USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 449 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 28 LYS NZ :NH3+ -127:sc= 0.459 (180deg=0) USER MOD Set 1.2: A 35 GLN : amide:sc= -1.01 K(o=-0.56,f=-9.4!) USER MOD Single : A 9 THR OG1 : rot -1:sc= 0.477 USER MOD Single : A 10 MET CE :methyl 158:sc= -10.7! (180deg=-14.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.38! K(o=-2.4!,f=0) USER MOD Single : A 21 SER OG : rot -125:sc= -1.8! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -6.96! C(o=-7!,f=-5.3!) USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= -0.292 (180deg=-1.23!) USER MOD Single : A 32 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.34) USER MOD Single : A 42 TYR OH : rot -84:sc= 0.424 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc=-0.00577 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -162:sc= 0.132 USER MOD Single : A 62 GLN : amide:sc= -4.88! C(o=-4.9!,f=-1.6!) USER MOD Single : A 64 SER OG : rot 47:sc= 0.456 USER MOD Single : A 67 ASN : amide:sc= -3.8! C(o=-3.8!,f=-3.9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0831 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 7 4.866 10.017 4.140 1.00 1.21 N ATOM 73 CA GLU A 7 5.074 9.386 2.842 1.00 3.34 C ATOM 74 C GLU A 7 5.306 7.886 2.998 1.00 53.00 C ATOM 75 O GLU A 7 6.279 7.459 3.620 1.00 64.44 O ATOM 76 CB GLU A 7 6.262 10.026 2.123 1.00 52.53 C ATOM 77 CG GLU A 7 6.229 11.545 2.124 1.00 53.41 C ATOM 78 CD GLU A 7 7.556 12.158 2.528 1.00 40.33 C ATOM 79 OE1 GLU A 7 7.813 12.270 3.745 1.00 75.41 O ATOM 80 OE2 GLU A 7 8.338 12.526 1.626 1.00 70.12 O ATOM 0 HA GLU A 7 4.175 9.537 2.245 1.00 3.34 H new ATOM 0 HB2 GLU A 7 7.185 9.691 2.596 1.00 52.53 H new ATOM 0 HB3 GLU A 7 6.285 9.672 1.092 1.00 52.53 H new ATOM 0 HG2 GLU A 7 5.957 11.899 1.130 1.00 53.41 H new ATOM 0 HG3 GLU A 7 5.452 11.887 2.808 1.00 53.41 H new ATOM 85 N VAL A 8 4.407 7.091 2.427 1.00 3.45 N ATOM 86 CA VAL A 8 4.513 5.639 2.500 1.00 53.13 C ATOM 87 C VAL A 8 5.018 5.057 1.185 1.00 73.03 C ATOM 88 O VAL A 8 4.504 5.378 0.113 1.00 54.35 O ATOM 89 CB VAL A 8 3.158 4.993 2.847 1.00 51.31 C ATOM 90 CG1 VAL A 8 2.086 5.444 1.868 1.00 0.24 C ATOM 91 CG2 VAL A 8 3.278 3.478 2.860 1.00 35.43 C ATOM 0 H VAL A 8 3.596 7.429 1.908 1.00 3.45 H new ATOM 0 HA VAL A 8 5.228 5.415 3.292 1.00 53.13 H new ATOM 0 HB VAL A 8 2.864 5.319 3.845 1.00 51.31 H new ATOM 0 HG11 VAL A 8 1.136 4.978 2.129 1.00 0.24 H new ATOM 0 HG12 VAL A 8 1.983 6.528 1.915 1.00 0.24 H new ATOM 0 HG13 VAL A 8 2.369 5.150 0.857 1.00 0.24 H new ATOM 0 HG21 VAL A 8 2.312 3.039 3.107 1.00 35.43 H new ATOM 0 HG22 VAL A 8 3.594 3.130 1.877 1.00 35.43 H new ATOM 0 HG23 VAL A 8 4.014 3.178 3.606 1.00 35.43 H new ATOM 101 N THR A 9 6.030 4.199 1.274 1.00 14.11 N ATOM 102 CA THR A 9 6.606 3.572 0.091 1.00 72.23 C ATOM 103 C THR A 9 6.634 2.055 0.231 1.00 62.52 C ATOM 104 O THR A 9 7.160 1.521 1.206 1.00 51.45 O ATOM 105 CB THR A 9 8.038 4.078 -0.172 1.00 23.42 C ATOM 106 OG1 THR A 9 8.955 3.438 0.722 1.00 61.43 O ATOM 107 CG2 THR A 9 8.119 5.586 0.004 1.00 43.43 C ATOM 0 H THR A 9 6.467 3.923 2.153 1.00 14.11 H new ATOM 0 HA THR A 9 5.971 3.845 -0.752 1.00 72.23 H new ATOM 0 HB THR A 9 8.304 3.833 -1.200 1.00 23.42 H new ATOM 0 HG1 THR A 9 8.465 2.828 1.312 1.00 61.43 H new ATOM 0 HG21 THR A 9 9.139 5.920 -0.187 1.00 43.43 H new ATOM 0 HG22 THR A 9 7.441 6.071 -0.698 1.00 43.43 H new ATOM 0 HG23 THR A 9 7.835 5.849 1.023 1.00 43.43 H new ATOM 115 N MET A 10 6.063 1.364 -0.750 1.00 2.14 N ATOM 116 CA MET A 10 6.024 -0.093 -0.737 1.00 73.33 C ATOM 117 C MET A 10 7.290 -0.677 -1.357 1.00 4.04 C ATOM 118 O MET A 10 7.774 -0.190 -2.379 1.00 12.35 O ATOM 119 CB MET A 10 4.793 -0.600 -1.491 1.00 44.04 C ATOM 120 CG MET A 10 3.477 -0.216 -0.832 1.00 70.25 C ATOM 121 SD MET A 10 2.082 -0.292 -1.971 1.00 40.40 S ATOM 122 CE MET A 10 2.719 -1.414 -3.212 1.00 32.32 C ATOM 0 H MET A 10 5.621 1.790 -1.564 1.00 2.14 H new ATOM 0 HA MET A 10 5.965 -0.419 0.301 1.00 73.33 H new ATOM 0 HB2 MET A 10 4.811 -0.205 -2.507 1.00 44.04 H new ATOM 0 HB3 MET A 10 4.847 -1.686 -1.571 1.00 44.04 H new ATOM 0 HG2 MET A 10 3.290 -0.881 0.011 1.00 70.25 H new ATOM 0 HG3 MET A 10 3.558 0.794 -0.429 1.00 70.25 H new ATOM 0 HE1 MET A 10 1.889 -1.866 -3.754 1.00 32.32 H new ATOM 0 HE2 MET A 10 3.351 -0.864 -3.909 1.00 32.32 H new ATOM 0 HE3 MET A 10 3.306 -2.195 -2.729 1.00 32.32 H new ATOM 130 N LYS A 11 7.821 -1.723 -0.733 1.00 22.14 N ATOM 131 CA LYS A 11 9.030 -2.374 -1.225 1.00 70.43 C ATOM 132 C LYS A 11 8.734 -3.801 -1.678 1.00 64.13 C ATOM 133 O LYS A 11 7.978 -4.525 -1.029 1.00 2.25 O ATOM 134 CB LYS A 11 10.106 -2.385 -0.136 1.00 32.42 C ATOM 135 CG LYS A 11 11.458 -2.874 -0.624 1.00 34.42 C ATOM 136 CD LYS A 11 12.374 -3.228 0.535 1.00 74.22 C ATOM 137 CE LYS A 11 13.785 -3.535 0.057 1.00 72.23 C ATOM 138 NZ LYS A 11 14.598 -2.299 -0.104 1.00 2.44 N ATOM 0 H LYS A 11 7.433 -2.138 0.114 1.00 22.14 H new ATOM 0 HA LYS A 11 9.395 -1.808 -2.082 1.00 70.43 H new ATOM 0 HB2 LYS A 11 10.216 -1.377 0.265 1.00 32.42 H new ATOM 0 HB3 LYS A 11 9.774 -3.020 0.685 1.00 32.42 H new ATOM 0 HG2 LYS A 11 11.322 -3.748 -1.261 1.00 34.42 H new ATOM 0 HG3 LYS A 11 11.926 -2.103 -1.236 1.00 34.42 H new ATOM 0 HD2 LYS A 11 12.401 -2.401 1.244 1.00 74.22 H new ATOM 0 HD3 LYS A 11 11.973 -4.091 1.067 1.00 74.22 H new ATOM 0 HE2 LYS A 11 14.273 -4.200 0.769 1.00 72.23 H new ATOM 0 HE3 LYS A 11 13.739 -4.065 -0.894 1.00 72.23 H new ATOM 0 HZ1 LYS A 11 15.552 -2.551 -0.431 1.00 2.44 H new ATOM 0 HZ2 LYS A 11 14.146 -1.675 -0.803 1.00 2.44 H new ATOM 0 HZ3 LYS A 11 14.664 -1.806 0.809 1.00 2.44 H new ATOM 148 N LYS A 12 9.336 -4.199 -2.793 1.00 62.44 N ATOM 149 CA LYS A 12 9.140 -5.540 -3.331 1.00 33.31 C ATOM 150 C LYS A 12 9.585 -6.600 -2.328 1.00 54.14 C ATOM 151 O LYS A 12 10.775 -6.736 -2.043 1.00 64.44 O ATOM 152 CB LYS A 12 9.914 -5.705 -4.641 1.00 3.32 C ATOM 153 CG LYS A 12 9.438 -6.873 -5.486 1.00 61.43 C ATOM 154 CD LYS A 12 9.426 -6.523 -6.964 1.00 32.42 C ATOM 155 CE LYS A 12 10.732 -6.909 -7.640 1.00 35.20 C ATOM 156 NZ LYS A 12 11.173 -5.882 -8.624 1.00 31.52 N ATOM 0 H LYS A 12 9.964 -3.612 -3.342 1.00 62.44 H new ATOM 0 HA LYS A 12 8.076 -5.674 -3.526 1.00 33.31 H new ATOM 0 HB2 LYS A 12 9.827 -4.787 -5.223 1.00 3.32 H new ATOM 0 HB3 LYS A 12 10.972 -5.839 -4.414 1.00 3.32 H new ATOM 0 HG2 LYS A 12 10.088 -7.732 -5.320 1.00 61.43 H new ATOM 0 HG3 LYS A 12 8.436 -7.166 -5.172 1.00 61.43 H new ATOM 0 HD2 LYS A 12 8.597 -7.035 -7.453 1.00 32.42 H new ATOM 0 HD3 LYS A 12 9.256 -5.453 -7.084 1.00 32.42 H new ATOM 0 HE2 LYS A 12 11.506 -7.044 -6.884 1.00 35.20 H new ATOM 0 HE3 LYS A 12 10.610 -7.867 -8.145 1.00 35.20 H new ATOM 0 HZ1 LYS A 12 12.067 -6.183 -9.063 1.00 31.52 H new ATOM 0 HZ2 LYS A 12 10.446 -5.771 -9.360 1.00 31.52 H new ATOM 0 HZ3 LYS A 12 11.315 -4.974 -8.138 1.00 31.52 H new ATOM 166 N GLY A 13 8.624 -7.349 -1.798 1.00 40.20 N ATOM 167 CA GLY A 13 8.938 -8.388 -0.834 1.00 2.23 C ATOM 168 C GLY A 13 8.814 -7.907 0.598 1.00 3.34 C ATOM 169 O GLY A 13 9.449 -8.451 1.500 1.00 75.54 O ATOM 0 H GLY A 13 7.633 -7.255 -2.019 1.00 40.20 H new ATOM 0 HA2 GLY A 13 8.271 -9.236 -0.988 1.00 2.23 H new ATOM 0 HA3 GLY A 13 9.953 -8.745 -1.007 1.00 2.23 H new ATOM 173 N ASP A 14 7.995 -6.881 0.806 1.00 71.05 N ATOM 174 CA ASP A 14 7.791 -6.326 2.140 1.00 11.01 C ATOM 175 C ASP A 14 6.355 -6.547 2.606 1.00 14.23 C ATOM 176 O ASP A 14 5.447 -6.720 1.792 1.00 35.42 O ATOM 177 CB ASP A 14 8.119 -4.832 2.149 1.00 61.10 C ATOM 178 CG ASP A 14 8.964 -4.432 3.342 1.00 51.20 C ATOM 179 OD1 ASP A 14 10.134 -4.863 3.412 1.00 53.31 O ATOM 180 OD2 ASP A 14 8.455 -3.688 4.206 1.00 5.40 O ATOM 0 H ASP A 14 7.463 -6.418 0.070 1.00 71.05 H new ATOM 0 HA ASP A 14 8.461 -6.841 2.828 1.00 11.01 H new ATOM 0 HB2 ASP A 14 8.646 -4.573 1.231 1.00 61.10 H new ATOM 0 HB3 ASP A 14 7.192 -4.259 2.156 1.00 61.10 H new ATOM 184 N ILE A 15 6.157 -6.540 3.919 1.00 54.15 N ATOM 185 CA ILE A 15 4.832 -6.740 4.493 1.00 14.41 C ATOM 186 C ILE A 15 4.293 -5.446 5.095 1.00 30.54 C ATOM 187 O ILE A 15 4.790 -4.968 6.115 1.00 71.05 O ATOM 188 CB ILE A 15 4.848 -7.831 5.580 1.00 51.44 C ATOM 189 CG1 ILE A 15 5.486 -9.112 5.039 1.00 52.33 C ATOM 190 CG2 ILE A 15 3.436 -8.104 6.076 1.00 72.13 C ATOM 191 CD1 ILE A 15 5.958 -10.056 6.122 1.00 12.30 C ATOM 0 H ILE A 15 6.897 -6.398 4.606 1.00 54.15 H new ATOM 0 HA ILE A 15 4.180 -7.059 3.679 1.00 14.41 H new ATOM 0 HB ILE A 15 5.446 -7.478 6.420 1.00 51.44 H new ATOM 0 HG12 ILE A 15 4.764 -9.629 4.407 1.00 52.33 H new ATOM 0 HG13 ILE A 15 6.332 -8.847 4.405 1.00 52.33 H new ATOM 0 HG21 ILE A 15 3.463 -8.877 6.844 1.00 72.13 H new ATOM 0 HG22 ILE A 15 3.015 -7.190 6.496 1.00 72.13 H new ATOM 0 HG23 ILE A 15 2.817 -8.440 5.244 1.00 72.13 H new ATOM 0 HD11 ILE A 15 6.399 -10.942 5.665 1.00 12.30 H new ATOM 0 HD12 ILE A 15 6.704 -9.557 6.740 1.00 12.30 H new ATOM 0 HD13 ILE A 15 5.111 -10.351 6.742 1.00 12.30 H new ATOM 202 N LEU A 16 3.272 -4.884 4.456 1.00 61.25 N ATOM 203 CA LEU A 16 2.663 -3.646 4.928 1.00 62.35 C ATOM 204 C LEU A 16 1.243 -3.894 5.427 1.00 24.53 C ATOM 205 O LEU A 16 0.438 -4.534 4.750 1.00 64.20 O ATOM 206 CB LEU A 16 2.648 -2.602 3.811 1.00 34.44 C ATOM 207 CG LEU A 16 3.772 -2.709 2.778 1.00 60.13 C ATOM 208 CD1 LEU A 16 3.242 -3.271 1.468 1.00 64.34 C ATOM 209 CD2 LEU A 16 4.420 -1.351 2.554 1.00 14.52 C ATOM 0 H LEU A 16 2.849 -5.266 3.610 1.00 61.25 H new ATOM 0 HA LEU A 16 3.261 -3.270 5.759 1.00 62.35 H new ATOM 0 HB2 LEU A 16 1.694 -2.671 3.289 1.00 34.44 H new ATOM 0 HB3 LEU A 16 2.692 -1.612 4.265 1.00 34.44 H new ATOM 0 HG LEU A 16 4.529 -3.392 3.162 1.00 60.13 H new ATOM 0 HD11 LEU A 16 4.056 -3.340 0.746 1.00 64.34 H new ATOM 0 HD12 LEU A 16 2.825 -4.263 1.640 1.00 64.34 H new ATOM 0 HD13 LEU A 16 2.465 -2.613 1.078 1.00 64.34 H new ATOM 0 HD21 LEU A 16 5.217 -1.445 1.817 1.00 14.52 H new ATOM 0 HD22 LEU A 16 3.672 -0.646 2.191 1.00 14.52 H new ATOM 0 HD23 LEU A 16 4.836 -0.987 3.493 1.00 14.52 H new ATOM 220 N THR A 17 0.940 -3.380 6.616 1.00 32.14 N ATOM 221 CA THR A 17 -0.383 -3.545 7.204 1.00 44.42 C ATOM 222 C THR A 17 -1.478 -3.304 6.172 1.00 74.53 C ATOM 223 O THR A 17 -1.455 -2.309 5.447 1.00 13.00 O ATOM 224 CB THR A 17 -0.592 -2.585 8.391 1.00 23.12 C ATOM 225 OG1 THR A 17 0.397 -2.827 9.398 1.00 14.34 O ATOM 226 CG2 THR A 17 -1.982 -2.757 8.988 1.00 34.15 C ATOM 0 H THR A 17 1.593 -2.846 7.190 1.00 32.14 H new ATOM 0 HA THR A 17 -0.445 -4.573 7.561 1.00 44.42 H new ATOM 0 HB THR A 17 -0.494 -1.563 8.024 1.00 23.12 H new ATOM 0 HG1 THR A 17 0.258 -2.211 10.148 1.00 14.34 H new ATOM 0 HG21 THR A 17 -2.106 -2.069 9.824 1.00 34.15 H new ATOM 0 HG22 THR A 17 -2.733 -2.544 8.228 1.00 34.15 H new ATOM 0 HG23 THR A 17 -2.103 -3.782 9.340 1.00 34.15 H new ATOM 234 N LEU A 18 -2.437 -4.221 6.110 1.00 24.32 N ATOM 235 CA LEU A 18 -3.544 -4.109 5.166 1.00 1.03 C ATOM 236 C LEU A 18 -4.530 -3.032 5.608 1.00 14.02 C ATOM 237 O LEU A 18 -5.698 -3.318 5.876 1.00 62.34 O ATOM 238 CB LEU A 18 -4.264 -5.452 5.030 1.00 51.34 C ATOM 239 CG LEU A 18 -5.208 -5.590 3.835 1.00 43.54 C ATOM 240 CD1 LEU A 18 -6.637 -5.271 4.245 1.00 5.44 C ATOM 241 CD2 LEU A 18 -4.762 -4.685 2.696 1.00 4.10 C ATOM 0 H LEU A 18 -2.471 -5.051 6.702 1.00 24.32 H new ATOM 0 HA LEU A 18 -3.134 -3.825 4.197 1.00 1.03 H new ATOM 0 HB2 LEU A 18 -3.513 -6.239 4.967 1.00 51.34 H new ATOM 0 HB3 LEU A 18 -4.835 -5.629 5.941 1.00 51.34 H new ATOM 0 HG LEU A 18 -5.174 -6.622 3.486 1.00 43.54 H new ATOM 0 HD11 LEU A 18 -7.295 -5.374 3.382 1.00 5.44 H new ATOM 0 HD12 LEU A 18 -6.954 -5.961 5.027 1.00 5.44 H new ATOM 0 HD13 LEU A 18 -6.688 -4.249 4.620 1.00 5.44 H new ATOM 0 HD21 LEU A 18 -5.445 -4.796 1.854 1.00 4.10 H new ATOM 0 HD22 LEU A 18 -4.766 -3.648 3.032 1.00 4.10 H new ATOM 0 HD23 LEU A 18 -3.755 -4.961 2.385 1.00 4.10 H new ATOM 252 N LEU A 19 -4.053 -1.795 5.679 1.00 21.13 N ATOM 253 CA LEU A 19 -4.894 -0.674 6.087 1.00 1.04 C ATOM 254 C LEU A 19 -6.191 -0.646 5.284 1.00 60.32 C ATOM 255 O LEU A 19 -6.445 -1.528 4.466 1.00 31.04 O ATOM 256 CB LEU A 19 -4.141 0.645 5.905 1.00 44.52 C ATOM 257 CG LEU A 19 -3.351 1.138 7.118 1.00 54.42 C ATOM 258 CD1 LEU A 19 -2.483 0.022 7.680 1.00 10.04 C ATOM 259 CD2 LEU A 19 -2.497 2.342 6.745 1.00 22.34 C ATOM 0 H LEU A 19 -3.089 -1.542 5.460 1.00 21.13 H new ATOM 0 HA LEU A 19 -5.143 -0.802 7.140 1.00 1.04 H new ATOM 0 HB2 LEU A 19 -3.452 0.535 5.068 1.00 44.52 H new ATOM 0 HB3 LEU A 19 -4.860 1.416 5.627 1.00 44.52 H new ATOM 0 HG LEU A 19 -4.059 1.443 7.888 1.00 54.42 H new ATOM 0 HD11 LEU A 19 -1.928 0.392 8.542 1.00 10.04 H new ATOM 0 HD12 LEU A 19 -3.115 -0.812 7.985 1.00 10.04 H new ATOM 0 HD13 LEU A 19 -1.783 -0.314 6.915 1.00 10.04 H new ATOM 0 HD21 LEU A 19 -1.942 2.679 7.620 1.00 22.34 H new ATOM 0 HD22 LEU A 19 -1.798 2.062 5.957 1.00 22.34 H new ATOM 0 HD23 LEU A 19 -3.139 3.148 6.390 1.00 22.34 H new ATOM 270 N ASN A 20 -7.008 0.374 5.526 1.00 31.31 N ATOM 271 CA ASN A 20 -8.279 0.517 4.825 1.00 1.34 C ATOM 272 C ASN A 20 -8.117 0.218 3.338 1.00 31.14 C ATOM 273 O ASN A 20 -7.646 1.059 2.572 1.00 2.24 O ATOM 274 CB ASN A 20 -8.833 1.931 5.014 1.00 3.10 C ATOM 275 CG ASN A 20 -10.272 1.929 5.494 1.00 12.51 C ATOM 276 OD1 ASN A 20 -10.541 2.106 6.682 1.00 61.11 O ATOM 277 ND2 ASN A 20 -11.203 1.728 4.569 1.00 44.14 N ATOM 0 H ASN A 20 -6.813 1.113 6.201 1.00 31.31 H new ATOM 0 HA ASN A 20 -8.981 -0.201 5.248 1.00 1.34 H new ATOM 0 HB2 ASN A 20 -8.214 2.468 5.733 1.00 3.10 H new ATOM 0 HB3 ASN A 20 -8.768 2.473 4.070 1.00 3.10 H new ATOM 0 HD21 ASN A 20 -12.189 1.716 4.832 1.00 44.14 H new ATOM 0 HD22 ASN A 20 -10.933 1.586 3.596 1.00 44.14 H new ATOM 283 N SER A 21 -8.510 -0.986 2.936 1.00 25.53 N ATOM 284 CA SER A 21 -8.406 -1.399 1.541 1.00 20.41 C ATOM 285 C SER A 21 -9.739 -1.221 0.821 1.00 35.24 C ATOM 286 O SER A 21 -10.039 -1.930 -0.142 1.00 52.24 O ATOM 287 CB SER A 21 -7.955 -2.858 1.451 1.00 65.52 C ATOM 288 OG SER A 21 -6.543 -2.954 1.391 1.00 1.53 O ATOM 0 H SER A 21 -8.904 -1.693 3.557 1.00 25.53 H new ATOM 0 HA SER A 21 -7.663 -0.766 1.055 1.00 20.41 H new ATOM 0 HB2 SER A 21 -8.323 -3.409 2.316 1.00 65.52 H new ATOM 0 HB3 SER A 21 -8.392 -3.323 0.567 1.00 65.52 H new ATOM 0 HG SER A 21 -6.283 -3.463 0.595 1.00 1.53 H new ATOM 293 N THR A 22 -10.538 -0.270 1.293 1.00 41.51 N ATOM 294 CA THR A 22 -11.839 0.003 0.697 1.00 72.51 C ATOM 295 C THR A 22 -11.721 0.213 -0.808 1.00 22.22 C ATOM 296 O THR A 22 -12.366 -0.480 -1.593 1.00 21.44 O ATOM 297 CB THR A 22 -12.498 1.244 1.327 1.00 30.10 C ATOM 298 OG1 THR A 22 -13.617 1.659 0.535 1.00 41.54 O ATOM 299 CG2 THR A 22 -11.500 2.385 1.443 1.00 45.54 C ATOM 0 H THR A 22 -10.306 0.325 2.088 1.00 41.51 H new ATOM 0 HA THR A 22 -12.464 -0.868 0.892 1.00 72.51 H new ATOM 0 HB THR A 22 -12.840 0.979 2.327 1.00 30.10 H new ATOM 0 HG1 THR A 22 -14.032 2.448 0.943 1.00 41.54 H new ATOM 0 HG21 THR A 22 -11.988 3.251 1.891 1.00 45.54 H new ATOM 0 HG22 THR A 22 -10.664 2.075 2.070 1.00 45.54 H new ATOM 0 HG23 THR A 22 -11.132 2.648 0.452 1.00 45.54 H new ATOM 307 N ASN A 23 -10.892 1.173 -1.204 1.00 53.20 N ATOM 308 CA ASN A 23 -10.689 1.474 -2.616 1.00 13.35 C ATOM 309 C ASN A 23 -10.225 0.235 -3.375 1.00 24.54 C ATOM 310 O ASN A 23 -9.098 -0.228 -3.203 1.00 4.02 O ATOM 311 CB ASN A 23 -9.663 2.597 -2.777 1.00 12.30 C ATOM 312 CG ASN A 23 -10.260 3.840 -3.410 1.00 73.12 C ATOM 313 OD1 ASN A 23 -11.012 4.575 -2.770 1.00 72.43 O ATOM 314 ND2 ASN A 23 -9.927 4.079 -4.672 1.00 10.40 N ATOM 0 H ASN A 23 -10.350 1.756 -0.567 1.00 53.20 H new ATOM 0 HA ASN A 23 -11.642 1.799 -3.033 1.00 13.35 H new ATOM 0 HB2 ASN A 23 -9.251 2.852 -1.800 1.00 12.30 H new ATOM 0 HB3 ASN A 23 -8.834 2.243 -3.390 1.00 12.30 H new ATOM 0 HD21 ASN A 23 -10.298 4.900 -5.151 1.00 10.40 H new ATOM 0 HD22 ASN A 23 -9.300 3.442 -5.163 1.00 10.40 H new ATOM 320 N LYS A 24 -11.104 -0.299 -4.218 1.00 0.22 N ATOM 321 CA LYS A 24 -10.787 -1.483 -5.007 1.00 72.32 C ATOM 322 C LYS A 24 -9.595 -1.224 -5.923 1.00 62.13 C ATOM 323 O LYS A 24 -8.839 -2.140 -6.247 1.00 25.14 O ATOM 324 CB LYS A 24 -12.000 -1.908 -5.838 1.00 41.52 C ATOM 325 CG LYS A 24 -12.260 -1.010 -7.035 1.00 23.30 C ATOM 326 CD LYS A 24 -13.142 0.171 -6.665 1.00 33.20 C ATOM 327 CE LYS A 24 -14.218 0.414 -7.712 1.00 13.04 C ATOM 328 NZ LYS A 24 -15.023 -0.811 -7.975 1.00 60.20 N ATOM 0 H LYS A 24 -12.042 0.071 -4.372 1.00 0.22 H new ATOM 0 HA LYS A 24 -10.526 -2.287 -4.319 1.00 72.32 H new ATOM 0 HB2 LYS A 24 -11.852 -2.930 -6.186 1.00 41.52 H new ATOM 0 HB3 LYS A 24 -12.884 -1.914 -5.200 1.00 41.52 H new ATOM 0 HG2 LYS A 24 -11.312 -0.647 -7.431 1.00 23.30 H new ATOM 0 HG3 LYS A 24 -12.737 -1.587 -7.827 1.00 23.30 H new ATOM 0 HD2 LYS A 24 -13.609 -0.012 -5.697 1.00 33.20 H new ATOM 0 HD3 LYS A 24 -12.528 1.065 -6.559 1.00 33.20 H new ATOM 0 HE2 LYS A 24 -14.876 1.216 -7.377 1.00 13.04 H new ATOM 0 HE3 LYS A 24 -13.753 0.749 -8.639 1.00 13.04 H new ATOM 0 HZ1 LYS A 24 -16.001 -0.541 -8.203 1.00 60.20 H new ATOM 0 HZ2 LYS A 24 -14.611 -1.332 -8.776 1.00 60.20 H new ATOM 0 HZ3 LYS A 24 -15.019 -1.417 -7.130 1.00 60.20 H new ATOM 338 N ASP A 25 -9.432 0.028 -6.334 1.00 30.13 N ATOM 339 CA ASP A 25 -8.331 0.409 -7.210 1.00 75.41 C ATOM 340 C ASP A 25 -7.148 0.930 -6.401 1.00 15.31 C ATOM 341 O ASP A 25 -6.111 1.290 -6.959 1.00 25.23 O ATOM 342 CB ASP A 25 -8.789 1.471 -8.210 1.00 31.11 C ATOM 343 CG ASP A 25 -10.039 1.058 -8.961 1.00 2.23 C ATOM 344 OD1 ASP A 25 -10.050 -0.055 -9.527 1.00 64.43 O ATOM 345 OD2 ASP A 25 -11.006 1.849 -8.985 1.00 32.45 O ATOM 0 H ASP A 25 -10.049 0.797 -6.074 1.00 30.13 H new ATOM 0 HA ASP A 25 -8.011 -0.478 -7.757 1.00 75.41 H new ATOM 0 HB2 ASP A 25 -8.978 2.406 -7.682 1.00 31.11 H new ATOM 0 HB3 ASP A 25 -7.987 1.664 -8.923 1.00 31.11 H new ATOM 349 N TRP A 26 -7.310 0.969 -5.084 1.00 73.25 N ATOM 350 CA TRP A 26 -6.256 1.448 -4.197 1.00 61.15 C ATOM 351 C TRP A 26 -6.431 0.887 -2.790 1.00 41.32 C ATOM 352 O TRP A 26 -7.442 1.137 -2.134 1.00 13.23 O ATOM 353 CB TRP A 26 -6.253 2.977 -4.154 1.00 70.04 C ATOM 354 CG TRP A 26 -5.838 3.607 -5.449 1.00 52.01 C ATOM 355 CD1 TRP A 26 -6.615 3.793 -6.556 1.00 64.21 C ATOM 356 CD2 TRP A 26 -4.545 4.132 -5.770 1.00 1.32 C ATOM 357 NE1 TRP A 26 -5.883 4.402 -7.547 1.00 44.40 N ATOM 358 CE2 TRP A 26 -4.611 4.622 -7.089 1.00 30.20 C ATOM 359 CE3 TRP A 26 -3.340 4.238 -5.072 1.00 33.03 C ATOM 360 CZ2 TRP A 26 -3.517 5.206 -7.721 1.00 34.24 C ATOM 361 CZ3 TRP A 26 -2.254 4.818 -5.702 1.00 44.55 C ATOM 362 CH2 TRP A 26 -2.348 5.297 -7.014 1.00 24.43 C ATOM 0 H TRP A 26 -8.162 0.675 -4.606 1.00 73.25 H new ATOM 0 HA TRP A 26 -5.300 1.101 -4.589 1.00 61.15 H new ATOM 0 HB2 TRP A 26 -7.251 3.328 -3.891 1.00 70.04 H new ATOM 0 HB3 TRP A 26 -5.580 3.310 -3.364 1.00 70.04 H new ATOM 0 HD1 TRP A 26 -7.652 3.504 -6.641 1.00 64.21 H new ATOM 0 HE1 TRP A 26 -6.231 4.650 -8.473 1.00 44.40 H new ATOM 0 HE3 TRP A 26 -3.258 3.874 -4.059 1.00 33.03 H new ATOM 0 HZ2 TRP A 26 -3.588 5.575 -8.734 1.00 34.24 H new ATOM 0 HZ3 TRP A 26 -1.317 4.903 -5.172 1.00 44.55 H new ATOM 0 HH2 TRP A 26 -1.482 5.747 -7.477 1.00 24.43 H new ATOM 372 N TRP A 27 -5.440 0.129 -2.333 1.00 4.11 N ATOM 373 CA TRP A 27 -5.487 -0.466 -1.002 1.00 75.23 C ATOM 374 C TRP A 27 -4.532 0.249 -0.052 1.00 70.24 C ATOM 375 O TRP A 27 -3.316 0.229 -0.246 1.00 64.33 O ATOM 376 CB TRP A 27 -5.135 -1.954 -1.074 1.00 51.54 C ATOM 377 CG TRP A 27 -6.332 -2.840 -1.244 1.00 3.42 C ATOM 378 CD1 TRP A 27 -7.588 -2.456 -1.620 1.00 32.44 C ATOM 379 CD2 TRP A 27 -6.386 -4.255 -1.041 1.00 34.43 C ATOM 380 NE1 TRP A 27 -8.419 -3.551 -1.665 1.00 50.52 N ATOM 381 CE2 TRP A 27 -7.706 -4.666 -1.315 1.00 53.25 C ATOM 382 CE3 TRP A 27 -5.447 -5.217 -0.658 1.00 54.43 C ATOM 383 CZ2 TRP A 27 -8.107 -5.995 -1.215 1.00 42.04 C ATOM 384 CZ3 TRP A 27 -5.847 -6.536 -0.559 1.00 4.20 C ATOM 385 CH2 TRP A 27 -7.167 -6.915 -0.837 1.00 74.45 C ATOM 0 H TRP A 27 -4.596 -0.088 -2.863 1.00 4.11 H new ATOM 0 HA TRP A 27 -6.501 -0.357 -0.618 1.00 75.23 H new ATOM 0 HB2 TRP A 27 -4.449 -2.118 -1.905 1.00 51.54 H new ATOM 0 HB3 TRP A 27 -4.607 -2.240 -0.164 1.00 51.54 H new ATOM 0 HD1 TRP A 27 -7.884 -1.443 -1.848 1.00 32.44 H new ATOM 0 HE1 TRP A 27 -9.407 -3.535 -1.918 1.00 50.52 H new ATOM 0 HE3 TRP A 27 -4.427 -4.934 -0.443 1.00 54.43 H new ATOM 0 HZ2 TRP A 27 -9.124 -6.290 -1.428 1.00 42.04 H new ATOM 0 HZ3 TRP A 27 -5.130 -7.287 -0.262 1.00 4.20 H new ATOM 0 HH2 TRP A 27 -7.448 -7.954 -0.751 1.00 74.45 H new ATOM 395 N LYS A 28 -5.090 0.881 0.975 1.00 50.32 N ATOM 396 CA LYS A 28 -4.289 1.602 1.957 1.00 0.13 C ATOM 397 C LYS A 28 -3.403 0.644 2.746 1.00 52.13 C ATOM 398 O LYS A 28 -3.847 -0.426 3.164 1.00 65.40 O ATOM 399 CB LYS A 28 -5.196 2.380 2.913 1.00 15.31 C ATOM 400 CG LYS A 28 -4.577 3.672 3.421 1.00 24.03 C ATOM 401 CD LYS A 28 -5.224 4.127 4.719 1.00 22.34 C ATOM 402 CE LYS A 28 -4.830 5.553 5.068 1.00 1.42 C ATOM 403 NZ LYS A 28 -5.510 6.030 6.304 1.00 0.24 N ATOM 0 H LYS A 28 -6.095 0.908 1.149 1.00 50.32 H new ATOM 0 HA LYS A 28 -3.649 2.303 1.422 1.00 0.13 H new ATOM 0 HB2 LYS A 28 -6.133 2.610 2.405 1.00 15.31 H new ATOM 0 HB3 LYS A 28 -5.442 1.745 3.764 1.00 15.31 H new ATOM 0 HG2 LYS A 28 -3.508 3.528 3.577 1.00 24.03 H new ATOM 0 HG3 LYS A 28 -4.687 4.451 2.666 1.00 24.03 H new ATOM 0 HD2 LYS A 28 -6.308 4.060 4.629 1.00 22.34 H new ATOM 0 HD3 LYS A 28 -4.929 3.459 5.528 1.00 22.34 H new ATOM 0 HE2 LYS A 28 -3.750 5.608 5.203 1.00 1.42 H new ATOM 0 HE3 LYS A 28 -5.081 6.213 4.238 1.00 1.42 H new ATOM 0 HZ1 LYS A 28 -5.991 6.932 6.110 1.00 0.24 H new ATOM 0 HZ2 LYS A 28 -6.209 5.324 6.610 1.00 0.24 H new ATOM 0 HZ3 LYS A 28 -4.806 6.168 7.057 1.00 0.24 H new ATOM 413 N VAL A 29 -2.149 1.034 2.947 1.00 60.15 N ATOM 414 CA VAL A 29 -1.202 0.210 3.689 1.00 52.24 C ATOM 415 C VAL A 29 -0.237 1.072 4.495 1.00 51.40 C ATOM 416 O VAL A 29 0.218 2.116 4.027 1.00 71.33 O ATOM 417 CB VAL A 29 -0.393 -0.702 2.747 1.00 44.15 C ATOM 418 CG1 VAL A 29 -1.322 -1.617 1.963 1.00 53.52 C ATOM 419 CG2 VAL A 29 0.466 0.131 1.809 1.00 32.32 C ATOM 0 H VAL A 29 -1.765 1.915 2.607 1.00 60.15 H new ATOM 0 HA VAL A 29 -1.787 -0.409 4.369 1.00 52.24 H new ATOM 0 HB VAL A 29 0.268 -1.325 3.350 1.00 44.15 H new ATOM 0 HG11 VAL A 29 -0.733 -2.254 1.303 1.00 53.52 H new ATOM 0 HG12 VAL A 29 -1.890 -2.238 2.655 1.00 53.52 H new ATOM 0 HG13 VAL A 29 -2.009 -1.015 1.368 1.00 53.52 H new ATOM 0 HG21 VAL A 29 1.031 -0.529 1.151 1.00 32.32 H new ATOM 0 HG22 VAL A 29 -0.173 0.780 1.211 1.00 32.32 H new ATOM 0 HG23 VAL A 29 1.157 0.740 2.392 1.00 32.32 H new ATOM 429 N GLU A 30 0.071 0.629 5.711 1.00 0.43 N ATOM 430 CA GLU A 30 0.983 1.362 6.582 1.00 61.23 C ATOM 431 C GLU A 30 2.369 0.725 6.577 1.00 53.24 C ATOM 432 O GLU A 30 2.556 -0.378 6.063 1.00 41.01 O ATOM 433 CB GLU A 30 0.434 1.406 8.009 1.00 72.21 C ATOM 434 CG GLU A 30 1.376 2.062 9.004 1.00 34.22 C ATOM 435 CD GLU A 30 0.739 2.265 10.366 1.00 34.22 C ATOM 436 OE1 GLU A 30 -0.505 2.343 10.431 1.00 42.23 O ATOM 437 OE2 GLU A 30 1.485 2.345 11.364 1.00 3.33 O ATOM 0 H GLU A 30 -0.297 -0.232 6.114 1.00 0.43 H new ATOM 0 HA GLU A 30 1.069 2.380 6.202 1.00 61.23 H new ATOM 0 HB2 GLU A 30 -0.513 1.945 8.008 1.00 72.21 H new ATOM 0 HB3 GLU A 30 0.221 0.389 8.339 1.00 72.21 H new ATOM 0 HG2 GLU A 30 2.269 1.447 9.113 1.00 34.22 H new ATOM 0 HG3 GLU A 30 1.699 3.026 8.611 1.00 34.22 H new ATOM 442 N VAL A 31 3.339 1.428 7.155 1.00 72.31 N ATOM 443 CA VAL A 31 4.708 0.932 7.219 1.00 14.04 C ATOM 444 C VAL A 31 5.217 0.906 8.656 1.00 32.31 C ATOM 445 O VAL A 31 5.793 -0.086 9.102 1.00 44.25 O ATOM 446 CB VAL A 31 5.658 1.794 6.366 1.00 11.10 C ATOM 447 CG1 VAL A 31 6.433 0.926 5.386 1.00 41.23 C ATOM 448 CG2 VAL A 31 4.879 2.876 5.631 1.00 72.05 C ATOM 0 H VAL A 31 3.201 2.342 7.585 1.00 72.31 H new ATOM 0 HA VAL A 31 4.695 -0.083 6.822 1.00 14.04 H new ATOM 0 HB VAL A 31 6.374 2.279 7.029 1.00 11.10 H new ATOM 0 HG11 VAL A 31 7.099 1.553 4.792 1.00 41.23 H new ATOM 0 HG12 VAL A 31 7.021 0.192 5.937 1.00 41.23 H new ATOM 0 HG13 VAL A 31 5.735 0.411 4.726 1.00 41.23 H new ATOM 0 HG21 VAL A 31 5.565 3.476 5.033 1.00 72.05 H new ATOM 0 HG22 VAL A 31 4.139 2.412 4.978 1.00 72.05 H new ATOM 0 HG23 VAL A 31 4.374 3.516 6.355 1.00 72.05 H new ATOM 458 N ASN A 32 4.999 2.002 9.375 1.00 65.41 N ATOM 459 CA ASN A 32 5.435 2.104 10.762 1.00 51.25 C ATOM 460 C ASN A 32 5.022 3.444 11.366 1.00 33.45 C ATOM 461 O ASN A 32 4.770 3.544 12.566 1.00 52.25 O ATOM 462 CB ASN A 32 6.953 1.937 10.855 1.00 1.54 C ATOM 463 CG ASN A 32 7.690 3.256 10.719 1.00 21.24 C ATOM 464 OD1 ASN A 32 7.940 3.945 11.708 1.00 51.41 O ATOM 465 ND2 ASN A 32 8.039 3.614 9.488 1.00 50.44 N ATOM 0 H ASN A 32 4.523 2.831 9.020 1.00 65.41 H new ATOM 0 HA ASN A 32 4.953 1.307 11.327 1.00 51.25 H new ATOM 0 HB2 ASN A 32 7.207 1.479 11.811 1.00 1.54 H new ATOM 0 HB3 ASN A 32 7.289 1.254 10.075 1.00 1.54 H new ATOM 0 HD21 ASN A 32 8.535 4.492 9.333 1.00 50.44 H new ATOM 0 HD22 ASN A 32 7.811 3.011 8.698 1.00 50.44 H new ATOM 471 N ASP A 33 4.954 4.469 10.523 1.00 41.32 N ATOM 472 CA ASP A 33 4.570 5.803 10.972 1.00 61.51 C ATOM 473 C ASP A 33 3.734 6.512 9.911 1.00 33.15 C ATOM 474 O ASP A 33 2.811 7.261 10.232 1.00 40.53 O ATOM 475 CB ASP A 33 5.812 6.631 11.300 1.00 31.14 C ATOM 476 CG ASP A 33 5.511 8.114 11.394 1.00 2.32 C ATOM 477 OD1 ASP A 33 4.880 8.530 12.388 1.00 0.13 O ATOM 478 OD2 ASP A 33 5.906 8.859 10.472 1.00 63.33 O ATOM 0 H ASP A 33 5.159 4.402 9.526 1.00 41.32 H new ATOM 0 HA ASP A 33 3.967 5.698 11.874 1.00 61.51 H new ATOM 0 HB2 ASP A 33 6.234 6.288 12.245 1.00 31.14 H new ATOM 0 HB3 ASP A 33 6.569 6.465 10.533 1.00 31.14 H new ATOM 482 N ARG A 34 4.065 6.273 8.646 1.00 63.14 N ATOM 483 CA ARG A 34 3.347 6.891 7.538 1.00 2.22 C ATOM 484 C ARG A 34 2.345 5.916 6.928 1.00 62.42 C ATOM 485 O ARG A 34 2.158 4.808 7.431 1.00 31.11 O ATOM 486 CB ARG A 34 4.330 7.366 6.467 1.00 52.42 C ATOM 487 CG ARG A 34 5.552 8.071 7.032 1.00 42.41 C ATOM 488 CD ARG A 34 6.783 7.827 6.173 1.00 60.33 C ATOM 489 NE ARG A 34 8.012 7.848 6.961 1.00 73.54 N ATOM 490 CZ ARG A 34 9.225 7.711 6.436 1.00 33.31 C ATOM 491 NH1 ARG A 34 9.369 7.545 5.128 1.00 63.14 N ATOM 492 NH2 ARG A 34 10.296 7.740 7.218 1.00 45.23 N ATOM 0 H ARG A 34 4.826 5.656 8.363 1.00 63.14 H new ATOM 0 HA ARG A 34 2.801 7.750 7.926 1.00 2.22 H new ATOM 0 HB2 ARG A 34 4.656 6.508 5.879 1.00 52.42 H new ATOM 0 HB3 ARG A 34 3.813 8.042 5.786 1.00 52.42 H new ATOM 0 HG2 ARG A 34 5.358 9.142 7.096 1.00 42.41 H new ATOM 0 HG3 ARG A 34 5.740 7.719 8.047 1.00 42.41 H new ATOM 0 HD2 ARG A 34 6.690 6.864 5.672 1.00 60.33 H new ATOM 0 HD3 ARG A 34 6.838 8.588 5.394 1.00 60.33 H new ATOM 0 HE ARG A 34 7.935 7.975 7.970 1.00 73.54 H new ATOM 0 HH11 ARG A 34 8.548 7.522 4.523 1.00 63.14 H new ATOM 0 HH12 ARG A 34 10.301 7.440 4.727 1.00 63.14 H new ATOM 0 HH21 ARG A 34 10.189 7.868 8.224 1.00 45.23 H new ATOM 0 HH22 ARG A 34 11.226 7.635 6.813 1.00 45.23 H new ATOM 503 N GLN A 35 1.704 6.336 5.842 1.00 21.01 N ATOM 504 CA GLN A 35 0.721 5.499 5.164 1.00 44.21 C ATOM 505 C GLN A 35 0.062 6.256 4.015 1.00 21.00 C ATOM 506 O GLN A 35 0.496 7.345 3.647 1.00 1.43 O ATOM 507 CB GLN A 35 -0.344 5.023 6.154 1.00 22.21 C ATOM 508 CG GLN A 35 -0.416 5.861 7.420 1.00 52.24 C ATOM 509 CD GLN A 35 -1.833 6.027 7.932 1.00 70.41 C ATOM 510 OE1 GLN A 35 -2.796 5.910 7.175 1.00 24.35 O ATOM 511 NE2 GLN A 35 -1.968 6.299 9.225 1.00 23.14 N ATOM 0 H GLN A 35 1.848 7.250 5.413 1.00 21.01 H new ATOM 0 HA GLN A 35 1.239 4.632 4.754 1.00 44.21 H new ATOM 0 HB2 GLN A 35 -1.317 5.038 5.663 1.00 22.21 H new ATOM 0 HB3 GLN A 35 -0.139 3.987 6.425 1.00 22.21 H new ATOM 0 HG2 GLN A 35 0.193 5.395 8.194 1.00 52.24 H new ATOM 0 HG3 GLN A 35 0.013 6.844 7.225 1.00 52.24 H new ATOM 0 HE21 GLN A 35 -1.142 6.387 9.817 1.00 23.14 H new ATOM 0 HE22 GLN A 35 -2.898 6.419 9.626 1.00 23.14 H new ATOM 518 N GLY A 36 -0.991 5.668 3.452 1.00 50.44 N ATOM 519 CA GLY A 36 -1.692 6.301 2.351 1.00 1.54 C ATOM 520 C GLY A 36 -2.372 5.296 1.443 1.00 33.30 C ATOM 521 O GLY A 36 -2.453 4.112 1.767 1.00 73.53 O ATOM 0 H GLY A 36 -1.370 4.766 3.739 1.00 50.44 H new ATOM 0 HA2 GLY A 36 -2.437 6.991 2.747 1.00 1.54 H new ATOM 0 HA3 GLY A 36 -0.987 6.894 1.768 1.00 1.54 H new ATOM 525 N PHE A 37 -2.864 5.769 0.303 1.00 33.54 N ATOM 526 CA PHE A 37 -3.542 4.904 -0.655 1.00 64.41 C ATOM 527 C PHE A 37 -2.584 4.448 -1.751 1.00 24.22 C ATOM 528 O PHE A 37 -1.966 5.267 -2.431 1.00 45.13 O ATOM 529 CB PHE A 37 -4.737 5.631 -1.274 1.00 13.35 C ATOM 530 CG PHE A 37 -5.891 5.805 -0.329 1.00 74.50 C ATOM 531 CD1 PHE A 37 -6.705 4.731 -0.005 1.00 12.41 C ATOM 532 CD2 PHE A 37 -6.162 7.041 0.235 1.00 22.43 C ATOM 533 CE1 PHE A 37 -7.768 4.887 0.865 1.00 31.33 C ATOM 534 CE2 PHE A 37 -7.223 7.202 1.106 1.00 44.11 C ATOM 535 CZ PHE A 37 -8.028 6.124 1.420 1.00 11.10 C ATOM 0 H PHE A 37 -2.806 6.747 0.020 1.00 33.54 H new ATOM 0 HA PHE A 37 -3.899 4.023 -0.121 1.00 64.41 H new ATOM 0 HB2 PHE A 37 -4.414 6.611 -1.624 1.00 13.35 H new ATOM 0 HB3 PHE A 37 -5.075 5.076 -2.149 1.00 13.35 H new ATOM 0 HD1 PHE A 37 -6.507 3.761 -0.437 1.00 12.41 H new ATOM 0 HD2 PHE A 37 -5.538 7.888 -0.009 1.00 22.43 H new ATOM 0 HE1 PHE A 37 -8.394 4.042 1.110 1.00 31.33 H new ATOM 0 HE2 PHE A 37 -7.423 8.170 1.541 1.00 44.11 H new ATOM 0 HZ PHE A 37 -8.859 6.249 2.098 1.00 11.10 H new ATOM 544 N VAL A 38 -2.467 3.134 -1.918 1.00 0.31 N ATOM 545 CA VAL A 38 -1.585 2.569 -2.932 1.00 61.43 C ATOM 546 C VAL A 38 -2.344 1.617 -3.850 1.00 25.01 C ATOM 547 O VAL A 38 -3.393 1.077 -3.497 1.00 1.12 O ATOM 548 CB VAL A 38 -0.405 1.814 -2.292 1.00 60.14 C ATOM 549 CG1 VAL A 38 0.701 2.783 -1.905 1.00 42.40 C ATOM 550 CG2 VAL A 38 -0.874 1.018 -1.083 1.00 4.41 C ATOM 0 H VAL A 38 -2.972 2.442 -1.364 1.00 0.31 H new ATOM 0 HA VAL A 38 -1.198 3.404 -3.517 1.00 61.43 H new ATOM 0 HB VAL A 38 -0.003 1.115 -3.025 1.00 60.14 H new ATOM 0 HG11 VAL A 38 1.526 2.232 -1.454 1.00 42.40 H new ATOM 0 HG12 VAL A 38 1.055 3.304 -2.794 1.00 42.40 H new ATOM 0 HG13 VAL A 38 0.315 3.508 -1.189 1.00 42.40 H new ATOM 0 HG21 VAL A 38 -0.027 0.491 -0.644 1.00 4.41 H new ATOM 0 HG22 VAL A 38 -1.302 1.696 -0.345 1.00 4.41 H new ATOM 0 HG23 VAL A 38 -1.629 0.296 -1.393 1.00 4.41 H new ATOM 560 N PRO A 39 -1.802 1.403 -5.059 1.00 12.21 N ATOM 561 CA PRO A 39 -2.411 0.515 -6.054 1.00 54.23 C ATOM 562 C PRO A 39 -2.327 -0.952 -5.649 1.00 71.21 C ATOM 563 O PRO A 39 -1.237 -1.515 -5.539 1.00 5.51 O ATOM 564 CB PRO A 39 -1.579 0.771 -7.313 1.00 61.03 C ATOM 565 CG PRO A 39 -0.261 1.246 -6.807 1.00 62.13 C ATOM 566 CD PRO A 39 -0.553 2.013 -5.547 1.00 62.12 C ATOM 0 HA PRO A 39 -3.475 0.714 -6.182 1.00 54.23 H new ATOM 0 HB2 PRO A 39 -1.471 -0.136 -7.907 1.00 61.03 H new ATOM 0 HB3 PRO A 39 -2.049 1.517 -7.953 1.00 61.03 H new ATOM 0 HG2 PRO A 39 0.406 0.407 -6.607 1.00 62.13 H new ATOM 0 HG3 PRO A 39 0.235 1.879 -7.543 1.00 62.13 H new ATOM 0 HD2 PRO A 39 0.253 1.914 -4.820 1.00 62.12 H new ATOM 0 HD3 PRO A 39 -0.676 3.078 -5.744 1.00 62.12 H new ATOM 571 N ALA A 40 -3.484 -1.568 -5.428 1.00 54.41 N ATOM 572 CA ALA A 40 -3.540 -2.971 -5.037 1.00 1.45 C ATOM 573 C ALA A 40 -2.746 -3.842 -6.004 1.00 63.31 C ATOM 574 O ALA A 40 -2.398 -4.980 -5.687 1.00 52.41 O ATOM 575 CB ALA A 40 -4.986 -3.441 -4.966 1.00 64.11 C ATOM 0 H ALA A 40 -4.395 -1.117 -5.513 1.00 54.41 H new ATOM 0 HA ALA A 40 -3.089 -3.066 -4.049 1.00 1.45 H new ATOM 0 HB1 ALA A 40 -5.013 -4.491 -4.673 1.00 64.11 H new ATOM 0 HB2 ALA A 40 -5.527 -2.845 -4.231 1.00 64.11 H new ATOM 0 HB3 ALA A 40 -5.455 -3.325 -5.943 1.00 64.11 H new ATOM 581 N ALA A 41 -2.463 -3.301 -7.185 1.00 72.22 N ATOM 582 CA ALA A 41 -1.708 -4.030 -8.197 1.00 24.34 C ATOM 583 C ALA A 41 -0.257 -4.220 -7.768 1.00 71.51 C ATOM 584 O ALA A 41 0.399 -5.181 -8.172 1.00 23.41 O ATOM 585 CB ALA A 41 -1.775 -3.301 -9.531 1.00 50.11 C ATOM 0 H ALA A 41 -2.745 -2.361 -7.464 1.00 72.22 H new ATOM 0 HA ALA A 41 -2.158 -5.016 -8.311 1.00 24.34 H new ATOM 0 HB1 ALA A 41 -1.207 -3.856 -10.278 1.00 50.11 H new ATOM 0 HB2 ALA A 41 -2.814 -3.222 -9.850 1.00 50.11 H new ATOM 0 HB3 ALA A 41 -1.352 -2.302 -9.422 1.00 50.11 H new ATOM 591 N TYR A 42 0.239 -3.300 -6.950 1.00 42.24 N ATOM 592 CA TYR A 42 1.613 -3.365 -6.469 1.00 53.40 C ATOM 593 C TYR A 42 1.710 -4.218 -5.208 1.00 31.02 C ATOM 594 O TYR A 42 2.804 -4.546 -4.748 1.00 23.52 O ATOM 595 CB TYR A 42 2.146 -1.959 -6.189 1.00 44.31 C ATOM 596 CG TYR A 42 2.467 -1.172 -7.439 1.00 14.22 C ATOM 597 CD1 TYR A 42 1.571 -1.119 -8.500 1.00 40.13 C ATOM 598 CD2 TYR A 42 3.667 -0.484 -7.562 1.00 12.12 C ATOM 599 CE1 TYR A 42 1.860 -0.403 -9.645 1.00 43.15 C ATOM 600 CE2 TYR A 42 3.965 0.237 -8.702 1.00 21.10 C ATOM 601 CZ TYR A 42 3.059 0.273 -9.741 1.00 5.54 C ATOM 602 OH TYR A 42 3.351 0.990 -10.880 1.00 71.51 O ATOM 0 H TYR A 42 -0.291 -2.499 -6.606 1.00 42.24 H new ATOM 0 HA TYR A 42 2.220 -3.828 -7.247 1.00 53.40 H new ATOM 0 HB2 TYR A 42 1.408 -1.410 -5.604 1.00 44.31 H new ATOM 0 HB3 TYR A 42 3.045 -2.036 -5.577 1.00 44.31 H new ATOM 0 HD1 TYR A 42 0.632 -1.647 -8.428 1.00 40.13 H new ATOM 0 HD2 TYR A 42 4.380 -0.513 -6.752 1.00 12.12 H new ATOM 0 HE1 TYR A 42 1.152 -0.372 -10.460 1.00 43.15 H new ATOM 0 HE2 TYR A 42 4.902 0.769 -8.779 1.00 21.10 H new ATOM 0 HH TYR A 42 3.726 0.389 -11.557 1.00 71.51 H new ATOM 611 N VAL A 43 0.556 -4.574 -4.653 1.00 21.43 N ATOM 612 CA VAL A 43 0.508 -5.391 -3.446 1.00 24.32 C ATOM 613 C VAL A 43 -0.440 -6.572 -3.619 1.00 63.35 C ATOM 614 O VAL A 43 -1.014 -6.771 -4.690 1.00 72.14 O ATOM 615 CB VAL A 43 0.061 -4.563 -2.226 1.00 12.31 C ATOM 616 CG1 VAL A 43 1.150 -3.583 -1.819 1.00 40.51 C ATOM 617 CG2 VAL A 43 -1.240 -3.835 -2.524 1.00 64.00 C ATOM 0 H VAL A 43 -0.358 -4.310 -5.020 1.00 21.43 H new ATOM 0 HA VAL A 43 1.518 -5.762 -3.274 1.00 24.32 H new ATOM 0 HB VAL A 43 -0.114 -5.242 -1.391 1.00 12.31 H new ATOM 0 HG11 VAL A 43 0.817 -3.007 -0.956 1.00 40.51 H new ATOM 0 HG12 VAL A 43 2.056 -4.132 -1.561 1.00 40.51 H new ATOM 0 HG13 VAL A 43 1.359 -2.907 -2.648 1.00 40.51 H new ATOM 0 HG21 VAL A 43 -1.541 -3.255 -1.651 1.00 64.00 H new ATOM 0 HG22 VAL A 43 -1.096 -3.166 -3.372 1.00 64.00 H new ATOM 0 HG23 VAL A 43 -2.017 -4.561 -2.762 1.00 64.00 H new ATOM 627 N LYS A 44 -0.601 -7.356 -2.557 1.00 10.51 N ATOM 628 CA LYS A 44 -1.480 -8.517 -2.590 1.00 62.34 C ATOM 629 C LYS A 44 -1.696 -9.075 -1.186 1.00 63.22 C ATOM 630 O LYS A 44 -0.862 -8.893 -0.299 1.00 54.12 O ATOM 631 CB LYS A 44 -0.894 -9.602 -3.496 1.00 14.34 C ATOM 632 CG LYS A 44 -1.936 -10.553 -4.060 1.00 3.33 C ATOM 633 CD LYS A 44 -1.431 -11.257 -5.308 1.00 10.34 C ATOM 634 CE LYS A 44 -0.118 -11.979 -5.048 1.00 14.32 C ATOM 635 NZ LYS A 44 -0.229 -13.441 -5.305 1.00 54.24 N ATOM 0 H LYS A 44 -0.133 -7.207 -1.663 1.00 10.51 H new ATOM 0 HA LYS A 44 -2.443 -8.200 -2.990 1.00 62.34 H new ATOM 0 HB2 LYS A 44 -0.364 -9.127 -4.321 1.00 14.34 H new ATOM 0 HB3 LYS A 44 -0.158 -10.176 -2.932 1.00 14.34 H new ATOM 0 HG2 LYS A 44 -2.200 -11.294 -3.305 1.00 3.33 H new ATOM 0 HG3 LYS A 44 -2.845 -10.000 -4.296 1.00 3.33 H new ATOM 0 HD2 LYS A 44 -2.179 -11.972 -5.651 1.00 10.34 H new ATOM 0 HD3 LYS A 44 -1.295 -10.529 -6.108 1.00 10.34 H new ATOM 0 HE2 LYS A 44 0.661 -11.557 -5.683 1.00 14.32 H new ATOM 0 HE3 LYS A 44 0.189 -11.814 -4.015 1.00 14.32 H new ATOM 0 HZ1 LYS A 44 0.686 -13.897 -5.116 1.00 54.24 H new ATOM 0 HZ2 LYS A 44 -0.954 -13.849 -4.681 1.00 54.24 H new ATOM 0 HZ3 LYS A 44 -0.497 -13.600 -6.297 1.00 54.24 H new ATOM 645 N LYS A 45 -2.820 -9.758 -0.992 1.00 11.34 N ATOM 646 CA LYS A 45 -3.145 -10.345 0.302 1.00 31.12 C ATOM 647 C LYS A 45 -2.337 -11.617 0.541 1.00 50.01 C ATOM 648 O LYS A 45 -2.075 -12.382 -0.389 1.00 52.41 O ATOM 649 CB LYS A 45 -4.641 -10.656 0.383 1.00 61.22 C ATOM 650 CG LYS A 45 -5.403 -9.736 1.319 1.00 45.45 C ATOM 651 CD LYS A 45 -6.577 -10.449 1.970 1.00 31.35 C ATOM 652 CE LYS A 45 -7.895 -9.763 1.645 1.00 44.34 C ATOM 653 NZ LYS A 45 -8.811 -9.737 2.819 1.00 31.42 N ATOM 0 H LYS A 45 -3.521 -9.918 -1.715 1.00 11.34 H new ATOM 0 HA LYS A 45 -2.888 -9.621 1.076 1.00 31.12 H new ATOM 0 HB2 LYS A 45 -5.073 -10.584 -0.615 1.00 61.22 H new ATOM 0 HB3 LYS A 45 -4.772 -11.686 0.714 1.00 61.22 H new ATOM 0 HG2 LYS A 45 -4.730 -9.362 2.091 1.00 45.45 H new ATOM 0 HG3 LYS A 45 -5.764 -8.870 0.765 1.00 45.45 H new ATOM 0 HD2 LYS A 45 -6.610 -11.484 1.629 1.00 31.35 H new ATOM 0 HD3 LYS A 45 -6.435 -10.474 3.050 1.00 31.35 H new ATOM 0 HE2 LYS A 45 -7.701 -8.743 1.313 1.00 44.34 H new ATOM 0 HE3 LYS A 45 -8.380 -10.281 0.818 1.00 44.34 H new ATOM 0 HZ1 LYS A 45 -9.698 -9.261 2.557 1.00 31.42 H new ATOM 0 HZ2 LYS A 45 -9.016 -10.711 3.121 1.00 31.42 H new ATOM 0 HZ3 LYS A 45 -8.359 -9.221 3.600 1.00 31.42 H new ATOM 663 N LEU A 46 -1.945 -11.837 1.791 1.00 70.44 N ATOM 664 CA LEU A 46 -1.169 -13.018 2.152 1.00 74.14 C ATOM 665 C LEU A 46 -1.961 -13.928 3.084 1.00 65.33 C ATOM 666 O LEU A 46 -3.122 -13.656 3.395 1.00 33.33 O ATOM 667 CB LEU A 46 0.144 -12.605 2.819 1.00 34.20 C ATOM 668 CG LEU A 46 1.025 -11.638 2.027 1.00 25.34 C ATOM 669 CD1 LEU A 46 2.145 -11.097 2.901 1.00 34.11 C ATOM 670 CD2 LEU A 46 1.592 -12.323 0.791 1.00 43.15 C ATOM 0 H LEU A 46 -2.152 -11.213 2.571 1.00 70.44 H new ATOM 0 HA LEU A 46 -0.948 -13.570 1.238 1.00 74.14 H new ATOM 0 HB2 LEU A 46 -0.089 -12.148 3.781 1.00 34.20 H new ATOM 0 HB3 LEU A 46 0.722 -13.506 3.025 1.00 34.20 H new ATOM 0 HG LEU A 46 0.409 -10.799 1.702 1.00 25.34 H new ATOM 0 HD11 LEU A 46 2.761 -10.411 2.320 1.00 34.11 H new ATOM 0 HD12 LEU A 46 1.718 -10.568 3.753 1.00 34.11 H new ATOM 0 HD13 LEU A 46 2.760 -11.923 3.257 1.00 34.11 H new ATOM 0 HD21 LEU A 46 2.216 -11.620 0.240 1.00 43.15 H new ATOM 0 HD22 LEU A 46 2.192 -13.181 1.094 1.00 43.15 H new ATOM 0 HD23 LEU A 46 0.774 -12.659 0.154 1.00 43.15 H new ATOM 681 N ASP A 47 -1.328 -15.007 3.531 1.00 32.20 N ATOM 682 CA ASP A 47 -1.973 -15.956 4.431 1.00 54.33 C ATOM 683 C ASP A 47 -1.251 -16.007 5.774 1.00 30.13 C ATOM 684 O ASP A 47 -0.121 -16.486 5.865 1.00 35.42 O ATOM 685 CB ASP A 47 -2.004 -17.349 3.801 1.00 51.20 C ATOM 686 CG ASP A 47 -3.392 -17.959 3.815 1.00 32.25 C ATOM 687 OD1 ASP A 47 -3.924 -18.199 4.918 1.00 3.02 O ATOM 688 OD2 ASP A 47 -3.947 -18.195 2.721 1.00 12.54 O ATOM 0 H ASP A 47 -0.368 -15.246 3.284 1.00 32.20 H new ATOM 0 HA ASP A 47 -2.996 -15.620 4.601 1.00 54.33 H new ATOM 0 HB2 ASP A 47 -1.647 -17.288 2.773 1.00 51.20 H new ATOM 0 HB3 ASP A 47 -1.317 -18.003 4.338 1.00 51.20 H new ATOM 692 N SER A 48 -1.911 -15.509 6.814 1.00 73.43 N ATOM 693 CA SER A 48 -1.331 -15.494 8.152 1.00 52.23 C ATOM 694 C SER A 48 -1.755 -16.728 8.942 1.00 43.53 C ATOM 695 O SER A 48 -0.924 -17.551 9.323 1.00 54.22 O ATOM 696 CB SER A 48 -1.750 -14.226 8.899 1.00 64.43 C ATOM 697 OG SER A 48 -1.204 -14.200 10.206 1.00 1.02 O ATOM 0 H SER A 48 -2.848 -15.110 6.756 1.00 73.43 H new ATOM 0 HA SER A 48 -0.246 -15.505 8.051 1.00 52.23 H new ATOM 0 HB2 SER A 48 -1.418 -13.348 8.345 1.00 64.43 H new ATOM 0 HB3 SER A 48 -2.837 -14.176 8.955 1.00 64.43 H new ATOM 0 HG SER A 48 -1.485 -13.379 10.662 1.00 1.02 H new ATOM 702 N GLY A 49 -3.057 -16.849 9.186 1.00 55.40 N ATOM 703 CA GLY A 49 -3.570 -17.984 9.931 1.00 33.24 C ATOM 704 C GLY A 49 -4.344 -17.566 11.164 1.00 0.11 C ATOM 705 O GLY A 49 -5.511 -17.925 11.326 1.00 52.12 O ATOM 0 H GLY A 49 -3.765 -16.181 8.881 1.00 55.40 H new ATOM 0 HA2 GLY A 49 -4.216 -18.577 9.284 1.00 33.24 H new ATOM 0 HA3 GLY A 49 -2.740 -18.625 10.227 1.00 33.24 H new ATOM 709 N THR A 50 -3.694 -16.805 12.040 1.00 31.54 N ATOM 710 CA THR A 50 -4.328 -16.341 13.268 1.00 13.44 C ATOM 711 C THR A 50 -5.554 -15.488 12.964 1.00 71.41 C ATOM 712 O THR A 50 -6.639 -15.735 13.490 1.00 1.13 O ATOM 713 CB THR A 50 -3.349 -15.523 14.130 1.00 75.11 C ATOM 714 OG1 THR A 50 -4.020 -15.025 15.293 1.00 54.10 O ATOM 715 CG2 THR A 50 -2.768 -14.362 13.337 1.00 4.14 C ATOM 0 H THR A 50 -2.729 -16.497 11.921 1.00 31.54 H new ATOM 0 HA THR A 50 -4.634 -17.229 13.822 1.00 13.44 H new ATOM 0 HB THR A 50 -2.533 -16.178 14.434 1.00 75.11 H new ATOM 0 HG1 THR A 50 -3.391 -14.507 15.837 1.00 54.10 H new ATOM 0 HG21 THR A 50 -2.080 -13.799 13.967 1.00 4.14 H new ATOM 0 HG22 THR A 50 -2.233 -14.746 12.468 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.574 -13.708 13.006 1.00 4.14 H new ATOM 723 N GLY A 51 -5.376 -14.484 12.112 1.00 14.23 N ATOM 724 CA GLY A 51 -6.478 -13.611 11.753 1.00 13.42 C ATOM 725 C GLY A 51 -6.049 -12.162 11.620 1.00 22.12 C ATOM 726 O GLY A 51 -6.735 -11.257 12.097 1.00 71.53 O ATOM 0 H GLY A 51 -4.488 -14.259 11.664 1.00 14.23 H new ATOM 0 HA2 GLY A 51 -6.912 -13.947 10.811 1.00 13.42 H new ATOM 0 HA3 GLY A 51 -7.260 -13.688 12.509 1.00 13.42 H new ATOM 730 N LYS A 52 -4.911 -11.941 10.970 1.00 1.21 N ATOM 731 CA LYS A 52 -4.391 -10.593 10.776 1.00 11.41 C ATOM 732 C LYS A 52 -4.660 -10.105 9.355 1.00 44.14 C ATOM 733 O LYS A 52 -5.118 -10.868 8.505 1.00 31.33 O ATOM 734 CB LYS A 52 -2.888 -10.558 11.061 1.00 42.44 C ATOM 735 CG LYS A 52 -2.528 -10.976 12.476 1.00 62.11 C ATOM 736 CD LYS A 52 -2.292 -9.771 13.371 1.00 12.32 C ATOM 737 CE LYS A 52 -3.585 -9.287 14.008 1.00 22.31 C ATOM 738 NZ LYS A 52 -3.332 -8.315 15.107 1.00 43.13 N ATOM 0 H LYS A 52 -4.332 -12.678 10.569 1.00 1.21 H new ATOM 0 HA LYS A 52 -4.903 -9.930 11.473 1.00 11.41 H new ATOM 0 HB2 LYS A 52 -2.378 -11.214 10.356 1.00 42.44 H new ATOM 0 HB3 LYS A 52 -2.516 -9.549 10.883 1.00 42.44 H new ATOM 0 HG2 LYS A 52 -3.330 -11.587 12.891 1.00 62.11 H new ATOM 0 HG3 LYS A 52 -1.632 -11.597 12.456 1.00 62.11 H new ATOM 0 HD2 LYS A 52 -1.576 -10.031 14.151 1.00 12.32 H new ATOM 0 HD3 LYS A 52 -1.849 -8.964 12.787 1.00 12.32 H new ATOM 0 HE2 LYS A 52 -4.212 -8.821 13.248 1.00 22.31 H new ATOM 0 HE3 LYS A 52 -4.139 -10.141 14.399 1.00 22.31 H new ATOM 0 HZ1 LYS A 52 -4.238 -8.009 15.515 1.00 43.13 H new ATOM 0 HZ2 LYS A 52 -2.755 -8.767 15.845 1.00 43.13 H new ATOM 0 HZ3 LYS A 52 -2.826 -7.489 14.730 1.00 43.13 H new ATOM 748 N GLU A 53 -4.373 -8.832 9.107 1.00 50.31 N ATOM 749 CA GLU A 53 -4.584 -8.245 7.789 1.00 13.54 C ATOM 750 C GLU A 53 -3.285 -7.662 7.238 1.00 5.22 C ATOM 751 O GLU A 53 -2.943 -6.511 7.511 1.00 4.50 O ATOM 752 CB GLU A 53 -5.656 -7.154 7.857 1.00 73.23 C ATOM 753 CG GLU A 53 -6.832 -7.513 8.751 1.00 11.35 C ATOM 754 CD GLU A 53 -8.166 -7.141 8.134 1.00 63.51 C ATOM 755 OE1 GLU A 53 -8.229 -7.006 6.894 1.00 22.01 O ATOM 756 OE2 GLU A 53 -9.148 -6.985 8.891 1.00 35.30 O ATOM 0 H GLU A 53 -3.994 -8.187 9.801 1.00 50.31 H new ATOM 0 HA GLU A 53 -4.921 -9.035 7.118 1.00 13.54 H new ATOM 0 HB2 GLU A 53 -5.202 -6.232 8.220 1.00 73.23 H new ATOM 0 HB3 GLU A 53 -6.023 -6.953 6.850 1.00 73.23 H new ATOM 0 HG2 GLU A 53 -6.816 -8.584 8.955 1.00 11.35 H new ATOM 0 HG3 GLU A 53 -6.724 -7.005 9.709 1.00 11.35 H new ATOM 761 N LEU A 54 -2.566 -8.465 6.462 1.00 70.12 N ATOM 762 CA LEU A 54 -1.304 -8.031 5.873 1.00 14.02 C ATOM 763 C LEU A 54 -1.339 -8.164 4.354 1.00 12.45 C ATOM 764 O LEU A 54 -2.088 -8.974 3.808 1.00 73.12 O ATOM 765 CB LEU A 54 -0.144 -8.850 6.442 1.00 22.42 C ATOM 766 CG LEU A 54 -0.521 -10.173 7.109 1.00 44.44 C ATOM 767 CD1 LEU A 54 0.641 -11.153 7.046 1.00 24.22 C ATOM 768 CD2 LEU A 54 -0.946 -9.940 8.552 1.00 40.14 C ATOM 0 H LEU A 54 -2.835 -9.420 6.226 1.00 70.12 H new ATOM 0 HA LEU A 54 -1.156 -6.981 6.124 1.00 14.02 H new ATOM 0 HB2 LEU A 54 0.557 -9.060 5.634 1.00 22.42 H new ATOM 0 HB3 LEU A 54 0.385 -8.236 7.171 1.00 22.42 H new ATOM 0 HG LEU A 54 -1.363 -10.604 6.567 1.00 44.44 H new ATOM 0 HD11 LEU A 54 0.354 -12.089 7.526 1.00 24.22 H new ATOM 0 HD12 LEU A 54 0.900 -11.344 6.005 1.00 24.22 H new ATOM 0 HD13 LEU A 54 1.502 -10.730 7.563 1.00 24.22 H new ATOM 0 HD21 LEU A 54 -1.211 -10.892 9.012 1.00 40.14 H new ATOM 0 HD22 LEU A 54 -0.123 -9.487 9.105 1.00 40.14 H new ATOM 0 HD23 LEU A 54 -1.809 -9.274 8.574 1.00 40.14 H new ATOM 779 N VAL A 55 -0.521 -7.364 3.676 1.00 22.40 N ATOM 780 CA VAL A 55 -0.457 -7.394 2.220 1.00 14.52 C ATOM 781 C VAL A 55 0.980 -7.245 1.731 1.00 41.24 C ATOM 782 O VAL A 55 1.626 -6.223 1.970 1.00 31.24 O ATOM 783 CB VAL A 55 -1.318 -6.280 1.596 1.00 54.31 C ATOM 784 CG1 VAL A 55 -2.725 -6.786 1.316 1.00 70.43 C ATOM 785 CG2 VAL A 55 -1.352 -5.061 2.505 1.00 73.41 C ATOM 0 H VAL A 55 0.106 -6.688 4.112 1.00 22.40 H new ATOM 0 HA VAL A 55 -0.847 -8.362 1.906 1.00 14.52 H new ATOM 0 HB VAL A 55 -0.868 -5.985 0.648 1.00 54.31 H new ATOM 0 HG11 VAL A 55 -3.319 -5.985 0.875 1.00 70.43 H new ATOM 0 HG12 VAL A 55 -2.678 -7.626 0.623 1.00 70.43 H new ATOM 0 HG13 VAL A 55 -3.188 -7.110 2.248 1.00 70.43 H new ATOM 0 HG21 VAL A 55 -1.965 -4.284 2.048 1.00 73.41 H new ATOM 0 HG22 VAL A 55 -1.777 -5.338 3.470 1.00 73.41 H new ATOM 0 HG23 VAL A 55 -0.339 -4.686 2.649 1.00 73.41 H new ATOM 795 N LEU A 56 1.476 -8.269 1.046 1.00 25.01 N ATOM 796 CA LEU A 56 2.837 -8.252 0.521 1.00 61.14 C ATOM 797 C LEU A 56 2.975 -7.228 -0.601 1.00 53.34 C ATOM 798 O LEU A 56 2.031 -6.978 -1.347 1.00 21.41 O ATOM 799 CB LEU A 56 3.225 -9.641 0.011 1.00 52.50 C ATOM 800 CG LEU A 56 4.674 -9.807 -0.446 1.00 54.02 C ATOM 801 CD1 LEU A 56 4.918 -9.044 -1.739 1.00 63.43 C ATOM 802 CD2 LEU A 56 5.633 -9.339 0.639 1.00 41.50 C ATOM 0 H LEU A 56 0.956 -9.122 0.841 1.00 25.01 H new ATOM 0 HA LEU A 56 3.509 -7.968 1.331 1.00 61.14 H new ATOM 0 HB2 LEU A 56 3.030 -10.364 0.803 1.00 52.50 H new ATOM 0 HB3 LEU A 56 2.571 -9.896 -0.823 1.00 52.50 H new ATOM 0 HG LEU A 56 4.856 -10.865 -0.633 1.00 54.02 H new ATOM 0 HD11 LEU A 56 5.955 -9.174 -2.048 1.00 63.43 H new ATOM 0 HD12 LEU A 56 4.257 -9.425 -2.517 1.00 63.43 H new ATOM 0 HD13 LEU A 56 4.717 -7.985 -1.580 1.00 63.43 H new ATOM 0 HD21 LEU A 56 6.660 -9.465 0.296 1.00 41.50 H new ATOM 0 HD22 LEU A 56 5.450 -8.287 0.858 1.00 41.50 H new ATOM 0 HD23 LEU A 56 5.477 -9.930 1.542 1.00 41.50 H new ATOM 813 N ALA A 57 4.162 -6.639 -0.713 1.00 51.12 N ATOM 814 CA ALA A 57 4.427 -5.645 -1.746 1.00 23.41 C ATOM 815 C ALA A 57 5.032 -6.292 -2.988 1.00 51.33 C ATOM 816 O ALA A 57 6.204 -6.673 -2.993 1.00 42.41 O ATOM 817 CB ALA A 57 5.348 -4.560 -1.211 1.00 41.01 C ATOM 0 H ALA A 57 4.955 -6.833 -0.101 1.00 51.12 H new ATOM 0 HA ALA A 57 3.478 -5.191 -2.031 1.00 23.41 H new ATOM 0 HB1 ALA A 57 5.537 -3.825 -1.993 1.00 41.01 H new ATOM 0 HB2 ALA A 57 4.877 -4.070 -0.359 1.00 41.01 H new ATOM 0 HB3 ALA A 57 6.292 -5.006 -0.897 1.00 41.01 H new ATOM 823 N LEU A 58 4.228 -6.413 -4.038 1.00 62.43 N ATOM 824 CA LEU A 58 4.685 -7.015 -5.285 1.00 4.24 C ATOM 825 C LEU A 58 5.662 -6.093 -6.008 1.00 75.03 C ATOM 826 O LEU A 58 6.737 -6.521 -6.431 1.00 14.40 O ATOM 827 CB LEU A 58 3.492 -7.324 -6.192 1.00 31.31 C ATOM 828 CG LEU A 58 2.277 -7.955 -5.512 1.00 72.34 C ATOM 829 CD1 LEU A 58 1.151 -8.158 -6.513 1.00 61.44 C ATOM 830 CD2 LEU A 58 2.658 -9.276 -4.859 1.00 55.04 C ATOM 0 H LEU A 58 3.257 -6.102 -4.051 1.00 62.43 H new ATOM 0 HA LEU A 58 5.201 -7.944 -5.044 1.00 4.24 H new ATOM 0 HB2 LEU A 58 3.175 -6.397 -6.670 1.00 31.31 H new ATOM 0 HB3 LEU A 58 3.828 -7.993 -6.985 1.00 31.31 H new ATOM 0 HG LEU A 58 1.926 -7.276 -4.735 1.00 72.34 H new ATOM 0 HD11 LEU A 58 0.295 -8.608 -6.011 1.00 61.44 H new ATOM 0 HD12 LEU A 58 0.860 -7.195 -6.934 1.00 61.44 H new ATOM 0 HD13 LEU A 58 1.490 -8.816 -7.313 1.00 61.44 H new ATOM 0 HD21 LEU A 58 1.781 -9.711 -4.380 1.00 55.04 H new ATOM 0 HD22 LEU A 58 3.035 -9.962 -5.618 1.00 55.04 H new ATOM 0 HD23 LEU A 58 3.432 -9.102 -4.111 1.00 55.04 H new ATOM 841 N TYR A 59 5.283 -4.828 -6.145 1.00 41.31 N ATOM 842 CA TYR A 59 6.126 -3.846 -6.816 1.00 11.34 C ATOM 843 C TYR A 59 6.444 -2.677 -5.890 1.00 4.23 C ATOM 844 O TYR A 59 5.792 -2.489 -4.862 1.00 1.53 O ATOM 845 CB TYR A 59 5.438 -3.334 -8.084 1.00 53.25 C ATOM 846 CG TYR A 59 4.678 -4.404 -8.834 1.00 72.22 C ATOM 847 CD1 TYR A 59 5.268 -5.629 -9.124 1.00 3.10 C ATOM 848 CD2 TYR A 59 3.371 -4.191 -9.253 1.00 31.23 C ATOM 849 CE1 TYR A 59 4.577 -6.609 -9.810 1.00 75.40 C ATOM 850 CE2 TYR A 59 2.673 -5.166 -9.938 1.00 22.14 C ATOM 851 CZ TYR A 59 3.280 -6.374 -10.215 1.00 53.32 C ATOM 852 OH TYR A 59 2.588 -7.347 -10.898 1.00 12.35 O ATOM 0 H TYR A 59 4.397 -4.458 -5.800 1.00 41.31 H new ATOM 0 HA TYR A 59 7.061 -4.334 -7.089 1.00 11.34 H new ATOM 0 HB2 TYR A 59 4.750 -2.532 -7.816 1.00 53.25 H new ATOM 0 HB3 TYR A 59 6.189 -2.902 -8.746 1.00 53.25 H new ATOM 0 HD1 TYR A 59 6.283 -5.818 -8.808 1.00 3.10 H new ATOM 0 HD2 TYR A 59 2.892 -3.247 -9.039 1.00 31.23 H new ATOM 0 HE1 TYR A 59 5.050 -7.555 -10.028 1.00 75.40 H new ATOM 0 HE2 TYR A 59 1.657 -4.984 -10.255 1.00 22.14 H new ATOM 0 HH TYR A 59 1.688 -7.021 -11.109 1.00 12.35 H new ATOM 861 N ASP A 60 7.451 -1.893 -6.261 1.00 23.13 N ATOM 862 CA ASP A 60 7.855 -0.739 -5.466 1.00 70.42 C ATOM 863 C ASP A 60 6.973 0.467 -5.770 1.00 51.24 C ATOM 864 O ASP A 60 6.748 0.807 -6.931 1.00 51.51 O ATOM 865 CB ASP A 60 9.321 -0.397 -5.735 1.00 60.11 C ATOM 866 CG ASP A 60 9.676 -0.488 -7.206 1.00 73.31 C ATOM 867 OD1 ASP A 60 9.072 0.253 -8.010 1.00 61.55 O ATOM 868 OD2 ASP A 60 10.558 -1.300 -7.553 1.00 35.01 O ATOM 0 H ASP A 60 8.002 -2.036 -7.107 1.00 23.13 H new ATOM 0 HA ASP A 60 7.737 -0.995 -4.413 1.00 70.42 H new ATOM 0 HB2 ASP A 60 9.528 0.611 -5.376 1.00 60.11 H new ATOM 0 HB3 ASP A 60 9.959 -1.074 -5.168 1.00 60.11 H new ATOM 872 N TYR A 61 6.477 1.110 -4.719 1.00 51.20 N ATOM 873 CA TYR A 61 5.616 2.277 -4.873 1.00 54.31 C ATOM 874 C TYR A 61 6.107 3.434 -4.007 1.00 20.11 C ATOM 875 O TYR A 61 6.988 3.263 -3.166 1.00 31.10 O ATOM 876 CB TYR A 61 4.174 1.926 -4.505 1.00 73.33 C ATOM 877 CG TYR A 61 3.206 3.073 -4.688 1.00 71.13 C ATOM 878 CD1 TYR A 61 3.046 4.037 -3.700 1.00 54.22 C ATOM 879 CD2 TYR A 61 2.451 3.193 -5.848 1.00 42.32 C ATOM 880 CE1 TYR A 61 2.162 5.087 -3.862 1.00 75.34 C ATOM 881 CE2 TYR A 61 1.566 4.239 -6.020 1.00 2.40 C ATOM 882 CZ TYR A 61 1.425 5.183 -5.023 1.00 31.12 C ATOM 883 OH TYR A 61 0.544 6.227 -5.190 1.00 43.53 O ATOM 0 H TYR A 61 6.656 0.843 -3.751 1.00 51.20 H new ATOM 0 HA TYR A 61 5.651 2.588 -5.917 1.00 54.31 H new ATOM 0 HB2 TYR A 61 3.847 1.084 -5.116 1.00 73.33 H new ATOM 0 HB3 TYR A 61 4.143 1.597 -3.466 1.00 73.33 H new ATOM 0 HD1 TYR A 61 3.623 3.964 -2.790 1.00 54.22 H new ATOM 0 HD2 TYR A 61 2.558 2.455 -6.629 1.00 42.32 H new ATOM 0 HE1 TYR A 61 2.049 5.828 -3.084 1.00 75.34 H new ATOM 0 HE2 TYR A 61 0.988 4.318 -6.929 1.00 2.40 H new ATOM 0 HH TYR A 61 -0.091 6.008 -5.903 1.00 43.53 H new ATOM 892 N GLN A 62 5.528 4.611 -4.221 1.00 1.43 N ATOM 893 CA GLN A 62 5.905 5.796 -3.461 1.00 2.42 C ATOM 894 C GLN A 62 4.700 6.703 -3.232 1.00 33.21 C ATOM 895 O GLN A 62 4.072 7.167 -4.183 1.00 40.02 O ATOM 896 CB GLN A 62 7.006 6.567 -4.191 1.00 10.23 C ATOM 897 CG GLN A 62 8.237 6.826 -3.338 1.00 44.12 C ATOM 898 CD GLN A 62 8.091 8.054 -2.461 1.00 43.33 C ATOM 899 OE1 GLN A 62 8.831 9.027 -2.607 1.00 51.12 O ATOM 900 NE2 GLN A 62 7.132 8.017 -1.543 1.00 40.13 N ATOM 0 H GLN A 62 4.797 4.769 -4.914 1.00 1.43 H new ATOM 0 HA GLN A 62 6.281 5.470 -2.491 1.00 2.42 H new ATOM 0 HB2 GLN A 62 7.301 6.008 -5.079 1.00 10.23 H new ATOM 0 HB3 GLN A 62 6.604 7.521 -4.533 1.00 10.23 H new ATOM 0 HG2 GLN A 62 8.429 5.956 -2.710 1.00 44.12 H new ATOM 0 HG3 GLN A 62 9.105 6.948 -3.986 1.00 44.12 H new ATOM 0 HE21 GLN A 62 6.541 7.190 -1.456 1.00 40.13 H new ATOM 0 HE22 GLN A 62 6.986 8.815 -0.925 1.00 40.13 H new ATOM 907 N GLU A 63 4.383 6.949 -1.964 1.00 34.21 N ATOM 908 CA GLU A 63 3.252 7.799 -1.612 1.00 50.14 C ATOM 909 C GLU A 63 3.706 8.987 -0.768 1.00 13.20 C ATOM 910 O GLU A 63 4.462 8.828 0.190 1.00 12.32 O ATOM 911 CB GLU A 63 2.198 6.992 -0.851 1.00 42.41 C ATOM 912 CG GLU A 63 0.770 7.328 -1.249 1.00 12.51 C ATOM 913 CD GLU A 63 0.607 8.776 -1.668 1.00 25.33 C ATOM 914 OE1 GLU A 63 0.514 9.646 -0.777 1.00 42.32 O ATOM 915 OE2 GLU A 63 0.573 9.040 -2.889 1.00 63.03 O ATOM 0 H GLU A 63 4.893 6.572 -1.165 1.00 34.21 H new ATOM 0 HA GLU A 63 2.813 8.178 -2.535 1.00 50.14 H new ATOM 0 HB2 GLU A 63 2.373 5.930 -1.021 1.00 42.41 H new ATOM 0 HB3 GLU A 63 2.319 7.168 0.218 1.00 42.41 H new ATOM 0 HG2 GLU A 63 0.463 6.679 -2.070 1.00 12.51 H new ATOM 0 HG3 GLU A 63 0.104 7.119 -0.411 1.00 12.51 H new ATOM 920 N SER A 64 3.240 10.177 -1.132 1.00 31.51 N ATOM 921 CA SER A 64 3.601 11.392 -0.413 1.00 11.43 C ATOM 922 C SER A 64 2.371 12.030 0.227 1.00 52.41 C ATOM 923 O SER A 64 1.734 12.904 -0.359 1.00 34.04 O ATOM 924 CB SER A 64 4.273 12.390 -1.359 1.00 2.11 C ATOM 925 OG SER A 64 3.465 12.636 -2.497 1.00 73.23 O ATOM 0 H SER A 64 2.611 10.325 -1.921 1.00 31.51 H new ATOM 0 HA SER A 64 4.302 11.122 0.377 1.00 11.43 H new ATOM 0 HB2 SER A 64 4.460 13.326 -0.832 1.00 2.11 H new ATOM 0 HB3 SER A 64 5.242 12.002 -1.674 1.00 2.11 H new ATOM 0 HG SER A 64 2.543 12.809 -2.213 1.00 73.23 H new ATOM 930 N GLY A 65 2.044 11.585 1.437 1.00 52.21 N ATOM 931 CA GLY A 65 0.892 12.122 2.138 1.00 52.04 C ATOM 932 C GLY A 65 -0.397 11.421 1.757 1.00 54.31 C ATOM 933 O GLY A 65 -0.922 11.625 0.663 1.00 2.12 O ATOM 0 H GLY A 65 2.556 10.863 1.944 1.00 52.21 H new ATOM 0 HA2 GLY A 65 1.049 12.029 3.213 1.00 52.04 H new ATOM 0 HA3 GLY A 65 0.801 13.186 1.920 1.00 52.04 H new ATOM 937 N ASP A 66 -0.907 10.594 2.662 1.00 23.44 N ATOM 938 CA ASP A 66 -2.143 9.859 2.415 1.00 52.14 C ATOM 939 C ASP A 66 -3.135 10.713 1.631 1.00 12.02 C ATOM 940 O ASP A 66 -3.757 11.620 2.181 1.00 41.21 O ATOM 941 CB ASP A 66 -2.769 9.412 3.738 1.00 11.45 C ATOM 942 CG ASP A 66 -3.303 10.578 4.548 1.00 72.31 C ATOM 943 OD1 ASP A 66 -2.731 11.683 4.446 1.00 23.14 O ATOM 944 OD2 ASP A 66 -4.292 10.384 5.283 1.00 65.33 O ATOM 0 H ASP A 66 -0.485 10.415 3.573 1.00 23.44 H new ATOM 0 HA ASP A 66 -1.901 8.978 1.821 1.00 52.14 H new ATOM 0 HB2 ASP A 66 -3.580 8.712 3.535 1.00 11.45 H new ATOM 0 HB3 ASP A 66 -2.025 8.875 4.326 1.00 11.45 H new ATOM 948 N ASN A 67 -3.276 10.415 0.344 1.00 12.31 N ATOM 949 CA ASN A 67 -4.191 11.157 -0.517 1.00 52.13 C ATOM 950 C ASN A 67 -5.202 10.220 -1.171 1.00 43.34 C ATOM 951 O ASN A 67 -4.844 9.154 -1.669 1.00 41.14 O ATOM 952 CB ASN A 67 -3.411 11.914 -1.593 1.00 10.44 C ATOM 953 CG ASN A 67 -2.393 12.871 -1.004 1.00 13.51 C ATOM 954 OD1 ASN A 67 -1.241 12.914 -1.436 1.00 33.30 O ATOM 955 ND2 ASN A 67 -2.815 13.647 -0.012 1.00 51.03 N ATOM 0 H ASN A 67 -2.769 9.665 -0.126 1.00 12.31 H new ATOM 0 HA ASN A 67 -4.732 11.873 0.101 1.00 52.13 H new ATOM 0 HB2 ASN A 67 -2.902 11.199 -2.239 1.00 10.44 H new ATOM 0 HB3 ASN A 67 -4.108 12.470 -2.220 1.00 10.44 H new ATOM 0 HD21 ASN A 67 -2.175 14.312 0.423 1.00 51.03 H new ATOM 0 HD22 ASN A 67 -3.779 13.578 0.315 1.00 51.03 H new ATOM 961 N ALA A 68 -6.468 10.628 -1.164 1.00 13.42 N ATOM 962 CA ALA A 68 -7.530 9.827 -1.759 1.00 63.24 C ATOM 963 C ALA A 68 -7.230 9.512 -3.219 1.00 11.12 C ATOM 964 O ALA A 68 -6.768 10.363 -3.981 1.00 24.12 O ATOM 965 CB ALA A 68 -8.865 10.547 -1.635 1.00 5.24 C ATOM 0 H ALA A 68 -6.782 11.507 -0.753 1.00 13.42 H new ATOM 0 HA ALA A 68 -7.586 8.883 -1.217 1.00 63.24 H new ATOM 0 HB1 ALA A 68 -9.650 9.938 -2.083 1.00 5.24 H new ATOM 0 HB2 ALA A 68 -9.092 10.714 -0.582 1.00 5.24 H new ATOM 0 HB3 ALA A 68 -8.811 11.506 -2.151 1.00 5.24 H new ATOM 971 N PRO A 69 -7.494 8.261 -3.623 1.00 64.31 N ATOM 972 CA PRO A 69 -7.260 7.805 -4.996 1.00 54.11 C ATOM 973 C PRO A 69 -8.229 8.435 -5.990 1.00 61.00 C ATOM 974 O PRO A 69 -9.214 7.815 -6.391 1.00 75.24 O ATOM 975 CB PRO A 69 -7.488 6.293 -4.912 1.00 11.35 C ATOM 976 CG PRO A 69 -8.402 6.112 -3.750 1.00 5.24 C ATOM 977 CD PRO A 69 -8.046 7.195 -2.769 1.00 73.32 C ATOM 0 HA PRO A 69 -6.268 8.081 -5.353 1.00 54.11 H new ATOM 0 HB2 PRO A 69 -7.933 5.908 -5.830 1.00 11.35 H new ATOM 0 HB3 PRO A 69 -6.549 5.759 -4.765 1.00 11.35 H new ATOM 0 HG2 PRO A 69 -9.445 6.192 -4.058 1.00 5.24 H new ATOM 0 HG3 PRO A 69 -8.276 5.125 -3.304 1.00 5.24 H new ATOM 0 HD2 PRO A 69 -8.919 7.537 -2.213 1.00 73.32 H new ATOM 0 HD3 PRO A 69 -7.317 6.849 -2.036 1.00 73.32 H new ATOM 982 N SER A 70 -7.944 9.672 -6.385 1.00 55.41 N ATOM 983 CA SER A 70 -8.792 10.388 -7.331 1.00 70.24 C ATOM 984 C SER A 70 -8.451 10.001 -8.767 1.00 4.42 C ATOM 985 O SER A 70 -9.125 10.417 -9.709 1.00 11.12 O ATOM 986 CB SER A 70 -8.636 11.899 -7.146 1.00 33.34 C ATOM 987 OG SER A 70 -9.879 12.562 -7.297 1.00 52.11 O ATOM 0 H SER A 70 -7.132 10.199 -6.064 1.00 55.41 H new ATOM 0 HA SER A 70 -9.828 10.111 -7.135 1.00 70.24 H new ATOM 0 HB2 SER A 70 -8.227 12.107 -6.157 1.00 33.34 H new ATOM 0 HB3 SER A 70 -7.923 12.286 -7.874 1.00 33.34 H new ATOM 0 HG SER A 70 -9.753 13.526 -7.173 1.00 52.11 H new ATOM 992 N TYR A 71 -7.402 9.203 -8.925 1.00 73.15 N ATOM 993 CA TYR A 71 -6.969 8.761 -10.245 1.00 61.22 C ATOM 994 C TYR A 71 -6.712 7.257 -10.260 1.00 42.41 C ATOM 995 O TYR A 71 -6.731 6.603 -9.217 1.00 12.35 O ATOM 996 CB TYR A 71 -5.705 9.510 -10.668 1.00 54.33 C ATOM 997 CG TYR A 71 -4.644 9.563 -9.592 1.00 62.24 C ATOM 998 CD1 TYR A 71 -4.172 8.398 -8.998 1.00 53.50 C ATOM 999 CD2 TYR A 71 -4.115 10.775 -9.167 1.00 10.23 C ATOM 1000 CE1 TYR A 71 -3.202 8.441 -8.013 1.00 64.51 C ATOM 1001 CE2 TYR A 71 -3.146 10.827 -8.185 1.00 14.11 C ATOM 1002 CZ TYR A 71 -2.693 9.658 -7.611 1.00 75.12 C ATOM 1003 OH TYR A 71 -1.728 9.706 -6.631 1.00 72.22 O ATOM 0 H TYR A 71 -6.835 8.848 -8.155 1.00 73.15 H new ATOM 0 HA TYR A 71 -7.768 8.981 -10.953 1.00 61.22 H new ATOM 0 HB2 TYR A 71 -5.288 9.031 -11.554 1.00 54.33 H new ATOM 0 HB3 TYR A 71 -5.974 10.527 -10.952 1.00 54.33 H new ATOM 0 HD1 TYR A 71 -4.569 7.444 -9.311 1.00 53.50 H new ATOM 0 HD2 TYR A 71 -4.468 11.693 -9.613 1.00 10.23 H new ATOM 0 HE1 TYR A 71 -2.845 7.527 -7.561 1.00 64.51 H new ATOM 0 HE2 TYR A 71 -2.745 11.778 -7.868 1.00 14.11 H new ATOM 0 HH TYR A 71 -1.476 10.638 -6.465 1.00 72.22 H new ATOM 1012 N SER A 72 -6.472 6.716 -11.449 1.00 33.35 N ATOM 1013 CA SER A 72 -6.214 5.289 -11.602 1.00 23.12 C ATOM 1014 C SER A 72 -4.812 4.935 -11.116 1.00 45.41 C ATOM 1015 O SER A 72 -3.924 5.784 -11.033 1.00 61.42 O ATOM 1016 CB SER A 72 -6.379 4.873 -13.065 1.00 33.35 C ATOM 1017 OG SER A 72 -6.050 5.939 -13.939 1.00 54.41 O ATOM 0 H SER A 72 -6.451 7.244 -12.321 1.00 33.35 H new ATOM 0 HA SER A 72 -6.938 4.747 -10.994 1.00 23.12 H new ATOM 0 HB2 SER A 72 -5.741 4.015 -13.277 1.00 33.35 H new ATOM 0 HB3 SER A 72 -7.407 4.557 -13.243 1.00 33.35 H new ATOM 0 HG SER A 72 -6.162 5.647 -14.868 1.00 54.41 H new ATOM 1022 N PRO A 73 -4.607 3.651 -10.787 1.00 43.51 N ATOM 1023 CA PRO A 73 -3.316 3.155 -10.303 1.00 73.51 C ATOM 1024 C PRO A 73 -2.252 3.146 -11.396 1.00 25.55 C ATOM 1025 O PRO A 73 -2.543 2.951 -12.577 1.00 14.22 O ATOM 1026 CB PRO A 73 -3.631 1.725 -9.853 1.00 0.43 C ATOM 1027 CG PRO A 73 -4.820 1.329 -10.658 1.00 64.10 C ATOM 1028 CD PRO A 73 -5.621 2.585 -10.862 1.00 12.40 C ATOM 0 HA PRO A 73 -2.908 3.785 -9.513 1.00 73.51 H new ATOM 0 HB2 PRO A 73 -2.789 1.058 -10.036 1.00 0.43 H new ATOM 0 HB3 PRO A 73 -3.844 1.684 -8.785 1.00 0.43 H new ATOM 0 HG2 PRO A 73 -4.519 0.899 -11.613 1.00 64.10 H new ATOM 0 HG3 PRO A 73 -5.408 0.572 -10.139 1.00 64.10 H new ATOM 0 HD2 PRO A 73 -6.133 2.584 -11.825 1.00 12.40 H new ATOM 0 HD3 PRO A 73 -6.386 2.703 -10.095 1.00 12.40 H new ATOM 1033 N PRO A 74 -0.990 3.361 -10.996 1.00 33.00 N ATOM 1034 CA PRO A 74 0.143 3.382 -11.927 1.00 24.41 C ATOM 1035 C PRO A 74 0.454 2.001 -12.492 1.00 21.50 C ATOM 1036 O PRO A 74 0.155 0.972 -11.884 1.00 40.41 O ATOM 1037 CB PRO A 74 1.303 3.880 -11.062 1.00 52.25 C ATOM 1038 CG PRO A 74 0.928 3.502 -9.670 1.00 2.05 C ATOM 1039 CD PRO A 74 -0.571 3.601 -9.605 1.00 31.31 C ATOM 0 HA PRO A 74 -0.056 4.007 -12.798 1.00 24.41 H new ATOM 0 HB2 PRO A 74 2.244 3.417 -11.358 1.00 52.25 H new ATOM 0 HB3 PRO A 74 1.434 4.958 -11.158 1.00 52.25 H new ATOM 0 HG2 PRO A 74 1.263 2.492 -9.436 1.00 2.05 H new ATOM 0 HG3 PRO A 74 1.395 4.169 -8.945 1.00 2.05 H new ATOM 0 HD2 PRO A 74 -0.993 2.861 -8.925 1.00 31.31 H new ATOM 0 HD3 PRO A 74 -0.894 4.580 -9.251 1.00 31.31 H new ATOM 1044 N PRO A 75 1.068 1.972 -13.684 1.00 10.51 N ATOM 1045 CA PRO A 75 1.434 0.722 -14.357 1.00 64.00 C ATOM 1046 C PRO A 75 2.568 -0.008 -13.646 1.00 44.05 C ATOM 1047 O PRO A 75 3.631 0.552 -13.381 1.00 50.42 O ATOM 1048 CB PRO A 75 1.884 1.185 -15.745 1.00 14.31 C ATOM 1049 CG PRO A 75 2.331 2.593 -15.548 1.00 13.41 C ATOM 1050 CD PRO A 75 1.453 3.159 -14.467 1.00 51.04 C ATOM 0 HA PRO A 75 0.607 0.012 -14.377 1.00 64.00 H new ATOM 0 HB2 PRO A 75 2.693 0.562 -16.127 1.00 14.31 H new ATOM 0 HB3 PRO A 75 1.069 1.126 -16.466 1.00 14.31 H new ATOM 0 HG2 PRO A 75 3.381 2.632 -15.258 1.00 13.41 H new ATOM 0 HG3 PRO A 75 2.233 3.166 -16.470 1.00 13.41 H new ATOM 0 HD2 PRO A 75 1.986 3.888 -13.856 1.00 51.04 H new ATOM 0 HD3 PRO A 75 0.582 3.667 -14.881 1.00 51.04 H new ATOM 1055 N PRO A 76 2.338 -1.292 -13.328 1.00 4.15 N ATOM 1056 CA PRO A 76 3.329 -2.127 -12.644 1.00 45.43 C ATOM 1057 C PRO A 76 4.521 -2.458 -13.535 1.00 70.05 C ATOM 1058 O PRO A 76 4.517 -2.205 -14.740 1.00 42.35 O ATOM 1059 CB PRO A 76 2.547 -3.397 -12.303 1.00 72.23 C ATOM 1060 CG PRO A 76 1.455 -3.453 -13.315 1.00 74.13 C ATOM 1061 CD PRO A 76 1.093 -2.024 -13.613 1.00 73.43 C ATOM 0 HA PRO A 76 3.755 -1.626 -11.775 1.00 45.43 H new ATOM 0 HB2 PRO A 76 3.183 -4.280 -12.358 1.00 72.23 H new ATOM 0 HB3 PRO A 76 2.146 -3.355 -11.290 1.00 72.23 H new ATOM 0 HG2 PRO A 76 1.785 -3.968 -14.217 1.00 74.13 H new ATOM 0 HG3 PRO A 76 0.595 -4.002 -12.931 1.00 74.13 H new ATOM 0 HD2 PRO A 76 0.780 -1.896 -14.649 1.00 73.43 H new ATOM 0 HD3 PRO A 76 0.271 -1.678 -12.986 1.00 73.43 H new ATOM 1066 N PRO A 77 5.569 -3.040 -12.930 1.00 11.31 N ATOM 1067 CA PRO A 77 6.788 -3.420 -13.651 1.00 63.13 C ATOM 1068 C PRO A 77 6.558 -4.592 -14.599 1.00 15.45 C ATOM 1069 O PRO A 77 7.510 -5.205 -15.084 1.00 62.01 O ATOM 1070 CB PRO A 77 7.752 -3.817 -12.531 1.00 74.44 C ATOM 1071 CG PRO A 77 6.872 -4.233 -11.403 1.00 3.14 C ATOM 1072 CD PRO A 77 5.644 -3.372 -11.497 1.00 3.34 C ATOM 0 HA PRO A 77 7.158 -2.613 -14.283 1.00 63.13 H new ATOM 0 HB2 PRO A 77 8.407 -4.630 -12.843 1.00 74.44 H new ATOM 0 HB3 PRO A 77 8.393 -2.983 -12.246 1.00 74.44 H new ATOM 0 HG2 PRO A 77 6.615 -5.289 -11.478 1.00 3.14 H new ATOM 0 HG3 PRO A 77 7.373 -4.094 -10.445 1.00 3.14 H new ATOM 0 HD2 PRO A 77 4.754 -3.904 -11.161 1.00 3.34 H new ATOM 0 HD3 PRO A 77 5.733 -2.477 -10.881 1.00 3.34 H new