USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 426 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 25 TYR OH : rot 180:sc= -1.04 USER MOD Set 1.2: A 29 THR OG1 : rot 150:sc= 1.09 USER MOD Set 1.3: A 31 THR OG1 : rot 61:sc= 1.05 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -160:sc= -0.0756 (180deg=-0.482) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 1.16 K(o=1.2,f=-8!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0775) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -170:sc= -2.01! USER MOD Single : A 42 THR OG1 : rot -110:sc= 0 USER MOD Single : A 43 THR OG1 : rot 70:sc= -0.377 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -5.95! K(o=-6!,f=-0.49) USER MOD Single : A 48 LYS NZ :NH3+ 132:sc= 1.04 (180deg=0.625) USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 0.597 (180deg=0.553) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= 0.455 K(o=0.46,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 11.566 6.304 7.885 1.00 0.00 N ATOM 2 CA ARG A 1 10.727 5.117 8.190 1.00 0.00 C ATOM 3 C ARG A 1 11.096 3.924 7.314 1.00 0.00 C ATOM 4 O ARG A 1 11.268 2.816 7.819 1.00 0.00 O ATOM 5 CB ARG A 1 9.258 5.472 7.975 1.00 0.00 C ATOM 6 CG ARG A 1 8.590 6.189 9.141 1.00 0.00 C ATOM 7 CD ARG A 1 8.193 5.216 10.237 1.00 0.00 C ATOM 8 NE ARG A 1 7.187 4.242 9.790 1.00 0.00 N ATOM 9 CZ ARG A 1 6.815 3.190 10.518 1.00 0.00 C ATOM 10 NH1 ARG A 1 7.377 2.968 11.698 1.00 0.00 N ATOM 11 NH2 ARG A 1 5.885 2.363 10.070 1.00 0.00 N ATOM 0 H1 ARG A 1 11.286 7.094 8.500 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.567 6.074 8.051 1.00 0.00 H new ATOM 0 H3 ARG A 1 11.434 6.576 6.890 1.00 0.00 H new ATOM 0 HA ARG A 1 10.902 4.835 9.228 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.178 6.101 7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 1 8.705 4.556 7.767 1.00 0.00 H new ATOM 0 HG2 ARG A 1 9.270 6.938 9.547 1.00 0.00 H new ATOM 0 HG3 ARG A 1 7.706 6.719 8.786 1.00 0.00 H new ATOM 0 HD2 ARG A 1 9.079 4.684 10.584 1.00 0.00 H new ATOM 0 HD3 ARG A 1 7.801 5.773 11.088 1.00 0.00 H new ATOM 0 HE ARG A 1 6.752 4.378 8.877 1.00 0.00 H new ATOM 0 HH11 ARG A 1 8.094 3.603 12.049 1.00 0.00 H new ATOM 0 HH12 ARG A 1 7.092 2.163 12.255 1.00 0.00 H new ATOM 0 HH21 ARG A 1 5.449 2.529 9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 1 5.604 1.559 10.631 1.00 0.00 H new ATOM 27 N ILE A 2 11.175 4.170 5.998 1.00 0.00 N ATOM 28 CA ILE A 2 11.489 3.141 4.978 1.00 0.00 C ATOM 29 C ILE A 2 10.742 1.808 5.231 1.00 0.00 C ATOM 30 O ILE A 2 11.341 0.736 5.323 1.00 0.00 O ATOM 31 CB ILE A 2 13.032 2.910 4.811 1.00 0.00 C ATOM 32 CG1 ILE A 2 13.313 1.956 3.643 1.00 0.00 C ATOM 33 CG2 ILE A 2 13.670 2.397 6.096 1.00 0.00 C ATOM 34 CD1 ILE A 2 14.785 1.651 3.447 1.00 0.00 C ATOM 0 H ILE A 2 11.022 5.097 5.601 1.00 0.00 H new ATOM 0 HA ILE A 2 11.122 3.539 4.032 1.00 0.00 H new ATOM 0 HB ILE A 2 13.486 3.875 4.587 1.00 0.00 H new ATOM 0 HG12 ILE A 2 12.777 1.022 3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 2 12.916 2.391 2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 2 14.738 2.250 5.938 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.518 3.124 6.893 1.00 0.00 H new ATOM 0 HG23 ILE A 2 13.211 1.449 6.377 1.00 0.00 H new ATOM 0 HD11 ILE A 2 14.907 0.971 2.604 1.00 0.00 H new ATOM 0 HD12 ILE A 2 15.325 2.577 3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 2 15.183 1.186 4.349 1.00 0.00 H new ATOM 46 N PRO A 3 9.401 1.858 5.356 1.00 0.00 N ATOM 47 CA PRO A 3 8.576 0.684 5.599 1.00 0.00 C ATOM 48 C PRO A 3 8.012 0.126 4.299 1.00 0.00 C ATOM 49 O PRO A 3 7.058 -0.650 4.299 1.00 0.00 O ATOM 50 CB PRO A 3 7.441 1.249 6.469 1.00 0.00 C ATOM 51 CG PRO A 3 7.605 2.746 6.433 1.00 0.00 C ATOM 52 CD PRO A 3 8.555 3.040 5.297 1.00 0.00 C ATOM 0 HA PRO A 3 9.126 -0.136 6.061 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.466 0.953 6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.506 0.873 7.490 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.646 3.239 6.275 1.00 0.00 H new ATOM 0 HG3 PRO A 3 8.002 3.117 7.378 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.042 3.137 4.340 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.116 3.961 5.452 1.00 0.00 H new ATOM 60 N VAL A 4 8.606 0.550 3.196 1.00 0.00 N ATOM 61 CA VAL A 4 8.179 0.125 1.873 1.00 0.00 C ATOM 62 C VAL A 4 9.339 -0.537 1.142 1.00 0.00 C ATOM 63 O VAL A 4 10.465 -0.038 1.171 1.00 0.00 O ATOM 64 CB VAL A 4 7.674 1.336 1.030 1.00 0.00 C ATOM 65 CG1 VAL A 4 7.175 0.880 -0.328 1.00 0.00 C ATOM 66 CG2 VAL A 4 6.576 2.117 1.750 1.00 0.00 C ATOM 0 H VAL A 4 9.395 1.196 3.192 1.00 0.00 H new ATOM 0 HA VAL A 4 7.361 -0.584 1.997 1.00 0.00 H new ATOM 0 HB VAL A 4 8.526 2.002 0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.828 1.743 -0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.986 0.391 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.352 0.178 -0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.254 2.951 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.728 1.460 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.961 2.498 2.696 1.00 0.00 H new ATOM 76 N LYS A 5 9.059 -1.651 0.474 1.00 0.00 N ATOM 77 CA LYS A 5 10.084 -2.357 -0.279 1.00 0.00 C ATOM 78 C LYS A 5 10.280 -1.681 -1.632 1.00 0.00 C ATOM 79 O LYS A 5 11.118 -0.791 -1.771 1.00 0.00 O ATOM 80 CB LYS A 5 9.705 -3.832 -0.457 1.00 0.00 C ATOM 81 CG LYS A 5 10.629 -4.796 0.278 1.00 0.00 C ATOM 82 CD LYS A 5 12.066 -4.701 -0.223 1.00 0.00 C ATOM 83 CE LYS A 5 13.020 -5.520 0.640 1.00 0.00 C ATOM 84 NZ LYS A 5 13.013 -5.067 2.057 1.00 0.00 N ATOM 0 H LYS A 5 8.135 -2.081 0.440 1.00 0.00 H new ATOM 0 HA LYS A 5 11.022 -2.319 0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.685 -3.981 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.713 -4.074 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.602 -4.581 1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.266 -5.816 0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.116 -5.052 -1.254 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.382 -3.658 -0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.739 -6.572 0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.030 -5.442 0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.881 -5.391 2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.968 -4.028 2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.185 -5.465 2.545 1.00 0.00 H new ATOM 98 N TYR A 6 9.492 -2.082 -2.623 1.00 0.00 N ATOM 99 CA TYR A 6 9.581 -1.477 -3.942 1.00 0.00 C ATOM 100 C TYR A 6 8.204 -1.212 -4.538 1.00 0.00 C ATOM 101 O TYR A 6 7.193 -1.225 -3.834 1.00 0.00 O ATOM 102 CB TYR A 6 10.475 -2.268 -4.919 1.00 0.00 C ATOM 103 CG TYR A 6 10.662 -3.751 -4.638 1.00 0.00 C ATOM 104 CD1 TYR A 6 9.615 -4.570 -4.231 1.00 0.00 C ATOM 105 CD2 TYR A 6 11.913 -4.334 -4.814 1.00 0.00 C ATOM 106 CE1 TYR A 6 9.814 -5.917 -4.003 1.00 0.00 C ATOM 107 CE2 TYR A 6 12.117 -5.678 -4.590 1.00 0.00 C ATOM 108 CZ TYR A 6 11.065 -6.467 -4.183 1.00 0.00 C ATOM 109 OH TYR A 6 11.268 -7.807 -3.953 1.00 0.00 O ATOM 0 H TYR A 6 8.790 -2.818 -2.538 1.00 0.00 H new ATOM 0 HA TYR A 6 10.072 -0.515 -3.793 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.058 -2.163 -5.920 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.459 -1.799 -4.933 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.631 -4.146 -4.091 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.742 -3.720 -5.133 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.991 -6.539 -3.684 1.00 0.00 H new ATOM 0 HE2 TYR A 6 13.096 -6.110 -4.733 1.00 0.00 H new ATOM 0 HH TYR A 6 12.206 -8.031 -4.128 1.00 0.00 H new ATOM 119 N GLY A 7 8.189 -0.926 -5.829 1.00 0.00 N ATOM 120 CA GLY A 7 6.968 -0.597 -6.527 1.00 0.00 C ATOM 121 C GLY A 7 7.138 0.710 -7.252 1.00 0.00 C ATOM 122 O GLY A 7 8.219 0.996 -7.773 1.00 0.00 O ATOM 0 H GLY A 7 9.023 -0.917 -6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.718 -1.387 -7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.141 -0.528 -5.821 1.00 0.00 H new ATOM 126 N ASN A 8 6.098 1.515 -7.296 1.00 0.00 N ATOM 127 CA ASN A 8 6.184 2.802 -7.978 1.00 0.00 C ATOM 128 C ASN A 8 6.125 3.965 -6.982 1.00 0.00 C ATOM 129 O ASN A 8 6.083 5.132 -7.382 1.00 0.00 O ATOM 130 CB ASN A 8 5.069 2.930 -9.015 1.00 0.00 C ATOM 131 CG ASN A 8 3.737 3.287 -8.393 1.00 0.00 C ATOM 132 OD1 ASN A 8 3.417 2.846 -7.292 1.00 0.00 O ATOM 133 ND2 ASN A 8 2.928 4.058 -9.101 1.00 0.00 N ATOM 0 H ASN A 8 5.191 1.311 -6.876 1.00 0.00 H new ATOM 0 HA ASN A 8 7.146 2.848 -8.488 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.342 3.693 -9.745 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.972 1.990 -9.558 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.008 4.303 -8.736 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.225 4.408 -10.012 1.00 0.00 H new ATOM 140 N ALA A 9 6.128 3.633 -5.686 1.00 0.00 N ATOM 141 CA ALA A 9 6.083 4.632 -4.614 1.00 0.00 C ATOM 142 C ALA A 9 7.286 5.563 -4.682 1.00 0.00 C ATOM 143 O ALA A 9 8.344 5.185 -5.188 1.00 0.00 O ATOM 144 CB ALA A 9 6.020 3.942 -3.270 1.00 0.00 C ATOM 0 H ALA A 9 6.162 2.670 -5.353 1.00 0.00 H new ATOM 0 HA ALA A 9 5.186 5.238 -4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.987 4.690 -2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.125 3.322 -3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.903 3.316 -3.141 1.00 0.00 H new ATOM 150 N ASP A 10 7.115 6.784 -4.189 1.00 0.00 N ATOM 151 CA ASP A 10 8.181 7.788 -4.217 1.00 0.00 C ATOM 152 C ASP A 10 9.174 7.626 -3.066 1.00 0.00 C ATOM 153 O ASP A 10 9.862 8.578 -2.692 1.00 0.00 O ATOM 154 CB ASP A 10 7.566 9.188 -4.196 1.00 0.00 C ATOM 155 CG ASP A 10 6.787 9.484 -5.457 1.00 0.00 C ATOM 156 OD1 ASP A 10 7.408 9.565 -6.535 1.00 0.00 O ATOM 157 OD2 ASP A 10 5.552 9.613 -5.378 1.00 0.00 O ATOM 0 H ASP A 10 6.246 7.107 -3.763 1.00 0.00 H new ATOM 0 HA ASP A 10 8.745 7.643 -5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.907 9.281 -3.333 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.356 9.929 -4.076 1.00 0.00 H new ATOM 162 N GLY A 11 9.262 6.417 -2.524 1.00 0.00 N ATOM 163 CA GLY A 11 10.193 6.150 -1.442 1.00 0.00 C ATOM 164 C GLY A 11 9.731 6.680 -0.102 1.00 0.00 C ATOM 165 O GLY A 11 10.543 6.878 0.799 1.00 0.00 O ATOM 0 H GLY A 11 8.704 5.614 -2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.348 5.074 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.158 6.594 -1.686 1.00 0.00 H new ATOM 169 N GLU A 12 8.434 6.909 0.039 1.00 0.00 N ATOM 170 CA GLU A 12 7.887 7.420 1.288 1.00 0.00 C ATOM 171 C GLU A 12 7.479 6.274 2.217 1.00 0.00 C ATOM 172 O GLU A 12 7.815 5.112 1.976 1.00 0.00 O ATOM 173 CB GLU A 12 6.691 8.327 1.003 1.00 0.00 C ATOM 174 CG GLU A 12 7.014 9.507 0.096 1.00 0.00 C ATOM 175 CD GLU A 12 7.785 10.595 0.802 1.00 0.00 C ATOM 176 OE1 GLU A 12 8.888 10.318 1.312 1.00 0.00 O ATOM 177 OE2 GLU A 12 7.283 11.732 0.854 1.00 0.00 O ATOM 0 H GLU A 12 7.742 6.750 -0.693 1.00 0.00 H new ATOM 0 HA GLU A 12 8.661 8.001 1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.899 7.735 0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.300 8.704 1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.592 9.155 -0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.086 9.922 -0.296 1.00 0.00 H new ATOM 184 N TYR A 13 6.766 6.614 3.283 1.00 0.00 N ATOM 185 CA TYR A 13 6.313 5.643 4.261 1.00 0.00 C ATOM 186 C TYR A 13 4.873 5.201 3.984 1.00 0.00 C ATOM 187 O TYR A 13 4.140 5.875 3.256 1.00 0.00 O ATOM 188 CB TYR A 13 6.417 6.258 5.650 1.00 0.00 C ATOM 189 CG TYR A 13 5.353 7.275 5.941 1.00 0.00 C ATOM 190 CD1 TYR A 13 5.300 8.466 5.241 1.00 0.00 C ATOM 191 CD2 TYR A 13 4.401 7.032 6.913 1.00 0.00 C ATOM 192 CE1 TYR A 13 4.319 9.401 5.502 1.00 0.00 C ATOM 193 CE2 TYR A 13 3.414 7.958 7.185 1.00 0.00 C ATOM 194 CZ TYR A 13 3.379 9.142 6.477 1.00 0.00 C ATOM 195 OH TYR A 13 2.400 10.066 6.745 1.00 0.00 O ATOM 0 H TYR A 13 6.487 7.573 3.491 1.00 0.00 H new ATOM 0 HA TYR A 13 6.945 4.757 4.196 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.361 5.464 6.394 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.395 6.727 5.757 1.00 0.00 H new ATOM 0 HD1 TYR A 13 6.038 8.668 4.478 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.430 6.105 7.467 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.288 10.327 4.948 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.675 7.757 7.946 1.00 0.00 H new ATOM 0 HH TYR A 13 1.818 9.729 7.458 1.00 0.00 H new ATOM 205 N CYS A 14 4.463 4.083 4.584 1.00 0.00 N ATOM 206 CA CYS A 14 3.101 3.591 4.419 1.00 0.00 C ATOM 207 C CYS A 14 2.147 4.511 5.169 1.00 0.00 C ATOM 208 O CYS A 14 2.248 4.658 6.387 1.00 0.00 O ATOM 209 CB CYS A 14 2.951 2.155 4.929 1.00 0.00 C ATOM 210 SG CYS A 14 3.435 0.858 3.738 1.00 0.00 S ATOM 0 H CYS A 14 5.053 3.506 5.184 1.00 0.00 H new ATOM 0 HA CYS A 14 2.863 3.587 3.355 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.552 2.041 5.831 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.912 1.994 5.216 1.00 0.00 H new ATOM 215 N LYS A 15 1.239 5.138 4.434 1.00 0.00 N ATOM 216 CA LYS A 15 0.279 6.067 5.025 1.00 0.00 C ATOM 217 C LYS A 15 -0.899 5.313 5.623 1.00 0.00 C ATOM 218 O LYS A 15 -1.703 4.722 4.904 1.00 0.00 O ATOM 219 CB LYS A 15 -0.203 7.064 3.970 1.00 0.00 C ATOM 220 CG LYS A 15 -1.009 8.227 4.535 1.00 0.00 C ATOM 221 CD LYS A 15 -1.271 9.289 3.478 1.00 0.00 C ATOM 222 CE LYS A 15 0.024 9.939 3.000 1.00 0.00 C ATOM 223 NZ LYS A 15 -0.219 11.041 2.026 1.00 0.00 N ATOM 0 H LYS A 15 1.145 5.021 3.425 1.00 0.00 H new ATOM 0 HA LYS A 15 0.773 6.616 5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.662 7.460 3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.813 6.535 3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.958 7.858 4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.471 8.671 5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.787 8.839 2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.933 10.053 3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.569 10.330 3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.658 9.182 2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.690 11.451 1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.716 10.665 1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.801 11.777 2.473 1.00 0.00 H new ATOM 237 N PHE A 16 -0.987 5.325 6.943 1.00 0.00 N ATOM 238 CA PHE A 16 -2.060 4.630 7.643 1.00 0.00 C ATOM 239 C PHE A 16 -2.957 5.615 8.381 1.00 0.00 C ATOM 240 O PHE A 16 -2.478 6.425 9.178 1.00 0.00 O ATOM 241 CB PHE A 16 -1.481 3.622 8.640 1.00 0.00 C ATOM 242 CG PHE A 16 -0.665 2.528 8.007 1.00 0.00 C ATOM 243 CD1 PHE A 16 -0.823 2.208 6.671 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.253 1.819 8.756 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.077 1.206 6.093 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.007 0.815 8.187 1.00 0.00 C ATOM 247 CZ PHE A 16 0.844 0.502 6.849 1.00 0.00 C ATOM 0 H PHE A 16 -0.328 5.808 7.554 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.656 4.102 6.899 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.858 4.155 9.358 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.300 3.171 9.201 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.541 2.751 6.074 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.382 2.054 9.802 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.211 0.969 5.048 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.725 0.273 8.785 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.431 -0.285 6.398 1.00 0.00 H new ATOM 257 N PRO A 17 -4.275 5.557 8.129 1.00 0.00 N ATOM 258 CA PRO A 17 -4.868 4.610 7.191 1.00 0.00 C ATOM 259 C PRO A 17 -4.884 5.150 5.764 1.00 0.00 C ATOM 260 O PRO A 17 -4.980 6.361 5.557 1.00 0.00 O ATOM 261 CB PRO A 17 -6.300 4.442 7.715 1.00 0.00 C ATOM 262 CG PRO A 17 -6.558 5.597 8.648 1.00 0.00 C ATOM 263 CD PRO A 17 -5.292 6.415 8.740 1.00 0.00 C ATOM 0 HA PRO A 17 -4.307 3.677 7.140 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.015 4.442 6.893 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.412 3.491 8.236 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.381 6.209 8.278 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.849 5.233 9.633 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.388 7.362 8.208 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.045 6.654 9.774 1.00 0.00 H new ATOM 271 N PHE A 18 -4.800 4.259 4.779 1.00 0.00 N ATOM 272 CA PHE A 18 -4.826 4.689 3.385 1.00 0.00 C ATOM 273 C PHE A 18 -6.165 4.355 2.749 1.00 0.00 C ATOM 274 O PHE A 18 -6.841 3.415 3.165 1.00 0.00 O ATOM 275 CB PHE A 18 -3.664 4.102 2.570 1.00 0.00 C ATOM 276 CG PHE A 18 -3.683 2.612 2.367 1.00 0.00 C ATOM 277 CD1 PHE A 18 -3.284 1.753 3.373 1.00 0.00 C ATOM 278 CD2 PHE A 18 -4.075 2.078 1.153 1.00 0.00 C ATOM 279 CE1 PHE A 18 -3.278 0.384 3.174 1.00 0.00 C ATOM 280 CE2 PHE A 18 -4.079 0.714 0.944 1.00 0.00 C ATOM 281 CZ PHE A 18 -3.675 -0.141 1.954 1.00 0.00 C ATOM 0 H PHE A 18 -4.715 3.252 4.917 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.697 5.771 3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.655 4.581 1.591 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.730 4.369 3.064 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.973 2.155 4.326 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.383 2.739 0.356 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.964 -0.276 3.969 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.397 0.314 -0.007 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.669 -1.209 1.793 1.00 0.00 H new ATOM 291 N LEU A 19 -6.560 5.154 1.764 1.00 0.00 N ATOM 292 CA LEU A 19 -7.845 4.974 1.096 1.00 0.00 C ATOM 293 C LEU A 19 -7.762 4.049 -0.114 1.00 0.00 C ATOM 294 O LEU A 19 -7.086 4.346 -1.104 1.00 0.00 O ATOM 295 CB LEU A 19 -8.395 6.331 0.664 1.00 0.00 C ATOM 296 CG LEU A 19 -9.834 6.311 0.157 1.00 0.00 C ATOM 297 CD1 LEU A 19 -10.788 5.966 1.288 1.00 0.00 C ATOM 298 CD2 LEU A 19 -10.190 7.650 -0.461 1.00 0.00 C ATOM 0 H LEU A 19 -6.008 5.935 1.409 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.514 4.502 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.333 7.017 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.754 6.733 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.926 5.543 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.811 5.956 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.538 4.983 1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.700 6.712 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.219 7.623 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.087 8.435 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.520 7.855 -1.296 1.00 0.00 H new ATOM 310 N PHE A 20 -8.492 2.945 -0.028 1.00 0.00 N ATOM 311 CA PHE A 20 -8.571 1.961 -1.101 1.00 0.00 C ATOM 312 C PHE A 20 -10.033 1.643 -1.372 1.00 0.00 C ATOM 313 O PHE A 20 -10.683 1.018 -0.535 1.00 0.00 O ATOM 314 CB PHE A 20 -7.879 0.660 -0.708 1.00 0.00 C ATOM 315 CG PHE A 20 -7.674 -0.287 -1.852 1.00 0.00 C ATOM 316 CD1 PHE A 20 -7.197 0.144 -3.076 1.00 0.00 C ATOM 317 CD2 PHE A 20 -7.963 -1.628 -1.682 1.00 0.00 C ATOM 318 CE1 PHE A 20 -7.019 -0.756 -4.112 1.00 0.00 C ATOM 319 CE2 PHE A 20 -7.786 -2.529 -2.709 1.00 0.00 C ATOM 320 CZ PHE A 20 -7.311 -2.094 -3.927 1.00 0.00 C ATOM 0 H PHE A 20 -9.049 2.705 0.792 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.082 2.379 -1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.911 0.894 -0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.470 0.163 0.061 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.962 1.188 -3.224 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.334 -1.975 -0.729 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.651 -0.412 -5.067 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.019 -3.573 -2.560 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.167 -2.796 -4.735 1.00 0.00 H new ATOM 330 N ASN A 21 -10.549 2.062 -2.526 1.00 0.00 N ATOM 331 CA ASN A 21 -11.954 1.802 -2.883 1.00 0.00 C ATOM 332 C ASN A 21 -12.929 2.329 -1.830 1.00 0.00 C ATOM 333 O ASN A 21 -14.020 1.785 -1.656 1.00 0.00 O ATOM 334 CB ASN A 21 -12.194 0.301 -3.083 1.00 0.00 C ATOM 335 CG ASN A 21 -11.700 -0.191 -4.425 1.00 0.00 C ATOM 336 OD1 ASN A 21 -12.213 0.216 -5.468 1.00 0.00 O ATOM 337 ND2 ASN A 21 -10.704 -1.067 -4.413 1.00 0.00 N ATOM 0 H ASN A 21 -10.024 2.580 -3.230 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.140 2.335 -3.815 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.692 -0.253 -2.290 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.260 0.092 -2.993 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.334 -1.430 -5.291 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.308 -1.377 -3.526 1.00 0.00 H new ATOM 344 N GLY A 22 -12.543 3.385 -1.128 1.00 0.00 N ATOM 345 CA GLY A 22 -13.412 3.947 -0.109 1.00 0.00 C ATOM 346 C GLY A 22 -13.210 3.313 1.255 1.00 0.00 C ATOM 347 O GLY A 22 -13.949 3.603 2.193 1.00 0.00 O ATOM 0 H GLY A 22 -11.649 3.862 -1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.231 5.019 -0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.451 3.819 -0.413 1.00 0.00 H new ATOM 351 N LYS A 23 -12.212 2.448 1.375 1.00 0.00 N ATOM 352 CA LYS A 23 -11.927 1.786 2.641 1.00 0.00 C ATOM 353 C LYS A 23 -10.541 2.193 3.136 1.00 0.00 C ATOM 354 O LYS A 23 -9.597 2.253 2.354 1.00 0.00 O ATOM 355 CB LYS A 23 -12.007 0.265 2.471 1.00 0.00 C ATOM 356 CG LYS A 23 -11.806 -0.515 3.763 1.00 0.00 C ATOM 357 CD LYS A 23 -11.875 -2.017 3.519 1.00 0.00 C ATOM 358 CE LYS A 23 -11.485 -2.799 4.760 1.00 0.00 C ATOM 359 NZ LYS A 23 -12.383 -2.505 5.907 1.00 0.00 N ATOM 0 H LYS A 23 -11.587 2.188 0.612 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.669 2.091 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.979 0.008 2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.254 -0.049 1.748 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.840 -0.259 4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.568 -0.227 4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.886 -2.292 3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.212 -2.284 2.696 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.515 -3.866 4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.458 -2.558 5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.170 -3.155 6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.236 -1.524 6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.373 -2.630 5.614 1.00 0.00 H new ATOM 373 N GLU A 24 -10.426 2.485 4.422 1.00 0.00 N ATOM 374 CA GLU A 24 -9.146 2.900 4.993 1.00 0.00 C ATOM 375 C GLU A 24 -8.461 1.736 5.707 1.00 0.00 C ATOM 376 O GLU A 24 -9.064 1.068 6.546 1.00 0.00 O ATOM 377 CB GLU A 24 -9.365 4.068 5.958 1.00 0.00 C ATOM 378 CG GLU A 24 -10.050 5.260 5.309 1.00 0.00 C ATOM 379 CD GLU A 24 -10.216 6.432 6.250 1.00 0.00 C ATOM 380 OE1 GLU A 24 -9.879 6.296 7.442 1.00 0.00 O ATOM 381 OE2 GLU A 24 -10.690 7.488 5.797 1.00 0.00 O ATOM 0 H GLU A 24 -11.196 2.444 5.090 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.493 3.224 4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.966 3.727 6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.402 4.385 6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.471 5.577 4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.030 4.954 4.943 1.00 0.00 H new ATOM 388 N TYR A 25 -7.197 1.494 5.362 1.00 0.00 N ATOM 389 CA TYR A 25 -6.429 0.403 5.969 1.00 0.00 C ATOM 390 C TYR A 25 -5.288 0.941 6.824 1.00 0.00 C ATOM 391 O TYR A 25 -4.537 1.814 6.391 1.00 0.00 O ATOM 392 CB TYR A 25 -5.833 -0.519 4.905 1.00 0.00 C ATOM 393 CG TYR A 25 -6.835 -1.188 3.997 1.00 0.00 C ATOM 394 CD1 TYR A 25 -7.490 -0.465 3.016 1.00 0.00 C ATOM 395 CD2 TYR A 25 -7.114 -2.542 4.120 1.00 0.00 C ATOM 396 CE1 TYR A 25 -8.400 -1.070 2.170 1.00 0.00 C ATOM 397 CE2 TYR A 25 -8.024 -3.158 3.279 1.00 0.00 C ATOM 398 CZ TYR A 25 -8.664 -2.416 2.305 1.00 0.00 C ATOM 399 OH TYR A 25 -9.570 -3.020 1.461 1.00 0.00 O ATOM 0 H TYR A 25 -6.683 2.036 4.668 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.126 -0.158 6.592 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.142 0.060 4.292 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.247 -1.291 5.404 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.287 0.590 2.910 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.615 -3.122 4.882 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.901 -0.492 1.408 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.233 -4.212 3.383 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.643 -3.971 1.686 1.00 0.00 H new ATOM 409 N ASN A 26 -5.139 0.402 8.024 1.00 0.00 N ATOM 410 CA ASN A 26 -4.064 0.823 8.922 1.00 0.00 C ATOM 411 C ASN A 26 -2.888 -0.144 8.856 1.00 0.00 C ATOM 412 O ASN A 26 -2.057 -0.186 9.763 1.00 0.00 O ATOM 413 CB ASN A 26 -4.571 0.939 10.357 1.00 0.00 C ATOM 414 CG ASN A 26 -5.356 2.211 10.579 1.00 0.00 C ATOM 415 OD1 ASN A 26 -4.800 3.308 10.532 1.00 0.00 O ATOM 416 ND2 ASN A 26 -6.652 2.077 10.809 1.00 0.00 N ATOM 0 H ASN A 26 -5.745 -0.326 8.402 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.721 1.804 8.594 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.200 0.080 10.590 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.725 0.910 11.044 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.232 2.903 10.956 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.071 1.148 10.839 1.00 0.00 H new ATOM 423 N SER A 27 -2.825 -0.908 7.773 1.00 0.00 N ATOM 424 CA SER A 27 -1.755 -1.874 7.558 1.00 0.00 C ATOM 425 C SER A 27 -1.775 -2.351 6.108 1.00 0.00 C ATOM 426 O SER A 27 -2.703 -2.036 5.363 1.00 0.00 O ATOM 427 CB SER A 27 -1.903 -3.064 8.516 1.00 0.00 C ATOM 428 OG SER A 27 -3.174 -3.682 8.380 1.00 0.00 O ATOM 0 H SER A 27 -3.513 -0.876 7.020 1.00 0.00 H new ATOM 0 HA SER A 27 -0.798 -1.392 7.760 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.118 -3.794 8.316 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.769 -2.725 9.543 1.00 0.00 H new ATOM 0 HG SER A 27 -3.239 -4.437 9.001 1.00 0.00 H new ATOM 434 N CYS A 28 -0.760 -3.112 5.713 1.00 0.00 N ATOM 435 CA CYS A 28 -0.689 -3.630 4.343 1.00 0.00 C ATOM 436 C CYS A 28 -1.727 -4.731 4.133 1.00 0.00 C ATOM 437 O CYS A 28 -1.875 -5.630 4.961 1.00 0.00 O ATOM 438 CB CYS A 28 0.721 -4.149 4.006 1.00 0.00 C ATOM 439 SG CYS A 28 1.943 -2.837 3.648 1.00 0.00 S ATOM 0 H CYS A 28 0.020 -3.384 6.312 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.909 -2.805 3.666 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.084 -4.748 4.841 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.654 -4.812 3.143 1.00 0.00 H new ATOM 444 N THR A 29 -2.451 -4.646 3.025 1.00 0.00 N ATOM 445 CA THR A 29 -3.479 -5.618 2.709 1.00 0.00 C ATOM 446 C THR A 29 -3.160 -6.318 1.396 1.00 0.00 C ATOM 447 O THR A 29 -2.401 -5.792 0.592 1.00 0.00 O ATOM 448 CB THR A 29 -4.843 -4.923 2.621 1.00 0.00 C ATOM 449 OG1 THR A 29 -5.868 -5.868 2.377 1.00 0.00 O ATOM 450 CG2 THR A 29 -4.929 -3.863 1.529 1.00 0.00 C ATOM 0 H THR A 29 -2.341 -3.908 2.329 1.00 0.00 H new ATOM 0 HA THR A 29 -3.512 -6.366 3.501 1.00 0.00 H new ATOM 0 HB THR A 29 -4.969 -4.430 3.585 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.705 -5.554 2.779 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.924 -3.418 1.531 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.185 -3.088 1.714 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.740 -4.323 0.559 1.00 0.00 H new ATOM 458 N ASP A 30 -3.754 -7.486 1.169 1.00 0.00 N ATOM 459 CA ASP A 30 -3.531 -8.206 -0.077 1.00 0.00 C ATOM 460 C ASP A 30 -4.718 -7.998 -1.003 1.00 0.00 C ATOM 461 O ASP A 30 -4.869 -8.691 -2.011 1.00 0.00 O ATOM 462 CB ASP A 30 -3.308 -9.703 0.134 1.00 0.00 C ATOM 463 CG ASP A 30 -3.011 -10.093 1.566 1.00 0.00 C ATOM 464 OD1 ASP A 30 -3.914 -9.968 2.421 1.00 0.00 O ATOM 465 OD2 ASP A 30 -1.882 -10.540 1.837 1.00 0.00 O ATOM 0 H ASP A 30 -4.385 -7.948 1.823 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.620 -7.804 -0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.195 -10.241 -0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.481 -10.028 -0.498 1.00 0.00 H new ATOM 470 N THR A 31 -5.568 -7.039 -0.644 1.00 0.00 N ATOM 471 CA THR A 31 -6.752 -6.725 -1.432 1.00 0.00 C ATOM 472 C THR A 31 -6.337 -6.175 -2.789 1.00 0.00 C ATOM 473 O THR A 31 -5.386 -5.401 -2.889 1.00 0.00 O ATOM 474 CB THR A 31 -7.612 -5.699 -0.692 1.00 0.00 C ATOM 475 OG1 THR A 31 -7.868 -6.121 0.636 1.00 0.00 O ATOM 476 CG2 THR A 31 -8.951 -5.425 -1.347 1.00 0.00 C ATOM 0 H THR A 31 -5.456 -6.465 0.192 1.00 0.00 H new ATOM 0 HA THR A 31 -7.335 -7.634 -1.580 1.00 0.00 H new ATOM 0 HB THR A 31 -7.026 -4.780 -0.717 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.020 -6.212 1.120 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.499 -4.687 -0.761 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.791 -5.042 -2.355 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.527 -6.349 -1.397 1.00 0.00 H new ATOM 484 N GLY A 32 -7.040 -6.586 -3.833 1.00 0.00 N ATOM 485 CA GLY A 32 -6.714 -6.128 -5.163 1.00 0.00 C ATOM 486 C GLY A 32 -5.618 -6.964 -5.801 1.00 0.00 C ATOM 487 O GLY A 32 -5.447 -6.955 -7.019 1.00 0.00 O ATOM 0 H GLY A 32 -7.830 -7.229 -3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.607 -6.163 -5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.396 -5.086 -5.120 1.00 0.00 H new ATOM 491 N ARG A 33 -4.888 -7.698 -4.970 1.00 0.00 N ATOM 492 CA ARG A 33 -3.811 -8.559 -5.434 1.00 0.00 C ATOM 493 C ARG A 33 -4.352 -9.959 -5.699 1.00 0.00 C ATOM 494 O ARG A 33 -5.387 -10.343 -5.154 1.00 0.00 O ATOM 495 CB ARG A 33 -2.701 -8.631 -4.383 1.00 0.00 C ATOM 496 CG ARG A 33 -2.172 -7.274 -3.943 1.00 0.00 C ATOM 497 CD ARG A 33 -1.494 -6.519 -5.079 1.00 0.00 C ATOM 498 NE ARG A 33 -0.360 -7.249 -5.644 1.00 0.00 N ATOM 499 CZ ARG A 33 0.532 -6.702 -6.464 1.00 0.00 C ATOM 500 NH1 ARG A 33 0.461 -5.412 -6.756 1.00 0.00 N ATOM 501 NH2 ARG A 33 1.489 -7.447 -6.995 1.00 0.00 N ATOM 0 H ARG A 33 -5.026 -7.712 -3.960 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.401 -8.145 -6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.077 -9.163 -3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.875 -9.219 -4.783 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.995 -6.675 -3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.463 -7.411 -3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.223 -6.323 -5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.152 -5.551 -4.713 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.247 -8.232 -5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.278 -4.838 -6.352 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.146 -4.993 -7.385 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.542 -8.442 -6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.173 -7.026 -7.624 1.00 0.00 H new ATOM 515 N SER A 34 -3.662 -10.720 -6.533 1.00 0.00 N ATOM 516 CA SER A 34 -4.101 -12.069 -6.854 1.00 0.00 C ATOM 517 C SER A 34 -3.168 -13.121 -6.252 1.00 0.00 C ATOM 518 O SER A 34 -3.481 -14.312 -6.255 1.00 0.00 O ATOM 519 CB SER A 34 -4.184 -12.238 -8.373 1.00 0.00 C ATOM 520 OG SER A 34 -5.011 -11.237 -8.955 1.00 0.00 O ATOM 0 H SER A 34 -2.801 -10.430 -6.997 1.00 0.00 H new ATOM 0 HA SER A 34 -5.089 -12.218 -6.418 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.184 -12.183 -8.803 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.580 -13.225 -8.611 1.00 0.00 H new ATOM 0 HG SER A 34 -5.046 -11.366 -9.926 1.00 0.00 H new ATOM 526 N ASP A 35 -2.012 -12.691 -5.756 1.00 0.00 N ATOM 527 CA ASP A 35 -1.049 -13.613 -5.186 1.00 0.00 C ATOM 528 C ASP A 35 -0.942 -13.492 -3.670 1.00 0.00 C ATOM 529 O ASP A 35 -0.014 -14.026 -3.064 1.00 0.00 O ATOM 530 CB ASP A 35 0.306 -13.391 -5.820 1.00 0.00 C ATOM 531 CG ASP A 35 0.340 -13.746 -7.289 1.00 0.00 C ATOM 532 OD1 ASP A 35 0.048 -14.910 -7.628 1.00 0.00 O ATOM 533 OD2 ASP A 35 0.664 -12.862 -8.105 1.00 0.00 O ATOM 0 H ASP A 35 -1.724 -11.713 -5.739 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.402 -14.622 -5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.590 -12.346 -5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.050 -13.987 -5.291 1.00 0.00 H new ATOM 538 N GLY A 36 -1.900 -12.812 -3.062 1.00 0.00 N ATOM 539 CA GLY A 36 -1.906 -12.654 -1.619 1.00 0.00 C ATOM 540 C GLY A 36 -0.704 -11.896 -1.084 1.00 0.00 C ATOM 541 O GLY A 36 -0.086 -12.317 -0.104 1.00 0.00 O ATOM 0 H GLY A 36 -2.679 -12.363 -3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.815 -12.131 -1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.939 -13.639 -1.154 1.00 0.00 H new ATOM 545 N PHE A 37 -0.380 -10.766 -1.699 1.00 0.00 N ATOM 546 CA PHE A 37 0.738 -9.953 -1.238 1.00 0.00 C ATOM 547 C PHE A 37 0.236 -8.650 -0.638 1.00 0.00 C ATOM 548 O PHE A 37 -0.576 -7.949 -1.238 1.00 0.00 O ATOM 549 CB PHE A 37 1.738 -9.692 -2.364 1.00 0.00 C ATOM 550 CG PHE A 37 2.626 -10.876 -2.637 1.00 0.00 C ATOM 551 CD1 PHE A 37 3.389 -11.430 -1.620 1.00 0.00 C ATOM 552 CD2 PHE A 37 2.691 -11.441 -3.899 1.00 0.00 C ATOM 553 CE1 PHE A 37 4.201 -12.523 -1.858 1.00 0.00 C ATOM 554 CE2 PHE A 37 3.501 -12.531 -4.142 1.00 0.00 C ATOM 555 CZ PHE A 37 4.254 -13.075 -3.123 1.00 0.00 C ATOM 0 H PHE A 37 -0.871 -10.394 -2.512 1.00 0.00 H new ATOM 0 HA PHE A 37 1.262 -10.509 -0.460 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.196 -9.432 -3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.355 -8.832 -2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.348 -11.002 -0.629 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.101 -11.024 -4.702 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.792 -12.944 -1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.545 -12.959 -5.133 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.884 -13.931 -3.314 1.00 0.00 H new ATOM 565 N LEU A 38 0.706 -8.352 0.562 1.00 0.00 N ATOM 566 CA LEU A 38 0.294 -7.158 1.279 1.00 0.00 C ATOM 567 C LEU A 38 1.007 -5.903 0.769 1.00 0.00 C ATOM 568 O LEU A 38 2.222 -5.892 0.564 1.00 0.00 O ATOM 569 CB LEU A 38 0.537 -7.360 2.778 1.00 0.00 C ATOM 570 CG LEU A 38 1.629 -8.375 3.148 1.00 0.00 C ATOM 571 CD1 LEU A 38 3.017 -7.778 2.975 1.00 0.00 C ATOM 572 CD2 LEU A 38 1.435 -8.864 4.573 1.00 0.00 C ATOM 0 H LEU A 38 1.381 -8.929 1.064 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.770 -7.001 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.798 -6.397 3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.398 -7.677 3.239 1.00 0.00 H new ATOM 0 HG LEU A 38 1.543 -9.224 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.768 -8.520 3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.158 -7.480 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.121 -6.906 3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.216 -9.583 4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.489 -8.018 5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.460 -9.343 4.664 1.00 0.00 H new ATOM 584 N TRP A 39 0.228 -4.849 0.561 1.00 0.00 N ATOM 585 CA TRP A 39 0.745 -3.581 0.067 1.00 0.00 C ATOM 586 C TRP A 39 0.056 -2.407 0.758 1.00 0.00 C ATOM 587 O TRP A 39 -0.908 -2.591 1.504 1.00 0.00 O ATOM 588 CB TRP A 39 0.521 -3.477 -1.448 1.00 0.00 C ATOM 589 CG TRP A 39 -0.931 -3.501 -1.828 1.00 0.00 C ATOM 590 CD1 TRP A 39 -1.724 -4.601 -1.956 1.00 0.00 C ATOM 591 CD2 TRP A 39 -1.773 -2.370 -2.096 1.00 0.00 C ATOM 592 NE1 TRP A 39 -2.995 -4.227 -2.296 1.00 0.00 N ATOM 593 CE2 TRP A 39 -3.052 -2.868 -2.390 1.00 0.00 C ATOM 594 CE3 TRP A 39 -1.574 -0.989 -2.117 1.00 0.00 C ATOM 595 CZ2 TRP A 39 -4.116 -2.038 -2.704 1.00 0.00 C ATOM 596 CZ3 TRP A 39 -2.635 -0.166 -2.429 1.00 0.00 C ATOM 597 CH2 TRP A 39 -3.893 -0.696 -2.720 1.00 0.00 C ATOM 0 H TRP A 39 -0.778 -4.850 0.730 1.00 0.00 H new ATOM 0 HA TRP A 39 1.812 -3.543 0.285 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.972 -2.555 -1.814 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.034 -4.301 -1.943 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -1.397 -5.620 -1.810 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.776 -4.864 -2.454 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.604 -0.571 -1.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.091 -2.443 -2.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.491 0.904 -2.449 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.706 -0.027 -2.963 1.00 0.00 H new ATOM 608 N CYS A 40 0.549 -1.204 0.490 1.00 0.00 N ATOM 609 CA CYS A 40 -0.013 0.018 1.058 1.00 0.00 C ATOM 610 C CYS A 40 0.150 1.153 0.052 1.00 0.00 C ATOM 611 O CYS A 40 1.060 1.110 -0.778 1.00 0.00 O ATOM 612 CB CYS A 40 0.721 0.390 2.355 1.00 0.00 C ATOM 613 SG CYS A 40 2.315 1.256 2.087 1.00 0.00 S ATOM 0 H CYS A 40 1.347 -1.047 -0.125 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.068 -0.144 1.280 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.072 1.024 2.959 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.904 -0.518 2.930 1.00 0.00 H new ATOM 618 N SER A 41 -0.685 2.176 0.128 1.00 0.00 N ATOM 619 CA SER A 41 -0.533 3.292 -0.783 1.00 0.00 C ATOM 620 C SER A 41 0.305 4.359 -0.097 1.00 0.00 C ATOM 621 O SER A 41 0.365 4.420 1.134 1.00 0.00 O ATOM 622 CB SER A 41 -1.883 3.862 -1.234 1.00 0.00 C ATOM 623 OG SER A 41 -2.562 4.505 -0.172 1.00 0.00 O ATOM 0 H SER A 41 -1.454 2.255 0.793 1.00 0.00 H new ATOM 0 HA SER A 41 -0.034 2.943 -1.687 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.725 4.571 -2.047 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.504 3.058 -1.629 1.00 0.00 H new ATOM 0 HG SER A 41 -3.478 4.716 -0.449 1.00 0.00 H new ATOM 629 N THR A 42 0.972 5.178 -0.880 1.00 0.00 N ATOM 630 CA THR A 42 1.819 6.214 -0.327 1.00 0.00 C ATOM 631 C THR A 42 1.117 7.563 -0.377 1.00 0.00 C ATOM 632 O THR A 42 1.484 8.504 0.327 1.00 0.00 O ATOM 633 CB THR A 42 3.122 6.269 -1.121 1.00 0.00 C ATOM 634 OG1 THR A 42 3.284 5.087 -1.887 1.00 0.00 O ATOM 635 CG2 THR A 42 4.348 6.407 -0.254 1.00 0.00 C ATOM 0 H THR A 42 0.945 5.148 -1.899 1.00 0.00 H new ATOM 0 HA THR A 42 2.034 5.983 0.716 1.00 0.00 H new ATOM 0 HB THR A 42 3.038 7.154 -1.752 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.016 4.553 -1.514 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.237 6.440 -0.884 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.281 7.327 0.327 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.413 5.554 0.422 1.00 0.00 H new ATOM 643 N THR A 43 0.118 7.649 -1.237 1.00 0.00 N ATOM 644 CA THR A 43 -0.628 8.874 -1.428 1.00 0.00 C ATOM 645 C THR A 43 -2.007 8.825 -0.779 1.00 0.00 C ATOM 646 O THR A 43 -2.298 7.949 0.037 1.00 0.00 O ATOM 647 CB THR A 43 -0.743 9.125 -2.921 1.00 0.00 C ATOM 648 OG1 THR A 43 -1.039 7.914 -3.595 1.00 0.00 O ATOM 649 CG2 THR A 43 0.521 9.691 -3.523 1.00 0.00 C ATOM 0 H THR A 43 -0.196 6.873 -1.820 1.00 0.00 H new ATOM 0 HA THR A 43 -0.096 9.691 -0.940 1.00 0.00 H new ATOM 0 HB THR A 43 -1.541 9.857 -3.045 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.954 7.636 -3.382 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.376 9.848 -4.592 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.758 10.642 -3.045 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.343 8.992 -3.367 1.00 0.00 H new ATOM 657 N TYR A 44 -2.837 9.801 -1.147 1.00 0.00 N ATOM 658 CA TYR A 44 -4.191 9.936 -0.620 1.00 0.00 C ATOM 659 C TYR A 44 -5.070 8.760 -1.023 1.00 0.00 C ATOM 660 O TYR A 44 -5.492 7.968 -0.183 1.00 0.00 O ATOM 661 CB TYR A 44 -4.795 11.261 -1.119 1.00 0.00 C ATOM 662 CG TYR A 44 -6.149 11.622 -0.523 1.00 0.00 C ATOM 663 CD1 TYR A 44 -7.312 10.954 -0.892 1.00 0.00 C ATOM 664 CD2 TYR A 44 -6.259 12.650 0.408 1.00 0.00 C ATOM 665 CE1 TYR A 44 -8.538 11.300 -0.355 1.00 0.00 C ATOM 666 CE2 TYR A 44 -7.480 12.998 0.950 1.00 0.00 C ATOM 667 CZ TYR A 44 -8.615 12.322 0.565 1.00 0.00 C ATOM 668 OH TYR A 44 -9.830 12.665 1.103 1.00 0.00 O ATOM 0 H TYR A 44 -2.586 10.523 -1.823 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.143 9.941 0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.094 12.066 -0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.895 11.211 -2.203 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.256 10.150 -1.611 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -5.372 13.186 0.712 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.431 10.772 -0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.544 13.798 1.673 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.711 13.404 1.736 1.00 0.00 H new ATOM 678 N ASN A 45 -5.358 8.654 -2.310 1.00 0.00 N ATOM 679 CA ASN A 45 -6.201 7.580 -2.809 1.00 0.00 C ATOM 680 C ASN A 45 -5.440 6.784 -3.859 1.00 0.00 C ATOM 681 O ASN A 45 -4.910 7.354 -4.807 1.00 0.00 O ATOM 682 CB ASN A 45 -7.491 8.172 -3.404 1.00 0.00 C ATOM 683 CG ASN A 45 -8.585 7.188 -3.707 1.00 0.00 C ATOM 684 OD1 ASN A 45 -9.727 7.590 -3.921 1.00 0.00 O ATOM 685 ND2 ASN A 45 -8.283 5.920 -3.772 1.00 0.00 N ATOM 0 H ASN A 45 -5.021 9.297 -3.027 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.471 6.911 -1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.880 8.916 -2.709 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.236 8.697 -4.324 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.003 5.236 -4.005 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.327 5.613 -3.590 1.00 0.00 H new ATOM 692 N PHE A 46 -5.379 5.469 -3.680 1.00 0.00 N ATOM 693 CA PHE A 46 -4.667 4.594 -4.614 1.00 0.00 C ATOM 694 C PHE A 46 -5.232 4.689 -6.033 1.00 0.00 C ATOM 695 O PHE A 46 -4.493 4.594 -7.005 1.00 0.00 O ATOM 696 CB PHE A 46 -4.734 3.138 -4.133 1.00 0.00 C ATOM 697 CG PHE A 46 -3.979 2.181 -5.024 1.00 0.00 C ATOM 698 CD1 PHE A 46 -2.612 2.332 -5.233 1.00 0.00 C ATOM 699 CD2 PHE A 46 -4.632 1.138 -5.659 1.00 0.00 C ATOM 700 CE1 PHE A 46 -1.924 1.463 -6.054 1.00 0.00 C ATOM 701 CE2 PHE A 46 -3.945 0.266 -6.479 1.00 0.00 C ATOM 702 CZ PHE A 46 -2.591 0.428 -6.678 1.00 0.00 C ATOM 0 H PHE A 46 -5.814 4.982 -2.896 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.630 4.928 -4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.331 3.077 -3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.778 2.828 -4.079 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.083 3.139 -4.747 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.693 1.005 -5.511 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.863 1.592 -6.209 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.469 -0.544 -6.965 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.053 -0.253 -7.321 1.00 0.00 H new ATOM 712 N GLU A 47 -6.541 4.848 -6.139 1.00 0.00 N ATOM 713 CA GLU A 47 -7.217 4.921 -7.408 1.00 0.00 C ATOM 714 C GLU A 47 -6.799 6.126 -8.257 1.00 0.00 C ATOM 715 O GLU A 47 -6.473 5.978 -9.437 1.00 0.00 O ATOM 716 CB GLU A 47 -8.714 4.954 -7.146 1.00 0.00 C ATOM 717 CG GLU A 47 -9.360 3.579 -7.078 1.00 0.00 C ATOM 718 CD GLU A 47 -9.086 2.843 -5.780 1.00 0.00 C ATOM 719 OE1 GLU A 47 -8.583 3.468 -4.828 1.00 0.00 O ATOM 720 OE2 GLU A 47 -9.398 1.641 -5.710 1.00 0.00 O ATOM 0 H GLU A 47 -7.163 4.930 -5.335 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.936 4.042 -7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.897 5.477 -6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.198 5.533 -7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.437 3.686 -7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.999 2.976 -7.911 1.00 0.00 H new ATOM 727 N LYS A 48 -6.843 7.318 -7.675 1.00 0.00 N ATOM 728 CA LYS A 48 -6.501 8.529 -8.417 1.00 0.00 C ATOM 729 C LYS A 48 -4.996 8.759 -8.526 1.00 0.00 C ATOM 730 O LYS A 48 -4.530 9.321 -9.518 1.00 0.00 O ATOM 731 CB LYS A 48 -7.166 9.756 -7.791 1.00 0.00 C ATOM 732 CG LYS A 48 -6.863 9.943 -6.313 1.00 0.00 C ATOM 733 CD LYS A 48 -7.461 11.233 -5.770 1.00 0.00 C ATOM 734 CE LYS A 48 -6.757 12.467 -6.323 1.00 0.00 C ATOM 735 NZ LYS A 48 -5.352 12.570 -5.838 1.00 0.00 N ATOM 0 H LYS A 48 -7.109 7.474 -6.703 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.880 8.381 -9.428 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.844 10.646 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.245 9.677 -7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.257 9.096 -5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.784 9.951 -6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.520 11.276 -6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.393 11.234 -4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.763 12.431 -7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.308 13.361 -6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.720 12.761 -6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.279 13.345 -5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.075 11.676 -5.385 1.00 0.00 H new ATOM 749 N ASP A 49 -4.241 8.362 -7.512 1.00 0.00 N ATOM 750 CA ASP A 49 -2.797 8.576 -7.534 1.00 0.00 C ATOM 751 C ASP A 49 -2.069 7.391 -8.164 1.00 0.00 C ATOM 752 O ASP A 49 -1.405 7.543 -9.189 1.00 0.00 O ATOM 753 CB ASP A 49 -2.266 8.862 -6.130 1.00 0.00 C ATOM 754 CG ASP A 49 -2.799 10.159 -5.557 1.00 0.00 C ATOM 755 OD1 ASP A 49 -4.009 10.242 -5.280 1.00 0.00 O ATOM 756 OD2 ASP A 49 -2.004 11.101 -5.388 1.00 0.00 O ATOM 0 H ASP A 49 -4.594 7.897 -6.676 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.601 9.451 -8.154 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.537 8.039 -5.469 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.177 8.903 -6.159 1.00 0.00 H new ATOM 761 N GLY A 50 -2.215 6.212 -7.573 1.00 0.00 N ATOM 762 CA GLY A 50 -1.586 5.031 -8.121 1.00 0.00 C ATOM 763 C GLY A 50 -0.277 4.650 -7.450 1.00 0.00 C ATOM 764 O GLY A 50 0.377 3.704 -7.879 1.00 0.00 O ATOM 0 H GLY A 50 -2.758 6.055 -6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.279 4.194 -8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.403 5.191 -9.183 1.00 0.00 H new ATOM 768 N LYS A 51 0.121 5.367 -6.406 1.00 0.00 N ATOM 769 CA LYS A 51 1.371 5.056 -5.714 1.00 0.00 C ATOM 770 C LYS A 51 1.175 3.927 -4.715 1.00 0.00 C ATOM 771 O LYS A 51 0.263 3.972 -3.882 1.00 0.00 O ATOM 772 CB LYS A 51 1.923 6.288 -4.997 1.00 0.00 C ATOM 773 CG LYS A 51 2.688 7.246 -5.898 1.00 0.00 C ATOM 774 CD LYS A 51 1.799 7.897 -6.947 1.00 0.00 C ATOM 775 CE LYS A 51 2.614 8.682 -7.963 1.00 0.00 C ATOM 776 NZ LYS A 51 3.381 9.791 -7.336 1.00 0.00 N ATOM 0 H LYS A 51 -0.395 6.159 -6.022 1.00 0.00 H new ATOM 0 HA LYS A 51 2.090 4.737 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.096 6.826 -4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.581 5.961 -4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.151 8.021 -5.288 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.495 6.706 -6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.219 7.130 -7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.087 8.562 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.304 8.008 -8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.948 9.089 -8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.867 10.338 -8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.730 10.413 -6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.084 9.398 -6.678 1.00 0.00 H new ATOM 790 N TYR A 52 2.029 2.913 -4.794 1.00 0.00 N ATOM 791 CA TYR A 52 1.936 1.778 -3.900 1.00 0.00 C ATOM 792 C TYR A 52 3.305 1.172 -3.625 1.00 0.00 C ATOM 793 O TYR A 52 4.274 1.413 -4.348 1.00 0.00 O ATOM 794 CB TYR A 52 1.030 0.703 -4.518 1.00 0.00 C ATOM 795 CG TYR A 52 1.633 0.031 -5.738 1.00 0.00 C ATOM 796 CD1 TYR A 52 2.494 -1.054 -5.608 1.00 0.00 C ATOM 797 CD2 TYR A 52 1.358 0.494 -7.019 1.00 0.00 C ATOM 798 CE1 TYR A 52 3.057 -1.660 -6.715 1.00 0.00 C ATOM 799 CE2 TYR A 52 1.917 -0.106 -8.130 1.00 0.00 C ATOM 800 CZ TYR A 52 2.765 -1.180 -7.975 1.00 0.00 C ATOM 801 OH TYR A 52 3.310 -1.783 -9.087 1.00 0.00 O ATOM 0 H TYR A 52 2.791 2.859 -5.470 1.00 0.00 H new ATOM 0 HA TYR A 52 1.517 2.131 -2.958 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.814 -0.055 -3.765 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.079 1.157 -4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.727 -1.430 -4.623 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.696 1.337 -7.148 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.721 -2.503 -6.595 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.690 0.266 -9.118 1.00 0.00 H new ATOM 0 HH TYR A 52 3.001 -1.321 -9.894 1.00 0.00 H new ATOM 811 N GLY A 53 3.351 0.348 -2.595 1.00 0.00 N ATOM 812 CA GLY A 53 4.555 -0.351 -2.222 1.00 0.00 C ATOM 813 C GLY A 53 4.218 -1.492 -1.298 1.00 0.00 C ATOM 814 O GLY A 53 3.133 -1.518 -0.718 1.00 0.00 O ATOM 0 H GLY A 53 2.550 0.148 -1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.058 -0.729 -3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.247 0.334 -1.732 1.00 0.00 H new ATOM 818 N PHE A 54 5.107 -2.457 -1.178 1.00 0.00 N ATOM 819 CA PHE A 54 4.829 -3.608 -0.342 1.00 0.00 C ATOM 820 C PHE A 54 5.523 -3.508 0.999 1.00 0.00 C ATOM 821 O PHE A 54 6.637 -2.988 1.090 1.00 0.00 O ATOM 822 CB PHE A 54 5.267 -4.886 -1.048 1.00 0.00 C ATOM 823 CG PHE A 54 4.664 -5.050 -2.415 1.00 0.00 C ATOM 824 CD1 PHE A 54 5.099 -4.272 -3.480 1.00 0.00 C ATOM 825 CD2 PHE A 54 3.658 -5.974 -2.635 1.00 0.00 C ATOM 826 CE1 PHE A 54 4.543 -4.413 -4.733 1.00 0.00 C ATOM 827 CE2 PHE A 54 3.099 -6.120 -3.888 1.00 0.00 C ATOM 828 CZ PHE A 54 3.544 -5.341 -4.939 1.00 0.00 C ATOM 0 H PHE A 54 6.016 -2.469 -1.641 1.00 0.00 H new ATOM 0 HA PHE A 54 3.754 -3.633 -0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.353 -4.890 -1.136 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.994 -5.744 -0.433 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.884 -3.547 -3.324 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.307 -6.587 -1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.889 -3.799 -5.551 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.313 -6.844 -4.047 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.110 -5.459 -5.921 1.00 0.00 H new ATOM 838 N CYS A 55 4.881 -4.042 2.030 1.00 0.00 N ATOM 839 CA CYS A 55 5.466 -4.052 3.364 1.00 0.00 C ATOM 840 C CYS A 55 6.630 -5.037 3.381 1.00 0.00 C ATOM 841 O CYS A 55 6.659 -5.956 2.567 1.00 0.00 O ATOM 842 CB CYS A 55 4.426 -4.454 4.418 1.00 0.00 C ATOM 843 SG CYS A 55 3.397 -3.081 5.043 1.00 0.00 S ATOM 0 H CYS A 55 3.958 -4.472 1.969 1.00 0.00 H new ATOM 0 HA CYS A 55 5.818 -3.049 3.606 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.772 -5.214 3.991 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.942 -4.915 5.260 1.00 0.00 H new ATOM 848 N PRO A 56 7.608 -4.859 4.287 1.00 0.00 N ATOM 849 CA PRO A 56 8.769 -5.752 4.366 1.00 0.00 C ATOM 850 C PRO A 56 8.388 -7.206 4.645 1.00 0.00 C ATOM 851 O PRO A 56 8.267 -7.619 5.803 1.00 0.00 O ATOM 852 CB PRO A 56 9.595 -5.189 5.525 1.00 0.00 C ATOM 853 CG PRO A 56 8.667 -4.308 6.288 1.00 0.00 C ATOM 854 CD PRO A 56 7.676 -3.782 5.288 1.00 0.00 C ATOM 0 HA PRO A 56 9.305 -5.779 3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.982 -5.989 6.155 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.454 -4.628 5.158 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.164 -4.864 7.080 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.209 -3.492 6.766 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.704 -3.594 5.744 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.008 -2.842 4.847 1.00 0.00 H new ATOM 862 N HIS A 57 8.210 -7.976 3.575 1.00 0.00 N ATOM 863 CA HIS A 57 7.857 -9.387 3.683 1.00 0.00 C ATOM 864 C HIS A 57 9.056 -10.254 3.304 1.00 0.00 C ATOM 865 O HIS A 57 10.203 -9.856 3.513 1.00 0.00 O ATOM 866 CB HIS A 57 6.623 -9.723 2.811 1.00 0.00 C ATOM 867 CG HIS A 57 6.688 -9.240 1.384 1.00 0.00 C ATOM 868 ND1 HIS A 57 7.670 -9.626 0.494 1.00 0.00 N ATOM 869 CD2 HIS A 57 5.867 -8.412 0.689 1.00 0.00 C ATOM 870 CE1 HIS A 57 7.452 -9.059 -0.678 1.00 0.00 C ATOM 871 NE2 HIS A 57 6.364 -8.319 -0.587 1.00 0.00 N ATOM 0 H HIS A 57 8.306 -7.642 2.616 1.00 0.00 H new ATOM 0 HA HIS A 57 7.588 -9.601 4.718 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.487 -10.805 2.805 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.739 -9.294 3.282 1.00 0.00 H new ATOM 0 HD1 HIS A 57 8.445 -10.253 0.709 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.985 -7.918 1.070 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.061 -9.180 -1.561 1.00 0.00 H new ATOM 879 N GLU A 58 8.801 -11.431 2.746 1.00 0.00 N ATOM 880 CA GLU A 58 9.876 -12.323 2.339 1.00 0.00 C ATOM 881 C GLU A 58 10.353 -11.962 0.931 1.00 0.00 C ATOM 882 O GLU A 58 10.229 -10.811 0.507 1.00 0.00 O ATOM 883 CB GLU A 58 9.420 -13.788 2.413 1.00 0.00 C ATOM 884 CG GLU A 58 8.239 -14.138 1.516 1.00 0.00 C ATOM 885 CD GLU A 58 7.788 -15.562 1.723 1.00 0.00 C ATOM 886 OE1 GLU A 58 7.303 -15.871 2.827 1.00 0.00 O ATOM 887 OE2 GLU A 58 7.943 -16.376 0.796 1.00 0.00 O ATOM 0 H GLU A 58 7.863 -11.788 2.566 1.00 0.00 H new ATOM 0 HA GLU A 58 10.714 -12.202 3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.261 -14.429 2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.155 -14.019 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.411 -13.460 1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.518 -13.992 0.472 1.00 0.00 H new ATOM 894 N ALA A 59 10.899 -12.934 0.213 1.00 0.00 N ATOM 895 CA ALA A 59 11.391 -12.702 -1.138 1.00 0.00 C ATOM 896 C ALA A 59 10.337 -13.070 -2.176 1.00 0.00 C ATOM 897 O ALA A 59 10.611 -12.905 -3.378 1.00 0.00 O ATOM 898 CB ALA A 59 12.669 -13.491 -1.383 1.00 0.00 C ATOM 0 H ALA A 59 11.012 -13.892 0.544 1.00 0.00 H new ATOM 0 HA ALA A 59 11.610 -11.639 -1.237 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.022 -13.306 -2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.432 -13.178 -0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.469 -14.555 -1.257 1.00 0.00 H new TER 904 ALA A 59