319 1.00 20.00 C ATOM 1017 O MET A 56 -56.194 -11.927 -18.484 1.00 20.00 O ATOM 1018 CB MET A 56 -54.497 -13.215 -16.171 1.00 20.00 C ATOM 1019 CG MET A 56 -54.426 -13.726 -14.740 1.00 20.00 C ATOM 1020 SD MET A 56 -55.799 -13.150 -13.725 1.00 20.00 S ATOM 1021 CE MET A 56 -55.474 -11.388 -13.689 1.00 20.00 C ATOM 0 H MET A 56 -54.792 -15.573 -17.027 1.00 20.00 H new ATOM 0 HA MET A 56 -56.623 -13.401 -16.381 1.00 20.00 H new ATOM 0 HB2 MET A 56 -53.602 -13.531 -16.706 1.00 20.00 H new ATOM 0 HB3 MET A 56 -54.494 -12.125 -16.160 1.00 20.00 H new ATOM 0 HG2 MET A 56 -54.418 -14.816 -14.748 1.00 20.00 H new ATOM 0 HG3 MET A 56 -53.487 -13.404 -14.290 1.00 20.00 H new ATOM 0 HE1 MET A 56 -56.009 -10.936 -12.853 1.00 20.00 H new ATOM 0 HE2 MET A 56 -54.404 -11.218 -13.570 1.00 20.00 H new ATOM 0 HE3 MET A 56 -55.811 -10.937 -14.622 1.00 20.00 H new ATOM 1031 N ARG A 57 -55.353 -13.843 -19.314 1.00 20.00 N ATOM 1032 CA ARG A 57 -55.378 -13.402 -20.707 1.00 20.00 C ATOM 1033 C ARG A 57 -56.800 -13.485 -21.260 1.00 20.00 C ATOM 1034 O ARG A 57 -57.101 -12.936 -22.320 1.00 20.00 O ATOM 1035 CB ARG A 57 -54.428 -14.270 -21.545 1.00 20.00 C ATOM 1036 CG ARG A 57 -54.375 -13.905 -23.026 1.00 20.00 C ATOM 1037 CD ARG A 57 -53.470 -14.855 -23.795 1.00 20.00 C ATOM 1038 NE ARG A 57 -53.460 -14.584 -25.233 1.00 20.00 N ATOM 1039 CZ ARG A 57 -53.314 -15.528 -26.168 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -53.196 -16.805 -25.817 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -53.290 -15.194 -27.452 1.00 20.00 N ATOM 0 H ARG A 57 -54.983 -14.784 -19.182 1.00 20.00 H new ATOM 0 HA ARG A 57 -55.046 -12.365 -20.758 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -53.424 -14.192 -21.129 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -54.732 -15.313 -21.452 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -55.380 -13.936 -23.447 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -54.013 -12.883 -23.139 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -52.454 -14.777 -23.407 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -53.798 -15.881 -23.625 1.00 20.00 H new ATOM 0 HE ARG A 57 -53.571 -13.618 -25.540 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -53.217 -17.067 -24.831 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -53.085 -17.523 -26.533 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -53.383 -14.216 -27.726 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -53.179 -15.915 -28.165 1.00 20.00 H new ATOM 1055 N LYS A 58 -57.669 -14.173 -20.528 1.00 20.00 N ATOM 1056 CA LYS A 58 -59.055 -14.349 -20.941 1.00 20.00 C ATOM 1057 C LYS A 58 -59.796 -13.017 -20.964 1.00 20.00 C ATOM 1058 O LYS A 58 -60.071 -12.422 -19.918 1.00 20.00 O ATOM 1059 CB LYS A 58 -59.772 -15.332 -20.010 1.00 20.00 C ATOM 1060 CG LYS A 58 -59.202 -16.746 -20.049 1.00 20.00 C ATOM 1061 CD LYS A 58 -59.370 -17.392 -21.419 1.00 20.00 C ATOM 1062 CE LYS A 58 -60.835 -17.625 -21.759 1.00 20.00 C ATOM 1063 NZ LYS A 58 -61.011 -18.146 -23.139 1.00 20.00 N ATOM 0 H LYS A 58 -57.436 -14.620 -19.641 1.00 20.00 H new ATOM 0 HA LYS A 58 -59.052 -14.756 -21.952 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -59.716 -14.956 -18.988 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -60.828 -15.369 -20.279 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -58.144 -16.718 -19.789 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -59.699 -17.358 -19.296 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -58.917 -16.755 -22.179 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -58.836 -18.342 -21.441 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -61.264 -18.331 -21.048 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -61.385 -16.690 -21.652 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -62.023 -18.290 -23.329 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -60.625 -17.462 -23.820 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -60.508 -19.051 -23.235 1.00 20.00 H new ATOM 1077 N GLU A 59 -60.120 -12.557 -22.165 1.00 20.00 N ATOM 1078 CA GLU A 59 -60.829 -11.301 -22.340 1.00 20.00 C ATOM 1079 C GLU A 59 -62.329 -11.541 -22.430 1.00 20.00 C ATOM 1080 O GLU A 59 -62.877 -11.736 -23.518 1.00 20.00 O ATOM 1081 CB GLU A 59 -60.348 -10.570 -23.597 1.00 20.00 C ATOM 1082 CG GLU A 59 -58.914 -10.075 -23.516 1.00 20.00 C ATOM 1083 CD GLU A 59 -58.507 -9.281 -24.740 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -58.802 -8.072 -24.793 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -57.899 -9.867 -25.663 1.00 20.00 O ATOM 0 H GLU A 59 -59.900 -13.040 -23.036 1.00 20.00 H new ATOM 0 HA GLU A 59 -60.619 -10.677 -21.471 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -60.442 -11.239 -24.452 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -61.004 -9.720 -23.784 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -58.797 -9.454 -22.628 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -58.244 -10.927 -23.400 1.00 20.00 H new ATOM 1092 N ARG A 60 -62.992 -11.535 -21.282 1.00 20.00 N ATOM 1093 CA ARG A 60 -64.440 -11.698 -21.234 1.00 20.00 C ATOM 1094 C ARG A 60 -65.114 -10.331 -21.207 1.00 20.00 C ATOM 1095 O ARG A 60 -66.329 -10.216 -21.041 1.00 20.00 O ATOM 1096 CB ARG A 60 -64.851 -12.532 -20.016 1.00 20.00 C ATOM 1097 CG ARG A 60 -64.351 -11.982 -18.690 1.00 20.00 C ATOM 1098 CD ARG A 60 -64.708 -12.901 -17.532 1.00 20.00 C ATOM 1099 NE ARG A 60 -64.183 -14.252 -17.729 1.00 20.00 N ATOM 1100 CZ ARG A 60 -63.204 -14.792 -17.003 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -62.607 -14.092 -16.046 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -62.816 -16.038 -17.241 1.00 20.00 N ATOM 0 H ARG A 60 -62.550 -11.419 -20.370 1.00 20.00 H new ATOM 0 HA ARG A 60 -64.764 -12.230 -22.128 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -65.939 -12.596 -19.983 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -64.475 -13.548 -20.141 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -63.269 -11.854 -18.733 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -64.782 -10.996 -18.519 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -64.311 -12.488 -16.605 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -65.792 -12.944 -17.423 1.00 20.00 H new ATOM 0 HE ARG A 60 -64.593 -14.819 -18.471 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -62.896 -13.132 -15.860 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -61.859 -14.515 -15.496 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -63.266 -16.580 -17.978 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -62.067 -16.454 -16.687 1.00 20.00 H new ATOM 1116 N SER A 61 -64.302 -9.301 -21.371 1.00 20.00 N ATOM 1117 CA SER A 61 -64.778 -7.937 -21.456 1.00 20.00 C ATOM 1118 C SER A 61 -63.967 -7.206 -22.520 1.00 20.00 C ATOM 1119 O SER A 61 -62.775 -7.480 -22.684 1.00 20.00 O ATOM 1120 CB SER A 61 -64.641 -7.236 -20.097 1.00 20.00 C ATOM 1121 OG SER A 61 -65.244 -5.953 -20.115 1.00 20.00 O ATOM 0 H SER A 61 -63.289 -9.391 -21.449 1.00 20.00 H new ATOM 0 HA SER A 61 -65.833 -7.930 -21.729 1.00 20.00 H new ATOM 0 HB2 SER A 61 -65.104 -7.847 -19.322 1.00 20.00 H new ATOM 0 HB3 SER A 61 -63.586 -7.141 -19.840 1.00 20.00 H new ATOM 0 HG SER A 61 -65.143 -5.532 -19.236 1.00 20.00 H new ATOM 1127 N LYS A 62 -64.605 -6.302 -23.251 1.00 20.00 N ATOM 1128 CA LYS A 62 -63.937 -5.588 -24.330 1.00 20.00 C ATOM 1129 C LYS A 62 -63.028 -4.485 -23.785 1.00 20.00 C ATOM 1130 O LYS A 62 -63.395 -3.311 -23.748 1.00 20.00 O ATOM 1131 CB LYS A 62 -64.968 -5.022 -25.317 1.00 20.00 C ATOM 1132 CG LYS A 62 -66.066 -4.186 -24.666 1.00 20.00 C ATOM 1133 CD LYS A 62 -67.126 -3.751 -25.673 1.00 20.00 C ATOM 1134 CE LYS A 62 -68.191 -4.823 -25.903 1.00 20.00 C ATOM 1135 NZ LYS A 62 -67.645 -6.064 -26.518 1.00 20.00 N ATOM 0 H LYS A 62 -65.583 -6.046 -23.117 1.00 20.00 H new ATOM 0 HA LYS A 62 -63.304 -6.295 -24.866 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -64.450 -4.409 -26.054 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -65.429 -5.849 -25.857 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -66.537 -4.763 -23.870 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -65.624 -3.305 -24.202 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -67.605 -2.838 -25.320 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -66.645 -3.512 -26.621 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -68.659 -5.072 -24.951 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -68.972 -4.419 -26.547 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -68.403 -6.561 -27.028 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -66.885 -5.816 -27.183 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -67.265 -6.683 -25.773 1.00 20.00 H new ATOM 1149 N GLN A 63 -61.842 -4.879 -23.345 1.00 20.00 N ATOM 1150 CA GLN A 63 -60.871 -3.934 -22.818 1.00 20.00 C ATOM 1151 C GLN A 63 -60.094 -3.271 -23.953 1.00 20.00 C ATOM 1152 O GLN A 63 -60.451 -2.136 -24.326 1.00 20.00 O ATOM 1153 CB GLN A 63 -59.916 -4.623 -21.833 1.00 20.00 C ATOM 1154 CG GLN A 63 -59.324 -5.928 -22.339 1.00 20.00 C ATOM 1155 CD GLN A 63 -58.230 -6.454 -21.436 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -58.491 -7.193 -20.489 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -56.996 -6.074 -21.716 1.00 20.00 N ATOM 1158 OXT GLN A 63 -59.147 -3.885 -24.486 1.00 20.00 O ATOM 0 H GLN A 63 -61.529 -5.850 -23.343 1.00 20.00 H new ATOM 0 HA GLN A 63 -61.412 -3.158 -22.276 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -59.103 -3.938 -21.595 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -60.451 -4.817 -20.903 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -60.114 -6.675 -22.421 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -58.923 -5.777 -23.341 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -56.820 -5.460 -22.511 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -56.220 -6.395 -21.137 1.00 20.00 H new TER 1167 GLN A 63