USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=14 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 20 ASN : amide:sc= -1.83! K(o=-1.8!,f=-0.62) USER MOD Set 1.2: A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 36:sc= 0.391 USER MOD Single : A 10 MET CE :methyl 163:sc= -10.5! (180deg=-13.4!) 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 21 SER OG : rot 66:sc= 1.03 USER MOD Single : A 23 ASN : amide:sc= -4.69! K(o=-4.7!,f=-2.6) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -4.06! K(o=-4.1!,f=-0.37) USER MOD Single : A 35 GLN : amide:sc= -4.08! C(o=-4.1!,f=-9.8!) USER MOD Single : A 42 TYR OH : rot -86:sc= 0.428 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 150:sc= 0 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 -164:sc= 0.207 USER MOD Single : A 62 GLN : amide:sc= -15.8! C(o=-16!,f=-8!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.522 X(o=-0.52,f=-0.095) USER MOD Single : A 70 SER OG : rot -24:sc= 0.589 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0217 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 7 4.541 9.967 3.931 1.00 3.13 N ATOM 73 CA GLU A 7 4.837 9.395 2.623 1.00 11.35 C ATOM 74 C GLU A 7 5.027 7.884 2.720 1.00 42.41 C ATOM 75 O GLU A 7 6.057 7.405 3.194 1.00 13.21 O ATOM 76 CB GLU A 7 6.092 10.040 2.031 1.00 52.44 C ATOM 77 CG GLU A 7 6.108 11.556 2.142 1.00 74.44 C ATOM 78 CD GLU A 7 7.498 12.108 2.394 1.00 44.21 C ATOM 79 OE1 GLU A 7 8.398 11.851 1.567 1.00 3.21 O ATOM 80 OE2 GLU A 7 7.684 12.799 3.418 1.00 62.13 O ATOM 0 HA GLU A 7 3.990 9.596 1.967 1.00 11.35 H new ATOM 0 HB2 GLU A 7 6.970 9.638 2.537 1.00 52.44 H new ATOM 0 HB3 GLU A 7 6.173 9.760 0.981 1.00 52.44 H new ATOM 0 HG2 GLU A 7 5.711 11.988 1.224 1.00 74.44 H new ATOM 0 HG3 GLU A 7 5.446 11.864 2.952 1.00 74.44 H new ATOM 85 N VAL A 8 4.024 7.137 2.269 1.00 24.03 N ATOM 86 CA VAL A 8 4.079 5.681 2.305 1.00 50.41 C ATOM 87 C VAL A 8 4.682 5.122 1.020 1.00 45.44 C ATOM 88 O VAL A 8 4.192 5.389 -0.077 1.00 1.24 O ATOM 89 CB VAL A 8 2.679 5.071 2.509 1.00 2.32 C ATOM 90 CG1 VAL A 8 1.952 4.946 1.179 1.00 64.13 C ATOM 91 CG2 VAL A 8 2.782 3.720 3.199 1.00 74.03 C ATOM 0 H VAL A 8 3.164 7.517 1.874 1.00 24.03 H new ATOM 0 HA VAL A 8 4.712 5.409 3.149 1.00 50.41 H new ATOM 0 HB VAL A 8 2.101 5.737 3.150 1.00 2.32 H new ATOM 0 HG11 VAL A 8 0.965 4.513 1.343 1.00 64.13 H new ATOM 0 HG12 VAL A 8 1.845 5.933 0.729 1.00 64.13 H new ATOM 0 HG13 VAL A 8 2.524 4.302 0.511 1.00 64.13 H new ATOM 0 HG21 VAL A 8 1.784 3.304 3.335 1.00 74.03 H new ATOM 0 HG22 VAL A 8 3.377 3.043 2.586 1.00 74.03 H new ATOM 0 HG23 VAL A 8 3.259 3.843 4.171 1.00 74.03 H new ATOM 101 N THR A 9 5.750 4.343 1.165 1.00 4.44 N ATOM 102 CA THR A 9 6.421 3.748 0.017 1.00 61.52 C ATOM 103 C THR A 9 6.554 2.237 0.181 1.00 41.13 C ATOM 104 O THR A 9 7.142 1.758 1.152 1.00 4.45 O ATOM 105 CB THR A 9 7.820 4.355 -0.193 1.00 74.53 C ATOM 106 OG1 THR A 9 8.623 4.153 0.976 1.00 12.34 O ATOM 107 CG2 THR A 9 7.725 5.841 -0.499 1.00 43.51 C ATOM 0 H THR A 9 6.168 4.110 2.066 1.00 4.44 H new ATOM 0 HA THR A 9 5.805 3.964 -0.856 1.00 61.52 H new ATOM 0 HB THR A 9 8.285 3.855 -1.043 1.00 74.53 H new ATOM 0 HG1 THR A 9 8.415 3.280 1.369 1.00 12.34 H new ATOM 0 HG21 THR A 9 8.726 6.247 -0.643 1.00 43.51 H new ATOM 0 HG22 THR A 9 7.139 5.989 -1.406 1.00 43.51 H new ATOM 0 HG23 THR A 9 7.242 6.354 0.333 1.00 43.51 H new ATOM 115 N MET A 10 6.007 1.492 -0.773 1.00 3.44 N ATOM 116 CA MET A 10 6.067 0.036 -0.733 1.00 20.03 C ATOM 117 C MET A 10 7.328 -0.475 -1.421 1.00 12.32 C ATOM 118 O MET A 10 7.741 0.051 -2.455 1.00 44.40 O ATOM 119 CB MET A 10 4.829 -0.565 -1.402 1.00 23.01 C ATOM 120 CG MET A 10 3.520 0.014 -0.890 1.00 24.23 C ATOM 121 SD MET A 10 2.153 -0.235 -2.040 1.00 10.41 S ATOM 122 CE MET A 10 2.801 -1.561 -3.054 1.00 13.32 C ATOM 0 H MET A 10 5.517 1.872 -1.583 1.00 3.44 H new ATOM 0 HA MET A 10 6.093 -0.273 0.312 1.00 20.03 H new ATOM 0 HB2 MET A 10 4.893 -0.402 -2.478 1.00 23.01 H new ATOM 0 HB3 MET A 10 4.827 -1.643 -1.242 1.00 23.01 H new ATOM 0 HG2 MET A 10 3.273 -0.446 0.067 1.00 24.23 H new ATOM 0 HG3 MET A 10 3.646 1.081 -0.707 1.00 24.23 H new ATOM 0 HE1 MET A 10 1.985 -2.030 -3.604 1.00 13.32 H new ATOM 0 HE2 MET A 10 3.529 -1.158 -3.758 1.00 13.32 H new ATOM 0 HE3 MET A 10 3.284 -2.303 -2.418 1.00 13.32 H new ATOM 130 N LYS A 11 7.939 -1.503 -0.841 1.00 70.51 N ATOM 131 CA LYS A 11 9.153 -2.086 -1.398 1.00 12.32 C ATOM 132 C LYS A 11 8.954 -3.567 -1.706 1.00 10.45 C ATOM 133 O LYS A 11 8.431 -4.318 -0.883 1.00 24.24 O ATOM 134 CB LYS A 11 10.321 -1.909 -0.425 1.00 62.03 C ATOM 135 CG LYS A 11 11.682 -1.927 -1.099 1.00 2.33 C ATOM 136 CD LYS A 11 11.967 -0.616 -1.814 1.00 4.21 C ATOM 137 CE LYS A 11 11.807 -0.757 -3.320 1.00 52.43 C ATOM 138 NZ LYS A 11 13.122 -0.843 -4.012 1.00 53.31 N ATOM 0 H LYS A 11 7.612 -1.950 0.016 1.00 70.51 H new ATOM 0 HA LYS A 11 9.381 -1.567 -2.329 1.00 12.32 H new ATOM 0 HB2 LYS A 11 10.200 -0.965 0.106 1.00 62.03 H new ATOM 0 HB3 LYS A 11 10.284 -2.702 0.322 1.00 62.03 H new ATOM 0 HG2 LYS A 11 12.456 -2.112 -0.354 1.00 2.33 H new ATOM 0 HG3 LYS A 11 11.725 -2.749 -1.813 1.00 2.33 H new ATOM 0 HD2 LYS A 11 11.290 0.155 -1.446 1.00 4.21 H new ATOM 0 HD3 LYS A 11 12.980 -0.287 -1.584 1.00 4.21 H new ATOM 0 HE2 LYS A 11 11.221 -1.649 -3.541 1.00 52.43 H new ATOM 0 HE3 LYS A 11 11.248 0.095 -3.707 1.00 52.43 H new ATOM 0 HZ1 LYS A 11 12.970 -0.938 -5.036 1.00 53.31 H new ATOM 0 HZ2 LYS A 11 13.671 0.020 -3.822 1.00 53.31 H new ATOM 0 HZ3 LYS A 11 13.645 -1.671 -3.661 1.00 53.31 H new ATOM 148 N LYS A 12 9.377 -3.981 -2.896 1.00 14.14 N ATOM 149 CA LYS A 12 9.248 -5.372 -3.312 1.00 13.33 C ATOM 150 C LYS A 12 9.802 -6.313 -2.247 1.00 14.45 C ATOM 151 O LYS A 12 11.008 -6.350 -2.004 1.00 30.52 O ATOM 152 CB LYS A 12 9.979 -5.598 -4.639 1.00 65.54 C ATOM 153 CG LYS A 12 9.484 -6.812 -5.406 1.00 23.03 C ATOM 154 CD LYS A 12 9.499 -6.568 -6.905 1.00 13.14 C ATOM 155 CE LYS A 12 9.516 -7.874 -7.684 1.00 45.03 C ATOM 156 NZ LYS A 12 10.757 -8.021 -8.494 1.00 24.54 N ATOM 0 H LYS A 12 9.812 -3.372 -3.589 1.00 14.14 H new ATOM 0 HA LYS A 12 8.188 -5.589 -3.446 1.00 13.33 H new ATOM 0 HB2 LYS A 12 9.864 -4.712 -5.263 1.00 65.54 H new ATOM 0 HB3 LYS A 12 11.045 -5.713 -4.442 1.00 65.54 H new ATOM 0 HG2 LYS A 12 10.110 -7.673 -5.170 1.00 23.03 H new ATOM 0 HG3 LYS A 12 8.471 -7.057 -5.086 1.00 23.03 H new ATOM 0 HD2 LYS A 12 8.622 -5.986 -7.188 1.00 13.14 H new ATOM 0 HD3 LYS A 12 10.374 -5.975 -7.169 1.00 13.14 H new ATOM 0 HE2 LYS A 12 9.433 -8.711 -6.991 1.00 45.03 H new ATOM 0 HE3 LYS A 12 8.647 -7.917 -8.340 1.00 45.03 H new ATOM 0 HZ1 LYS A 12 10.730 -8.924 -9.010 1.00 24.54 H new ATOM 0 HZ2 LYS A 12 10.823 -7.236 -9.173 1.00 24.54 H new ATOM 0 HZ3 LYS A 12 11.586 -8.006 -7.866 1.00 24.54 H new ATOM 166 N GLY A 13 8.913 -7.072 -1.615 1.00 62.01 N ATOM 167 CA GLY A 13 9.333 -8.004 -0.584 1.00 62.02 C ATOM 168 C GLY A 13 9.174 -7.434 0.812 1.00 3.01 C ATOM 169 O GLY A 13 10.072 -7.555 1.646 1.00 22.53 O ATOM 0 H GLY A 13 7.910 -7.059 -1.798 1.00 62.01 H new ATOM 0 HA2 GLY A 13 8.749 -8.921 -0.668 1.00 62.02 H new ATOM 0 HA3 GLY A 13 10.376 -8.275 -0.746 1.00 62.02 H new ATOM 173 N ASP A 14 8.030 -6.809 1.068 1.00 21.34 N ATOM 174 CA ASP A 14 7.755 -6.218 2.372 1.00 14.21 C ATOM 175 C ASP A 14 6.300 -6.435 2.772 1.00 4.53 C ATOM 176 O ASP A 14 5.422 -6.561 1.916 1.00 55.15 O ATOM 177 CB ASP A 14 8.076 -4.723 2.355 1.00 2.32 C ATOM 178 CG ASP A 14 8.856 -4.284 3.578 1.00 11.41 C ATOM 179 OD1 ASP A 14 8.855 -5.028 4.582 1.00 12.35 O ATOM 180 OD2 ASP A 14 9.468 -3.196 3.531 1.00 73.04 O ATOM 0 H ASP A 14 7.277 -6.699 0.389 1.00 21.34 H new ATOM 0 HA ASP A 14 8.391 -6.710 3.108 1.00 14.21 H new ATOM 0 HB2 ASP A 14 8.649 -4.488 1.458 1.00 2.32 H new ATOM 0 HB3 ASP A 14 7.147 -4.156 2.297 1.00 2.32 H new ATOM 184 N ILE A 15 6.050 -6.478 4.076 1.00 71.32 N ATOM 185 CA ILE A 15 4.700 -6.680 4.589 1.00 40.33 C ATOM 186 C ILE A 15 4.151 -5.400 5.209 1.00 53.30 C ATOM 187 O ILE A 15 4.581 -4.984 6.286 1.00 71.03 O ATOM 188 CB ILE A 15 4.660 -7.804 5.640 1.00 63.34 C ATOM 189 CG1 ILE A 15 5.241 -9.096 5.060 1.00 65.33 C ATOM 190 CG2 ILE A 15 3.234 -8.028 6.122 1.00 52.44 C ATOM 191 CD1 ILE A 15 5.697 -10.080 6.114 1.00 62.41 C ATOM 0 H ILE A 15 6.764 -6.376 4.797 1.00 71.32 H new ATOM 0 HA ILE A 15 4.079 -6.965 3.740 1.00 40.33 H new ATOM 0 HB ILE A 15 5.269 -7.505 6.493 1.00 63.34 H new ATOM 0 HG12 ILE A 15 4.489 -9.572 4.431 1.00 65.33 H new ATOM 0 HG13 ILE A 15 6.085 -8.848 4.416 1.00 65.33 H new ATOM 0 HG21 ILE A 15 3.222 -8.826 6.865 1.00 52.44 H new ATOM 0 HG22 ILE A 15 2.853 -7.110 6.569 1.00 52.44 H new ATOM 0 HG23 ILE A 15 2.604 -8.309 5.278 1.00 52.44 H new ATOM 0 HD11 ILE A 15 6.097 -10.971 5.631 1.00 62.41 H new ATOM 0 HD12 ILE A 15 6.472 -9.622 6.729 1.00 62.41 H new ATOM 0 HD13 ILE A 15 4.851 -10.357 6.743 1.00 62.41 H new ATOM 202 N LEU A 16 3.198 -4.779 4.523 1.00 63.33 N ATOM 203 CA LEU A 16 2.586 -3.546 5.008 1.00 40.42 C ATOM 204 C LEU A 16 1.169 -3.801 5.512 1.00 75.32 C ATOM 205 O LEU A 16 0.343 -4.383 4.808 1.00 44.34 O ATOM 206 CB LEU A 16 2.562 -2.495 3.897 1.00 31.13 C ATOM 207 CG LEU A 16 3.689 -2.581 2.867 1.00 54.31 C ATOM 208 CD1 LEU A 16 3.179 -3.179 1.565 1.00 12.21 C ATOM 209 CD2 LEU A 16 4.295 -1.206 2.623 1.00 43.42 C ATOM 0 H LEU A 16 2.832 -5.108 3.630 1.00 63.33 H new ATOM 0 HA LEU A 16 3.186 -3.175 5.839 1.00 40.42 H new ATOM 0 HB2 LEU A 16 1.610 -2.572 3.372 1.00 31.13 H new ATOM 0 HB3 LEU A 16 2.592 -1.508 4.358 1.00 31.13 H new ATOM 0 HG LEU A 16 4.467 -3.234 3.262 1.00 54.31 H new ATOM 0 HD11 LEU A 16 3.995 -3.232 0.845 1.00 12.21 H new ATOM 0 HD12 LEU A 16 2.794 -4.181 1.751 1.00 12.21 H new ATOM 0 HD13 LEU A 16 2.382 -2.553 1.165 1.00 12.21 H new ATOM 0 HD21 LEU A 16 5.095 -1.286 1.887 1.00 43.42 H new ATOM 0 HD22 LEU A 16 3.526 -0.530 2.250 1.00 43.42 H new ATOM 0 HD23 LEU A 16 4.699 -0.815 3.557 1.00 43.42 H new ATOM 220 N THR A 17 0.895 -3.362 6.737 1.00 21.34 N ATOM 221 CA THR A 17 -0.422 -3.542 7.336 1.00 12.03 C ATOM 222 C THR A 17 -1.528 -3.279 6.320 1.00 42.21 C ATOM 223 O THR A 17 -1.568 -2.221 5.690 1.00 50.35 O ATOM 224 CB THR A 17 -0.620 -2.612 8.547 1.00 12.20 C ATOM 225 OG1 THR A 17 0.407 -2.844 9.517 1.00 52.23 O ATOM 226 CG2 THR A 17 -1.983 -2.833 9.182 1.00 65.33 C ATOM 0 H THR A 17 1.567 -2.880 7.333 1.00 21.34 H new ATOM 0 HA THR A 17 -0.479 -4.578 7.671 1.00 12.03 H new ATOM 0 HB THR A 17 -0.563 -1.581 8.198 1.00 12.20 H new ATOM 0 HG1 THR A 17 0.274 -2.247 10.283 1.00 52.23 H new ATOM 0 HG21 THR A 17 -2.100 -2.165 10.035 1.00 65.33 H new ATOM 0 HG22 THR A 17 -2.763 -2.626 8.450 1.00 65.33 H new ATOM 0 HG23 THR A 17 -2.065 -3.867 9.517 1.00 65.33 H new ATOM 234 N LEU A 18 -2.426 -4.246 6.166 1.00 52.42 N ATOM 235 CA LEU A 18 -3.535 -4.118 5.227 1.00 51.50 C ATOM 236 C LEU A 18 -4.537 -3.075 5.709 1.00 22.23 C ATOM 237 O LEU A 18 -5.661 -3.408 6.091 1.00 11.54 O ATOM 238 CB LEU A 18 -4.232 -5.467 5.044 1.00 43.55 C ATOM 239 CG LEU A 18 -5.204 -5.566 3.868 1.00 61.22 C ATOM 240 CD1 LEU A 18 -6.641 -5.445 4.351 1.00 33.12 C ATOM 241 CD2 LEU A 18 -4.896 -4.497 2.830 1.00 73.02 C ATOM 0 H LEU A 18 -2.408 -5.127 6.679 1.00 52.42 H new ATOM 0 HA LEU A 18 -3.132 -3.792 4.268 1.00 51.50 H new ATOM 0 HB2 LEU A 18 -3.468 -6.235 4.923 1.00 43.55 H new ATOM 0 HB3 LEU A 18 -4.776 -5.700 5.960 1.00 43.55 H new ATOM 0 HG LEU A 18 -5.081 -6.543 3.401 1.00 61.22 H new ATOM 0 HD11 LEU A 18 -7.318 -5.518 3.500 1.00 33.12 H new ATOM 0 HD12 LEU A 18 -6.857 -6.248 5.056 1.00 33.12 H new ATOM 0 HD13 LEU A 18 -6.779 -4.483 4.844 1.00 33.12 H new ATOM 0 HD21 LEU A 18 -5.598 -4.583 2.000 1.00 73.02 H new ATOM 0 HD22 LEU A 18 -4.990 -3.511 3.284 1.00 73.02 H new ATOM 0 HD23 LEU A 18 -3.879 -4.631 2.461 1.00 73.02 H new ATOM 252 N LEU A 19 -4.126 -1.812 5.685 1.00 4.25 N ATOM 253 CA LEU A 19 -4.990 -0.718 6.117 1.00 42.40 C ATOM 254 C LEU A 19 -6.304 -0.722 5.341 1.00 52.20 C ATOM 255 O LEU A 19 -6.544 -1.601 4.514 1.00 3.51 O ATOM 256 CB LEU A 19 -4.279 0.623 5.931 1.00 14.44 C ATOM 257 CG LEU A 19 -3.500 1.143 7.139 1.00 13.41 C ATOM 258 CD1 LEU A 19 -2.603 0.053 7.705 1.00 44.23 C ATOM 259 CD2 LEU A 19 -2.679 2.367 6.758 1.00 71.12 C ATOM 0 H LEU A 19 -3.200 -1.520 5.371 1.00 4.25 H new ATOM 0 HA LEU A 19 -5.214 -0.860 7.174 1.00 42.40 H new ATOM 0 HB2 LEU A 19 -3.590 0.533 5.091 1.00 14.44 H new ATOM 0 HB3 LEU A 19 -5.023 1.370 5.654 1.00 14.44 H new ATOM 0 HG LEU A 19 -4.214 1.434 7.909 1.00 13.41 H new ATOM 0 HD11 LEU A 19 -2.056 0.441 8.564 1.00 44.23 H new ATOM 0 HD12 LEU A 19 -3.213 -0.795 8.016 1.00 44.23 H new ATOM 0 HD13 LEU A 19 -1.896 -0.270 6.941 1.00 44.23 H new ATOM 0 HD21 LEU A 19 -2.131 2.724 7.630 1.00 71.12 H new ATOM 0 HD22 LEU A 19 -1.974 2.101 5.970 1.00 71.12 H new ATOM 0 HD23 LEU A 19 -3.343 3.154 6.400 1.00 71.12 H new ATOM 270 N ASN A 20 -7.148 0.267 5.612 1.00 44.10 N ATOM 271 CA ASN A 20 -8.436 0.379 4.939 1.00 25.32 C ATOM 272 C ASN A 20 -8.294 0.109 3.443 1.00 45.12 C ATOM 273 O ASN A 20 -7.691 0.897 2.715 1.00 3.33 O ATOM 274 CB ASN A 20 -9.035 1.769 5.162 1.00 75.03 C ATOM 275 CG ASN A 20 -10.374 1.715 5.872 1.00 32.40 C ATOM 276 OD1 ASN A 20 -10.443 1.443 7.071 1.00 51.32 O ATOM 277 ND2 ASN A 20 -11.446 1.973 5.133 1.00 45.31 N ATOM 0 H ASN A 20 -6.963 1.003 6.294 1.00 44.10 H new ATOM 0 HA ASN A 20 -9.105 -0.369 5.364 1.00 25.32 H new ATOM 0 HB2 ASN A 20 -8.340 2.371 5.748 1.00 75.03 H new ATOM 0 HB3 ASN A 20 -9.157 2.268 4.200 1.00 75.03 H new ATOM 0 HD21 ASN A 20 -12.374 1.950 5.555 1.00 45.31 H new ATOM 0 HD22 ASN A 20 -11.342 2.194 4.143 1.00 45.31 H new ATOM 283 N SER A 21 -8.853 -1.009 2.993 1.00 31.12 N ATOM 284 CA SER A 21 -8.786 -1.385 1.586 1.00 62.13 C ATOM 285 C SER A 21 -10.065 -0.988 0.856 1.00 13.23 C ATOM 286 O SER A 21 -10.373 -1.514 -0.214 1.00 14.34 O ATOM 287 CB SER A 21 -8.554 -2.892 1.449 1.00 3.31 C ATOM 288 OG SER A 21 -9.742 -3.556 1.054 1.00 75.03 O ATOM 0 H SER A 21 -9.358 -1.671 3.583 1.00 31.12 H new ATOM 0 HA SER A 21 -7.949 -0.853 1.133 1.00 62.13 H new ATOM 0 HB2 SER A 21 -7.769 -3.077 0.716 1.00 3.31 H new ATOM 0 HB3 SER A 21 -8.205 -3.298 2.399 1.00 3.31 H new ATOM 0 HG SER A 21 -9.989 -3.274 0.149 1.00 75.03 H new ATOM 293 N THR A 22 -10.807 -0.053 1.442 1.00 24.02 N ATOM 294 CA THR A 22 -12.054 0.415 0.849 1.00 44.31 C ATOM 295 C THR A 22 -11.983 0.389 -0.673 1.00 34.22 C ATOM 296 O THR A 22 -12.758 -0.308 -1.328 1.00 60.30 O ATOM 297 CB THR A 22 -12.393 1.845 1.311 1.00 72.11 C ATOM 298 OG1 THR A 22 -11.189 2.568 1.591 1.00 33.54 O ATOM 299 CG2 THR A 22 -13.273 1.818 2.551 1.00 4.45 C ATOM 0 H THR A 22 -10.566 0.395 2.326 1.00 24.02 H new ATOM 0 HA THR A 22 -12.838 -0.264 1.185 1.00 44.31 H new ATOM 0 HB THR A 22 -12.937 2.343 0.508 1.00 72.11 H new ATOM 0 HG1 THR A 22 -11.413 3.476 1.882 1.00 33.54 H new ATOM 0 HG21 THR A 22 -13.499 2.839 2.859 1.00 4.45 H new ATOM 0 HG22 THR A 22 -14.201 1.292 2.327 1.00 4.45 H new ATOM 0 HG23 THR A 22 -12.750 1.304 3.357 1.00 4.45 H new ATOM 307 N ASN A 23 -11.048 1.151 -1.232 1.00 64.42 N ATOM 308 CA ASN A 23 -10.877 1.214 -2.678 1.00 53.21 C ATOM 309 C ASN A 23 -10.535 -0.160 -3.246 1.00 32.52 C ATOM 310 O ASN A 23 -9.965 -1.005 -2.556 1.00 51.04 O ATOM 311 CB ASN A 23 -9.777 2.214 -3.040 1.00 42.35 C ATOM 312 CG ASN A 23 -10.332 3.497 -3.628 1.00 61.20 C ATOM 313 OD1 ASN A 23 -11.270 4.085 -3.090 1.00 51.40 O ATOM 314 ND2 ASN A 23 -9.754 3.936 -4.740 1.00 55.35 N ATOM 0 H ASN A 23 -10.397 1.733 -0.705 1.00 64.42 H new ATOM 0 HA ASN A 23 -11.819 1.545 -3.115 1.00 53.21 H new ATOM 0 HB2 ASN A 23 -9.195 2.448 -2.149 1.00 42.35 H new ATOM 0 HB3 ASN A 23 -9.094 1.756 -3.755 1.00 42.35 H new ATOM 0 HD21 ASN A 23 -10.085 4.793 -5.183 1.00 55.35 H new ATOM 0 HD22 ASN A 23 -8.979 3.416 -5.151 1.00 55.35 H new ATOM 320 N LYS A 24 -10.889 -0.377 -4.508 1.00 53.40 N ATOM 321 CA LYS A 24 -10.619 -1.647 -5.172 1.00 71.22 C ATOM 322 C LYS A 24 -9.253 -1.628 -5.850 1.00 71.14 C ATOM 323 O LYS A 24 -8.460 -2.558 -5.697 1.00 62.03 O ATOM 324 CB LYS A 24 -11.708 -1.948 -6.204 1.00 61.35 C ATOM 325 CG LYS A 24 -12.680 -3.029 -5.764 1.00 63.33 C ATOM 326 CD LYS A 24 -13.463 -3.588 -6.940 1.00 52.22 C ATOM 327 CE LYS A 24 -14.962 -3.523 -6.694 1.00 44.22 C ATOM 328 NZ LYS A 24 -15.732 -3.476 -7.968 1.00 41.14 N ATOM 0 H LYS A 24 -11.364 0.311 -5.092 1.00 53.40 H new ATOM 0 HA LYS A 24 -10.618 -2.431 -4.414 1.00 71.22 H new ATOM 0 HB2 LYS A 24 -12.264 -1.033 -6.411 1.00 61.35 H new ATOM 0 HB3 LYS A 24 -11.237 -2.253 -7.139 1.00 61.35 H new ATOM 0 HG2 LYS A 24 -12.132 -3.834 -5.275 1.00 63.33 H new ATOM 0 HG3 LYS A 24 -13.371 -2.620 -5.027 1.00 63.33 H new ATOM 0 HD2 LYS A 24 -13.217 -3.027 -7.842 1.00 52.22 H new ATOM 0 HD3 LYS A 24 -13.167 -4.622 -7.117 1.00 52.22 H new ATOM 0 HE2 LYS A 24 -15.273 -4.392 -6.114 1.00 44.22 H new ATOM 0 HE3 LYS A 24 -15.194 -2.641 -6.097 1.00 44.22 H new ATOM 0 HZ1 LYS A 24 -16.749 -3.432 -7.757 1.00 41.14 H new ATOM 0 HZ2 LYS A 24 -15.454 -2.633 -8.511 1.00 41.14 H new ATOM 0 HZ3 LYS A 24 -15.531 -4.330 -8.527 1.00 41.14 H new ATOM 338 N ASP A 25 -8.984 -0.563 -6.597 1.00 74.12 N ATOM 339 CA ASP A 25 -7.711 -0.422 -7.296 1.00 21.34 C ATOM 340 C ASP A 25 -6.648 0.169 -6.376 1.00 21.21 C ATOM 341 O ASP A 25 -5.456 0.116 -6.675 1.00 31.12 O ATOM 342 CB ASP A 25 -7.881 0.460 -8.535 1.00 43.43 C ATOM 343 CG ASP A 25 -8.405 -0.313 -9.728 1.00 0.14 C ATOM 344 OD1 ASP A 25 -7.681 -1.200 -10.225 1.00 74.54 O ATOM 345 OD2 ASP A 25 -9.539 -0.028 -10.169 1.00 70.12 O ATOM 0 H ASP A 25 -9.629 0.215 -6.734 1.00 74.12 H new ATOM 0 HA ASP A 25 -7.383 -1.414 -7.608 1.00 21.34 H new ATOM 0 HB2 ASP A 25 -8.566 1.276 -8.305 1.00 43.43 H new ATOM 0 HB3 ASP A 25 -6.922 0.911 -8.791 1.00 43.43 H new ATOM 349 N TRP A 26 -7.089 0.734 -5.258 1.00 71.11 N ATOM 350 CA TRP A 26 -6.175 1.336 -4.295 1.00 11.41 C ATOM 351 C TRP A 26 -6.425 0.793 -2.893 1.00 61.34 C ATOM 352 O TRP A 26 -7.489 1.012 -2.313 1.00 55.23 O ATOM 353 CB TRP A 26 -6.327 2.858 -4.300 1.00 44.21 C ATOM 354 CG TRP A 26 -5.873 3.497 -5.577 1.00 42.32 C ATOM 355 CD1 TRP A 26 -6.604 3.653 -6.720 1.00 52.00 C ATOM 356 CD2 TRP A 26 -4.585 4.063 -5.841 1.00 32.41 C ATOM 357 NE1 TRP A 26 -5.847 4.282 -7.680 1.00 41.40 N ATOM 358 CE2 TRP A 26 -4.605 4.545 -7.165 1.00 60.41 C ATOM 359 CE3 TRP A 26 -3.417 4.211 -5.089 1.00 25.30 C ATOM 360 CZ2 TRP A 26 -3.502 5.161 -7.749 1.00 11.42 C ATOM 361 CZ3 TRP A 26 -2.324 4.824 -5.670 1.00 53.14 C ATOM 362 CH2 TRP A 26 -2.372 5.294 -6.989 1.00 61.22 C ATOM 0 H TRP A 26 -8.073 0.788 -4.996 1.00 71.11 H new ATOM 0 HA TRP A 26 -5.157 1.078 -4.588 1.00 11.41 H new ATOM 0 HB2 TRP A 26 -7.373 3.112 -4.127 1.00 44.21 H new ATOM 0 HB3 TRP A 26 -5.756 3.275 -3.470 1.00 44.21 H new ATOM 0 HD1 TRP A 26 -7.626 3.330 -6.851 1.00 52.00 H new ATOM 0 HE1 TRP A 26 -6.159 4.515 -8.623 1.00 41.40 H new ATOM 0 HE3 TRP A 26 -3.369 3.852 -4.071 1.00 25.30 H new ATOM 0 HZ2 TRP A 26 -3.537 5.521 -8.766 1.00 11.42 H new ATOM 0 HZ3 TRP A 26 -1.416 4.943 -5.097 1.00 53.14 H new ATOM 0 HH2 TRP A 26 -1.501 5.770 -7.414 1.00 61.22 H new ATOM 372 N TRP A 27 -5.440 0.084 -2.354 1.00 61.45 N ATOM 373 CA TRP A 27 -5.555 -0.492 -1.018 1.00 70.35 C ATOM 374 C TRP A 27 -4.649 0.236 -0.032 1.00 12.33 C ATOM 375 O TRP A 27 -3.425 0.211 -0.163 1.00 41.44 O ATOM 376 CB TRP A 27 -5.204 -1.980 -1.050 1.00 40.03 C ATOM 377 CG TRP A 27 -6.397 -2.868 -1.232 1.00 32.14 C ATOM 378 CD1 TRP A 27 -7.644 -2.492 -1.643 1.00 22.44 C ATOM 379 CD2 TRP A 27 -6.456 -4.281 -1.007 1.00 74.52 C ATOM 380 NE1 TRP A 27 -8.475 -3.586 -1.688 1.00 53.04 N ATOM 381 CE2 TRP A 27 -7.769 -4.696 -1.303 1.00 22.21 C ATOM 382 CE3 TRP A 27 -5.527 -5.237 -0.587 1.00 32.30 C ATOM 383 CZ2 TRP A 27 -8.175 -6.023 -1.191 1.00 53.52 C ATOM 384 CZ3 TRP A 27 -5.930 -6.554 -0.476 1.00 1.40 C ATOM 385 CH2 TRP A 27 -7.244 -6.937 -0.777 1.00 31.53 C ATOM 0 H TRP A 27 -4.553 -0.106 -2.821 1.00 61.45 H new ATOM 0 HA TRP A 27 -6.587 -0.377 -0.687 1.00 70.35 H new ATOM 0 HB2 TRP A 27 -4.498 -2.162 -1.860 1.00 40.03 H new ATOM 0 HB3 TRP A 27 -4.700 -2.247 -0.121 1.00 40.03 H new ATOM 0 HD1 TRP A 27 -7.935 -1.483 -1.896 1.00 22.44 H new ATOM 0 HE1 TRP A 27 -9.457 -3.574 -1.963 1.00 53.04 H new ATOM 0 HE3 TRP A 27 -4.512 -4.951 -0.353 1.00 32.30 H new ATOM 0 HZ2 TRP A 27 -9.187 -6.320 -1.422 1.00 53.52 H new ATOM 0 HZ3 TRP A 27 -5.220 -7.301 -0.152 1.00 1.40 H new ATOM 0 HH2 TRP A 27 -7.528 -7.975 -0.680 1.00 31.53 H new ATOM 395 N LYS A 28 -5.256 0.885 0.956 1.00 71.11 N ATOM 396 CA LYS A 28 -4.504 1.620 1.966 1.00 10.22 C ATOM 397 C LYS A 28 -3.588 0.685 2.749 1.00 52.01 C ATOM 398 O LYS A 28 -4.001 -0.394 3.173 1.00 21.30 O ATOM 399 CB LYS A 28 -5.460 2.334 2.923 1.00 53.24 C ATOM 400 CG LYS A 28 -4.844 3.542 3.609 1.00 54.03 C ATOM 401 CD LYS A 28 -5.721 4.047 4.744 1.00 35.13 C ATOM 402 CE LYS A 28 -5.322 5.450 5.173 1.00 63.33 C ATOM 403 NZ LYS A 28 -6.505 6.273 5.549 1.00 63.55 N ATOM 0 H LYS A 28 -6.268 0.917 1.079 1.00 71.11 H new ATOM 0 HA LYS A 28 -3.888 2.361 1.457 1.00 10.22 H new ATOM 0 HB2 LYS A 28 -6.344 2.652 2.370 1.00 53.24 H new ATOM 0 HB3 LYS A 28 -5.796 1.628 3.682 1.00 53.24 H new ATOM 0 HG2 LYS A 28 -3.860 3.278 3.998 1.00 54.03 H new ATOM 0 HG3 LYS A 28 -4.696 4.339 2.880 1.00 54.03 H new ATOM 0 HD2 LYS A 28 -6.764 4.045 4.428 1.00 35.13 H new ATOM 0 HD3 LYS A 28 -5.644 3.369 5.594 1.00 35.13 H new ATOM 0 HE2 LYS A 28 -4.638 5.390 6.019 1.00 63.33 H new ATOM 0 HE3 LYS A 28 -4.783 5.938 4.361 1.00 63.33 H new ATOM 0 HZ1 LYS A 28 -6.191 7.222 5.835 1.00 63.55 H new ATOM 0 HZ2 LYS A 28 -7.146 6.352 4.734 1.00 63.55 H new ATOM 0 HZ3 LYS A 28 -7.005 5.821 6.341 1.00 63.55 H new ATOM 413 N VAL A 29 -2.341 1.107 2.938 1.00 42.21 N ATOM 414 CA VAL A 29 -1.367 0.308 3.672 1.00 50.41 C ATOM 415 C VAL A 29 -0.424 1.196 4.478 1.00 24.42 C ATOM 416 O VAL A 29 0.006 2.248 4.007 1.00 11.23 O ATOM 417 CB VAL A 29 -0.537 -0.576 2.724 1.00 21.31 C ATOM 418 CG1 VAL A 29 -1.449 -1.411 1.838 1.00 74.32 C ATOM 419 CG2 VAL A 29 0.400 0.278 1.883 1.00 62.31 C ATOM 0 H VAL A 29 -1.982 1.997 2.593 1.00 42.21 H new ATOM 0 HA VAL A 29 -1.930 -0.331 4.352 1.00 50.41 H new ATOM 0 HB VAL A 29 0.068 -1.255 3.325 1.00 21.31 H new ATOM 0 HG11 VAL A 29 -0.845 -2.030 1.174 1.00 74.32 H new ATOM 0 HG12 VAL A 29 -2.075 -2.051 2.460 1.00 74.32 H new ATOM 0 HG13 VAL A 29 -2.082 -0.752 1.243 1.00 74.32 H new ATOM 0 HG21 VAL A 29 0.979 -0.363 1.219 1.00 62.31 H new ATOM 0 HG22 VAL A 29 -0.183 0.982 1.290 1.00 62.31 H new ATOM 0 HG23 VAL A 29 1.077 0.828 2.537 1.00 62.31 H new ATOM 429 N GLU A 30 -0.107 0.763 5.694 1.00 0.34 N ATOM 430 CA GLU A 30 0.786 1.520 6.564 1.00 32.51 C ATOM 431 C GLU A 30 2.231 1.060 6.393 1.00 33.22 C ATOM 432 O GLU A 30 2.490 -0.083 6.017 1.00 15.43 O ATOM 433 CB GLU A 30 0.360 1.366 8.026 1.00 32.42 C ATOM 434 CG GLU A 30 1.429 1.791 9.019 1.00 25.22 C ATOM 435 CD GLU A 30 0.850 2.200 10.359 1.00 62.32 C ATOM 436 OE1 GLU A 30 -0.205 1.651 10.742 1.00 25.24 O ATOM 437 OE2 GLU A 30 1.450 3.069 11.026 1.00 33.21 O ATOM 0 H GLU A 30 -0.454 -0.106 6.099 1.00 0.34 H new ATOM 0 HA GLU A 30 0.722 2.571 6.283 1.00 32.51 H new ATOM 0 HB2 GLU A 30 -0.539 1.957 8.198 1.00 32.42 H new ATOM 0 HB3 GLU A 30 0.097 0.325 8.211 1.00 32.42 H new ATOM 0 HG2 GLU A 30 2.130 0.970 9.166 1.00 25.22 H new ATOM 0 HG3 GLU A 30 1.996 2.624 8.603 1.00 25.22 H new ATOM 442 N VAL A 31 3.169 1.960 6.670 1.00 42.15 N ATOM 443 CA VAL A 31 4.587 1.649 6.548 1.00 53.54 C ATOM 444 C VAL A 31 5.360 2.111 7.779 1.00 1.34 C ATOM 445 O VAL A 31 6.040 3.136 7.749 1.00 32.14 O ATOM 446 CB VAL A 31 5.200 2.303 5.296 1.00 51.41 C ATOM 447 CG1 VAL A 31 6.715 2.176 5.313 1.00 55.03 C ATOM 448 CG2 VAL A 31 4.619 1.684 4.033 1.00 50.03 C ATOM 0 H VAL A 31 2.971 2.911 6.981 1.00 42.15 H new ATOM 0 HA VAL A 31 4.666 0.566 6.458 1.00 53.54 H new ATOM 0 HB VAL A 31 4.949 3.364 5.303 1.00 51.41 H new ATOM 0 HG11 VAL A 31 7.129 2.644 4.420 1.00 55.03 H new ATOM 0 HG12 VAL A 31 7.112 2.671 6.200 1.00 55.03 H new ATOM 0 HG13 VAL A 31 6.992 1.122 5.332 1.00 55.03 H new ATOM 0 HG21 VAL A 31 5.063 2.158 3.158 1.00 50.03 H new ATOM 0 HG22 VAL A 31 4.837 0.616 4.017 1.00 50.03 H new ATOM 0 HG23 VAL A 31 3.539 1.834 4.018 1.00 50.03 H new ATOM 458 N ASN A 32 5.250 1.347 8.861 1.00 61.02 N ATOM 459 CA ASN A 32 5.938 1.678 10.104 1.00 12.42 C ATOM 460 C ASN A 32 5.340 2.928 10.741 1.00 4.20 C ATOM 461 O ASN A 32 4.683 2.854 11.780 1.00 23.15 O ATOM 462 CB ASN A 32 7.431 1.891 9.843 1.00 20.54 C ATOM 463 CG ASN A 32 8.036 0.779 9.007 1.00 43.04 C ATOM 464 OD1 ASN A 32 8.392 -0.279 9.527 1.00 21.22 O ATOM 465 ND2 ASN A 32 8.156 1.014 7.707 1.00 10.45 N ATOM 0 H ASN A 32 4.691 0.495 8.902 1.00 61.02 H new ATOM 0 HA ASN A 32 5.811 0.844 10.794 1.00 12.42 H new ATOM 0 HB2 ASN A 32 7.576 2.844 9.334 1.00 20.54 H new ATOM 0 HB3 ASN A 32 7.958 1.954 10.795 1.00 20.54 H new ATOM 0 HD21 ASN A 32 8.557 0.303 7.095 1.00 10.45 H new ATOM 0 HD22 ASN A 32 7.847 1.906 7.319 1.00 10.45 H new ATOM 471 N ASP A 33 5.570 4.075 10.110 1.00 63.05 N ATOM 472 CA ASP A 33 5.051 5.342 10.615 1.00 34.33 C ATOM 473 C ASP A 33 4.304 6.097 9.520 1.00 0.24 C ATOM 474 O ASP A 33 3.470 6.956 9.804 1.00 63.12 O ATOM 475 CB ASP A 33 6.191 6.203 11.159 1.00 14.50 C ATOM 476 CG ASP A 33 5.996 6.567 12.618 1.00 52.11 C ATOM 477 OD1 ASP A 33 4.896 7.044 12.968 1.00 20.52 O ATOM 478 OD2 ASP A 33 6.943 6.377 13.410 1.00 14.34 O ATOM 0 H ASP A 33 6.112 4.154 9.249 1.00 63.05 H new ATOM 0 HA ASP A 33 4.353 5.125 11.423 1.00 34.33 H new ATOM 0 HB2 ASP A 33 7.134 5.668 11.044 1.00 14.50 H new ATOM 0 HB3 ASP A 33 6.268 7.115 10.567 1.00 14.50 H new ATOM 482 N ARG A 34 4.611 5.771 8.269 1.00 1.24 N ATOM 483 CA ARG A 34 3.970 6.420 7.131 1.00 51.42 C ATOM 484 C ARG A 34 2.880 5.532 6.541 1.00 73.20 C ATOM 485 O ARG A 34 3.147 4.409 6.112 1.00 1.11 O ATOM 486 CB ARG A 34 5.007 6.756 6.057 1.00 41.15 C ATOM 487 CG ARG A 34 6.320 7.276 6.621 1.00 75.23 C ATOM 488 CD ARG A 34 7.513 6.680 5.890 1.00 53.12 C ATOM 489 NE ARG A 34 8.712 7.501 6.041 1.00 34.33 N ATOM 490 CZ ARG A 34 9.538 7.412 7.078 1.00 21.54 C ATOM 491 NH1 ARG A 34 9.295 6.544 8.051 1.00 20.45 N ATOM 492 NH2 ARG A 34 10.609 8.193 7.143 1.00 4.21 N ATOM 0 H ARG A 34 5.299 5.062 8.017 1.00 1.24 H new ATOM 0 HA ARG A 34 3.510 7.343 7.484 1.00 51.42 H new ATOM 0 HB2 ARG A 34 5.204 5.864 5.462 1.00 41.15 H new ATOM 0 HB3 ARG A 34 4.590 7.503 5.382 1.00 41.15 H new ATOM 0 HG2 ARG A 34 6.348 8.363 6.540 1.00 75.23 H new ATOM 0 HG3 ARG A 34 6.383 7.034 7.682 1.00 75.23 H new ATOM 0 HD2 ARG A 34 7.709 5.678 6.272 1.00 53.12 H new ATOM 0 HD3 ARG A 34 7.275 6.577 4.831 1.00 53.12 H new ATOM 0 HE ARG A 34 8.927 8.180 5.310 1.00 34.33 H new ATOM 0 HH11 ARG A 34 8.472 5.943 8.004 1.00 20.45 H new ATOM 0 HH12 ARG A 34 9.931 6.478 8.846 1.00 20.45 H new ATOM 0 HH21 ARG A 34 10.798 8.862 6.397 1.00 4.21 H new ATOM 0 HH22 ARG A 34 11.243 8.124 7.939 1.00 4.21 H new ATOM 503 N GLN A 35 1.653 6.041 6.522 1.00 60.11 N ATOM 504 CA GLN A 35 0.523 5.293 5.985 1.00 61.54 C ATOM 505 C GLN A 35 -0.238 6.120 4.955 1.00 11.11 C ATOM 506 O GLN A 35 -0.472 7.311 5.151 1.00 1.32 O ATOM 507 CB GLN A 35 -0.419 4.870 7.114 1.00 42.02 C ATOM 508 CG GLN A 35 0.170 5.064 8.502 1.00 12.01 C ATOM 509 CD GLN A 35 -0.847 4.838 9.603 1.00 51.35 C ATOM 510 OE1 GLN A 35 -1.170 3.700 9.943 1.00 13.14 O ATOM 511 NE2 GLN A 35 -1.358 5.926 10.170 1.00 13.21 N ATOM 0 H GLN A 35 1.416 6.969 6.873 1.00 60.11 H new ATOM 0 HA GLN A 35 0.912 4.402 5.492 1.00 61.54 H new ATOM 0 HB2 GLN A 35 -1.344 5.442 7.038 1.00 42.02 H new ATOM 0 HB3 GLN A 35 -0.681 3.820 6.983 1.00 42.02 H new ATOM 0 HG2 GLN A 35 1.005 4.377 8.637 1.00 12.01 H new ATOM 0 HG3 GLN A 35 0.571 6.074 8.585 1.00 12.01 H new ATOM 0 HE21 GLN A 35 -1.062 6.851 9.857 1.00 13.21 H new ATOM 0 HE22 GLN A 35 -2.046 5.836 10.918 1.00 13.21 H new ATOM 518 N GLY A 36 -0.622 5.479 3.854 1.00 61.43 N ATOM 519 CA GLY A 36 -1.353 6.172 2.810 1.00 35.15 C ATOM 520 C GLY A 36 -2.027 5.217 1.844 1.00 1.14 C ATOM 521 O GLY A 36 -2.069 4.010 2.079 1.00 53.12 O ATOM 0 H GLY A 36 -0.440 4.493 3.667 1.00 61.43 H new ATOM 0 HA2 GLY A 36 -2.106 6.817 3.264 1.00 35.15 H new ATOM 0 HA3 GLY A 36 -0.670 6.819 2.260 1.00 35.15 H new ATOM 525 N PHE A 37 -2.561 5.759 0.754 1.00 14.52 N ATOM 526 CA PHE A 37 -3.239 4.949 -0.251 1.00 64.14 C ATOM 527 C PHE A 37 -2.257 4.464 -1.312 1.00 23.44 C ATOM 528 O PHE A 37 -1.414 5.225 -1.789 1.00 62.50 O ATOM 529 CB PHE A 37 -4.365 5.750 -0.907 1.00 72.43 C ATOM 530 CG PHE A 37 -5.568 5.929 -0.026 1.00 70.43 C ATOM 531 CD1 PHE A 37 -5.616 6.955 0.904 1.00 52.00 C ATOM 532 CD2 PHE A 37 -6.651 5.070 -0.125 1.00 33.43 C ATOM 533 CE1 PHE A 37 -6.721 7.121 1.716 1.00 45.32 C ATOM 534 CE2 PHE A 37 -7.758 5.230 0.685 1.00 4.23 C ATOM 535 CZ PHE A 37 -7.794 6.259 1.606 1.00 73.52 C ATOM 0 H PHE A 37 -2.537 6.757 0.544 1.00 14.52 H new ATOM 0 HA PHE A 37 -3.666 4.078 0.247 1.00 64.14 H new ATOM 0 HB2 PHE A 37 -3.984 6.731 -1.191 1.00 72.43 H new ATOM 0 HB3 PHE A 37 -4.669 5.248 -1.825 1.00 72.43 H new ATOM 0 HD1 PHE A 37 -4.780 7.633 0.995 1.00 52.00 H new ATOM 0 HD2 PHE A 37 -6.629 4.265 -0.845 1.00 33.43 H new ATOM 0 HE1 PHE A 37 -6.746 7.925 2.437 1.00 45.32 H new ATOM 0 HE2 PHE A 37 -8.594 4.552 0.599 1.00 4.23 H new ATOM 0 HZ PHE A 37 -8.660 6.389 2.239 1.00 73.52 H new ATOM 544 N VAL A 38 -2.373 3.191 -1.680 1.00 72.00 N ATOM 545 CA VAL A 38 -1.496 2.604 -2.686 1.00 41.22 C ATOM 546 C VAL A 38 -2.267 1.661 -3.603 1.00 52.04 C ATOM 547 O VAL A 38 -3.306 1.110 -3.236 1.00 31.03 O ATOM 548 CB VAL A 38 -0.333 1.833 -2.035 1.00 72.20 C ATOM 549 CG1 VAL A 38 0.718 2.798 -1.507 1.00 32.50 C ATOM 550 CG2 VAL A 38 -0.847 0.931 -0.923 1.00 20.41 C ATOM 0 H VAL A 38 -3.065 2.548 -1.296 1.00 72.00 H new ATOM 0 HA VAL A 38 -1.091 3.428 -3.274 1.00 41.22 H new ATOM 0 HB VAL A 38 0.133 1.205 -2.794 1.00 72.20 H new ATOM 0 HG11 VAL A 38 1.532 2.235 -1.050 1.00 32.50 H new ATOM 0 HG12 VAL A 38 1.108 3.397 -2.330 1.00 32.50 H new ATOM 0 HG13 VAL A 38 0.268 3.454 -0.762 1.00 32.50 H new ATOM 0 HG21 VAL A 38 -0.011 0.394 -0.474 1.00 20.41 H new ATOM 0 HG22 VAL A 38 -1.340 1.536 -0.162 1.00 20.41 H new ATOM 0 HG23 VAL A 38 -1.559 0.216 -1.335 1.00 20.41 H new ATOM 560 N PRO A 39 -1.748 1.468 -4.824 1.00 63.52 N ATOM 561 CA PRO A 39 -2.371 0.589 -5.819 1.00 53.11 C ATOM 562 C PRO A 39 -2.270 -0.883 -5.437 1.00 63.31 C ATOM 563 O PRO A 39 -1.176 -1.440 -5.354 1.00 0.04 O ATOM 564 CB PRO A 39 -1.566 0.867 -7.091 1.00 13.45 C ATOM 565 CG PRO A 39 -0.241 1.344 -6.604 1.00 33.33 C ATOM 566 CD PRO A 39 -0.513 2.091 -5.328 1.00 1.11 C ATOM 0 HA PRO A 39 -3.439 0.783 -5.922 1.00 53.11 H new ATOM 0 HB2 PRO A 39 -1.464 -0.032 -7.699 1.00 13.45 H new ATOM 0 HB3 PRO A 39 -2.054 1.619 -7.712 1.00 13.45 H new ATOM 0 HG2 PRO A 39 0.435 0.507 -6.430 1.00 33.33 H new ATOM 0 HG3 PRO A 39 0.236 1.991 -7.341 1.00 33.33 H new ATOM 0 HD2 PRO A 39 0.308 1.987 -4.619 1.00 1.11 H new ATOM 0 HD3 PRO A 39 -0.646 3.158 -5.508 1.00 1.11 H new ATOM 571 N ALA A 40 -3.419 -1.510 -5.204 1.00 5.42 N ATOM 572 CA ALA A 40 -3.461 -2.918 -4.832 1.00 34.54 C ATOM 573 C ALA A 40 -2.672 -3.770 -5.822 1.00 64.34 C ATOM 574 O ALA A 40 -2.235 -4.873 -5.494 1.00 21.14 O ATOM 575 CB ALA A 40 -4.901 -3.401 -4.749 1.00 3.41 C ATOM 0 H ALA A 40 -4.334 -1.064 -5.267 1.00 5.42 H new ATOM 0 HA ALA A 40 -2.998 -3.023 -3.851 1.00 34.54 H new ATOM 0 HB1 ALA A 40 -4.916 -4.455 -4.470 1.00 3.41 H new ATOM 0 HB2 ALA A 40 -5.437 -2.820 -3.999 1.00 3.41 H new ATOM 0 HB3 ALA A 40 -5.383 -3.275 -5.718 1.00 3.41 H new ATOM 581 N ALA A 41 -2.496 -3.252 -7.033 1.00 42.21 N ATOM 582 CA ALA A 41 -1.759 -3.964 -8.069 1.00 52.03 C ATOM 583 C ALA A 41 -0.305 -4.179 -7.660 1.00 21.13 C ATOM 584 O ALA A 41 0.336 -5.135 -8.094 1.00 71.32 O ATOM 585 CB ALA A 41 -1.833 -3.206 -9.385 1.00 10.15 C ATOM 0 H ALA A 41 -2.854 -2.341 -7.321 1.00 42.21 H new ATOM 0 HA ALA A 41 -2.220 -4.943 -8.200 1.00 52.03 H new ATOM 0 HB1 ALA A 41 -1.278 -3.750 -10.150 1.00 10.15 H new ATOM 0 HB2 ALA A 41 -2.875 -3.110 -9.692 1.00 10.15 H new ATOM 0 HB3 ALA A 41 -1.399 -2.214 -9.258 1.00 10.15 H new ATOM 591 N TYR A 42 0.208 -3.283 -6.824 1.00 5.44 N ATOM 592 CA TYR A 42 1.587 -3.373 -6.359 1.00 4.53 C ATOM 593 C TYR A 42 1.682 -4.228 -5.099 1.00 31.34 C ATOM 594 O TYR A 42 2.776 -4.534 -4.625 1.00 70.15 O ATOM 595 CB TYR A 42 2.146 -1.975 -6.085 1.00 71.52 C ATOM 596 CG TYR A 42 2.460 -1.192 -7.339 1.00 55.20 C ATOM 597 CD1 TYR A 42 1.542 -1.108 -8.378 1.00 1.32 C ATOM 598 CD2 TYR A 42 3.676 -0.535 -7.483 1.00 5.35 C ATOM 599 CE1 TYR A 42 1.826 -0.393 -9.526 1.00 60.02 C ATOM 600 CE2 TYR A 42 3.968 0.183 -8.627 1.00 11.43 C ATOM 601 CZ TYR A 42 3.040 0.251 -9.646 1.00 71.33 C ATOM 602 OH TYR A 42 3.325 0.965 -10.787 1.00 73.25 O ATOM 0 H TYR A 42 -0.310 -2.486 -6.455 1.00 5.44 H new ATOM 0 HA TYR A 42 2.179 -3.847 -7.142 1.00 4.53 H new ATOM 0 HB2 TYR A 42 1.426 -1.415 -5.488 1.00 71.52 H new ATOM 0 HB3 TYR A 42 3.053 -2.066 -5.487 1.00 71.52 H new ATOM 0 HD1 TYR A 42 0.590 -1.610 -8.287 1.00 1.32 H new ATOM 0 HD2 TYR A 42 4.405 -0.586 -6.688 1.00 5.35 H new ATOM 0 HE1 TYR A 42 1.101 -0.339 -10.325 1.00 60.02 H new ATOM 0 HE2 TYR A 42 4.918 0.688 -8.723 1.00 11.43 H new ATOM 0 HH TYR A 42 3.693 0.362 -11.467 1.00 73.25 H new ATOM 611 N VAL A 43 0.528 -4.612 -4.564 1.00 51.32 N ATOM 612 CA VAL A 43 0.480 -5.435 -3.360 1.00 1.44 C ATOM 613 C VAL A 43 -0.463 -6.619 -3.542 1.00 12.42 C ATOM 614 O VAL A 43 -1.086 -6.776 -4.592 1.00 42.01 O ATOM 615 CB VAL A 43 0.027 -4.614 -2.138 1.00 22.14 C ATOM 616 CG1 VAL A 43 1.146 -3.698 -1.664 1.00 24.41 C ATOM 617 CG2 VAL A 43 -1.224 -3.813 -2.469 1.00 10.20 C ATOM 0 H VAL A 43 -0.386 -4.367 -4.944 1.00 51.32 H new ATOM 0 HA VAL A 43 1.491 -5.803 -3.186 1.00 1.44 H new ATOM 0 HB VAL A 43 -0.213 -5.303 -1.328 1.00 22.14 H new ATOM 0 HG11 VAL A 43 0.807 -3.126 -0.800 1.00 24.41 H new ATOM 0 HG12 VAL A 43 2.013 -4.297 -1.385 1.00 24.41 H new ATOM 0 HG13 VAL A 43 1.421 -3.014 -2.467 1.00 24.41 H new ATOM 0 HG21 VAL A 43 -1.530 -3.239 -1.595 1.00 10.20 H new ATOM 0 HG22 VAL A 43 -1.013 -3.133 -3.294 1.00 10.20 H new ATOM 0 HG23 VAL A 43 -2.026 -4.493 -2.756 1.00 10.20 H new ATOM 627 N LYS A 44 -0.563 -7.450 -2.511 1.00 43.12 N ATOM 628 CA LYS A 44 -1.431 -8.621 -2.553 1.00 24.10 C ATOM 629 C LYS A 44 -1.593 -9.229 -1.164 1.00 60.44 C ATOM 630 O LYS A 44 -0.641 -9.289 -0.385 1.00 14.24 O ATOM 631 CB LYS A 44 -0.865 -9.666 -3.517 1.00 64.13 C ATOM 632 CG LYS A 44 -1.410 -11.065 -3.286 1.00 61.23 C ATOM 633 CD LYS A 44 -0.377 -11.964 -2.626 1.00 42.14 C ATOM 634 CE LYS A 44 0.907 -12.027 -3.438 1.00 31.03 C ATOM 635 NZ LYS A 44 1.227 -13.419 -3.861 1.00 23.11 N ATOM 0 H LYS A 44 -0.053 -7.335 -1.635 1.00 43.12 H new ATOM 0 HA LYS A 44 -2.412 -8.303 -2.907 1.00 24.10 H new ATOM 0 HB2 LYS A 44 -1.088 -9.363 -4.540 1.00 64.13 H new ATOM 0 HB3 LYS A 44 0.220 -9.687 -3.420 1.00 64.13 H new ATOM 0 HG2 LYS A 44 -2.300 -11.011 -2.659 1.00 61.23 H new ATOM 0 HG3 LYS A 44 -1.716 -11.499 -4.238 1.00 61.23 H new ATOM 0 HD2 LYS A 44 -0.158 -11.594 -1.625 1.00 42.14 H new ATOM 0 HD3 LYS A 44 -0.786 -12.968 -2.512 1.00 42.14 H new ATOM 0 HE2 LYS A 44 0.811 -11.392 -4.319 1.00 31.03 H new ATOM 0 HE3 LYS A 44 1.731 -11.629 -2.846 1.00 31.03 H new ATOM 0 HZ1 LYS A 44 2.109 -13.420 -4.412 1.00 23.11 H new ATOM 0 HZ2 LYS A 44 1.343 -14.019 -3.020 1.00 23.11 H new ATOM 0 HZ3 LYS A 44 0.452 -13.791 -4.447 1.00 23.11 H new ATOM 645 N LYS A 45 -2.804 -9.682 -0.858 1.00 72.31 N ATOM 646 CA LYS A 45 -3.091 -10.290 0.436 1.00 50.12 C ATOM 647 C LYS A 45 -2.307 -11.586 0.614 1.00 21.21 C ATOM 648 O LYS A 45 -2.139 -12.357 -0.332 1.00 14.52 O ATOM 649 CB LYS A 45 -4.590 -10.565 0.573 1.00 12.11 C ATOM 650 CG LYS A 45 -5.270 -9.711 1.629 1.00 64.02 C ATOM 651 CD LYS A 45 -6.703 -10.158 1.869 1.00 72.22 C ATOM 652 CE LYS A 45 -7.666 -8.981 1.847 1.00 54.51 C ATOM 653 NZ LYS A 45 -8.963 -9.337 1.209 1.00 71.00 N ATOM 0 H LYS A 45 -3.604 -9.639 -1.490 1.00 72.31 H new ATOM 0 HA LYS A 45 -2.784 -9.591 1.214 1.00 50.12 H new ATOM 0 HB2 LYS A 45 -5.072 -10.391 -0.389 1.00 12.11 H new ATOM 0 HB3 LYS A 45 -4.737 -11.617 0.818 1.00 12.11 H new ATOM 0 HG2 LYS A 45 -4.709 -9.768 2.562 1.00 64.02 H new ATOM 0 HG3 LYS A 45 -5.261 -8.667 1.315 1.00 64.02 H new ATOM 0 HD2 LYS A 45 -6.992 -10.880 1.106 1.00 72.22 H new ATOM 0 HD3 LYS A 45 -6.770 -10.666 2.831 1.00 72.22 H new ATOM 0 HE2 LYS A 45 -7.845 -8.639 2.866 1.00 54.51 H new ATOM 0 HE3 LYS A 45 -7.212 -8.150 1.307 1.00 54.51 H new ATOM 0 HZ1 LYS A 45 -9.591 -8.508 1.214 1.00 71.00 H new ATOM 0 HZ2 LYS A 45 -8.796 -9.639 0.228 1.00 71.00 H new ATOM 0 HZ3 LYS A 45 -9.409 -10.113 1.739 1.00 71.00 H new ATOM 663 N LEU A 46 -1.832 -11.823 1.832 1.00 12.11 N ATOM 664 CA LEU A 46 -1.067 -13.028 2.135 1.00 3.43 C ATOM 665 C LEU A 46 -1.861 -13.961 3.043 1.00 74.11 C ATOM 666 O LEU A 46 -3.012 -13.686 3.381 1.00 54.21 O ATOM 667 CB LEU A 46 0.261 -12.660 2.798 1.00 1.33 C ATOM 668 CG LEU A 46 1.137 -11.663 2.036 1.00 40.04 C ATOM 669 CD1 LEU A 46 2.165 -11.037 2.967 1.00 71.51 C ATOM 670 CD2 LEU A 46 1.824 -12.345 0.863 1.00 22.43 C ATOM 0 H LEU A 46 -1.963 -11.196 2.626 1.00 12.11 H new ATOM 0 HA LEU A 46 -0.866 -13.547 1.198 1.00 3.43 H new ATOM 0 HB2 LEU A 46 0.050 -12.248 3.785 1.00 1.33 H new ATOM 0 HB3 LEU A 46 0.834 -13.575 2.950 1.00 1.33 H new ATOM 0 HG LEU A 46 0.498 -10.870 1.646 1.00 40.04 H new ATOM 0 HD11 LEU A 46 2.779 -10.331 2.408 1.00 71.51 H new ATOM 0 HD12 LEU A 46 1.653 -10.513 3.775 1.00 71.51 H new ATOM 0 HD13 LEU A 46 2.800 -11.818 3.386 1.00 71.51 H new ATOM 0 HD21 LEU A 46 2.443 -11.621 0.333 1.00 22.43 H new ATOM 0 HD22 LEU A 46 2.451 -13.158 1.231 1.00 22.43 H new ATOM 0 HD23 LEU A 46 1.072 -12.746 0.184 1.00 22.43 H new ATOM 681 N ASP A 47 -1.236 -15.066 3.437 1.00 71.03 N ATOM 682 CA ASP A 47 -1.882 -16.040 4.309 1.00 2.31 C ATOM 683 C ASP A 47 -1.207 -16.076 5.677 1.00 63.11 C ATOM 684 O ASP A 47 -0.083 -16.560 5.813 1.00 64.14 O ATOM 685 CB ASP A 47 -1.846 -17.430 3.673 1.00 33.24 C ATOM 686 CG ASP A 47 -3.213 -18.084 3.634 1.00 31.22 C ATOM 687 OD1 ASP A 47 -4.140 -17.488 3.046 1.00 43.13 O ATOM 688 OD2 ASP A 47 -3.355 -19.193 4.190 1.00 4.34 O ATOM 0 H ASP A 47 -0.283 -15.309 3.166 1.00 71.03 H new ATOM 0 HA ASP A 47 -2.921 -15.738 4.443 1.00 2.31 H new ATOM 0 HB2 ASP A 47 -1.455 -17.352 2.659 1.00 33.24 H new ATOM 0 HB3 ASP A 47 -1.159 -18.065 4.232 1.00 33.24 H new ATOM 692 N SER A 48 -1.899 -15.559 6.687 1.00 4.15 N ATOM 693 CA SER A 48 -1.365 -15.527 8.043 1.00 1.13 C ATOM 694 C SER A 48 -1.855 -16.727 8.848 1.00 2.05 C ATOM 695 O SER A 48 -1.061 -17.537 9.322 1.00 53.34 O ATOM 696 CB SER A 48 -1.771 -14.229 8.743 1.00 54.32 C ATOM 697 OG SER A 48 -0.957 -13.986 9.878 1.00 12.43 O ATOM 0 H SER A 48 -2.831 -15.156 6.592 1.00 4.15 H new ATOM 0 HA SER A 48 -0.278 -15.573 7.980 1.00 1.13 H new ATOM 0 HB2 SER A 48 -1.688 -13.395 8.046 1.00 54.32 H new ATOM 0 HB3 SER A 48 -2.816 -14.287 9.047 1.00 54.32 H new ATOM 0 HG SER A 48 -0.875 -13.020 10.021 1.00 12.43 H new ATOM 702 N GLY A 49 -3.172 -16.834 8.998 1.00 2.32 N ATOM 703 CA GLY A 49 -3.747 -17.937 9.746 1.00 1.23 C ATOM 704 C GLY A 49 -4.685 -17.468 10.840 1.00 30.02 C ATOM 705 O GLY A 49 -5.895 -17.689 10.768 1.00 55.35 O ATOM 0 H GLY A 49 -3.851 -16.176 8.615 1.00 2.32 H new ATOM 0 HA2 GLY A 49 -4.288 -18.592 9.063 1.00 1.23 H new ATOM 0 HA3 GLY A 49 -2.946 -18.529 10.188 1.00 1.23 H new ATOM 709 N THR A 50 -4.127 -16.820 11.859 1.00 60.51 N ATOM 710 CA THR A 50 -4.922 -16.323 12.975 1.00 2.43 C ATOM 711 C THR A 50 -6.076 -15.456 12.484 1.00 75.41 C ATOM 712 O THR A 50 -7.197 -15.559 12.981 1.00 63.05 O ATOM 713 CB THR A 50 -4.061 -15.505 13.956 1.00 21.12 C ATOM 714 OG1 THR A 50 -4.895 -14.889 14.944 1.00 4.25 O ATOM 715 CG2 THR A 50 -3.267 -14.437 13.218 1.00 70.13 C ATOM 0 H THR A 50 -3.128 -16.628 11.934 1.00 60.51 H new ATOM 0 HA THR A 50 -5.321 -17.195 13.493 1.00 2.43 H new ATOM 0 HB THR A 50 -3.361 -16.184 14.444 1.00 21.12 H new ATOM 0 HG1 THR A 50 -4.340 -14.372 15.565 1.00 4.25 H new ATOM 0 HG21 THR A 50 -2.667 -13.872 13.931 1.00 70.13 H new ATOM 0 HG22 THR A 50 -2.612 -14.911 12.487 1.00 70.13 H new ATOM 0 HG23 THR A 50 -3.953 -13.762 12.706 1.00 70.13 H new ATOM 723 N GLY A 51 -5.794 -14.602 11.505 1.00 43.33 N ATOM 724 CA GLY A 51 -6.820 -13.729 10.964 1.00 23.33 C ATOM 725 C GLY A 51 -6.356 -12.292 10.847 1.00 43.21 C ATOM 726 O GLY A 51 -7.165 -11.364 10.894 1.00 10.32 O ATOM 0 H GLY A 51 -4.874 -14.499 11.077 1.00 43.33 H new ATOM 0 HA2 GLY A 51 -7.120 -14.092 9.981 1.00 23.33 H new ATOM 0 HA3 GLY A 51 -7.703 -13.772 11.602 1.00 23.33 H new ATOM 730 N LYS A 52 -5.049 -12.104 10.696 1.00 42.32 N ATOM 731 CA LYS A 52 -4.477 -10.768 10.572 1.00 61.25 C ATOM 732 C LYS A 52 -4.748 -10.186 9.189 1.00 11.20 C ATOM 733 O LYS A 52 -5.122 -10.907 8.266 1.00 24.14 O ATOM 734 CB LYS A 52 -2.970 -10.810 10.834 1.00 64.22 C ATOM 735 CG LYS A 52 -2.609 -10.833 12.310 1.00 23.21 C ATOM 736 CD LYS A 52 -2.880 -9.492 12.971 1.00 33.45 C ATOM 737 CE LYS A 52 -3.153 -9.649 14.459 1.00 21.22 C ATOM 738 NZ LYS A 52 -2.286 -8.759 15.279 1.00 41.33 N ATOM 0 H LYS A 52 -4.366 -12.860 10.657 1.00 42.32 H new ATOM 0 HA LYS A 52 -4.951 -10.127 11.315 1.00 61.25 H new ATOM 0 HB2 LYS A 52 -2.551 -11.693 10.352 1.00 64.22 H new ATOM 0 HB3 LYS A 52 -2.504 -9.941 10.368 1.00 64.22 H new ATOM 0 HG2 LYS A 52 -3.183 -11.611 12.814 1.00 23.21 H new ATOM 0 HG3 LYS A 52 -1.556 -11.090 12.424 1.00 23.21 H new ATOM 0 HD2 LYS A 52 -2.024 -8.833 12.825 1.00 33.45 H new ATOM 0 HD3 LYS A 52 -3.735 -9.015 12.492 1.00 33.45 H new ATOM 0 HE2 LYS A 52 -4.200 -9.423 14.662 1.00 21.22 H new ATOM 0 HE3 LYS A 52 -2.988 -10.686 14.751 1.00 21.22 H new ATOM 0 HZ1 LYS A 52 -2.503 -8.896 16.287 1.00 41.33 H new ATOM 0 HZ2 LYS A 52 -1.287 -8.991 15.105 1.00 41.33 H new ATOM 0 HZ3 LYS A 52 -2.462 -7.768 15.019 1.00 41.33 H new ATOM 748 N GLU A 53 -4.553 -8.877 9.054 1.00 62.43 N ATOM 749 CA GLU A 53 -4.777 -8.200 7.782 1.00 73.22 C ATOM 750 C GLU A 53 -3.479 -7.594 7.254 1.00 4.20 C ATOM 751 O GLU A 53 -3.170 -6.432 7.521 1.00 50.01 O ATOM 752 CB GLU A 53 -5.836 -7.108 7.939 1.00 43.34 C ATOM 753 CG GLU A 53 -6.939 -7.466 8.921 1.00 70.34 C ATOM 754 CD GLU A 53 -8.120 -6.518 8.845 1.00 13.33 C ATOM 755 OE1 GLU A 53 -8.948 -6.675 7.924 1.00 11.34 O ATOM 756 OE2 GLU A 53 -8.215 -5.619 9.707 1.00 32.13 O ATOM 0 H GLU A 53 -4.241 -8.266 9.809 1.00 62.43 H new ATOM 0 HA GLU A 53 -5.133 -8.939 7.064 1.00 73.22 H new ATOM 0 HB2 GLU A 53 -5.352 -6.189 8.269 1.00 43.34 H new ATOM 0 HB3 GLU A 53 -6.281 -6.902 6.965 1.00 43.34 H new ATOM 0 HG2 GLU A 53 -7.280 -8.482 8.723 1.00 70.34 H new ATOM 0 HG3 GLU A 53 -6.536 -7.457 9.934 1.00 70.34 H new ATOM 761 N LEU A 54 -2.724 -8.389 6.504 1.00 2.24 N ATOM 762 CA LEU A 54 -1.460 -7.930 5.938 1.00 73.55 C ATOM 763 C LEU A 54 -1.457 -8.080 4.420 1.00 71.42 C ATOM 764 O LEU A 54 -2.243 -8.845 3.859 1.00 41.42 O ATOM 765 CB LEU A 54 -0.294 -8.717 6.541 1.00 62.42 C ATOM 766 CG LEU A 54 -0.625 -10.119 7.055 1.00 43.05 C ATOM 767 CD1 LEU A 54 -0.855 -11.073 5.894 1.00 60.31 C ATOM 768 CD2 LEU A 54 0.487 -10.632 7.958 1.00 52.22 C ATOM 0 H LEU A 54 -2.964 -9.353 6.274 1.00 2.24 H new ATOM 0 HA LEU A 54 -1.343 -6.874 6.181 1.00 73.55 H new ATOM 0 HB2 LEU A 54 0.488 -8.804 5.787 1.00 62.42 H new ATOM 0 HB3 LEU A 54 0.121 -8.138 7.366 1.00 62.42 H new ATOM 0 HG LEU A 54 -1.544 -10.064 7.639 1.00 43.05 H new ATOM 0 HD11 LEU A 54 -1.089 -12.065 6.279 1.00 60.31 H new ATOM 0 HD12 LEU A 54 -1.686 -10.714 5.287 1.00 60.31 H new ATOM 0 HD13 LEU A 54 0.045 -11.125 5.282 1.00 60.31 H new ATOM 0 HD21 LEU A 54 0.235 -11.631 8.315 1.00 52.22 H new ATOM 0 HD22 LEU A 54 1.421 -10.672 7.398 1.00 52.22 H new ATOM 0 HD23 LEU A 54 0.603 -9.961 8.809 1.00 52.22 H new ATOM 779 N VAL A 55 -0.566 -7.347 3.760 1.00 1.40 N ATOM 780 CA VAL A 55 -0.459 -7.400 2.307 1.00 70.41 C ATOM 781 C VAL A 55 0.974 -7.144 1.852 1.00 4.45 C ATOM 782 O VAL A 55 1.527 -6.068 2.085 1.00 14.30 O ATOM 783 CB VAL A 55 -1.390 -6.373 1.637 1.00 0.13 C ATOM 784 CG1 VAL A 55 -2.752 -6.990 1.357 1.00 33.14 C ATOM 785 CG2 VAL A 55 -1.527 -5.132 2.506 1.00 61.13 C ATOM 0 H VAL A 55 0.092 -6.710 4.208 1.00 1.40 H new ATOM 0 HA VAL A 55 -0.760 -8.403 2.004 1.00 70.41 H new ATOM 0 HB VAL A 55 -0.949 -6.076 0.685 1.00 0.13 H new ATOM 0 HG11 VAL A 55 -3.397 -6.249 0.883 1.00 33.14 H new ATOM 0 HG12 VAL A 55 -2.634 -7.846 0.693 1.00 33.14 H new ATOM 0 HG13 VAL A 55 -3.203 -7.317 2.294 1.00 33.14 H new ATOM 0 HG21 VAL A 55 -2.188 -4.417 2.017 1.00 61.13 H new ATOM 0 HG22 VAL A 55 -1.945 -5.410 3.474 1.00 61.13 H new ATOM 0 HG23 VAL A 55 -0.546 -4.679 2.651 1.00 61.13 H new ATOM 795 N LEU A 56 1.570 -8.136 1.202 1.00 63.54 N ATOM 796 CA LEU A 56 2.939 -8.019 0.714 1.00 2.32 C ATOM 797 C LEU A 56 3.017 -7.047 -0.459 1.00 31.43 C ATOM 798 O LEU A 56 2.055 -6.887 -1.210 1.00 44.22 O ATOM 799 CB LEU A 56 3.471 -9.389 0.292 1.00 63.44 C ATOM 800 CG LEU A 56 4.932 -9.434 -0.157 1.00 70.23 C ATOM 801 CD1 LEU A 56 5.668 -10.570 0.536 1.00 35.42 C ATOM 802 CD2 LEU A 56 5.022 -9.581 -1.668 1.00 24.30 C ATOM 0 H LEU A 56 1.126 -9.032 1.000 1.00 63.54 H new ATOM 0 HA LEU A 56 3.556 -7.632 1.525 1.00 2.32 H new ATOM 0 HB2 LEU A 56 3.348 -10.077 1.128 1.00 63.44 H new ATOM 0 HB3 LEU A 56 2.850 -9.762 -0.522 1.00 63.44 H new ATOM 0 HG LEU A 56 5.408 -8.495 0.125 1.00 70.23 H new ATOM 0 HD11 LEU A 56 6.706 -10.587 0.204 1.00 35.42 H new ATOM 0 HD12 LEU A 56 5.634 -10.421 1.615 1.00 35.42 H new ATOM 0 HD13 LEU A 56 5.192 -11.518 0.286 1.00 35.42 H new ATOM 0 HD21 LEU A 56 6.069 -9.611 -1.969 1.00 24.30 H new ATOM 0 HD22 LEU A 56 4.530 -10.504 -1.974 1.00 24.30 H new ATOM 0 HD23 LEU A 56 4.532 -8.733 -2.146 1.00 24.30 H new ATOM 813 N ALA A 57 4.169 -6.403 -0.613 1.00 62.34 N ATOM 814 CA ALA A 57 4.374 -5.452 -1.698 1.00 13.10 C ATOM 815 C ALA A 57 5.005 -6.128 -2.910 1.00 73.25 C ATOM 816 O ALA A 57 6.212 -6.375 -2.937 1.00 72.21 O ATOM 817 CB ALA A 57 5.240 -4.293 -1.227 1.00 51.43 C ATOM 0 H ALA A 57 4.975 -6.523 0.000 1.00 62.34 H new ATOM 0 HA ALA A 57 3.400 -5.065 -1.998 1.00 13.10 H new ATOM 0 HB1 ALA A 57 5.385 -3.590 -2.048 1.00 51.43 H new ATOM 0 HB2 ALA A 57 4.748 -3.785 -0.397 1.00 51.43 H new ATOM 0 HB3 ALA A 57 6.208 -4.672 -0.899 1.00 51.43 H new ATOM 823 N LEU A 58 4.184 -6.426 -3.910 1.00 4.51 N ATOM 824 CA LEU A 58 4.662 -7.075 -5.126 1.00 21.43 C ATOM 825 C LEU A 58 5.620 -6.165 -5.889 1.00 42.03 C ATOM 826 O LEU A 58 6.656 -6.610 -6.380 1.00 35.35 O ATOM 827 CB LEU A 58 3.483 -7.458 -6.022 1.00 44.43 C ATOM 828 CG LEU A 58 2.193 -7.853 -5.301 1.00 44.42 C ATOM 829 CD1 LEU A 58 1.164 -8.370 -6.292 1.00 24.24 C ATOM 830 CD2 LEU A 58 2.477 -8.897 -4.231 1.00 53.24 C ATOM 0 H LEU A 58 3.183 -6.229 -3.903 1.00 4.51 H new ATOM 0 HA LEU A 58 5.200 -7.978 -4.838 1.00 21.43 H new ATOM 0 HB2 LEU A 58 3.265 -6.617 -6.681 1.00 44.43 H new ATOM 0 HB3 LEU A 58 3.790 -8.289 -6.657 1.00 44.43 H new ATOM 0 HG LEU A 58 1.786 -6.966 -4.816 1.00 44.42 H new ATOM 0 HD11 LEU A 58 0.253 -8.646 -5.760 1.00 24.24 H new ATOM 0 HD12 LEU A 58 0.937 -7.591 -7.020 1.00 24.24 H new ATOM 0 HD13 LEU A 58 1.562 -9.244 -6.807 1.00 24.24 H new ATOM 0 HD21 LEU A 58 1.548 -9.166 -3.729 1.00 53.24 H new ATOM 0 HD22 LEU A 58 2.909 -9.784 -4.694 1.00 53.24 H new ATOM 0 HD23 LEU A 58 3.178 -8.490 -3.503 1.00 53.24 H new ATOM 841 N TYR A 59 5.266 -4.888 -5.980 1.00 14.05 N ATOM 842 CA TYR A 59 6.093 -3.914 -6.683 1.00 53.14 C ATOM 843 C TYR A 59 6.416 -2.723 -5.784 1.00 35.52 C ATOM 844 O TYR A 59 5.797 -2.536 -4.737 1.00 60.41 O ATOM 845 CB TYR A 59 5.387 -3.434 -7.951 1.00 11.50 C ATOM 846 CG TYR A 59 4.599 -4.516 -8.652 1.00 34.43 C ATOM 847 CD1 TYR A 59 5.133 -5.787 -8.828 1.00 63.32 C ATOM 848 CD2 TYR A 59 3.323 -4.268 -9.143 1.00 41.33 C ATOM 849 CE1 TYR A 59 4.417 -6.780 -9.469 1.00 71.43 C ATOM 850 CE2 TYR A 59 2.600 -5.255 -9.784 1.00 42.51 C ATOM 851 CZ TYR A 59 3.150 -6.509 -9.945 1.00 54.42 C ATOM 852 OH TYR A 59 2.434 -7.495 -10.584 1.00 5.11 O ATOM 0 H TYR A 59 4.412 -4.503 -5.576 1.00 14.05 H new ATOM 0 HA TYR A 59 7.028 -4.402 -6.959 1.00 53.14 H new ATOM 0 HB2 TYR A 59 4.715 -2.615 -7.695 1.00 11.50 H new ATOM 0 HB3 TYR A 59 6.130 -3.033 -8.640 1.00 11.50 H new ATOM 0 HD1 TYR A 59 6.124 -6.002 -8.458 1.00 63.32 H new ATOM 0 HD2 TYR A 59 2.889 -3.287 -9.021 1.00 41.33 H new ATOM 0 HE1 TYR A 59 4.846 -7.763 -9.597 1.00 71.43 H new ATOM 0 HE2 TYR A 59 1.608 -5.045 -10.157 1.00 42.51 H new ATOM 0 HH TYR A 59 1.562 -7.141 -10.856 1.00 5.11 H new ATOM 861 N ASP A 60 7.390 -1.923 -6.203 1.00 4.31 N ATOM 862 CA ASP A 60 7.795 -0.748 -5.438 1.00 1.13 C ATOM 863 C ASP A 60 6.874 0.434 -5.728 1.00 73.34 C ATOM 864 O ASP A 60 6.436 0.628 -6.862 1.00 72.01 O ATOM 865 CB ASP A 60 9.242 -0.376 -5.765 1.00 40.31 C ATOM 866 CG ASP A 60 9.536 -0.440 -7.251 1.00 64.53 C ATOM 867 OD1 ASP A 60 9.067 0.453 -7.987 1.00 74.32 O ATOM 868 OD2 ASP A 60 10.232 -1.385 -7.677 1.00 73.53 O ATOM 0 H ASP A 60 7.913 -2.066 -7.067 1.00 4.31 H new ATOM 0 HA ASP A 60 7.721 -0.991 -4.378 1.00 1.13 H new ATOM 0 HB2 ASP A 60 9.446 0.631 -5.400 1.00 40.31 H new ATOM 0 HB3 ASP A 60 9.916 -1.050 -5.235 1.00 40.31 H new ATOM 872 N TYR A 61 6.584 1.218 -4.695 1.00 33.22 N ATOM 873 CA TYR A 61 5.713 2.378 -4.839 1.00 62.11 C ATOM 874 C TYR A 61 6.123 3.489 -3.877 1.00 42.23 C ATOM 875 O TYR A 61 6.755 3.234 -2.852 1.00 45.23 O ATOM 876 CB TYR A 61 4.257 1.982 -4.587 1.00 63.32 C ATOM 877 CG TYR A 61 3.280 3.121 -4.773 1.00 65.32 C ATOM 878 CD1 TYR A 61 3.240 4.181 -3.876 1.00 3.21 C ATOM 879 CD2 TYR A 61 2.395 3.136 -5.843 1.00 35.44 C ATOM 880 CE1 TYR A 61 2.349 5.223 -4.041 1.00 5.22 C ATOM 881 CE2 TYR A 61 1.501 4.174 -6.017 1.00 34.14 C ATOM 882 CZ TYR A 61 1.481 5.215 -5.114 1.00 11.34 C ATOM 883 OH TYR A 61 0.591 6.251 -5.283 1.00 21.10 O ATOM 0 H TYR A 61 6.939 1.071 -3.750 1.00 33.22 H new ATOM 0 HA TYR A 61 5.811 2.750 -5.859 1.00 62.11 H new ATOM 0 HB2 TYR A 61 3.988 1.170 -5.262 1.00 63.32 H new ATOM 0 HB3 TYR A 61 4.164 1.597 -3.572 1.00 63.32 H new ATOM 0 HD1 TYR A 61 3.918 4.190 -3.035 1.00 3.21 H new ATOM 0 HD2 TYR A 61 2.406 2.321 -6.552 1.00 35.44 H new ATOM 0 HE1 TYR A 61 2.331 6.040 -3.334 1.00 5.22 H new ATOM 0 HE2 TYR A 61 0.821 4.170 -6.856 1.00 34.14 H new ATOM 0 HH TYR A 61 -0.107 5.983 -5.917 1.00 21.10 H new ATOM 892 N GLN A 62 5.760 4.721 -4.217 1.00 64.14 N ATOM 893 CA GLN A 62 6.089 5.872 -3.384 1.00 31.21 C ATOM 894 C GLN A 62 4.932 6.864 -3.344 1.00 51.10 C ATOM 895 O GLN A 62 4.532 7.406 -4.374 1.00 41.24 O ATOM 896 CB GLN A 62 7.351 6.561 -3.907 1.00 4.31 C ATOM 897 CG GLN A 62 7.437 8.032 -3.536 1.00 14.54 C ATOM 898 CD GLN A 62 7.636 8.250 -2.049 1.00 24.40 C ATOM 899 OE1 GLN A 62 8.765 8.305 -1.562 1.00 35.11 O ATOM 900 NE2 GLN A 62 6.534 8.374 -1.317 1.00 72.53 N ATOM 0 H GLN A 62 5.238 4.948 -5.063 1.00 64.14 H new ATOM 0 HA GLN A 62 6.272 5.516 -2.370 1.00 31.21 H new ATOM 0 HB2 GLN A 62 8.227 6.044 -3.515 1.00 4.31 H new ATOM 0 HB3 GLN A 62 7.384 6.466 -4.992 1.00 4.31 H new ATOM 0 HG2 GLN A 62 8.262 8.492 -4.080 1.00 14.54 H new ATOM 0 HG3 GLN A 62 6.525 8.537 -3.854 1.00 14.54 H new ATOM 0 HE21 GLN A 62 5.618 8.322 -1.762 1.00 72.53 H new ATOM 0 HE22 GLN A 62 6.604 8.521 -0.310 1.00 72.53 H new ATOM 907 N GLU A 63 4.400 7.097 -2.149 1.00 43.15 N ATOM 908 CA GLU A 63 3.287 8.024 -1.976 1.00 42.23 C ATOM 909 C GLU A 63 3.710 9.233 -1.146 1.00 70.11 C ATOM 910 O GLU A 63 4.393 9.094 -0.131 1.00 65.05 O ATOM 911 CB GLU A 63 2.106 7.319 -1.306 1.00 0.41 C ATOM 912 CG GLU A 63 0.772 7.590 -1.983 1.00 72.41 C ATOM 913 CD GLU A 63 0.727 8.944 -2.661 1.00 4.45 C ATOM 914 OE1 GLU A 63 0.605 9.961 -1.947 1.00 5.35 O ATOM 915 OE2 GLU A 63 0.812 8.988 -3.907 1.00 54.03 O ATOM 0 H GLU A 63 4.721 6.657 -1.286 1.00 43.15 H new ATOM 0 HA GLU A 63 2.980 8.372 -2.963 1.00 42.23 H new ATOM 0 HB2 GLU A 63 2.290 6.245 -1.301 1.00 0.41 H new ATOM 0 HB3 GLU A 63 2.047 7.637 -0.265 1.00 0.41 H new ATOM 0 HG2 GLU A 63 0.579 6.812 -2.721 1.00 72.41 H new ATOM 0 HG3 GLU A 63 -0.026 7.532 -1.242 1.00 72.41 H new ATOM 920 N SER A 64 3.300 10.418 -1.586 1.00 40.00 N ATOM 921 CA SER A 64 3.640 11.652 -0.887 1.00 65.40 C ATOM 922 C SER A 64 2.404 12.265 -0.234 1.00 21.44 C ATOM 923 O SER A 64 1.572 12.875 -0.904 1.00 12.42 O ATOM 924 CB SER A 64 4.269 12.655 -1.855 1.00 44.41 C ATOM 925 OG SER A 64 5.139 13.543 -1.175 1.00 14.33 O ATOM 0 H SER A 64 2.732 10.550 -2.423 1.00 40.00 H new ATOM 0 HA SER A 64 4.361 11.411 -0.106 1.00 65.40 H new ATOM 0 HB2 SER A 64 4.821 12.121 -2.629 1.00 44.41 H new ATOM 0 HB3 SER A 64 3.485 13.222 -2.357 1.00 44.41 H new ATOM 0 HG SER A 64 5.530 14.173 -1.816 1.00 14.33 H new ATOM 930 N GLY A 65 2.291 12.096 1.080 1.00 33.33 N ATOM 931 CA GLY A 65 1.154 12.636 1.802 1.00 43.32 C ATOM 932 C GLY A 65 -0.104 11.816 1.600 1.00 45.52 C ATOM 933 O GLY A 65 -0.761 11.919 0.565 1.00 64.41 O ATOM 0 H GLY A 65 2.966 11.595 1.657 1.00 33.33 H new ATOM 0 HA2 GLY A 65 1.390 12.678 2.865 1.00 43.32 H new ATOM 0 HA3 GLY A 65 0.973 13.660 1.475 1.00 43.32 H new ATOM 937 N ASP A 66 -0.441 10.998 2.592 1.00 43.45 N ATOM 938 CA ASP A 66 -1.629 10.157 2.519 1.00 31.23 C ATOM 939 C ASP A 66 -2.764 10.880 1.802 1.00 64.52 C ATOM 940 O ASP A 66 -3.400 11.770 2.365 1.00 40.21 O ATOM 941 CB ASP A 66 -2.076 9.745 3.923 1.00 13.24 C ATOM 942 CG ASP A 66 -3.275 8.816 3.900 1.00 14.31 C ATOM 943 OD1 ASP A 66 -4.157 9.009 3.039 1.00 1.13 O ATOM 944 OD2 ASP A 66 -3.330 7.897 4.745 1.00 2.45 O ATOM 0 H ASP A 66 0.092 10.900 3.456 1.00 43.45 H new ATOM 0 HA ASP A 66 -1.376 9.263 1.950 1.00 31.23 H new ATOM 0 HB2 ASP A 66 -1.249 9.253 4.435 1.00 13.24 H new ATOM 0 HB3 ASP A 66 -2.322 10.637 4.499 1.00 13.24 H new ATOM 948 N ASN A 67 -3.013 10.492 0.555 1.00 52.22 N ATOM 949 CA ASN A 67 -4.071 11.105 -0.239 1.00 23.33 C ATOM 950 C ASN A 67 -5.064 10.054 -0.725 1.00 24.23 C ATOM 951 O ASN A 67 -4.735 8.873 -0.825 1.00 2.10 O ATOM 952 CB ASN A 67 -3.473 11.849 -1.435 1.00 33.34 C ATOM 953 CG ASN A 67 -4.299 13.055 -1.838 1.00 45.13 C ATOM 954 OD1 ASN A 67 -4.613 13.241 -3.014 1.00 43.55 O ATOM 955 ND2 ASN A 67 -4.656 13.881 -0.861 1.00 22.11 N ATOM 0 H ASN A 67 -2.496 9.756 0.073 1.00 52.22 H new ATOM 0 HA ASN A 67 -4.602 11.816 0.395 1.00 23.33 H new ATOM 0 HB2 ASN A 67 -2.461 12.171 -1.190 1.00 33.34 H new ATOM 0 HB3 ASN A 67 -3.394 11.167 -2.281 1.00 33.34 H new ATOM 0 HD21 ASN A 67 -5.213 14.709 -1.071 1.00 22.11 H new ATOM 0 HD22 ASN A 67 -4.373 13.687 0.100 1.00 22.11 H new ATOM 961 N ALA A 68 -6.282 10.494 -1.027 1.00 73.10 N ATOM 962 CA ALA A 68 -7.323 9.593 -1.505 1.00 73.04 C ATOM 963 C ALA A 68 -7.150 9.292 -2.990 1.00 13.51 C ATOM 964 O ALA A 68 -6.791 10.160 -3.786 1.00 1.45 O ATOM 965 CB ALA A 68 -8.698 10.188 -1.242 1.00 33.40 C ATOM 0 H ALA A 68 -6.571 11.469 -0.949 1.00 73.10 H new ATOM 0 HA ALA A 68 -7.235 8.654 -0.958 1.00 73.04 H new ATOM 0 HB1 ALA A 68 -9.466 9.504 -1.604 1.00 33.40 H new ATOM 0 HB2 ALA A 68 -8.828 10.345 -0.171 1.00 33.40 H new ATOM 0 HB3 ALA A 68 -8.787 11.142 -1.762 1.00 33.40 H new ATOM 971 N PRO A 69 -7.410 8.033 -3.375 1.00 43.32 N ATOM 972 CA PRO A 69 -7.289 7.590 -4.766 1.00 33.12 C ATOM 973 C PRO A 69 -8.368 8.189 -5.661 1.00 0.53 C ATOM 974 O PRO A 69 -9.472 7.654 -5.764 1.00 14.21 O ATOM 975 CB PRO A 69 -7.457 6.071 -4.671 1.00 43.45 C ATOM 976 CG PRO A 69 -8.253 5.856 -3.430 1.00 63.31 C ATOM 977 CD PRO A 69 -7.842 6.947 -2.479 1.00 31.13 C ATOM 0 HA PRO A 69 -6.344 7.901 -5.212 1.00 33.12 H new ATOM 0 HB2 PRO A 69 -7.972 5.674 -5.546 1.00 43.45 H new ATOM 0 HB3 PRO A 69 -6.491 5.568 -4.614 1.00 43.45 H new ATOM 0 HG2 PRO A 69 -9.322 5.903 -3.639 1.00 63.31 H new ATOM 0 HG3 PRO A 69 -8.054 4.872 -3.005 1.00 63.31 H new ATOM 0 HD2 PRO A 69 -8.670 7.257 -1.841 1.00 31.13 H new ATOM 0 HD3 PRO A 69 -7.036 6.624 -1.821 1.00 31.13 H new ATOM 982 N SER A 70 -8.042 9.305 -6.307 1.00 72.11 N ATOM 983 CA SER A 70 -8.985 9.980 -7.192 1.00 72.32 C ATOM 984 C SER A 70 -8.657 9.695 -8.655 1.00 43.24 C ATOM 985 O SER A 70 -9.363 10.142 -9.559 1.00 54.14 O ATOM 986 CB SER A 70 -8.965 11.488 -6.937 1.00 25.32 C ATOM 987 OG SER A 70 -9.915 12.154 -7.751 1.00 2.51 O ATOM 0 H SER A 70 -7.132 9.760 -6.234 1.00 72.11 H new ATOM 0 HA SER A 70 -9.983 9.596 -6.981 1.00 72.32 H new ATOM 0 HB2 SER A 70 -9.179 11.686 -5.887 1.00 25.32 H new ATOM 0 HB3 SER A 70 -7.969 11.881 -7.139 1.00 25.32 H new ATOM 0 HG SER A 70 -10.105 11.610 -8.544 1.00 2.51 H new ATOM 992 N TYR A 71 -7.581 8.948 -8.878 1.00 24.42 N ATOM 993 CA TYR A 71 -7.157 8.605 -10.230 1.00 21.43 C ATOM 994 C TYR A 71 -6.845 7.115 -10.342 1.00 3.13 C ATOM 995 O TYR A 71 -6.820 6.398 -9.341 1.00 1.24 O ATOM 996 CB TYR A 71 -5.929 9.425 -10.626 1.00 25.11 C ATOM 997 CG TYR A 71 -4.871 9.492 -9.547 1.00 24.42 C ATOM 998 CD1 TYR A 71 -4.384 8.334 -8.952 1.00 1.25 C ATOM 999 CD2 TYR A 71 -4.360 10.712 -9.123 1.00 4.41 C ATOM 1000 CE1 TYR A 71 -3.419 8.391 -7.966 1.00 41.42 C ATOM 1001 CE2 TYR A 71 -3.394 10.777 -8.137 1.00 12.41 C ATOM 1002 CZ TYR A 71 -2.927 9.615 -7.562 1.00 21.03 C ATOM 1003 OH TYR A 71 -1.964 9.675 -6.580 1.00 11.10 O ATOM 0 H TYR A 71 -6.987 8.569 -8.140 1.00 24.42 H new ATOM 0 HA TYR A 71 -7.976 8.839 -10.910 1.00 21.43 H new ATOM 0 HB2 TYR A 71 -5.491 8.995 -11.527 1.00 25.11 H new ATOM 0 HB3 TYR A 71 -6.244 10.438 -10.877 1.00 25.11 H new ATOM 0 HD1 TYR A 71 -4.767 7.374 -9.266 1.00 1.25 H new ATOM 0 HD2 TYR A 71 -4.724 11.625 -9.571 1.00 4.41 H new ATOM 0 HE1 TYR A 71 -3.051 7.482 -7.513 1.00 41.42 H new ATOM 0 HE2 TYR A 71 -3.007 11.734 -7.819 1.00 12.41 H new ATOM 0 HH TYR A 71 -1.725 10.611 -6.413 1.00 11.10 H new ATOM 1012 N SER A 72 -6.607 6.657 -11.567 1.00 5.33 N ATOM 1013 CA SER A 72 -6.300 5.253 -11.811 1.00 2.32 C ATOM 1014 C SER A 72 -4.914 4.900 -11.279 1.00 61.12 C ATOM 1015 O SER A 72 -4.025 5.745 -11.181 1.00 13.24 O ATOM 1016 CB SER A 72 -6.377 4.945 -13.308 1.00 20.13 C ATOM 1017 OG SER A 72 -5.752 5.963 -14.071 1.00 61.31 O ATOM 0 H SER A 72 -6.621 7.238 -12.405 1.00 5.33 H new ATOM 0 HA SER A 72 -7.038 4.648 -11.284 1.00 2.32 H new ATOM 0 HB2 SER A 72 -5.897 3.988 -13.511 1.00 20.13 H new ATOM 0 HB3 SER A 72 -7.420 4.849 -13.609 1.00 20.13 H new ATOM 0 HG SER A 72 -5.813 5.742 -15.024 1.00 61.31 H new ATOM 1022 N PRO A 73 -4.726 3.620 -10.926 1.00 72.42 N ATOM 1023 CA PRO A 73 -3.451 3.123 -10.398 1.00 21.02 C ATOM 1024 C PRO A 73 -2.356 3.094 -11.459 1.00 4.02 C ATOM 1025 O PRO A 73 -2.612 2.875 -12.643 1.00 11.45 O ATOM 1026 CB PRO A 73 -3.787 1.703 -9.938 1.00 63.24 C ATOM 1027 CG PRO A 73 -4.954 1.300 -10.771 1.00 2.22 C ATOM 1028 CD PRO A 73 -5.742 2.558 -11.016 1.00 23.22 C ATOM 0 HA PRO A 73 -3.062 3.762 -9.605 1.00 21.02 H new ATOM 0 HB2 PRO A 73 -2.943 1.029 -10.086 1.00 63.24 H new ATOM 0 HB3 PRO A 73 -4.032 1.679 -8.876 1.00 63.24 H new ATOM 0 HG2 PRO A 73 -4.627 0.855 -11.711 1.00 2.22 H new ATOM 0 HG3 PRO A 73 -5.560 0.553 -10.258 1.00 2.22 H new ATOM 0 HD2 PRO A 73 -6.225 2.546 -11.993 1.00 23.22 H new ATOM 0 HD3 PRO A 73 -6.529 2.690 -10.273 1.00 23.22 H new ATOM 1033 N PRO A 74 -1.107 3.321 -11.027 1.00 54.34 N ATOM 1034 CA PRO A 74 0.053 3.325 -11.925 1.00 42.02 C ATOM 1035 C PRO A 74 0.382 1.932 -12.451 1.00 32.14 C ATOM 1036 O PRO A 74 0.092 0.917 -11.819 1.00 44.33 O ATOM 1037 CB PRO A 74 1.186 3.842 -11.036 1.00 13.01 C ATOM 1038 CG PRO A 74 0.771 3.492 -9.649 1.00 0.54 C ATOM 1039 CD PRO A 74 -0.729 3.589 -9.629 1.00 21.44 C ATOM 0 HA PRO A 74 -0.120 3.931 -12.814 1.00 42.02 H new ATOM 0 HB2 PRO A 74 2.136 3.375 -11.294 1.00 13.01 H new ATOM 0 HB3 PRO A 74 1.319 4.918 -11.150 1.00 13.01 H new ATOM 0 HG2 PRO A 74 1.101 2.487 -9.385 1.00 0.54 H new ATOM 0 HG3 PRO A 74 1.216 4.174 -8.925 1.00 0.54 H new ATOM 0 HD2 PRO A 74 -1.170 2.862 -8.947 1.00 21.44 H new ATOM 0 HD3 PRO A 74 -1.064 4.574 -9.304 1.00 21.44 H new ATOM 1044 N PRO A 75 1.002 1.880 -13.640 1.00 52.13 N ATOM 1045 CA PRO A 75 1.386 0.618 -14.278 1.00 35.00 C ATOM 1046 C PRO A 75 2.524 -0.082 -13.543 1.00 45.33 C ATOM 1047 O PRO A 75 3.579 0.499 -13.288 1.00 72.35 O ATOM 1048 CB PRO A 75 1.838 1.049 -15.676 1.00 41.12 C ATOM 1049 CG PRO A 75 2.269 2.466 -15.513 1.00 21.12 C ATOM 1050 CD PRO A 75 1.378 3.050 -14.451 1.00 54.21 C ATOM 0 HA PRO A 75 0.567 -0.101 -14.283 1.00 35.00 H new ATOM 0 HB2 PRO A 75 2.655 0.425 -16.038 1.00 41.12 H new ATOM 0 HB3 PRO A 75 1.027 0.962 -16.399 1.00 41.12 H new ATOM 0 HG2 PRO A 75 3.317 2.524 -15.218 1.00 21.12 H new ATOM 0 HG3 PRO A 75 2.171 3.014 -16.450 1.00 21.12 H new ATOM 0 HD2 PRO A 75 1.900 3.800 -13.857 1.00 54.21 H new ATOM 0 HD3 PRO A 75 0.504 3.537 -14.883 1.00 54.21 H new ATOM 1055 N PRO A 76 2.307 -1.358 -13.193 1.00 51.04 N ATOM 1056 CA PRO A 76 3.304 -2.164 -12.482 1.00 72.32 C ATOM 1057 C PRO A 76 4.505 -2.506 -13.358 1.00 53.00 C ATOM 1058 O PRO A 76 4.504 -2.283 -14.569 1.00 22.32 O ATOM 1059 CB PRO A 76 2.535 -3.435 -12.112 1.00 44.51 C ATOM 1060 CG PRO A 76 1.450 -3.530 -13.127 1.00 23.14 C ATOM 1061 CD PRO A 76 1.073 -2.113 -13.464 1.00 52.03 C ATOM 0 HA PRO A 76 3.718 -1.635 -11.624 1.00 72.32 H new ATOM 0 HB2 PRO A 76 3.182 -4.312 -12.141 1.00 44.51 H new ATOM 0 HB3 PRO A 76 2.128 -3.372 -11.103 1.00 44.51 H new ATOM 0 HG2 PRO A 76 1.791 -4.065 -14.014 1.00 23.14 H new ATOM 0 HG3 PRO A 76 0.594 -4.078 -12.733 1.00 23.14 H new ATOM 0 HD2 PRO A 76 0.763 -2.016 -14.505 1.00 52.03 H new ATOM 0 HD3 PRO A 76 0.244 -1.761 -12.850 1.00 52.03 H new ATOM 1066 N PRO A 77 5.556 -3.059 -12.734 1.00 12.50 N ATOM 1067 CA PRO A 77 6.783 -3.444 -13.439 1.00 4.52 C ATOM 1068 C PRO A 77 6.572 -4.643 -14.357 1.00 5.23 C ATOM 1069 O PRO A 77 7.531 -5.274 -14.799 1.00 14.25 O ATOM 1070 CB PRO A 77 7.746 -3.801 -12.304 1.00 3.00 C ATOM 1071 CG PRO A 77 6.865 -4.197 -11.170 1.00 61.11 C ATOM 1072 CD PRO A 77 5.627 -3.352 -11.293 1.00 22.33 C ATOM 0 HA PRO A 77 7.146 -2.649 -14.090 1.00 4.52 H new ATOM 0 HB2 PRO A 77 8.412 -4.615 -12.591 1.00 3.00 H new ATOM 0 HB3 PRO A 77 8.376 -2.952 -12.038 1.00 3.00 H new ATOM 0 HG2 PRO A 77 6.620 -5.258 -11.218 1.00 61.11 H new ATOM 0 HG3 PRO A 77 7.360 -4.027 -10.214 1.00 61.11 H new ATOM 0 HD2 PRO A 77 4.741 -3.884 -10.947 1.00 22.33 H new ATOM 0 HD3 PRO A 77 5.702 -2.440 -10.701 1.00 22.33 H new