USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 481 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 :FLIP amide:sc= -0.54 F(o=-1.5,f=-0.54) USER MOD Set 1.2: A 22 THR OG1 : rot 180:sc=0.000169 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 160:sc= -18.6! (180deg=-21.1!) 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 21 SER OG : rot 180:sc= 0.00318 USER MOD Single : A 23 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.49) 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 :FLIP amide:sc= -0.888 F(o=-5.1!,f=-0.89) USER MOD Single : A 35 GLN : amide:sc= -4.41 K(o=-4.4,f=-6.6!) USER MOD Single : A 42 TYR OH : rot 180:sc= -1.01 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= 0.00827 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 17:sc= 0.336 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.854 F(o=-4.1,f=-0.85) USER MOD Single : A 64 SER OG : rot 28:sc= -1.25 USER MOD Single : A 67 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.12) 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 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.899 17.867 2.386 1.00 43.44 N ATOM 2 CA GLY A 1 10.434 17.499 1.089 1.00 52.44 C ATOM 3 C GLY A 1 9.348 17.167 0.086 1.00 44.40 C ATOM 4 O GLY A 1 8.676 18.060 -0.429 1.00 1.02 O ATOM 0 H1 GLY A 1 10.682 18.084 3.035 1.00 43.44 H new ATOM 0 H2 GLY A 1 9.290 18.704 2.285 1.00 43.44 H new ATOM 0 H3 GLY A 1 9.341 17.077 2.768 1.00 43.44 H new ATOM 0 HA2 GLY A 1 11.041 18.318 0.704 1.00 52.44 H new ATOM 0 HA3 GLY A 1 11.094 16.639 1.203 1.00 52.44 H new ATOM 8 N ALA A 2 9.177 15.880 -0.194 1.00 65.00 N ATOM 9 CA ALA A 2 8.164 15.433 -1.141 1.00 25.55 C ATOM 10 C ALA A 2 6.789 15.981 -0.776 1.00 13.44 C ATOM 11 O ALA A 2 6.667 16.851 0.085 1.00 12.40 O ATOM 12 CB ALA A 2 8.129 13.912 -1.198 1.00 20.12 C ATOM 0 H ALA A 2 9.727 15.128 0.222 1.00 65.00 H new ATOM 0 HA ALA A 2 8.429 15.818 -2.126 1.00 25.55 H new ATOM 0 HB1 ALA A 2 7.368 13.592 -1.909 1.00 20.12 H new ATOM 0 HB2 ALA A 2 9.102 13.537 -1.515 1.00 20.12 H new ATOM 0 HB3 ALA A 2 7.892 13.516 -0.210 1.00 20.12 H new ATOM 18 N MET A 3 5.757 15.469 -1.438 1.00 72.11 N ATOM 19 CA MET A 3 4.390 15.909 -1.182 1.00 75.32 C ATOM 20 C MET A 3 3.859 15.305 0.114 1.00 72.44 C ATOM 21 O MET A 3 4.009 14.109 0.360 1.00 61.12 O ATOM 22 CB MET A 3 3.480 15.522 -2.349 1.00 22.12 C ATOM 23 CG MET A 3 2.829 16.714 -3.033 1.00 53.33 C ATOM 24 SD MET A 3 1.479 16.235 -4.128 1.00 53.05 S ATOM 25 CE MET A 3 1.843 17.234 -5.570 1.00 71.34 C ATOM 0 H MET A 3 5.841 14.749 -2.156 1.00 72.11 H new ATOM 0 HA MET A 3 4.397 16.994 -1.081 1.00 75.32 H new ATOM 0 HB2 MET A 3 4.062 14.965 -3.084 1.00 22.12 H new ATOM 0 HB3 MET A 3 2.701 14.852 -1.985 1.00 22.12 H new ATOM 0 HG2 MET A 3 2.451 17.401 -2.276 1.00 53.33 H new ATOM 0 HG3 MET A 3 3.582 17.255 -3.606 1.00 53.33 H new ATOM 0 HE1 MET A 3 1.093 17.049 -6.339 1.00 71.34 H new ATOM 0 HE2 MET A 3 1.828 18.289 -5.295 1.00 71.34 H new ATOM 0 HE3 MET A 3 2.829 16.973 -5.954 1.00 71.34 H new ATOM 33 N GLY A 4 3.237 16.141 0.941 1.00 34.44 N ATOM 34 CA GLY A 4 2.693 15.670 2.201 1.00 12.13 C ATOM 35 C GLY A 4 3.774 15.337 3.210 1.00 61.30 C ATOM 36 O GLY A 4 4.857 14.867 2.860 1.00 63.32 O ATOM 0 H GLY A 4 3.101 17.136 0.760 1.00 34.44 H new ATOM 0 HA2 GLY A 4 2.035 16.433 2.617 1.00 12.13 H new ATOM 0 HA3 GLY A 4 2.082 14.785 2.022 1.00 12.13 H new ATOM 40 N PRO A 5 3.485 15.584 4.497 1.00 22.05 N ATOM 41 CA PRO A 5 4.428 15.315 5.585 1.00 40.52 C ATOM 42 C PRO A 5 4.637 13.823 5.817 1.00 61.34 C ATOM 43 O PRO A 5 5.686 13.401 6.306 1.00 10.24 O ATOM 44 CB PRO A 5 3.757 15.957 6.802 1.00 40.32 C ATOM 45 CG PRO A 5 2.304 15.959 6.476 1.00 4.24 C ATOM 46 CD PRO A 5 2.214 16.144 4.986 1.00 41.22 C ATOM 0 HA PRO A 5 5.421 15.710 5.370 1.00 40.52 H new ATOM 0 HB2 PRO A 5 3.958 15.389 7.710 1.00 40.32 H new ATOM 0 HB3 PRO A 5 4.126 16.969 6.970 1.00 40.32 H new ATOM 0 HG2 PRO A 5 1.834 15.024 6.782 1.00 4.24 H new ATOM 0 HG3 PRO A 5 1.787 16.763 7.001 1.00 4.24 H new ATOM 0 HD2 PRO A 5 1.356 15.619 4.567 1.00 41.22 H new ATOM 0 HD3 PRO A 5 2.108 17.195 4.717 1.00 41.22 H new ATOM 51 N ARG A 6 3.632 13.028 5.464 1.00 11.12 N ATOM 52 CA ARG A 6 3.706 11.582 5.634 1.00 65.33 C ATOM 53 C ARG A 6 3.633 10.871 4.287 1.00 3.52 C ATOM 54 O ARG A 6 2.572 10.803 3.667 1.00 73.24 O ATOM 55 CB ARG A 6 2.574 11.096 6.542 1.00 21.34 C ATOM 56 CG ARG A 6 1.213 11.086 5.865 1.00 22.35 C ATOM 57 CD ARG A 6 0.096 11.375 6.855 1.00 23.31 C ATOM 58 NE ARG A 6 0.203 12.715 7.424 1.00 70.12 N ATOM 59 CZ ARG A 6 -0.412 13.090 8.541 1.00 43.11 C ATOM 60 NH1 ARG A 6 -1.172 12.230 9.203 1.00 43.04 N ATOM 61 NH2 ARG A 6 -0.266 14.328 8.996 1.00 53.14 N ATOM 0 H ARG A 6 2.757 13.361 5.059 1.00 11.12 H new ATOM 0 HA ARG A 6 4.663 11.344 6.098 1.00 65.33 H new ATOM 0 HB2 ARG A 6 2.805 10.089 6.890 1.00 21.34 H new ATOM 0 HB3 ARG A 6 2.527 11.735 7.424 1.00 21.34 H new ATOM 0 HG2 ARG A 6 1.196 11.830 5.069 1.00 22.35 H new ATOM 0 HG3 ARG A 6 1.045 10.115 5.398 1.00 22.35 H new ATOM 0 HD2 ARG A 6 -0.867 11.269 6.356 1.00 23.31 H new ATOM 0 HD3 ARG A 6 0.122 10.637 7.657 1.00 23.31 H new ATOM 0 HE ARG A 6 0.781 13.401 6.938 1.00 70.12 H new ATOM 0 HH11 ARG A 6 -1.286 11.278 8.856 1.00 43.04 H new ATOM 0 HH12 ARG A 6 -1.643 12.520 10.060 1.00 43.04 H new ATOM 0 HH21 ARG A 6 0.318 14.992 8.488 1.00 53.14 H new ATOM 0 HH22 ARG A 6 -0.738 14.615 9.853 1.00 53.14 H new ATOM 72 N GLU A 7 4.769 10.344 3.839 1.00 52.22 N ATOM 73 CA GLU A 7 4.833 9.640 2.564 1.00 13.20 C ATOM 74 C GLU A 7 5.096 8.152 2.777 1.00 14.25 C ATOM 75 O GLU A 7 6.138 7.764 3.308 1.00 44.14 O ATOM 76 CB GLU A 7 5.926 10.241 1.679 1.00 14.21 C ATOM 77 CG GLU A 7 7.194 10.600 2.436 1.00 11.51 C ATOM 78 CD GLU A 7 8.400 10.733 1.526 1.00 71.20 C ATOM 79 OE1 GLU A 7 8.385 11.622 0.649 1.00 4.55 O ATOM 80 OE2 GLU A 7 9.357 9.949 1.690 1.00 23.41 O ATOM 0 H GLU A 7 5.656 10.392 4.340 1.00 52.22 H new ATOM 0 HA GLU A 7 3.870 9.753 2.066 1.00 13.20 H new ATOM 0 HB2 GLU A 7 6.173 9.532 0.889 1.00 14.21 H new ATOM 0 HB3 GLU A 7 5.537 11.136 1.193 1.00 14.21 H new ATOM 0 HG2 GLU A 7 7.041 11.538 2.969 1.00 11.51 H new ATOM 0 HG3 GLU A 7 7.393 9.835 3.187 1.00 11.51 H new ATOM 85 N VAL A 8 4.146 7.322 2.358 1.00 11.53 N ATOM 86 CA VAL A 8 4.275 5.878 2.502 1.00 24.21 C ATOM 87 C VAL A 8 4.845 5.248 1.235 1.00 50.33 C ATOM 88 O VAL A 8 4.444 5.590 0.123 1.00 23.51 O ATOM 89 CB VAL A 8 2.917 5.223 2.821 1.00 73.42 C ATOM 90 CG1 VAL A 8 1.983 5.322 1.626 1.00 23.53 C ATOM 91 CG2 VAL A 8 3.112 3.772 3.237 1.00 42.14 C ATOM 0 H VAL A 8 3.278 7.626 1.916 1.00 11.53 H new ATOM 0 HA VAL A 8 4.960 5.702 3.332 1.00 24.21 H new ATOM 0 HB VAL A 8 2.460 5.759 3.653 1.00 73.42 H new ATOM 0 HG11 VAL A 8 1.029 4.854 1.870 1.00 23.53 H new ATOM 0 HG12 VAL A 8 1.820 6.371 1.378 1.00 23.53 H new ATOM 0 HG13 VAL A 8 2.429 4.812 0.772 1.00 23.53 H new ATOM 0 HG21 VAL A 8 2.143 3.324 3.459 1.00 42.14 H new ATOM 0 HG22 VAL A 8 3.589 3.222 2.426 1.00 42.14 H new ATOM 0 HG23 VAL A 8 3.743 3.730 4.125 1.00 42.14 H new ATOM 101 N THR A 9 5.785 4.324 1.412 1.00 44.41 N ATOM 102 CA THR A 9 6.411 3.646 0.284 1.00 52.51 C ATOM 103 C THR A 9 6.328 2.132 0.437 1.00 11.40 C ATOM 104 O THR A 9 6.350 1.609 1.551 1.00 2.40 O ATOM 105 CB THR A 9 7.890 4.055 0.134 1.00 65.13 C ATOM 106 OG1 THR A 9 8.648 3.568 1.247 1.00 3.21 O ATOM 107 CG2 THR A 9 8.027 5.568 0.044 1.00 65.15 C ATOM 0 H THR A 9 6.129 4.029 2.326 1.00 44.41 H new ATOM 0 HA THR A 9 5.865 3.948 -0.609 1.00 52.51 H new ATOM 0 HB THR A 9 8.274 3.616 -0.787 1.00 65.13 H new ATOM 0 HG1 THR A 9 9.587 3.830 1.143 1.00 3.21 H new ATOM 0 HG21 THR A 9 9.079 5.832 -0.061 1.00 65.15 H new ATOM 0 HG22 THR A 9 7.473 5.933 -0.821 1.00 65.15 H new ATOM 0 HG23 THR A 9 7.627 6.024 0.950 1.00 65.15 H new ATOM 115 N MET A 10 6.232 1.433 -0.689 1.00 44.12 N ATOM 116 CA MET A 10 6.146 -0.023 -0.679 1.00 53.03 C ATOM 117 C MET A 10 7.354 -0.643 -1.376 1.00 2.31 C ATOM 118 O MET A 10 7.640 -0.334 -2.534 1.00 73.33 O ATOM 119 CB MET A 10 4.857 -0.484 -1.359 1.00 24.22 C ATOM 120 CG MET A 10 3.646 0.364 -1.005 1.00 71.12 C ATOM 121 SD MET A 10 3.660 0.910 0.713 1.00 71.14 S ATOM 122 CE MET A 10 2.288 2.062 0.714 1.00 34.15 C ATOM 0 H MET A 10 6.212 1.851 -1.619 1.00 44.12 H new ATOM 0 HA MET A 10 6.138 -0.355 0.359 1.00 53.03 H new ATOM 0 HB2 MET A 10 4.999 -0.466 -2.439 1.00 24.22 H new ATOM 0 HB3 MET A 10 4.659 -1.519 -1.081 1.00 24.22 H new ATOM 0 HG2 MET A 10 3.614 1.235 -1.659 1.00 71.12 H new ATOM 0 HG3 MET A 10 2.738 -0.209 -1.193 1.00 71.12 H new ATOM 0 HE1 MET A 10 1.940 2.213 1.736 1.00 34.15 H new ATOM 0 HE2 MET A 10 2.613 3.015 0.297 1.00 34.15 H new ATOM 0 HE3 MET A 10 1.475 1.660 0.110 1.00 34.15 H new ATOM 130 N LYS A 11 8.057 -1.517 -0.666 1.00 32.11 N ATOM 131 CA LYS A 11 9.233 -2.182 -1.216 1.00 41.21 C ATOM 132 C LYS A 11 8.909 -3.618 -1.615 1.00 43.15 C ATOM 133 O LYS A 11 8.217 -4.334 -0.890 1.00 74.22 O ATOM 134 CB LYS A 11 10.375 -2.169 -0.198 1.00 2.45 C ATOM 135 CG LYS A 11 11.720 -1.797 -0.797 1.00 20.13 C ATOM 136 CD LYS A 11 12.805 -2.774 -0.381 1.00 74.14 C ATOM 137 CE LYS A 11 14.191 -2.162 -0.519 1.00 30.45 C ATOM 138 NZ LYS A 11 14.990 -2.833 -1.584 1.00 45.54 N ATOM 0 H LYS A 11 7.833 -1.782 0.293 1.00 32.11 H new ATOM 0 HA LYS A 11 9.544 -1.637 -2.108 1.00 41.21 H new ATOM 0 HB2 LYS A 11 10.133 -1.464 0.597 1.00 2.45 H new ATOM 0 HB3 LYS A 11 10.452 -3.154 0.262 1.00 2.45 H new ATOM 0 HG2 LYS A 11 11.643 -1.779 -1.884 1.00 20.13 H new ATOM 0 HG3 LYS A 11 11.994 -0.791 -0.480 1.00 20.13 H new ATOM 0 HD2 LYS A 11 12.643 -3.080 0.652 1.00 74.14 H new ATOM 0 HD3 LYS A 11 12.741 -3.673 -0.994 1.00 74.14 H new ATOM 0 HE2 LYS A 11 14.098 -1.101 -0.749 1.00 30.45 H new ATOM 0 HE3 LYS A 11 14.718 -2.237 0.432 1.00 30.45 H new ATOM 0 HZ1 LYS A 11 15.928 -2.388 -1.647 1.00 45.54 H new ATOM 0 HZ2 LYS A 11 15.100 -3.841 -1.352 1.00 45.54 H new ATOM 0 HZ3 LYS A 11 14.500 -2.739 -2.497 1.00 45.54 H new ATOM 148 N LYS A 12 9.415 -4.035 -2.771 1.00 5.34 N ATOM 149 CA LYS A 12 9.182 -5.386 -3.265 1.00 21.51 C ATOM 150 C LYS A 12 9.585 -6.424 -2.223 1.00 73.23 C ATOM 151 O LYS A 12 10.767 -6.587 -1.921 1.00 72.15 O ATOM 152 CB LYS A 12 9.963 -5.620 -4.561 1.00 4.43 C ATOM 153 CG LYS A 12 9.397 -6.738 -5.419 1.00 50.30 C ATOM 154 CD LYS A 12 9.417 -6.374 -6.894 1.00 40.31 C ATOM 155 CE LYS A 12 9.221 -7.599 -7.773 1.00 30.11 C ATOM 156 NZ LYS A 12 9.772 -7.393 -9.141 1.00 20.40 N ATOM 0 H LYS A 12 9.989 -3.456 -3.383 1.00 5.34 H new ATOM 0 HA LYS A 12 8.116 -5.493 -3.466 1.00 21.51 H new ATOM 0 HB2 LYS A 12 9.972 -4.697 -5.141 1.00 4.43 H new ATOM 0 HB3 LYS A 12 10.999 -5.852 -4.314 1.00 4.43 H new ATOM 0 HG2 LYS A 12 9.975 -7.648 -5.260 1.00 50.30 H new ATOM 0 HG3 LYS A 12 8.374 -6.952 -5.110 1.00 50.30 H new ATOM 0 HD2 LYS A 12 8.632 -5.647 -7.101 1.00 40.31 H new ATOM 0 HD3 LYS A 12 10.366 -5.897 -7.139 1.00 40.31 H new ATOM 0 HE2 LYS A 12 9.707 -8.459 -7.311 1.00 30.11 H new ATOM 0 HE3 LYS A 12 8.158 -7.831 -7.841 1.00 30.11 H new ATOM 0 HZ1 LYS A 12 9.619 -8.250 -9.710 1.00 20.40 H new ATOM 0 HZ2 LYS A 12 9.291 -6.588 -9.591 1.00 20.40 H new ATOM 0 HZ3 LYS A 12 10.791 -7.196 -9.079 1.00 20.40 H new ATOM 166 N GLY A 13 8.597 -7.125 -1.677 1.00 24.55 N ATOM 167 CA GLY A 13 8.870 -8.139 -0.675 1.00 21.52 C ATOM 168 C GLY A 13 8.782 -7.597 0.738 1.00 13.25 C ATOM 169 O GLY A 13 9.567 -7.979 1.606 1.00 64.11 O ATOM 0 H GLY A 13 7.611 -7.009 -1.911 1.00 24.55 H new ATOM 0 HA2 GLY A 13 8.162 -8.960 -0.791 1.00 21.52 H new ATOM 0 HA3 GLY A 13 9.865 -8.551 -0.841 1.00 21.52 H new ATOM 173 N ASP A 14 7.827 -6.703 0.967 1.00 65.44 N ATOM 174 CA ASP A 14 7.640 -6.106 2.286 1.00 22.13 C ATOM 175 C ASP A 14 6.208 -6.304 2.773 1.00 3.33 C ATOM 176 O ASP A 14 5.256 -6.173 2.003 1.00 11.04 O ATOM 177 CB ASP A 14 7.978 -4.616 2.246 1.00 11.53 C ATOM 178 CG ASP A 14 8.790 -4.174 3.447 1.00 40.15 C ATOM 179 OD1 ASP A 14 9.502 -5.021 4.027 1.00 72.31 O ATOM 180 OD2 ASP A 14 8.716 -2.981 3.808 1.00 1.21 O ATOM 0 H ASP A 14 7.171 -6.375 0.258 1.00 65.44 H new ATOM 0 HA ASP A 14 8.313 -6.604 2.983 1.00 22.13 H new ATOM 0 HB2 ASP A 14 8.534 -4.397 1.335 1.00 11.53 H new ATOM 0 HB3 ASP A 14 7.055 -4.038 2.203 1.00 11.53 H new ATOM 184 N ILE A 15 6.063 -6.619 4.055 1.00 63.22 N ATOM 185 CA ILE A 15 4.748 -6.835 4.645 1.00 4.23 C ATOM 186 C ILE A 15 4.198 -5.547 5.249 1.00 10.11 C ATOM 187 O ILE A 15 4.593 -5.144 6.344 1.00 41.12 O ATOM 188 CB ILE A 15 4.789 -7.922 5.734 1.00 53.44 C ATOM 189 CG1 ILE A 15 5.408 -9.207 5.179 1.00 41.51 C ATOM 190 CG2 ILE A 15 3.391 -8.190 6.270 1.00 61.10 C ATOM 191 CD1 ILE A 15 6.031 -10.085 6.242 1.00 53.51 C ATOM 0 H ILE A 15 6.841 -6.730 4.706 1.00 63.22 H new ATOM 0 HA ILE A 15 4.093 -7.165 3.839 1.00 4.23 H new ATOM 0 HB ILE A 15 5.410 -7.567 6.557 1.00 53.44 H new ATOM 0 HG12 ILE A 15 4.639 -9.775 4.655 1.00 41.51 H new ATOM 0 HG13 ILE A 15 6.168 -8.946 4.443 1.00 41.51 H new ATOM 0 HG21 ILE A 15 3.438 -8.961 7.039 1.00 61.10 H new ATOM 0 HG22 ILE A 15 2.984 -7.274 6.699 1.00 61.10 H new ATOM 0 HG23 ILE A 15 2.748 -8.527 5.457 1.00 61.10 H new ATOM 0 HD11 ILE A 15 6.450 -10.978 5.777 1.00 53.51 H new ATOM 0 HD12 ILE A 15 6.823 -9.535 6.750 1.00 53.51 H new ATOM 0 HD13 ILE A 15 5.270 -10.376 6.966 1.00 53.51 H new ATOM 202 N LEU A 16 3.285 -4.905 4.530 1.00 11.35 N ATOM 203 CA LEU A 16 2.679 -3.661 4.995 1.00 73.44 C ATOM 204 C LEU A 16 1.263 -3.905 5.507 1.00 42.02 C ATOM 205 O LEU A 16 0.424 -4.468 4.803 1.00 1.12 O ATOM 206 CB LEU A 16 2.655 -2.629 3.866 1.00 60.03 C ATOM 207 CG LEU A 16 3.781 -2.734 2.837 1.00 65.12 C ATOM 208 CD1 LEU A 16 3.250 -3.273 1.518 1.00 61.45 C ATOM 209 CD2 LEU A 16 4.444 -1.379 2.633 1.00 72.03 C ATOM 0 H LEU A 16 2.947 -5.225 3.622 1.00 11.35 H new ATOM 0 HA LEU A 16 3.282 -3.276 5.817 1.00 73.44 H new ATOM 0 HB2 LEU A 16 1.703 -2.714 3.343 1.00 60.03 H new ATOM 0 HB3 LEU A 16 2.687 -1.634 4.310 1.00 60.03 H new ATOM 0 HG LEU A 16 4.530 -3.430 3.215 1.00 65.12 H new ATOM 0 HD11 LEU A 16 4.065 -3.341 0.798 1.00 61.45 H new ATOM 0 HD12 LEU A 16 2.822 -4.263 1.675 1.00 61.45 H new ATOM 0 HD13 LEU A 16 2.482 -2.602 1.134 1.00 61.45 H new ATOM 0 HD21 LEU A 16 5.243 -1.472 1.898 1.00 72.03 H new ATOM 0 HD22 LEU A 16 3.704 -0.662 2.277 1.00 72.03 H new ATOM 0 HD23 LEU A 16 4.860 -1.031 3.579 1.00 72.03 H new ATOM 220 N THR A 17 1.002 -3.475 6.738 1.00 62.43 N ATOM 221 CA THR A 17 -0.312 -3.645 7.344 1.00 71.22 C ATOM 222 C THR A 17 -1.423 -3.357 6.340 1.00 40.43 C ATOM 223 O THR A 17 -1.464 -2.283 5.737 1.00 64.51 O ATOM 224 CB THR A 17 -0.490 -2.725 8.567 1.00 31.23 C ATOM 225 OG1 THR A 17 0.440 -3.090 9.593 1.00 3.41 O ATOM 226 CG2 THR A 17 -1.909 -2.812 9.108 1.00 61.02 C ATOM 0 H THR A 17 1.684 -3.006 7.334 1.00 62.43 H new ATOM 0 HA THR A 17 -0.378 -4.684 7.667 1.00 71.22 H new ATOM 0 HB THR A 17 -0.300 -1.699 8.253 1.00 31.23 H new ATOM 0 HG1 THR A 17 0.322 -2.500 10.366 1.00 3.41 H new ATOM 0 HG21 THR A 17 -2.010 -2.154 9.971 1.00 61.02 H new ATOM 0 HG22 THR A 17 -2.613 -2.506 8.334 1.00 61.02 H new ATOM 0 HG23 THR A 17 -2.122 -3.838 9.407 1.00 61.02 H new ATOM 234 N LEU A 18 -2.320 -4.320 6.165 1.00 24.15 N ATOM 235 CA LEU A 18 -3.433 -4.169 5.233 1.00 1.41 C ATOM 236 C LEU A 18 -4.420 -3.118 5.730 1.00 63.05 C ATOM 237 O LEU A 18 -5.538 -3.443 6.134 1.00 14.43 O ATOM 238 CB LEU A 18 -4.148 -5.508 5.041 1.00 51.44 C ATOM 239 CG LEU A 18 -5.121 -5.585 3.864 1.00 42.02 C ATOM 240 CD1 LEU A 18 -6.550 -5.369 4.338 1.00 32.32 C ATOM 241 CD2 LEU A 18 -4.751 -4.565 2.797 1.00 75.15 C ATOM 0 H LEU A 18 -2.299 -5.214 6.656 1.00 24.15 H new ATOM 0 HA LEU A 18 -3.031 -3.839 4.275 1.00 1.41 H new ATOM 0 HB2 LEU A 18 -3.394 -6.285 4.915 1.00 51.44 H new ATOM 0 HB3 LEU A 18 -4.695 -5.740 5.955 1.00 51.44 H new ATOM 0 HG LEU A 18 -5.052 -6.580 3.425 1.00 42.02 H new ATOM 0 HD11 LEU A 18 -7.228 -5.427 3.487 1.00 32.32 H new ATOM 0 HD12 LEU A 18 -6.813 -6.138 5.065 1.00 32.32 H new ATOM 0 HD13 LEU A 18 -6.635 -4.387 4.803 1.00 32.32 H new ATOM 0 HD21 LEU A 18 -5.455 -4.635 1.967 1.00 75.15 H new ATOM 0 HD22 LEU A 18 -4.790 -3.562 3.223 1.00 75.15 H new ATOM 0 HD23 LEU A 18 -3.743 -4.766 2.435 1.00 75.15 H new ATOM 252 N LEU A 19 -4.002 -1.858 5.697 1.00 12.41 N ATOM 253 CA LEU A 19 -4.850 -0.758 6.143 1.00 11.23 C ATOM 254 C LEU A 19 -6.178 -0.758 5.394 1.00 5.31 C ATOM 255 O LEU A 19 -6.443 -1.640 4.578 1.00 61.35 O ATOM 256 CB LEU A 19 -4.136 0.579 5.937 1.00 13.14 C ATOM 257 CG LEU A 19 -3.356 1.115 7.138 1.00 70.22 C ATOM 258 CD1 LEU A 19 -2.451 0.035 7.712 1.00 5.20 C ATOM 259 CD2 LEU A 19 -2.543 2.339 6.743 1.00 0.34 C ATOM 0 H LEU A 19 -3.081 -1.572 5.366 1.00 12.41 H new ATOM 0 HA LEU A 19 -5.052 -0.895 7.205 1.00 11.23 H new ATOM 0 HB2 LEU A 19 -3.447 0.475 5.099 1.00 13.14 H new ATOM 0 HB3 LEU A 19 -4.878 1.324 5.649 1.00 13.14 H new ATOM 0 HG LEU A 19 -4.069 1.410 7.908 1.00 70.22 H new ATOM 0 HD11 LEU A 19 -1.904 0.435 8.566 1.00 5.20 H new ATOM 0 HD12 LEU A 19 -3.055 -0.813 8.033 1.00 5.20 H new ATOM 0 HD13 LEU A 19 -1.744 -0.291 6.949 1.00 5.20 H new ATOM 0 HD21 LEU A 19 -1.995 2.707 7.610 1.00 0.34 H new ATOM 0 HD22 LEU A 19 -1.839 2.070 5.956 1.00 0.34 H new ATOM 0 HD23 LEU A 19 -3.212 3.119 6.380 1.00 0.34 H new ATOM 270 N ASN A 20 -7.010 0.240 5.675 1.00 1.24 N ATOM 271 CA ASN A 20 -8.311 0.357 5.027 1.00 22.31 C ATOM 272 C ASN A 20 -8.202 0.070 3.532 1.00 22.55 C ATOM 273 O ASN A 20 -7.625 0.856 2.780 1.00 60.32 O ATOM 274 CB ASN A 20 -8.892 1.754 5.249 1.00 2.52 C ATOM 275 CG ASN A 20 -10.226 1.718 5.970 1.00 4.41 C ATOM 276 OD1 ASN A 20 -11.301 1.991 5.239 1.00 44.00 O flip ATOM 277 ND2 ASN A 20 -10.288 1.450 7.169 1.00 73.43 N flip ATOM 0 H ASN A 20 -6.806 0.979 6.347 1.00 1.24 H new ATOM 0 HA ASN A 20 -8.978 -0.381 5.473 1.00 22.31 H new ATOM 0 HB2 ASN A 20 -8.186 2.350 5.827 1.00 2.52 H new ATOM 0 HB3 ASN A 20 -9.016 2.250 4.286 1.00 2.52 H new ATOM 0 HD21 ASN A 20 -9.436 1.247 7.691 1.00 73.43 H new ATOM 0 HD22 ASN A 20 -11.192 1.431 7.641 1.00 73.43 H new ATOM 283 N SER A 21 -8.761 -1.059 3.109 1.00 11.14 N ATOM 284 CA SER A 21 -8.724 -1.451 1.704 1.00 41.43 C ATOM 285 C SER A 21 -10.025 -1.075 1.002 1.00 34.22 C ATOM 286 O SER A 21 -10.352 -1.617 -0.056 1.00 43.41 O ATOM 287 CB SER A 21 -8.479 -2.956 1.580 1.00 60.42 C ATOM 288 OG SER A 21 -9.340 -3.686 2.438 1.00 12.43 O ATOM 0 H SER A 21 -9.245 -1.719 3.718 1.00 11.14 H new ATOM 0 HA SER A 21 -7.905 -0.916 1.223 1.00 41.43 H new ATOM 0 HB2 SER A 21 -8.638 -3.270 0.548 1.00 60.42 H new ATOM 0 HB3 SER A 21 -7.441 -3.180 1.825 1.00 60.42 H new ATOM 0 HG SER A 21 -9.165 -4.645 2.339 1.00 12.43 H new ATOM 293 N THR A 22 -10.764 -0.144 1.596 1.00 31.50 N ATOM 294 CA THR A 22 -12.030 0.303 1.029 1.00 33.05 C ATOM 295 C THR A 22 -11.997 0.258 -0.494 1.00 13.34 C ATOM 296 O THR A 22 -12.781 -0.451 -1.121 1.00 22.41 O ATOM 297 CB THR A 22 -12.373 1.735 1.482 1.00 72.21 C ATOM 298 OG1 THR A 22 -11.170 2.473 1.727 1.00 23.23 O ATOM 299 CG2 THR A 22 -13.226 1.714 2.740 1.00 43.32 C ATOM 0 H THR A 22 -10.508 0.315 2.470 1.00 31.50 H new ATOM 0 HA THR A 22 -12.798 -0.379 1.393 1.00 33.05 H new ATOM 0 HB THR A 22 -12.939 2.219 0.686 1.00 72.21 H new ATOM 0 HG1 THR A 22 -11.397 3.383 2.013 1.00 23.23 H new ATOM 0 HG21 THR A 22 -13.456 2.736 3.041 1.00 43.32 H new ATOM 0 HG22 THR A 22 -14.154 1.177 2.542 1.00 43.32 H new ATOM 0 HG23 THR A 22 -12.681 1.214 3.541 1.00 43.32 H new ATOM 307 N ASN A 23 -11.081 1.022 -1.084 1.00 21.53 N ATOM 308 CA ASN A 23 -10.946 1.069 -2.536 1.00 75.04 C ATOM 309 C ASN A 23 -10.560 -0.300 -3.090 1.00 3.32 C ATOM 310 O ASN A 23 -9.960 -1.118 -2.394 1.00 64.12 O ATOM 311 CB ASN A 23 -9.898 2.108 -2.937 1.00 53.21 C ATOM 312 CG ASN A 23 -10.509 3.303 -3.643 1.00 24.21 C ATOM 313 OD1 ASN A 23 -11.275 4.063 -3.050 1.00 54.33 O ATOM 314 ND2 ASN A 23 -10.173 3.473 -4.916 1.00 13.44 N ATOM 0 H ASN A 23 -10.423 1.616 -0.579 1.00 21.53 H new ATOM 0 HA ASN A 23 -11.910 1.354 -2.958 1.00 75.04 H new ATOM 0 HB2 ASN A 23 -9.368 2.447 -2.047 1.00 53.21 H new ATOM 0 HB3 ASN A 23 -9.160 1.642 -3.590 1.00 53.21 H new ATOM 0 HD21 ASN A 23 -10.553 4.259 -5.443 1.00 13.44 H new ATOM 0 HD22 ASN A 23 -9.534 2.818 -5.367 1.00 13.44 H new ATOM 320 N LYS A 24 -10.909 -0.541 -4.350 1.00 4.11 N ATOM 321 CA LYS A 24 -10.599 -1.809 -5.001 1.00 43.51 C ATOM 322 C LYS A 24 -9.263 -1.732 -5.731 1.00 13.21 C ATOM 323 O LYS A 24 -8.419 -2.618 -5.596 1.00 72.02 O ATOM 324 CB LYS A 24 -11.710 -2.185 -5.984 1.00 72.10 C ATOM 325 CG LYS A 24 -11.443 -1.726 -7.407 1.00 13.24 C ATOM 326 CD LYS A 24 -12.531 -2.197 -8.358 1.00 74.21 C ATOM 327 CE LYS A 24 -12.895 -1.117 -9.366 1.00 65.24 C ATOM 328 NZ LYS A 24 -13.036 -1.668 -10.742 1.00 3.13 N ATOM 0 H LYS A 24 -11.407 0.125 -4.941 1.00 4.11 H new ATOM 0 HA LYS A 24 -10.528 -2.578 -4.231 1.00 43.51 H new ATOM 0 HB2 LYS A 24 -11.838 -3.267 -5.978 1.00 72.10 H new ATOM 0 HB3 LYS A 24 -12.649 -1.751 -5.641 1.00 72.10 H new ATOM 0 HG2 LYS A 24 -11.381 -0.638 -7.434 1.00 13.24 H new ATOM 0 HG3 LYS A 24 -10.478 -2.109 -7.739 1.00 13.24 H new ATOM 0 HD2 LYS A 24 -12.194 -3.090 -8.885 1.00 74.21 H new ATOM 0 HD3 LYS A 24 -13.417 -2.478 -7.789 1.00 74.21 H new ATOM 0 HE2 LYS A 24 -13.829 -0.642 -9.068 1.00 65.24 H new ATOM 0 HE3 LYS A 24 -12.128 -0.343 -9.362 1.00 65.24 H new ATOM 0 HZ1 LYS A 24 -13.284 -0.901 -11.399 1.00 3.13 H new ATOM 0 HZ2 LYS A 24 -12.137 -2.099 -11.037 1.00 3.13 H new ATOM 0 HZ3 LYS A 24 -13.786 -2.389 -10.752 1.00 3.13 H new ATOM 338 N ASP A 25 -9.076 -0.667 -6.504 1.00 74.14 N ATOM 339 CA ASP A 25 -7.840 -0.475 -7.254 1.00 51.33 C ATOM 340 C ASP A 25 -6.755 0.130 -6.367 1.00 25.40 C ATOM 341 O ASP A 25 -5.572 0.089 -6.702 1.00 31.23 O ATOM 342 CB ASP A 25 -8.088 0.427 -8.463 1.00 43.31 C ATOM 343 CG ASP A 25 -8.923 -0.252 -9.531 1.00 44.31 C ATOM 344 OD1 ASP A 25 -9.203 -1.461 -9.385 1.00 3.53 O ATOM 345 OD2 ASP A 25 -9.297 0.424 -10.511 1.00 45.30 O ATOM 0 H ASP A 25 -9.764 0.076 -6.627 1.00 74.14 H new ATOM 0 HA ASP A 25 -7.499 -1.450 -7.601 1.00 51.33 H new ATOM 0 HB2 ASP A 25 -8.591 1.337 -8.136 1.00 43.31 H new ATOM 0 HB3 ASP A 25 -7.131 0.728 -8.890 1.00 43.31 H new ATOM 349 N TRP A 26 -7.168 0.690 -5.236 1.00 10.21 N ATOM 350 CA TRP A 26 -6.230 1.304 -4.302 1.00 43.23 C ATOM 351 C TRP A 26 -6.437 0.765 -2.891 1.00 41.05 C ATOM 352 O TRP A 26 -7.485 0.981 -2.281 1.00 70.41 O ATOM 353 CB TRP A 26 -6.394 2.825 -4.309 1.00 73.34 C ATOM 354 CG TRP A 26 -5.943 3.464 -5.587 1.00 72.14 C ATOM 355 CD1 TRP A 26 -6.661 3.584 -6.742 1.00 24.41 C ATOM 356 CD2 TRP A 26 -4.670 4.069 -5.840 1.00 44.43 C ATOM 357 NE1 TRP A 26 -5.913 4.228 -7.698 1.00 71.25 N ATOM 358 CE2 TRP A 26 -4.687 4.536 -7.169 1.00 43.51 C ATOM 359 CE3 TRP A 26 -3.518 4.264 -5.073 1.00 24.11 C ATOM 360 CZ2 TRP A 26 -3.597 5.184 -7.744 1.00 33.33 C ATOM 361 CZ3 TRP A 26 -2.438 4.907 -5.646 1.00 54.33 C ATOM 362 CH2 TRP A 26 -2.483 5.361 -6.970 1.00 74.42 C ATOM 0 H TRP A 26 -8.144 0.732 -4.943 1.00 10.21 H new ATOM 0 HA TRP A 26 -5.219 1.053 -4.623 1.00 43.23 H new ATOM 0 HB2 TRP A 26 -7.442 3.071 -4.138 1.00 73.34 H new ATOM 0 HB3 TRP A 26 -5.828 3.248 -3.480 1.00 73.34 H new ATOM 0 HD1 TRP A 26 -7.670 3.225 -6.884 1.00 24.41 H new ATOM 0 HE1 TRP A 26 -6.220 4.442 -8.647 1.00 71.25 H new ATOM 0 HE3 TRP A 26 -3.473 3.918 -4.051 1.00 24.11 H new ATOM 0 HZ2 TRP A 26 -3.630 5.535 -8.765 1.00 33.33 H new ATOM 0 HZ3 TRP A 26 -1.543 5.062 -5.062 1.00 54.33 H new ATOM 0 HH2 TRP A 26 -1.622 5.861 -7.388 1.00 74.42 H new ATOM 372 N TRP A 27 -5.433 0.065 -2.377 1.00 75.53 N ATOM 373 CA TRP A 27 -5.506 -0.505 -1.036 1.00 62.14 C ATOM 374 C TRP A 27 -4.591 0.245 -0.075 1.00 50.43 C ATOM 375 O TRP A 27 -3.379 0.314 -0.281 1.00 15.02 O ATOM 376 CB TRP A 27 -5.128 -1.987 -1.068 1.00 52.42 C ATOM 377 CG TRP A 27 -6.307 -2.899 -1.219 1.00 4.41 C ATOM 378 CD1 TRP A 27 -7.567 -2.549 -1.613 1.00 63.32 C ATOM 379 CD2 TRP A 27 -6.338 -4.309 -0.976 1.00 15.21 C ATOM 380 NE1 TRP A 27 -8.379 -3.658 -1.631 1.00 41.14 N ATOM 381 CE2 TRP A 27 -7.648 -4.750 -1.245 1.00 22.33 C ATOM 382 CE3 TRP A 27 -5.385 -5.243 -0.561 1.00 71.40 C ATOM 383 CZ2 TRP A 27 -8.027 -6.083 -1.109 1.00 63.31 C ATOM 384 CZ3 TRP A 27 -5.762 -6.565 -0.427 1.00 22.40 C ATOM 385 CH2 TRP A 27 -7.074 -6.976 -0.701 1.00 33.33 C ATOM 0 H TRP A 27 -4.559 -0.122 -2.868 1.00 75.53 H new ATOM 0 HA TRP A 27 -6.532 -0.407 -0.682 1.00 62.14 H new ATOM 0 HB2 TRP A 27 -4.436 -2.160 -1.892 1.00 52.42 H new ATOM 0 HB3 TRP A 27 -4.598 -2.239 -0.149 1.00 52.42 H new ATOM 0 HD1 TRP A 27 -7.879 -1.548 -1.872 1.00 63.32 H new ATOM 0 HE1 TRP A 27 -9.366 -3.666 -1.890 1.00 41.14 H new ATOM 0 HE3 TRP A 27 -4.371 -4.937 -0.349 1.00 71.40 H new ATOM 0 HZ2 TRP A 27 -9.038 -6.401 -1.318 1.00 63.31 H new ATOM 0 HZ3 TRP A 27 -5.033 -7.295 -0.106 1.00 22.40 H new ATOM 0 HH2 TRP A 27 -7.338 -8.017 -0.588 1.00 33.33 H new ATOM 395 N LYS A 28 -5.176 0.807 0.977 1.00 2.23 N ATOM 396 CA LYS A 28 -4.414 1.552 1.972 1.00 15.03 C ATOM 397 C LYS A 28 -3.492 0.625 2.756 1.00 71.33 C ATOM 398 O LYS A 28 -3.904 -0.448 3.197 1.00 70.32 O ATOM 399 CB LYS A 28 -5.359 2.280 2.930 1.00 20.53 C ATOM 400 CG LYS A 28 -4.755 3.527 3.550 1.00 54.50 C ATOM 401 CD LYS A 28 -5.528 3.968 4.783 1.00 35.33 C ATOM 402 CE LYS A 28 -5.085 5.344 5.256 1.00 75.05 C ATOM 403 NZ LYS A 28 -6.202 6.099 5.887 1.00 72.30 N ATOM 0 H LYS A 28 -6.178 0.760 1.163 1.00 2.23 H new ATOM 0 HA LYS A 28 -3.802 2.287 1.449 1.00 15.03 H new ATOM 0 HB2 LYS A 28 -6.267 2.555 2.393 1.00 20.53 H new ATOM 0 HB3 LYS A 28 -5.654 1.596 3.725 1.00 20.53 H new ATOM 0 HG2 LYS A 28 -3.717 3.334 3.820 1.00 54.50 H new ATOM 0 HG3 LYS A 28 -4.749 4.333 2.816 1.00 54.50 H new ATOM 0 HD2 LYS A 28 -6.594 3.985 4.558 1.00 35.33 H new ATOM 0 HD3 LYS A 28 -5.383 3.243 5.584 1.00 35.33 H new ATOM 0 HE2 LYS A 28 -4.269 5.237 5.971 1.00 75.05 H new ATOM 0 HE3 LYS A 28 -4.695 5.911 4.410 1.00 75.05 H new ATOM 0 HZ1 LYS A 28 -5.860 7.031 6.196 1.00 72.30 H new ATOM 0 HZ2 LYS A 28 -6.970 6.223 5.197 1.00 72.30 H new ATOM 0 HZ3 LYS A 28 -6.557 5.571 6.709 1.00 72.30 H new ATOM 413 N VAL A 29 -2.243 1.046 2.930 1.00 30.31 N ATOM 414 CA VAL A 29 -1.264 0.254 3.665 1.00 10.22 C ATOM 415 C VAL A 29 -0.312 1.149 4.449 1.00 74.24 C ATOM 416 O VAL A 29 0.110 2.198 3.965 1.00 63.01 O ATOM 417 CB VAL A 29 -0.445 -0.644 2.719 1.00 31.20 C ATOM 418 CG1 VAL A 29 -1.366 -1.514 1.876 1.00 41.44 C ATOM 419 CG2 VAL A 29 0.460 0.201 1.834 1.00 74.44 C ATOM 0 H VAL A 29 -1.885 1.931 2.572 1.00 30.31 H new ATOM 0 HA VAL A 29 -1.821 -0.375 4.359 1.00 10.22 H new ATOM 0 HB VAL A 29 0.183 -1.300 3.322 1.00 31.20 H new ATOM 0 HG11 VAL A 29 -0.769 -2.141 1.214 1.00 41.44 H new ATOM 0 HG12 VAL A 29 -1.968 -2.146 2.529 1.00 41.44 H new ATOM 0 HG13 VAL A 29 -2.022 -0.879 1.280 1.00 41.44 H new ATOM 0 HG21 VAL A 29 1.032 -0.449 1.172 1.00 74.44 H new ATOM 0 HG22 VAL A 29 -0.147 0.882 1.238 1.00 74.44 H new ATOM 0 HG23 VAL A 29 1.145 0.776 2.457 1.00 74.44 H new ATOM 429 N GLU A 30 0.023 0.726 5.665 1.00 72.30 N ATOM 430 CA GLU A 30 0.926 1.489 6.517 1.00 11.55 C ATOM 431 C GLU A 30 2.367 1.017 6.345 1.00 70.41 C ATOM 432 O GLU A 30 2.617 -0.083 5.851 1.00 64.04 O ATOM 433 CB GLU A 30 0.508 1.363 7.984 1.00 25.14 C ATOM 434 CG GLU A 30 1.578 1.815 8.963 1.00 15.01 C ATOM 435 CD GLU A 30 1.070 1.887 10.390 1.00 50.21 C ATOM 436 OE1 GLU A 30 -0.148 1.703 10.595 1.00 41.11 O ATOM 437 OE2 GLU A 30 1.890 2.127 11.301 1.00 14.54 O ATOM 0 H GLU A 30 -0.318 -0.141 6.081 1.00 72.30 H new ATOM 0 HA GLU A 30 0.867 2.536 6.218 1.00 11.55 H new ATOM 0 HB2 GLU A 30 -0.394 1.952 8.148 1.00 25.14 H new ATOM 0 HB3 GLU A 30 0.253 0.324 8.192 1.00 25.14 H new ATOM 0 HG2 GLU A 30 2.422 1.127 8.916 1.00 15.01 H new ATOM 0 HG3 GLU A 30 1.949 2.795 8.663 1.00 15.01 H new ATOM 442 N VAL A 31 3.312 1.856 6.756 1.00 63.23 N ATOM 443 CA VAL A 31 4.728 1.526 6.649 1.00 63.54 C ATOM 444 C VAL A 31 5.502 2.024 7.864 1.00 73.41 C ATOM 445 O VAL A 31 6.016 3.141 7.870 1.00 23.24 O ATOM 446 CB VAL A 31 5.350 2.127 5.375 1.00 22.24 C ATOM 447 CG1 VAL A 31 6.852 1.893 5.353 1.00 15.12 C ATOM 448 CG2 VAL A 31 4.692 1.543 4.135 1.00 33.24 C ATOM 0 H VAL A 31 3.122 2.770 7.167 1.00 63.23 H new ATOM 0 HA VAL A 31 4.797 0.439 6.599 1.00 63.54 H new ATOM 0 HB VAL A 31 5.175 3.203 5.378 1.00 22.24 H new ATOM 0 HG11 VAL A 31 7.274 2.325 4.445 1.00 15.12 H new ATOM 0 HG12 VAL A 31 7.306 2.364 6.224 1.00 15.12 H new ATOM 0 HG13 VAL A 31 7.054 0.822 5.373 1.00 15.12 H new ATOM 0 HG21 VAL A 31 5.144 1.979 3.244 1.00 33.24 H new ATOM 0 HG22 VAL A 31 4.834 0.462 4.122 1.00 33.24 H new ATOM 0 HG23 VAL A 31 3.626 1.769 4.149 1.00 33.24 H new ATOM 458 N ASN A 32 5.583 1.185 8.893 1.00 30.45 N ATOM 459 CA ASN A 32 6.296 1.541 10.114 1.00 45.04 C ATOM 460 C ASN A 32 5.612 2.706 10.823 1.00 65.53 C ATOM 461 O ASN A 32 4.973 2.525 11.860 1.00 50.24 O ATOM 462 CB ASN A 32 7.747 1.905 9.796 1.00 74.10 C ATOM 463 CG ASN A 32 8.502 0.758 9.150 1.00 53.43 C ATOM 464 OD1 ASN A 32 7.832 0.034 8.262 1.00 14.24 O flip ATOM 465 ND2 ASN A 32 9.674 0.528 9.448 1.00 25.24 N flip ATOM 0 H ASN A 32 5.164 0.255 8.905 1.00 30.45 H new ATOM 0 HA ASN A 32 6.283 0.676 10.777 1.00 45.04 H new ATOM 0 HB2 ASN A 32 7.765 2.769 9.131 1.00 74.10 H new ATOM 0 HB3 ASN A 32 8.255 2.199 10.715 1.00 74.10 H new ATOM 0 HD21 ASN A 32 10.149 1.112 10.137 1.00 25.24 H new ATOM 0 HD22 ASN A 32 10.170 -0.246 9.006 1.00 25.24 H new ATOM 471 N ASP A 33 5.749 3.899 10.256 1.00 61.22 N ATOM 472 CA ASP A 33 5.143 5.093 10.833 1.00 11.14 C ATOM 473 C ASP A 33 4.510 5.959 9.748 1.00 52.23 C ATOM 474 O ASP A 33 3.968 7.029 10.030 1.00 74.42 O ATOM 475 CB ASP A 33 6.190 5.902 11.601 1.00 43.24 C ATOM 476 CG ASP A 33 6.622 5.218 12.884 1.00 73.22 C ATOM 477 OD1 ASP A 33 5.789 5.108 13.808 1.00 11.53 O ATOM 478 OD2 ASP A 33 7.794 4.793 12.964 1.00 31.20 O ATOM 0 H ASP A 33 6.274 4.065 9.398 1.00 61.22 H new ATOM 0 HA ASP A 33 4.361 4.776 11.523 1.00 11.14 H new ATOM 0 HB2 ASP A 33 7.061 6.060 10.965 1.00 43.24 H new ATOM 0 HB3 ASP A 33 5.784 6.886 11.836 1.00 43.24 H new ATOM 482 N ARG A 34 4.582 5.490 8.507 1.00 54.41 N ATOM 483 CA ARG A 34 4.019 6.223 7.379 1.00 42.12 C ATOM 484 C ARG A 34 2.994 5.371 6.635 1.00 55.32 C ATOM 485 O ARG A 34 3.286 4.247 6.229 1.00 55.11 O ATOM 486 CB ARG A 34 5.129 6.659 6.420 1.00 73.31 C ATOM 487 CG ARG A 34 6.386 7.142 7.124 1.00 32.21 C ATOM 488 CD ARG A 34 7.609 7.016 6.228 1.00 4.33 C ATOM 489 NE ARG A 34 8.539 8.128 6.412 1.00 63.51 N ATOM 490 CZ ARG A 34 9.598 8.336 5.637 1.00 64.40 C ATOM 491 NH1 ARG A 34 9.858 7.514 4.630 1.00 53.33 N ATOM 492 NH2 ARG A 34 10.397 9.370 5.868 1.00 73.20 N ATOM 0 H ARG A 34 5.025 4.606 8.257 1.00 54.41 H new ATOM 0 HA ARG A 34 3.517 7.109 7.768 1.00 42.12 H new ATOM 0 HB2 ARG A 34 5.385 5.822 5.770 1.00 73.31 H new ATOM 0 HB3 ARG A 34 4.752 7.456 5.780 1.00 73.31 H new ATOM 0 HG2 ARG A 34 6.259 8.182 7.425 1.00 32.21 H new ATOM 0 HG3 ARG A 34 6.540 6.563 8.035 1.00 32.21 H new ATOM 0 HD2 ARG A 34 8.120 6.077 6.442 1.00 4.33 H new ATOM 0 HD3 ARG A 34 7.292 6.977 5.186 1.00 4.33 H new ATOM 0 HE ARG A 34 8.366 8.780 7.177 1.00 63.51 H new ATOM 0 HH11 ARG A 34 9.244 6.720 4.449 1.00 53.33 H new ATOM 0 HH12 ARG A 34 10.672 7.676 4.037 1.00 53.33 H new ATOM 0 HH21 ARG A 34 10.198 10.005 6.641 1.00 73.20 H new ATOM 0 HH22 ARG A 34 11.210 9.529 5.273 1.00 73.20 H new ATOM 503 N GLN A 35 1.795 5.916 6.462 1.00 31.54 N ATOM 504 CA GLN A 35 0.727 5.205 5.768 1.00 11.41 C ATOM 505 C GLN A 35 0.159 6.050 4.632 1.00 35.40 C ATOM 506 O GLN A 35 0.422 7.248 4.545 1.00 11.13 O ATOM 507 CB GLN A 35 -0.387 4.832 6.747 1.00 11.11 C ATOM 508 CG GLN A 35 -0.011 5.044 8.205 1.00 20.43 C ATOM 509 CD GLN A 35 -1.072 4.535 9.162 1.00 34.15 C ATOM 510 OE1 GLN A 35 -0.759 3.993 10.222 1.00 43.42 O ATOM 511 NE2 GLN A 35 -2.334 4.706 8.790 1.00 23.41 N ATOM 0 H GLN A 35 1.538 6.846 6.792 1.00 31.54 H new ATOM 0 HA GLN A 35 1.148 4.294 5.344 1.00 11.41 H new ATOM 0 HB2 GLN A 35 -1.273 5.424 6.519 1.00 11.11 H new ATOM 0 HB3 GLN A 35 -0.655 3.786 6.598 1.00 11.11 H new ATOM 0 HG2 GLN A 35 0.932 4.537 8.411 1.00 20.43 H new ATOM 0 HG3 GLN A 35 0.154 6.107 8.383 1.00 20.43 H new ATOM 0 HE21 GLN A 35 -2.547 5.161 7.902 1.00 23.41 H new ATOM 0 HE22 GLN A 35 -3.091 4.383 9.392 1.00 23.41 H new ATOM 518 N GLY A 36 -0.620 5.415 3.760 1.00 54.52 N ATOM 519 CA GLY A 36 -1.211 6.124 2.641 1.00 24.34 C ATOM 520 C GLY A 36 -1.891 5.191 1.658 1.00 34.22 C ATOM 521 O GLY A 36 -1.796 3.969 1.784 1.00 21.34 O ATOM 0 H GLY A 36 -0.852 4.423 3.809 1.00 54.52 H new ATOM 0 HA2 GLY A 36 -1.938 6.845 3.015 1.00 24.34 H new ATOM 0 HA3 GLY A 36 -0.437 6.690 2.124 1.00 24.34 H new ATOM 525 N PHE A 37 -2.578 5.766 0.678 1.00 24.32 N ATOM 526 CA PHE A 37 -3.279 4.977 -0.329 1.00 30.42 C ATOM 527 C PHE A 37 -2.318 4.509 -1.419 1.00 20.33 C ATOM 528 O PHE A 37 -1.514 5.289 -1.929 1.00 70.32 O ATOM 529 CB PHE A 37 -4.413 5.796 -0.951 1.00 62.34 C ATOM 530 CG PHE A 37 -5.629 5.896 -0.075 1.00 41.22 C ATOM 531 CD1 PHE A 37 -6.637 4.949 -0.154 1.00 5.21 C ATOM 532 CD2 PHE A 37 -5.763 6.939 0.828 1.00 1.32 C ATOM 533 CE1 PHE A 37 -7.757 5.040 0.651 1.00 62.23 C ATOM 534 CE2 PHE A 37 -6.880 7.034 1.636 1.00 64.22 C ATOM 535 CZ PHE A 37 -7.879 6.084 1.546 1.00 43.03 C ATOM 0 H PHE A 37 -2.665 6.775 0.559 1.00 24.32 H new ATOM 0 HA PHE A 37 -3.700 4.099 0.161 1.00 30.42 H new ATOM 0 HB2 PHE A 37 -4.048 6.800 -1.169 1.00 62.34 H new ATOM 0 HB3 PHE A 37 -4.696 5.346 -1.902 1.00 62.34 H new ATOM 0 HD1 PHE A 37 -6.547 4.130 -0.853 1.00 5.21 H new ATOM 0 HD2 PHE A 37 -4.986 7.686 0.901 1.00 1.32 H new ATOM 0 HE1 PHE A 37 -8.536 4.295 0.580 1.00 62.23 H new ATOM 0 HE2 PHE A 37 -6.972 7.850 2.337 1.00 64.22 H new ATOM 0 HZ PHE A 37 -8.754 6.158 2.175 1.00 43.03 H new ATOM 544 N VAL A 38 -2.409 3.230 -1.770 1.00 32.21 N ATOM 545 CA VAL A 38 -1.550 2.657 -2.799 1.00 52.24 C ATOM 546 C VAL A 38 -2.322 1.683 -3.681 1.00 3.13 C ATOM 547 O VAL A 38 -3.332 1.107 -3.276 1.00 60.11 O ATOM 548 CB VAL A 38 -0.344 1.925 -2.180 1.00 43.55 C ATOM 549 CG1 VAL A 38 0.684 2.924 -1.673 1.00 40.34 C ATOM 550 CG2 VAL A 38 -0.800 1.002 -1.059 1.00 32.31 C ATOM 0 H VAL A 38 -3.069 2.571 -1.357 1.00 32.21 H new ATOM 0 HA VAL A 38 -1.190 3.487 -3.407 1.00 52.24 H new ATOM 0 HB VAL A 38 0.126 1.317 -2.953 1.00 43.55 H new ATOM 0 HG11 VAL A 38 1.529 2.389 -1.239 1.00 40.34 H new ATOM 0 HG12 VAL A 38 1.032 3.540 -2.502 1.00 40.34 H new ATOM 0 HG13 VAL A 38 0.229 3.560 -0.914 1.00 40.34 H new ATOM 0 HG21 VAL A 38 0.064 0.493 -0.633 1.00 32.31 H new ATOM 0 HG22 VAL A 38 -1.295 1.588 -0.284 1.00 32.31 H new ATOM 0 HG23 VAL A 38 -1.497 0.264 -1.456 1.00 32.31 H new ATOM 560 N PRO A 39 -1.840 1.494 -4.918 1.00 11.33 N ATOM 561 CA PRO A 39 -2.470 0.590 -5.885 1.00 73.42 C ATOM 562 C PRO A 39 -2.313 -0.876 -5.493 1.00 32.14 C ATOM 563 O PRO A 39 -1.197 -1.387 -5.402 1.00 71.54 O ATOM 564 CB PRO A 39 -1.717 0.880 -7.185 1.00 54.52 C ATOM 565 CG PRO A 39 -0.390 1.399 -6.748 1.00 62.03 C ATOM 566 CD PRO A 39 -0.641 2.150 -5.469 1.00 60.32 C ATOM 0 HA PRO A 39 -3.546 0.752 -5.955 1.00 73.42 H new ATOM 0 HB2 PRO A 39 -1.610 -0.021 -7.790 1.00 54.52 H new ATOM 0 HB3 PRO A 39 -2.247 1.612 -7.794 1.00 54.52 H new ATOM 0 HG2 PRO A 39 0.315 0.583 -6.590 1.00 62.03 H new ATOM 0 HG3 PRO A 39 0.043 2.052 -7.506 1.00 62.03 H new ATOM 0 HD2 PRO A 39 0.206 2.077 -4.787 1.00 60.32 H new ATOM 0 HD3 PRO A 39 -0.812 3.211 -5.653 1.00 60.32 H new ATOM 571 N ALA A 40 -3.437 -1.546 -5.265 1.00 10.22 N ATOM 572 CA ALA A 40 -3.425 -2.954 -4.886 1.00 51.42 C ATOM 573 C ALA A 40 -2.602 -3.779 -5.870 1.00 40.43 C ATOM 574 O ALA A 40 -2.175 -4.890 -5.557 1.00 4.03 O ATOM 575 CB ALA A 40 -4.846 -3.490 -4.802 1.00 13.21 C ATOM 0 H ALA A 40 -4.369 -1.137 -5.336 1.00 10.22 H new ATOM 0 HA ALA A 40 -2.959 -3.038 -3.904 1.00 51.42 H new ATOM 0 HB1 ALA A 40 -4.822 -4.542 -4.518 1.00 13.21 H new ATOM 0 HB2 ALA A 40 -5.404 -2.925 -4.055 1.00 13.21 H new ATOM 0 HB3 ALA A 40 -5.332 -3.387 -5.772 1.00 13.21 H new ATOM 581 N ALA A 41 -2.385 -3.228 -7.060 1.00 72.32 N ATOM 582 CA ALA A 41 -1.613 -3.914 -8.089 1.00 42.31 C ATOM 583 C ALA A 41 -0.162 -4.095 -7.657 1.00 12.20 C ATOM 584 O ALA A 41 0.513 -5.031 -8.087 1.00 61.50 O ATOM 585 CB ALA A 41 -1.683 -3.147 -9.401 1.00 44.02 C ATOM 0 H ALA A 41 -2.733 -2.309 -7.335 1.00 72.32 H new ATOM 0 HA ALA A 41 -2.047 -4.903 -8.235 1.00 42.31 H new ATOM 0 HB1 ALA A 41 -1.102 -3.671 -10.160 1.00 44.02 H new ATOM 0 HB2 ALA A 41 -2.721 -3.074 -9.725 1.00 44.02 H new ATOM 0 HB3 ALA A 41 -1.276 -2.146 -9.259 1.00 44.02 H new ATOM 591 N TYR A 42 0.315 -3.193 -6.806 1.00 24.13 N ATOM 592 CA TYR A 42 1.687 -3.252 -6.319 1.00 44.43 C ATOM 593 C TYR A 42 1.777 -4.084 -5.044 1.00 40.54 C ATOM 594 O TYR A 42 2.869 -4.360 -4.544 1.00 62.14 O ATOM 595 CB TYR A 42 2.220 -1.841 -6.059 1.00 5.25 C ATOM 596 CG TYR A 42 2.523 -1.067 -7.322 1.00 33.01 C ATOM 597 CD1 TYR A 42 1.600 -1.000 -8.358 1.00 75.11 C ATOM 598 CD2 TYR A 42 3.735 -0.403 -7.479 1.00 65.35 C ATOM 599 CE1 TYR A 42 1.875 -0.295 -9.514 1.00 11.43 C ATOM 600 CE2 TYR A 42 4.016 0.306 -8.630 1.00 75.30 C ATOM 601 CZ TYR A 42 3.084 0.357 -9.646 1.00 64.35 C ATOM 602 OH TYR A 42 3.361 1.061 -10.795 1.00 52.25 O ATOM 0 H TYR A 42 -0.229 -2.412 -6.439 1.00 24.13 H new ATOM 0 HA TYR A 42 2.297 -3.728 -7.086 1.00 44.43 H new ATOM 0 HB2 TYR A 42 1.488 -1.288 -5.470 1.00 5.25 H new ATOM 0 HB3 TYR A 42 3.127 -1.909 -5.458 1.00 5.25 H new ATOM 0 HD1 TYR A 42 0.652 -1.507 -8.258 1.00 75.11 H new ATOM 0 HD2 TYR A 42 4.469 -0.443 -6.687 1.00 65.35 H new ATOM 0 HE1 TYR A 42 1.147 -0.254 -10.311 1.00 11.43 H new ATOM 0 HE2 TYR A 42 4.961 0.818 -8.734 1.00 75.30 H new ATOM 0 HH TYR A 42 4.253 1.461 -10.727 1.00 52.25 H new ATOM 611 N VAL A 43 0.621 -4.482 -4.521 1.00 53.13 N ATOM 612 CA VAL A 43 0.569 -5.285 -3.305 1.00 4.53 C ATOM 613 C VAL A 43 -0.339 -6.495 -3.485 1.00 22.52 C ATOM 614 O VAL A 43 -0.943 -6.681 -4.543 1.00 41.13 O ATOM 615 CB VAL A 43 0.068 -4.455 -2.107 1.00 71.34 C ATOM 616 CG1 VAL A 43 1.205 -3.637 -1.511 1.00 21.42 C ATOM 617 CG2 VAL A 43 -1.084 -3.555 -2.527 1.00 64.54 C ATOM 0 H VAL A 43 -0.291 -4.261 -4.920 1.00 53.13 H new ATOM 0 HA VAL A 43 1.585 -5.624 -3.104 1.00 4.53 H new ATOM 0 HB VAL A 43 -0.296 -5.139 -1.340 1.00 71.34 H new ATOM 0 HG11 VAL A 43 0.832 -3.057 -0.666 1.00 21.42 H new ATOM 0 HG12 VAL A 43 1.996 -4.306 -1.171 1.00 21.42 H new ATOM 0 HG13 VAL A 43 1.602 -2.961 -2.268 1.00 21.42 H new ATOM 0 HG21 VAL A 43 -1.425 -2.976 -1.669 1.00 64.54 H new ATOM 0 HG22 VAL A 43 -0.749 -2.877 -3.312 1.00 64.54 H new ATOM 0 HG23 VAL A 43 -1.905 -4.166 -2.902 1.00 64.54 H new ATOM 627 N LYS A 44 -0.434 -7.317 -2.446 1.00 74.13 N ATOM 628 CA LYS A 44 -1.270 -8.511 -2.487 1.00 75.13 C ATOM 629 C LYS A 44 -1.474 -9.081 -1.086 1.00 33.21 C ATOM 630 O LYS A 44 -0.612 -8.946 -0.218 1.00 31.30 O ATOM 631 CB LYS A 44 -0.637 -9.571 -3.392 1.00 30.21 C ATOM 632 CG LYS A 44 -1.653 -10.453 -4.097 1.00 61.41 C ATOM 633 CD LYS A 44 -0.985 -11.388 -5.092 1.00 62.22 C ATOM 634 CE LYS A 44 0.258 -12.034 -4.500 1.00 12.44 C ATOM 635 NZ LYS A 44 0.484 -13.402 -5.042 1.00 30.23 N ATOM 0 H LYS A 44 0.058 -7.178 -1.564 1.00 74.13 H new ATOM 0 HA LYS A 44 -2.242 -8.229 -2.891 1.00 75.13 H new ATOM 0 HB2 LYS A 44 -0.017 -9.076 -4.140 1.00 30.21 H new ATOM 0 HB3 LYS A 44 0.024 -10.199 -2.795 1.00 30.21 H new ATOM 0 HG2 LYS A 44 -2.203 -11.038 -3.359 1.00 61.41 H new ATOM 0 HG3 LYS A 44 -2.381 -9.829 -4.615 1.00 61.41 H new ATOM 0 HD2 LYS A 44 -1.690 -12.162 -5.395 1.00 62.22 H new ATOM 0 HD3 LYS A 44 -0.715 -10.833 -5.990 1.00 62.22 H new ATOM 0 HE2 LYS A 44 1.127 -11.411 -4.712 1.00 12.44 H new ATOM 0 HE3 LYS A 44 0.159 -12.085 -3.416 1.00 12.44 H new ATOM 0 HZ1 LYS A 44 1.340 -13.808 -4.614 1.00 30.23 H new ATOM 0 HZ2 LYS A 44 -0.334 -14.004 -4.818 1.00 30.23 H new ATOM 0 HZ3 LYS A 44 0.604 -13.351 -6.074 1.00 30.23 H new ATOM 645 N LYS A 45 -2.620 -9.719 -0.874 1.00 3.13 N ATOM 646 CA LYS A 45 -2.938 -10.311 0.420 1.00 72.42 C ATOM 647 C LYS A 45 -2.094 -11.558 0.669 1.00 22.43 C ATOM 648 O LYS A 45 -1.726 -12.268 -0.269 1.00 51.34 O ATOM 649 CB LYS A 45 -4.425 -10.666 0.490 1.00 11.42 C ATOM 650 CG LYS A 45 -5.213 -9.795 1.454 1.00 34.31 C ATOM 651 CD LYS A 45 -6.342 -10.571 2.110 1.00 42.12 C ATOM 652 CE LYS A 45 -7.672 -10.312 1.417 1.00 52.11 C ATOM 653 NZ LYS A 45 -8.319 -11.576 0.970 1.00 41.24 N ATOM 0 H LYS A 45 -3.344 -9.839 -1.582 1.00 3.13 H new ATOM 0 HA LYS A 45 -2.709 -9.578 1.194 1.00 72.42 H new ATOM 0 HB2 LYS A 45 -4.859 -10.576 -0.506 1.00 11.42 H new ATOM 0 HB3 LYS A 45 -4.527 -11.709 0.789 1.00 11.42 H new ATOM 0 HG2 LYS A 45 -4.545 -9.404 2.221 1.00 34.31 H new ATOM 0 HG3 LYS A 45 -5.622 -8.937 0.920 1.00 34.31 H new ATOM 0 HD2 LYS A 45 -6.117 -11.637 2.081 1.00 42.12 H new ATOM 0 HD3 LYS A 45 -6.417 -10.289 3.160 1.00 42.12 H new ATOM 0 HE2 LYS A 45 -8.339 -9.783 2.098 1.00 52.11 H new ATOM 0 HE3 LYS A 45 -7.513 -9.661 0.557 1.00 52.11 H new ATOM 0 HZ1 LYS A 45 -9.222 -11.357 0.503 1.00 41.24 H new ATOM 0 HZ2 LYS A 45 -7.693 -12.068 0.301 1.00 41.24 H new ATOM 0 HZ3 LYS A 45 -8.494 -12.186 1.794 1.00 41.24 H new ATOM 663 N LEU A 46 -1.795 -11.822 1.936 1.00 1.44 N ATOM 664 CA LEU A 46 -0.997 -12.984 2.307 1.00 64.34 C ATOM 665 C LEU A 46 -1.779 -13.907 3.237 1.00 31.31 C ATOM 666 O LEU A 46 -2.947 -13.658 3.537 1.00 30.02 O ATOM 667 CB LEU A 46 0.302 -12.541 2.984 1.00 30.41 C ATOM 668 CG LEU A 46 1.105 -11.464 2.254 1.00 4.40 C ATOM 669 CD1 LEU A 46 2.077 -10.785 3.207 1.00 22.42 C ATOM 670 CD2 LEU A 46 1.847 -12.063 1.068 1.00 44.44 C ATOM 0 H LEU A 46 -2.093 -11.247 2.724 1.00 1.44 H new ATOM 0 HA LEU A 46 -0.756 -13.534 1.397 1.00 64.34 H new ATOM 0 HB2 LEU A 46 0.061 -12.173 3.981 1.00 30.41 H new ATOM 0 HB3 LEU A 46 0.939 -13.417 3.112 1.00 30.41 H new ATOM 0 HG LEU A 46 0.411 -10.712 1.879 1.00 4.40 H new ATOM 0 HD11 LEU A 46 2.640 -10.022 2.670 1.00 22.42 H new ATOM 0 HD12 LEU A 46 1.522 -10.321 4.022 1.00 22.42 H new ATOM 0 HD13 LEU A 46 2.766 -11.526 3.613 1.00 22.42 H new ATOM 0 HD21 LEU A 46 2.413 -11.282 0.561 1.00 44.44 H new ATOM 0 HD22 LEU A 46 2.530 -12.836 1.419 1.00 44.44 H new ATOM 0 HD23 LEU A 46 1.130 -12.501 0.374 1.00 44.44 H new ATOM 681 N ASP A 47 -1.127 -14.971 3.693 1.00 0.33 N ATOM 682 CA ASP A 47 -1.760 -15.929 4.591 1.00 54.42 C ATOM 683 C ASP A 47 -1.257 -15.747 6.021 1.00 10.24 C ATOM 684 O ASP A 47 -0.064 -15.879 6.291 1.00 14.03 O ATOM 685 CB ASP A 47 -1.488 -17.358 4.121 1.00 20.34 C ATOM 686 CG ASP A 47 -2.761 -18.105 3.774 1.00 63.40 C ATOM 687 OD1 ASP A 47 -3.407 -17.742 2.768 1.00 5.51 O ATOM 688 OD2 ASP A 47 -3.114 -19.052 4.508 1.00 72.25 O ATOM 0 H ASP A 47 -0.160 -15.192 3.455 1.00 0.33 H new ATOM 0 HA ASP A 47 -2.835 -15.748 4.576 1.00 54.42 H new ATOM 0 HB2 ASP A 47 -0.836 -17.332 3.248 1.00 20.34 H new ATOM 0 HB3 ASP A 47 -0.954 -17.899 4.902 1.00 20.34 H new ATOM 692 N SER A 48 -2.176 -15.442 6.930 1.00 41.54 N ATOM 693 CA SER A 48 -1.826 -15.237 8.331 1.00 50.44 C ATOM 694 C SER A 48 -2.396 -16.351 9.203 1.00 30.42 C ATOM 695 O SER A 48 -1.735 -16.836 10.120 1.00 64.55 O ATOM 696 CB SER A 48 -2.342 -13.881 8.815 1.00 4.13 C ATOM 697 OG SER A 48 -3.422 -13.431 8.015 1.00 30.02 O ATOM 0 H SER A 48 -3.168 -15.331 6.722 1.00 41.54 H new ATOM 0 HA SER A 48 -0.739 -15.255 8.414 1.00 50.44 H new ATOM 0 HB2 SER A 48 -2.663 -13.960 9.854 1.00 4.13 H new ATOM 0 HB3 SER A 48 -1.534 -13.150 8.786 1.00 4.13 H new ATOM 0 HG SER A 48 -3.735 -12.563 8.346 1.00 30.02 H new ATOM 702 N GLY A 49 -3.629 -16.752 8.908 1.00 62.53 N ATOM 703 CA GLY A 49 -4.269 -17.807 9.674 1.00 1.35 C ATOM 704 C GLY A 49 -5.134 -17.266 10.795 1.00 14.12 C ATOM 705 O GLY A 49 -6.360 -17.361 10.746 1.00 70.30 O ATOM 0 H GLY A 49 -4.196 -16.366 8.153 1.00 62.53 H new ATOM 0 HA2 GLY A 49 -4.881 -18.415 9.008 1.00 1.35 H new ATOM 0 HA3 GLY A 49 -3.505 -18.463 10.092 1.00 1.35 H new ATOM 709 N THR A 50 -4.493 -16.697 11.812 1.00 21.43 N ATOM 710 CA THR A 50 -5.211 -16.142 12.952 1.00 51.52 C ATOM 711 C THR A 50 -6.366 -15.257 12.498 1.00 24.13 C ATOM 712 O THR A 50 -7.453 -15.292 13.074 1.00 54.42 O ATOM 713 CB THR A 50 -4.275 -15.319 13.858 1.00 62.13 C ATOM 714 OG1 THR A 50 -5.039 -14.641 14.863 1.00 13.11 O ATOM 715 CG2 THR A 50 -3.486 -14.305 13.044 1.00 73.54 C ATOM 0 H THR A 50 -3.478 -16.609 11.869 1.00 21.43 H new ATOM 0 HA THR A 50 -5.605 -16.986 13.518 1.00 51.52 H new ATOM 0 HB THR A 50 -3.573 -16.003 14.334 1.00 62.13 H new ATOM 0 HG1 THR A 50 -4.437 -14.121 15.436 1.00 13.11 H new ATOM 0 HG21 THR A 50 -2.833 -13.736 13.706 1.00 73.54 H new ATOM 0 HG22 THR A 50 -2.884 -14.826 12.299 1.00 73.54 H new ATOM 0 HG23 THR A 50 -4.175 -13.625 12.543 1.00 73.54 H new ATOM 723 N GLY A 51 -6.124 -14.464 11.457 1.00 62.33 N ATOM 724 CA GLY A 51 -7.155 -13.581 10.943 1.00 30.53 C ATOM 725 C GLY A 51 -6.673 -12.152 10.795 1.00 32.14 C ATOM 726 O GLY A 51 -7.477 -11.226 10.685 1.00 13.12 O ATOM 0 H GLY A 51 -5.234 -14.418 10.962 1.00 62.33 H new ATOM 0 HA2 GLY A 51 -7.495 -13.949 9.975 1.00 30.53 H new ATOM 0 HA3 GLY A 51 -8.015 -13.604 11.612 1.00 30.53 H new ATOM 730 N LYS A 52 -5.357 -11.971 10.792 1.00 52.31 N ATOM 731 CA LYS A 52 -4.767 -10.644 10.656 1.00 4.13 C ATOM 732 C LYS A 52 -5.027 -10.073 9.266 1.00 54.41 C ATOM 733 O LYS A 52 -5.686 -10.702 8.440 1.00 34.43 O ATOM 734 CB LYS A 52 -3.261 -10.703 10.922 1.00 13.24 C ATOM 735 CG LYS A 52 -2.904 -10.710 12.398 1.00 52.00 C ATOM 736 CD LYS A 52 -2.989 -9.317 13.000 1.00 20.40 C ATOM 737 CE LYS A 52 -3.856 -9.302 14.249 1.00 23.11 C ATOM 738 NZ LYS A 52 -3.910 -7.950 14.871 1.00 33.41 N ATOM 0 H LYS A 52 -4.678 -12.727 10.882 1.00 52.31 H new ATOM 0 HA LYS A 52 -5.234 -9.989 11.392 1.00 4.13 H new ATOM 0 HB2 LYS A 52 -2.853 -11.599 10.454 1.00 13.24 H new ATOM 0 HB3 LYS A 52 -2.783 -9.848 10.445 1.00 13.24 H new ATOM 0 HG2 LYS A 52 -3.577 -11.380 12.933 1.00 52.00 H new ATOM 0 HG3 LYS A 52 -1.895 -11.102 12.527 1.00 52.00 H new ATOM 0 HD2 LYS A 52 -1.988 -8.964 13.247 1.00 20.40 H new ATOM 0 HD3 LYS A 52 -3.398 -8.625 12.263 1.00 20.40 H new ATOM 0 HE2 LYS A 52 -4.865 -9.625 13.994 1.00 23.11 H new ATOM 0 HE3 LYS A 52 -3.465 -10.019 14.971 1.00 23.11 H new ATOM 0 HZ1 LYS A 52 -4.511 -7.982 15.719 1.00 33.41 H new ATOM 0 HZ2 LYS A 52 -2.950 -7.652 15.138 1.00 33.41 H new ATOM 0 HZ3 LYS A 52 -4.307 -7.271 14.191 1.00 33.41 H new ATOM 748 N GLU A 53 -4.502 -8.877 9.015 1.00 73.31 N ATOM 749 CA GLU A 53 -4.677 -8.223 7.723 1.00 45.41 C ATOM 750 C GLU A 53 -3.357 -7.648 7.221 1.00 53.21 C ATOM 751 O GLU A 53 -2.985 -6.524 7.562 1.00 21.20 O ATOM 752 CB GLU A 53 -5.724 -7.111 7.828 1.00 12.41 C ATOM 753 CG GLU A 53 -6.805 -7.388 8.858 1.00 65.22 C ATOM 754 CD GLU A 53 -8.040 -6.532 8.652 1.00 62.24 C ATOM 755 OE1 GLU A 53 -8.833 -6.843 7.739 1.00 73.42 O ATOM 756 OE2 GLU A 53 -8.214 -5.551 9.405 1.00 33.21 O ATOM 0 H GLU A 53 -3.953 -8.342 9.688 1.00 73.31 H new ATOM 0 HA GLU A 53 -5.022 -8.971 7.009 1.00 45.41 H new ATOM 0 HB2 GLU A 53 -5.224 -6.176 8.081 1.00 12.41 H new ATOM 0 HB3 GLU A 53 -6.191 -6.970 6.853 1.00 12.41 H new ATOM 0 HG2 GLU A 53 -7.085 -8.440 8.811 1.00 65.22 H new ATOM 0 HG3 GLU A 53 -6.405 -7.208 9.856 1.00 65.22 H new ATOM 761 N LEU A 54 -2.650 -8.426 6.409 1.00 74.23 N ATOM 762 CA LEU A 54 -1.369 -7.996 5.859 1.00 23.54 C ATOM 763 C LEU A 54 -1.388 -8.042 4.335 1.00 34.52 C ATOM 764 O LEU A 54 -2.260 -8.669 3.733 1.00 0.20 O ATOM 765 CB LEU A 54 -0.240 -8.878 6.393 1.00 73.42 C ATOM 766 CG LEU A 54 -0.662 -10.226 6.981 1.00 51.25 C ATOM 767 CD1 LEU A 54 0.486 -11.221 6.913 1.00 52.45 C ATOM 768 CD2 LEU A 54 -1.139 -10.055 8.417 1.00 33.43 C ATOM 0 H LEU A 54 -2.942 -9.358 6.117 1.00 74.23 H new ATOM 0 HA LEU A 54 -1.195 -6.966 6.171 1.00 23.54 H new ATOM 0 HB2 LEU A 54 0.465 -9.063 5.582 1.00 73.42 H new ATOM 0 HB3 LEU A 54 0.297 -8.321 7.161 1.00 73.42 H new ATOM 0 HG LEU A 54 -1.489 -10.617 6.388 1.00 51.25 H new ATOM 0 HD11 LEU A 54 0.167 -12.174 7.336 1.00 52.45 H new ATOM 0 HD12 LEU A 54 0.781 -11.366 5.874 1.00 52.45 H new ATOM 0 HD13 LEU A 54 1.334 -10.838 7.481 1.00 52.45 H new ATOM 0 HD21 LEU A 54 -1.435 -11.024 8.820 1.00 33.43 H new ATOM 0 HD22 LEU A 54 -0.332 -9.642 9.022 1.00 33.43 H new ATOM 0 HD23 LEU A 54 -1.992 -9.377 8.439 1.00 33.43 H new ATOM 779 N VAL A 55 -0.419 -7.377 3.715 1.00 10.51 N ATOM 780 CA VAL A 55 -0.322 -7.344 2.261 1.00 1.20 C ATOM 781 C VAL A 55 1.120 -7.135 1.810 1.00 44.32 C ATOM 782 O VAL A 55 1.730 -6.106 2.105 1.00 70.30 O ATOM 783 CB VAL A 55 -1.202 -6.228 1.665 1.00 73.42 C ATOM 784 CG1 VAL A 55 -2.606 -6.745 1.390 1.00 40.31 C ATOM 785 CG2 VAL A 55 -1.239 -5.026 2.594 1.00 51.45 C ATOM 0 H VAL A 55 0.311 -6.853 4.198 1.00 10.51 H new ATOM 0 HA VAL A 55 -0.676 -8.309 1.898 1.00 1.20 H new ATOM 0 HB VAL A 55 -0.766 -5.912 0.718 1.00 73.42 H new ATOM 0 HG11 VAL A 55 -3.213 -5.943 0.970 1.00 40.31 H new ATOM 0 HG12 VAL A 55 -2.557 -7.572 0.682 1.00 40.31 H new ATOM 0 HG13 VAL A 55 -3.055 -7.090 2.321 1.00 40.31 H new ATOM 0 HG21 VAL A 55 -1.865 -4.248 2.157 1.00 51.45 H new ATOM 0 HG22 VAL A 55 -1.650 -5.324 3.558 1.00 51.45 H new ATOM 0 HG23 VAL A 55 -0.228 -4.643 2.734 1.00 51.45 H new ATOM 795 N LEU A 56 1.658 -8.116 1.096 1.00 13.05 N ATOM 796 CA LEU A 56 3.029 -8.039 0.603 1.00 73.30 C ATOM 797 C LEU A 56 3.137 -7.056 -0.559 1.00 74.54 C ATOM 798 O LEU A 56 2.171 -6.832 -1.286 1.00 31.23 O ATOM 799 CB LEU A 56 3.511 -9.423 0.162 1.00 11.34 C ATOM 800 CG LEU A 56 5.008 -9.554 -0.119 1.00 41.12 C ATOM 801 CD1 LEU A 56 5.381 -8.810 -1.392 1.00 71.11 C ATOM 802 CD2 LEU A 56 5.820 -9.036 1.060 1.00 23.34 C ATOM 0 H LEU A 56 1.167 -8.974 0.845 1.00 13.05 H new ATOM 0 HA LEU A 56 3.661 -7.682 1.416 1.00 73.30 H new ATOM 0 HB2 LEU A 56 3.243 -10.143 0.935 1.00 11.34 H new ATOM 0 HB3 LEU A 56 2.966 -9.705 -0.739 1.00 11.34 H new ATOM 0 HG LEU A 56 5.239 -10.610 -0.259 1.00 41.12 H new ATOM 0 HD11 LEU A 56 6.450 -8.915 -1.575 1.00 71.11 H new ATOM 0 HD12 LEU A 56 4.826 -9.227 -2.233 1.00 71.11 H new ATOM 0 HD13 LEU A 56 5.134 -7.754 -1.282 1.00 71.11 H new ATOM 0 HD21 LEU A 56 6.883 -9.137 0.842 1.00 23.34 H new ATOM 0 HD22 LEU A 56 5.583 -7.986 1.232 1.00 23.34 H new ATOM 0 HD23 LEU A 56 5.576 -9.613 1.952 1.00 23.34 H new ATOM 813 N ALA A 57 4.320 -6.474 -0.727 1.00 72.34 N ATOM 814 CA ALA A 57 4.556 -5.519 -1.801 1.00 4.02 C ATOM 815 C ALA A 57 5.124 -6.210 -3.037 1.00 64.33 C ATOM 816 O ALA A 57 6.285 -6.619 -3.052 1.00 14.24 O ATOM 817 CB ALA A 57 5.494 -4.417 -1.333 1.00 55.11 C ATOM 0 H ALA A 57 5.130 -6.648 -0.132 1.00 72.34 H new ATOM 0 HA ALA A 57 3.599 -5.074 -2.073 1.00 4.02 H new ATOM 0 HB1 ALA A 57 5.661 -3.711 -2.147 1.00 55.11 H new ATOM 0 HB2 ALA A 57 5.049 -3.896 -0.486 1.00 55.11 H new ATOM 0 HB3 ALA A 57 6.446 -4.853 -1.031 1.00 55.11 H new ATOM 823 N LEU A 58 4.296 -6.340 -4.068 1.00 15.23 N ATOM 824 CA LEU A 58 4.716 -6.984 -5.309 1.00 55.43 C ATOM 825 C LEU A 58 5.661 -6.082 -6.097 1.00 2.43 C ATOM 826 O LEU A 58 6.650 -6.547 -6.666 1.00 43.24 O ATOM 827 CB LEU A 58 3.498 -7.335 -6.162 1.00 64.12 C ATOM 828 CG LEU A 58 2.317 -7.964 -5.420 1.00 35.50 C ATOM 829 CD1 LEU A 58 1.192 -8.292 -6.389 1.00 62.24 C ATOM 830 CD2 LEU A 58 2.762 -9.215 -4.675 1.00 52.43 C ATOM 0 H LEU A 58 3.331 -6.009 -4.070 1.00 15.23 H new ATOM 0 HA LEU A 58 5.247 -7.900 -5.052 1.00 55.43 H new ATOM 0 HB2 LEU A 58 3.150 -6.427 -6.654 1.00 64.12 H new ATOM 0 HB3 LEU A 58 3.815 -8.021 -6.947 1.00 64.12 H new ATOM 0 HG LEU A 58 1.944 -7.244 -4.692 1.00 35.50 H new ATOM 0 HD11 LEU A 58 0.361 -8.739 -5.844 1.00 62.24 H new ATOM 0 HD12 LEU A 58 0.856 -7.378 -6.879 1.00 62.24 H new ATOM 0 HD13 LEU A 58 1.552 -8.995 -7.140 1.00 62.24 H new ATOM 0 HD21 LEU A 58 1.910 -9.650 -4.153 1.00 52.43 H new ATOM 0 HD22 LEU A 58 3.160 -9.939 -5.386 1.00 52.43 H new ATOM 0 HD23 LEU A 58 3.535 -8.953 -3.953 1.00 52.43 H new ATOM 841 N TYR A 59 5.351 -4.790 -6.126 1.00 70.23 N ATOM 842 CA TYR A 59 6.172 -3.823 -6.845 1.00 13.01 C ATOM 843 C TYR A 59 6.569 -2.664 -5.936 1.00 4.52 C ATOM 844 O TYR A 59 6.166 -2.604 -4.774 1.00 15.11 O ATOM 845 CB TYR A 59 5.421 -3.294 -8.068 1.00 44.24 C ATOM 846 CG TYR A 59 4.579 -4.341 -8.761 1.00 35.35 C ATOM 847 CD1 TYR A 59 5.078 -5.617 -8.996 1.00 25.44 C ATOM 848 CD2 TYR A 59 3.287 -4.056 -9.182 1.00 43.13 C ATOM 849 CE1 TYR A 59 4.313 -6.577 -9.631 1.00 73.21 C ATOM 850 CE2 TYR A 59 2.514 -5.010 -9.816 1.00 43.33 C ATOM 851 CZ TYR A 59 3.032 -6.269 -10.038 1.00 2.00 C ATOM 852 OH TYR A 59 2.266 -7.222 -10.669 1.00 55.21 O ATOM 0 H TYR A 59 4.537 -4.389 -5.660 1.00 70.23 H new ATOM 0 HA TYR A 59 7.079 -4.329 -7.176 1.00 13.01 H new ATOM 0 HB2 TYR A 59 4.779 -2.469 -7.761 1.00 44.24 H new ATOM 0 HB3 TYR A 59 6.141 -2.890 -8.779 1.00 44.24 H new ATOM 0 HD1 TYR A 59 6.080 -5.862 -8.677 1.00 25.44 H new ATOM 0 HD2 TYR A 59 2.879 -3.071 -9.011 1.00 43.13 H new ATOM 0 HE1 TYR A 59 4.716 -7.563 -9.808 1.00 73.21 H new ATOM 0 HE2 TYR A 59 1.510 -4.771 -10.136 1.00 43.33 H new ATOM 0 HH TYR A 59 1.389 -6.844 -10.889 1.00 55.21 H new ATOM 861 N ASP A 60 7.361 -1.743 -6.475 1.00 50.03 N ATOM 862 CA ASP A 60 7.813 -0.583 -5.715 1.00 20.32 C ATOM 863 C ASP A 60 6.892 0.611 -5.949 1.00 14.21 C ATOM 864 O ASP A 60 6.550 0.930 -7.088 1.00 2.51 O ATOM 865 CB ASP A 60 9.247 -0.220 -6.102 1.00 23.20 C ATOM 866 CG ASP A 60 9.452 -0.188 -7.604 1.00 23.41 C ATOM 867 OD1 ASP A 60 9.786 -1.245 -8.180 1.00 32.33 O ATOM 868 OD2 ASP A 60 9.276 0.893 -8.203 1.00 74.13 O ATOM 0 H ASP A 60 7.703 -1.777 -7.435 1.00 50.03 H new ATOM 0 HA ASP A 60 7.785 -0.839 -4.656 1.00 20.32 H new ATOM 0 HB2 ASP A 60 9.497 0.755 -5.683 1.00 23.20 H new ATOM 0 HB3 ASP A 60 9.933 -0.942 -5.660 1.00 23.20 H new ATOM 872 N TYR A 61 6.494 1.266 -4.863 1.00 32.45 N ATOM 873 CA TYR A 61 5.610 2.422 -4.950 1.00 11.31 C ATOM 874 C TYR A 61 6.119 3.563 -4.074 1.00 44.24 C ATOM 875 O TYR A 61 7.003 3.371 -3.239 1.00 1.12 O ATOM 876 CB TYR A 61 4.190 2.037 -4.532 1.00 3.41 C ATOM 877 CG TYR A 61 3.187 3.156 -4.697 1.00 2.10 C ATOM 878 CD1 TYR A 61 3.080 4.165 -3.747 1.00 22.24 C ATOM 879 CD2 TYR A 61 2.346 3.205 -5.802 1.00 21.13 C ATOM 880 CE1 TYR A 61 2.163 5.189 -3.893 1.00 30.34 C ATOM 881 CE2 TYR A 61 1.428 4.225 -5.957 1.00 34.15 C ATOM 882 CZ TYR A 61 1.340 5.214 -5.000 1.00 12.34 C ATOM 883 OH TYR A 61 0.427 6.233 -5.150 1.00 4.01 O ATOM 0 H TYR A 61 6.770 1.016 -3.913 1.00 32.45 H new ATOM 0 HA TYR A 61 5.597 2.761 -5.986 1.00 11.31 H new ATOM 0 HB2 TYR A 61 3.866 1.180 -5.122 1.00 3.41 H new ATOM 0 HB3 TYR A 61 4.200 1.720 -3.489 1.00 3.41 H new ATOM 0 HD1 TYR A 61 3.724 4.149 -2.880 1.00 22.24 H new ATOM 0 HD2 TYR A 61 2.411 2.432 -6.553 1.00 21.13 H new ATOM 0 HE1 TYR A 61 2.091 5.965 -3.145 1.00 30.34 H new ATOM 0 HE2 TYR A 61 0.783 4.248 -6.823 1.00 34.15 H new ATOM 0 HH TYR A 61 0.666 6.976 -4.557 1.00 4.01 H new ATOM 892 N GLN A 62 5.553 4.749 -4.271 1.00 35.33 N ATOM 893 CA GLN A 62 5.948 5.921 -3.499 1.00 14.02 C ATOM 894 C GLN A 62 4.791 6.907 -3.374 1.00 73.33 C ATOM 895 O GLN A 62 4.399 7.545 -4.350 1.00 0.02 O ATOM 896 CB GLN A 62 7.149 6.607 -4.153 1.00 13.42 C ATOM 897 CG GLN A 62 8.330 6.793 -3.214 1.00 2.33 C ATOM 898 CD GLN A 62 8.180 8.012 -2.323 1.00 33.24 C ATOM 899 OE1 GLN A 62 7.079 8.073 -1.585 1.00 20.32 O flip ATOM 900 NE2 GLN A 62 9.045 8.888 -2.300 1.00 62.23 N flip ATOM 0 H GLN A 62 4.820 4.924 -4.958 1.00 35.33 H new ATOM 0 HA GLN A 62 6.227 5.589 -2.499 1.00 14.02 H new ATOM 0 HB2 GLN A 62 7.469 6.019 -5.013 1.00 13.42 H new ATOM 0 HB3 GLN A 62 6.839 7.581 -4.531 1.00 13.42 H new ATOM 0 HG2 GLN A 62 8.439 5.904 -2.592 1.00 2.33 H new ATOM 0 HG3 GLN A 62 9.244 6.886 -3.800 1.00 2.33 H new ATOM 0 HE21 GLN A 62 9.876 8.800 -2.885 1.00 62.23 H new ATOM 0 HE22 GLN A 62 8.930 9.702 -1.696 1.00 62.23 H new ATOM 907 N GLU A 63 4.248 7.024 -2.165 1.00 35.34 N ATOM 908 CA GLU A 63 3.135 7.931 -1.914 1.00 14.14 C ATOM 909 C GLU A 63 3.609 9.186 -1.188 1.00 43.12 C ATOM 910 O GLU A 63 4.321 9.105 -0.186 1.00 12.22 O ATOM 911 CB GLU A 63 2.053 7.229 -1.091 1.00 24.15 C ATOM 912 CG GLU A 63 0.647 7.442 -1.627 1.00 64.41 C ATOM 913 CD GLU A 63 0.493 8.763 -2.355 1.00 34.12 C ATOM 914 OE1 GLU A 63 0.231 9.783 -1.684 1.00 2.41 O ATOM 915 OE2 GLU A 63 0.636 8.777 -3.596 1.00 40.05 O ATOM 0 H GLU A 63 4.561 6.503 -1.346 1.00 35.34 H new ATOM 0 HA GLU A 63 2.715 8.226 -2.876 1.00 14.14 H new ATOM 0 HB2 GLU A 63 2.265 6.160 -1.064 1.00 24.15 H new ATOM 0 HB3 GLU A 63 2.099 7.589 -0.063 1.00 24.15 H new ATOM 0 HG2 GLU A 63 0.393 6.627 -2.304 1.00 64.41 H new ATOM 0 HG3 GLU A 63 -0.063 7.402 -0.801 1.00 64.41 H new ATOM 920 N SER A 64 3.208 10.346 -1.699 1.00 73.22 N ATOM 921 CA SER A 64 3.595 11.619 -1.101 1.00 33.20 C ATOM 922 C SER A 64 2.415 12.260 -0.377 1.00 52.14 C ATOM 923 O SER A 64 1.758 13.154 -0.907 1.00 34.42 O ATOM 924 CB SER A 64 4.126 12.569 -2.175 1.00 15.32 C ATOM 925 OG SER A 64 3.099 12.947 -3.076 1.00 73.40 O ATOM 0 H SER A 64 2.616 10.431 -2.525 1.00 73.22 H new ATOM 0 HA SER A 64 4.384 11.426 -0.374 1.00 33.20 H new ATOM 0 HB2 SER A 64 4.545 13.458 -1.703 1.00 15.32 H new ATOM 0 HB3 SER A 64 4.935 12.087 -2.723 1.00 15.32 H new ATOM 0 HG SER A 64 2.233 12.910 -2.619 1.00 73.40 H new ATOM 930 N GLY A 65 2.154 11.794 0.841 1.00 2.41 N ATOM 931 CA GLY A 65 1.054 12.333 1.620 1.00 62.42 C ATOM 932 C GLY A 65 -0.230 11.552 1.426 1.00 64.31 C ATOM 933 O GLY A 65 -0.905 11.696 0.406 1.00 1.10 O ATOM 0 H GLY A 65 2.684 11.054 1.302 1.00 2.41 H new ATOM 0 HA2 GLY A 65 1.323 12.327 2.676 1.00 62.42 H new ATOM 0 HA3 GLY A 65 0.889 13.373 1.339 1.00 62.42 H new ATOM 937 N ASP A 66 -0.569 10.721 2.405 1.00 61.42 N ATOM 938 CA ASP A 66 -1.782 9.912 2.337 1.00 54.15 C ATOM 939 C ASP A 66 -2.910 10.682 1.661 1.00 24.44 C ATOM 940 O ASP A 66 -3.515 11.572 2.259 1.00 13.33 O ATOM 941 CB ASP A 66 -2.212 9.481 3.741 1.00 35.12 C ATOM 942 CG ASP A 66 -3.693 9.172 3.822 1.00 63.23 C ATOM 943 OD1 ASP A 66 -4.161 8.304 3.056 1.00 3.40 O ATOM 944 OD2 ASP A 66 -4.385 9.799 4.652 1.00 72.23 O ATOM 0 H ASP A 66 -0.022 10.589 3.255 1.00 61.42 H new ATOM 0 HA ASP A 66 -1.565 9.024 1.743 1.00 54.15 H new ATOM 0 HB2 ASP A 66 -1.643 8.600 4.038 1.00 35.12 H new ATOM 0 HB3 ASP A 66 -1.969 10.271 4.451 1.00 35.12 H new ATOM 948 N ASN A 67 -3.190 10.335 0.408 1.00 72.40 N ATOM 949 CA ASN A 67 -4.245 10.994 -0.352 1.00 63.24 C ATOM 950 C ASN A 67 -5.269 9.980 -0.853 1.00 20.21 C ATOM 951 O ASN A 67 -4.966 8.796 -0.998 1.00 3.43 O ATOM 952 CB ASN A 67 -3.649 11.761 -1.533 1.00 3.05 C ATOM 953 CG ASN A 67 -4.455 12.997 -1.886 1.00 30.43 C ATOM 954 OD1 ASN A 67 -4.782 13.226 -3.051 1.00 52.12 O ATOM 955 ND2 ASN A 67 -4.778 13.799 -0.879 1.00 61.33 N ATOM 0 H ASN A 67 -2.700 9.600 -0.102 1.00 72.40 H new ATOM 0 HA ASN A 67 -4.751 11.697 0.310 1.00 63.24 H new ATOM 0 HB2 ASN A 67 -2.627 12.053 -1.294 1.00 3.05 H new ATOM 0 HB3 ASN A 67 -3.598 11.104 -2.401 1.00 3.05 H new ATOM 0 HD21 ASN A 67 -5.319 14.646 -1.055 1.00 61.33 H new ATOM 0 HD22 ASN A 67 -4.485 13.569 0.071 1.00 61.33 H new ATOM 961 N ALA A 68 -6.483 10.454 -1.117 1.00 53.23 N ATOM 962 CA ALA A 68 -7.551 9.590 -1.605 1.00 75.14 C ATOM 963 C ALA A 68 -7.360 9.262 -3.082 1.00 74.34 C ATOM 964 O ALA A 68 -7.013 10.120 -3.894 1.00 25.50 O ATOM 965 CB ALA A 68 -8.904 10.246 -1.379 1.00 24.22 C ATOM 0 H ALA A 68 -6.751 11.431 -1.001 1.00 53.23 H new ATOM 0 HA ALA A 68 -7.514 8.656 -1.045 1.00 75.14 H new ATOM 0 HB1 ALA A 68 -9.693 9.590 -1.748 1.00 24.22 H new ATOM 0 HB2 ALA A 68 -9.049 10.424 -0.313 1.00 24.22 H new ATOM 0 HB3 ALA A 68 -8.942 11.195 -1.913 1.00 24.22 H new ATOM 971 N PRO A 69 -7.589 7.989 -3.440 1.00 13.22 N ATOM 972 CA PRO A 69 -7.448 7.519 -4.822 1.00 73.14 C ATOM 973 C PRO A 69 -8.532 8.075 -5.738 1.00 71.44 C ATOM 974 O PRO A 69 -9.594 7.472 -5.895 1.00 3.21 O ATOM 975 CB PRO A 69 -7.583 5.999 -4.694 1.00 13.32 C ATOM 976 CG PRO A 69 -8.383 5.793 -3.454 1.00 0.43 C ATOM 977 CD PRO A 69 -8.004 6.913 -2.525 1.00 74.20 C ATOM 0 HA PRO A 69 -6.507 7.842 -5.268 1.00 73.14 H new ATOM 0 HB2 PRO A 69 -8.083 5.571 -5.563 1.00 13.32 H new ATOM 0 HB3 PRO A 69 -6.607 5.520 -4.620 1.00 13.32 H new ATOM 0 HG2 PRO A 69 -9.451 5.811 -3.671 1.00 0.43 H new ATOM 0 HG3 PRO A 69 -8.165 4.824 -3.006 1.00 0.43 H new ATOM 0 HD2 PRO A 69 -8.843 7.218 -1.900 1.00 74.20 H new ATOM 0 HD3 PRO A 69 -7.196 6.622 -1.854 1.00 74.20 H new ATOM 982 N SER A 70 -8.257 9.227 -6.340 1.00 42.50 N ATOM 983 CA SER A 70 -9.212 9.866 -7.239 1.00 52.34 C ATOM 984 C SER A 70 -8.871 9.568 -8.695 1.00 33.32 C ATOM 985 O SER A 70 -9.584 9.981 -9.609 1.00 24.53 O ATOM 986 CB SER A 70 -9.229 11.379 -7.007 1.00 71.02 C ATOM 987 OG SER A 70 -8.147 12.009 -7.672 1.00 71.14 O ATOM 0 H SER A 70 -7.382 9.737 -6.222 1.00 42.50 H new ATOM 0 HA SER A 70 -10.201 9.461 -7.026 1.00 52.34 H new ATOM 0 HB2 SER A 70 -10.171 11.794 -7.364 1.00 71.02 H new ATOM 0 HB3 SER A 70 -9.174 11.587 -5.938 1.00 71.02 H new ATOM 0 HG SER A 70 -8.181 12.975 -7.510 1.00 71.14 H new ATOM 992 N TYR A 71 -7.774 8.847 -8.904 1.00 2.12 N ATOM 993 CA TYR A 71 -7.336 8.494 -10.249 1.00 1.44 C ATOM 994 C TYR A 71 -6.981 7.013 -10.335 1.00 21.44 C ATOM 995 O TYR A 71 -6.939 6.313 -9.323 1.00 4.01 O ATOM 996 CB TYR A 71 -6.130 9.343 -10.654 1.00 42.13 C ATOM 997 CG TYR A 71 -5.079 9.457 -9.574 1.00 61.25 C ATOM 998 CD1 TYR A 71 -4.560 8.323 -8.961 1.00 61.15 C ATOM 999 CD2 TYR A 71 -4.606 10.697 -9.164 1.00 40.32 C ATOM 1000 CE1 TYR A 71 -3.600 8.421 -7.971 1.00 1.34 C ATOM 1001 CE2 TYR A 71 -3.645 10.805 -8.178 1.00 41.42 C ATOM 1002 CZ TYR A 71 -3.145 9.665 -7.584 1.00 62.11 C ATOM 1003 OH TYR A 71 -2.189 9.769 -6.600 1.00 53.01 O ATOM 0 H TYR A 71 -7.172 8.496 -8.159 1.00 2.12 H new ATOM 0 HA TYR A 71 -8.159 8.692 -10.936 1.00 1.44 H new ATOM 0 HB2 TYR A 71 -5.676 8.912 -11.546 1.00 42.13 H new ATOM 0 HB3 TYR A 71 -6.473 10.342 -10.922 1.00 42.13 H new ATOM 0 HD1 TYR A 71 -4.913 7.348 -9.263 1.00 61.15 H new ATOM 0 HD2 TYR A 71 -4.997 11.592 -9.624 1.00 40.32 H new ATOM 0 HE1 TYR A 71 -3.209 7.530 -7.503 1.00 1.34 H new ATOM 0 HE2 TYR A 71 -3.287 11.777 -7.874 1.00 41.42 H new ATOM 0 HH TYR A 71 -1.978 10.714 -6.447 1.00 53.01 H new ATOM 1012 N SER A 72 -6.727 6.542 -11.552 1.00 13.21 N ATOM 1013 CA SER A 72 -6.378 5.144 -11.773 1.00 72.11 C ATOM 1014 C SER A 72 -4.988 4.836 -11.224 1.00 2.21 C ATOM 1015 O SER A 72 -4.137 5.717 -11.089 1.00 22.53 O ATOM 1016 CB SER A 72 -6.435 4.812 -13.265 1.00 35.22 C ATOM 1017 OG SER A 72 -7.756 4.493 -13.666 1.00 22.13 O ATOM 0 H SER A 72 -6.756 7.108 -12.400 1.00 13.21 H new ATOM 0 HA SER A 72 -7.103 4.527 -11.243 1.00 72.11 H new ATOM 0 HB2 SER A 72 -6.071 5.661 -13.844 1.00 35.22 H new ATOM 0 HB3 SER A 72 -5.774 3.973 -13.480 1.00 35.22 H new ATOM 0 HG SER A 72 -7.766 4.286 -14.624 1.00 22.13 H new ATOM 1022 N PRO A 73 -4.750 3.557 -10.901 1.00 61.03 N ATOM 1023 CA PRO A 73 -3.464 3.103 -10.362 1.00 64.14 C ATOM 1024 C PRO A 73 -2.351 3.149 -11.403 1.00 51.13 C ATOM 1025 O PRO A 73 -2.579 2.962 -12.598 1.00 12.20 O ATOM 1026 CB PRO A 73 -3.746 1.658 -9.943 1.00 34.33 C ATOM 1027 CG PRO A 73 -4.880 1.227 -10.808 1.00 60.45 C ATOM 1028 CD PRO A 73 -5.718 2.455 -11.035 1.00 14.32 C ATOM 0 HA PRO A 73 -3.116 3.737 -9.547 1.00 64.14 H new ATOM 0 HB2 PRO A 73 -2.871 1.025 -10.092 1.00 34.33 H new ATOM 0 HB3 PRO A 73 -4.008 1.596 -8.887 1.00 34.33 H new ATOM 0 HG2 PRO A 73 -4.518 0.822 -11.753 1.00 60.45 H new ATOM 0 HG3 PRO A 73 -5.462 0.441 -10.326 1.00 60.45 H new ATOM 0 HD2 PRO A 73 -6.184 2.447 -12.020 1.00 14.32 H new ATOM 0 HD3 PRO A 73 -6.521 2.534 -10.303 1.00 14.32 H new ATOM 1033 N PRO A 74 -1.118 3.402 -10.941 1.00 73.51 N ATOM 1034 CA PRO A 74 0.056 3.477 -11.816 1.00 25.24 C ATOM 1035 C PRO A 74 0.443 2.116 -12.385 1.00 20.40 C ATOM 1036 O PRO A 74 0.193 1.071 -11.783 1.00 14.12 O ATOM 1037 CB PRO A 74 1.156 4.001 -10.890 1.00 4.10 C ATOM 1038 CG PRO A 74 0.730 3.590 -9.524 1.00 22.11 C ATOM 1039 CD PRO A 74 -0.773 3.634 -9.528 1.00 5.12 C ATOM 0 HA PRO A 74 -0.124 4.108 -12.686 1.00 25.24 H new ATOM 0 HB2 PRO A 74 2.126 3.575 -11.147 1.00 4.10 H new ATOM 0 HB3 PRO A 74 1.254 5.084 -10.965 1.00 4.10 H new ATOM 0 HG2 PRO A 74 1.090 2.589 -9.288 1.00 22.11 H new ATOM 0 HG3 PRO A 74 1.138 4.262 -8.769 1.00 22.11 H new ATOM 0 HD2 PRO A 74 -1.199 2.868 -8.880 1.00 5.12 H new ATOM 0 HD3 PRO A 74 -1.148 4.595 -9.176 1.00 5.12 H new ATOM 1044 N PRO A 75 1.066 2.126 -13.572 1.00 12.13 N ATOM 1045 CA PRO A 75 1.502 0.900 -14.248 1.00 30.11 C ATOM 1046 C PRO A 75 2.666 0.225 -13.531 1.00 11.35 C ATOM 1047 O PRO A 75 3.705 0.835 -13.273 1.00 32.51 O ATOM 1048 CB PRO A 75 1.938 1.392 -15.630 1.00 24.43 C ATOM 1049 CG PRO A 75 2.309 2.820 -15.424 1.00 0.14 C ATOM 1050 CD PRO A 75 1.396 3.335 -14.347 1.00 21.21 C ATOM 0 HA PRO A 75 0.713 0.149 -14.278 1.00 30.11 H new ATOM 0 HB2 PRO A 75 2.782 0.814 -16.008 1.00 24.43 H new ATOM 0 HB3 PRO A 75 1.133 1.293 -16.358 1.00 24.43 H new ATOM 0 HG2 PRO A 75 3.354 2.913 -15.127 1.00 0.14 H new ATOM 0 HG3 PRO A 75 2.188 3.391 -16.344 1.00 0.14 H new ATOM 0 HD2 PRO A 75 1.887 4.087 -13.729 1.00 21.21 H new ATOM 0 HD3 PRO A 75 0.503 3.800 -14.765 1.00 21.21 H new ATOM 1055 N PRO A 76 2.493 -1.064 -13.201 1.00 15.45 N ATOM 1056 CA PRO A 76 3.520 -1.848 -12.511 1.00 74.32 C ATOM 1057 C PRO A 76 4.725 -2.136 -13.400 1.00 73.31 C ATOM 1058 O PRO A 76 4.708 -1.895 -14.607 1.00 12.11 O ATOM 1059 CB PRO A 76 2.794 -3.149 -12.157 1.00 51.25 C ATOM 1060 CG PRO A 76 1.704 -3.261 -13.167 1.00 73.11 C ATOM 1061 CD PRO A 76 1.281 -1.852 -13.478 1.00 20.55 C ATOM 0 HA PRO A 76 3.924 -1.320 -11.647 1.00 74.32 H new ATOM 0 HB2 PRO A 76 3.468 -4.004 -12.205 1.00 51.25 H new ATOM 0 HB3 PRO A 76 2.393 -3.116 -11.144 1.00 51.25 H new ATOM 0 HG2 PRO A 76 2.055 -3.770 -14.065 1.00 73.11 H new ATOM 0 HG3 PRO A 76 0.869 -3.842 -12.777 1.00 73.11 H new ATOM 0 HD2 PRO A 76 0.962 -1.748 -14.515 1.00 20.55 H new ATOM 0 HD3 PRO A 76 0.445 -1.536 -12.854 1.00 20.55 H new ATOM 1066 N PRO A 77 5.796 -2.667 -12.792 1.00 54.32 N ATOM 1067 CA PRO A 77 7.030 -2.999 -13.511 1.00 61.34 C ATOM 1068 C PRO A 77 6.852 -4.190 -14.447 1.00 1.12 C ATOM 1069 O PRO A 77 7.764 -4.547 -15.193 1.00 72.24 O ATOM 1070 CB PRO A 77 8.012 -3.345 -12.388 1.00 71.11 C ATOM 1071 CG PRO A 77 7.152 -3.788 -11.255 1.00 0.24 C ATOM 1072 CD PRO A 77 5.887 -2.981 -11.356 1.00 41.31 C ATOM 0 HA PRO A 77 7.362 -2.181 -14.150 1.00 61.34 H new ATOM 0 HB2 PRO A 77 8.701 -4.133 -12.693 1.00 71.11 H new ATOM 0 HB3 PRO A 77 8.617 -2.482 -12.111 1.00 71.11 H new ATOM 0 HG2 PRO A 77 6.940 -4.855 -11.320 1.00 0.24 H new ATOM 0 HG3 PRO A 77 7.648 -3.619 -10.299 1.00 0.24 H new ATOM 0 HD2 PRO A 77 5.021 -3.547 -11.013 1.00 41.31 H new ATOM 0 HD3 PRO A 77 5.938 -2.077 -10.749 1.00 41.31 H new TER 1077 PRO A 77