USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1076 hydrogens (28 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 86 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 90 GLN : amide:sc= -2.12! C(o=-2.1!,f=-7.4!) USER MOD Set 2.1: A 65 GLN : amide:sc= 0.112 X(o=0.064,f=-0.28) USER MOD Set 2.2: A 108 GLN : amide:sc= -0.0481 X(o=0.064,f=-0.28) USER MOD Set 3.1: A 57 CYS SG : rot 8:sc= 0.334 USER MOD Set 3.2: A 89 HIS : no HE2:sc= -0.176 K(o=0.16,f=-3.6!) USER MOD Set 4.1: A 29 TYR OH : rot 153:sc= 0.599 USER MOD Set 4.2: A 97 THR OG1 : rot 59:sc= 0.752 USER MOD Set 5.1: A 27 LYS NZ :NH3+ -154:sc= -0.174 (180deg=-1.25) USER MOD Set 5.2: A 33 HIS : no HD1:sc= -0.214 K(o=-0.39,f=-7.9!) USER MOD Single : A 6 SER OG : rot 180:sc=-0.00125 USER MOD Single : A 9 SER OG : rot 180:sc= -0.952 USER MOD Single : A 15 LYS NZ :NH3+ -149:sc=-0.00829 (180deg=-0.0546) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.286 K(o=0.29,f=-0.56) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -65:sc= 1.04 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 53 THR OG1 : rot -19:sc= 0.967! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.747 K(o=-0.75,f=-1.3) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00459 USER MOD Single : A 72 SER OG : rot 180:sc= 0.00354 USER MOD Single : A 77 SER OG : rot -143:sc= 0.0188 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.571 USER MOD Single : A 87 CYS SG : rot -36:sc= -0.447 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.131 K(o=-0.13,f=-0.85) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.028 X(o=-0.028,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.406 K(o=-0.41,f=-1.1) USER MOD Single : A 122 THR OG1 : rot -46:sc= 0.876 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot 45:sc= 0.0498 USER MOD Single : A 127 GLN : amide:sc= -0.053 K(o=-0.053,f=-1.1) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 131 ASN : amide:sc= -0.0944 X(o=-0.094,f=-0.47) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 PBU O2 : rot -150:sc= 0.062 USER MOD Single : A 300 PBU O3 : rot 180:sc= 0.0757 USER MOD Single : A 300 PBU O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -1.237 3.912 -7.220 1.00 13.00 N ATOM 2 CA GLY A 2 -0.524 3.949 -5.957 1.00 45.03 C ATOM 3 C GLY A 2 0.760 4.750 -6.040 1.00 44.44 C ATOM 4 O GLY A 2 1.463 4.706 -7.049 1.00 72.14 O ATOM 0 HA2 GLY A 2 -1.169 4.380 -5.192 1.00 45.03 H new ATOM 0 HA3 GLY A 2 -0.294 2.931 -5.643 1.00 45.03 H new ATOM 8 N ALA A 3 1.067 5.485 -4.975 1.00 3.21 N ATOM 9 CA ALA A 3 2.277 6.299 -4.932 1.00 54.11 C ATOM 10 C ALA A 3 3.235 5.801 -3.856 1.00 43.21 C ATOM 11 O ALA A 3 3.062 4.709 -3.313 1.00 33.04 O ATOM 12 CB ALA A 3 1.921 7.759 -4.691 1.00 51.24 C ATOM 0 H ALA A 3 0.495 5.533 -4.132 1.00 3.21 H new ATOM 0 HA ALA A 3 2.779 6.213 -5.896 1.00 54.11 H new ATOM 0 HB1 ALA A 3 2.833 8.356 -4.661 1.00 51.24 H new ATOM 0 HB2 ALA A 3 1.280 8.115 -5.498 1.00 51.24 H new ATOM 0 HB3 ALA A 3 1.394 7.853 -3.741 1.00 51.24 H new ATOM 18 N ARG A 4 4.247 6.607 -3.553 1.00 52.33 N ATOM 19 CA ARG A 4 5.235 6.247 -2.543 1.00 53.20 C ATOM 20 C ARG A 4 4.555 5.775 -1.261 1.00 51.02 C ATOM 21 O ARG A 4 4.546 4.584 -0.953 1.00 3.35 O ATOM 22 CB ARG A 4 6.145 7.439 -2.240 1.00 0.24 C ATOM 23 CG ARG A 4 7.326 7.560 -3.191 1.00 55.35 C ATOM 24 CD ARG A 4 7.080 8.619 -4.253 1.00 12.40 C ATOM 25 NE ARG A 4 8.294 8.938 -4.998 1.00 4.34 N ATOM 26 CZ ARG A 4 9.286 9.673 -4.508 1.00 5.21 C ATOM 27 NH1 ARG A 4 9.209 10.161 -3.277 1.00 14.42 N ATOM 28 NH2 ARG A 4 10.360 9.920 -5.248 1.00 15.24 N ATOM 0 H ARG A 4 4.404 7.514 -3.993 1.00 52.33 H new ATOM 0 HA ARG A 4 5.838 5.429 -2.937 1.00 53.20 H new ATOM 0 HB2 ARG A 4 5.557 8.356 -2.286 1.00 0.24 H new ATOM 0 HB3 ARG A 4 6.518 7.351 -1.220 1.00 0.24 H new ATOM 0 HG2 ARG A 4 8.224 7.811 -2.627 1.00 55.35 H new ATOM 0 HG3 ARG A 4 7.509 6.598 -3.670 1.00 55.35 H new ATOM 0 HD2 ARG A 4 6.312 8.269 -4.943 1.00 12.40 H new ATOM 0 HD3 ARG A 4 6.696 9.523 -3.781 1.00 12.40 H new ATOM 0 HE ARG A 4 8.386 8.577 -5.947 1.00 4.34 H new ATOM 0 HH11 ARG A 4 8.387 9.972 -2.704 1.00 14.42 H new ATOM 0 HH12 ARG A 4 9.972 10.725 -2.903 1.00 14.42 H new ATOM 0 HH21 ARG A 4 10.424 9.545 -6.194 1.00 15.24 H new ATOM 0 HH22 ARG A 4 11.121 10.485 -4.870 1.00 15.24 H new ATOM 42 N ALA A 5 3.985 6.717 -0.518 1.00 73.52 N ATOM 43 CA ALA A 5 3.301 6.399 0.729 1.00 42.31 C ATOM 44 C ALA A 5 2.452 7.572 1.205 1.00 52.15 C ATOM 45 O ALA A 5 2.818 8.732 1.017 1.00 74.14 O ATOM 46 CB ALA A 5 4.310 6.006 1.799 1.00 21.45 C ATOM 0 H ALA A 5 3.983 7.708 -0.758 1.00 73.52 H new ATOM 0 HA ALA A 5 2.636 5.555 0.545 1.00 42.31 H new ATOM 0 HB1 ALA A 5 3.785 5.771 2.725 1.00 21.45 H new ATOM 0 HB2 ALA A 5 4.870 5.132 1.467 1.00 21.45 H new ATOM 0 HB3 ALA A 5 4.998 6.834 1.972 1.00 21.45 H new ATOM 52 N SER A 6 1.316 7.263 1.823 1.00 4.13 N ATOM 53 CA SER A 6 0.413 8.292 2.322 1.00 71.00 C ATOM 54 C SER A 6 -0.147 9.127 1.174 1.00 71.42 C ATOM 55 O SER A 6 0.277 8.990 0.028 1.00 22.24 O ATOM 56 CB SER A 6 1.138 9.197 3.321 1.00 35.05 C ATOM 57 OG SER A 6 0.216 9.924 4.113 1.00 62.53 O ATOM 0 H SER A 6 1.000 6.308 1.990 1.00 4.13 H new ATOM 0 HA SER A 6 -0.417 7.798 2.827 1.00 71.00 H new ATOM 0 HB2 SER A 6 1.778 8.594 3.965 1.00 35.05 H new ATOM 0 HB3 SER A 6 1.787 9.890 2.785 1.00 35.05 H new ATOM 0 HG SER A 6 0.704 10.493 4.744 1.00 62.53 H new ATOM 63 N VAL A 7 -1.103 9.994 1.493 1.00 61.32 N ATOM 64 CA VAL A 7 -1.722 10.853 0.490 1.00 24.23 C ATOM 65 C VAL A 7 -0.873 12.092 0.229 1.00 4.43 C ATOM 66 O VAL A 7 -0.566 12.417 -0.920 1.00 62.14 O ATOM 67 CB VAL A 7 -3.133 11.293 0.921 1.00 21.23 C ATOM 68 CG1 VAL A 7 -3.753 12.202 -0.130 1.00 12.21 C ATOM 69 CG2 VAL A 7 -4.014 10.079 1.177 1.00 32.53 C ATOM 0 H VAL A 7 -1.466 10.120 2.438 1.00 61.32 H new ATOM 0 HA VAL A 7 -1.797 10.267 -0.426 1.00 24.23 H new ATOM 0 HB VAL A 7 -3.052 11.856 1.851 1.00 21.23 H new ATOM 0 HG11 VAL A 7 -4.750 12.503 0.192 1.00 12.21 H new ATOM 0 HG12 VAL A 7 -3.130 13.087 -0.258 1.00 12.21 H new ATOM 0 HG13 VAL A 7 -3.823 11.668 -1.077 1.00 12.21 H new ATOM 0 HG21 VAL A 7 -5.008 10.408 1.481 1.00 32.53 H new ATOM 0 HG22 VAL A 7 -4.091 9.486 0.265 1.00 32.53 H new ATOM 0 HG23 VAL A 7 -3.575 9.472 1.969 1.00 32.53 H new ATOM 79 N LEU A 8 -0.494 12.779 1.300 1.00 23.22 N ATOM 80 CA LEU A 8 0.322 13.984 1.187 1.00 54.21 C ATOM 81 C LEU A 8 1.687 13.780 1.837 1.00 21.32 C ATOM 82 O LEU A 8 1.786 13.251 2.945 1.00 10.01 O ATOM 83 CB LEU A 8 -0.393 15.170 1.837 1.00 20.30 C ATOM 84 CG LEU A 8 -1.871 15.338 1.485 1.00 42.30 C ATOM 85 CD1 LEU A 8 -2.421 16.622 2.086 1.00 40.02 C ATOM 86 CD2 LEU A 8 -2.065 15.328 -0.024 1.00 51.12 C ATOM 0 H LEU A 8 -0.738 12.523 2.257 1.00 23.22 H new ATOM 0 HA LEU A 8 0.472 14.194 0.128 1.00 54.21 H new ATOM 0 HB2 LEU A 8 -0.307 15.072 2.919 1.00 20.30 H new ATOM 0 HB3 LEU A 8 0.132 16.083 1.557 1.00 20.30 H new ATOM 0 HG LEU A 8 -2.422 14.498 1.908 1.00 42.30 H new ATOM 0 HD11 LEU A 8 -3.474 16.724 1.825 1.00 40.02 H new ATOM 0 HD12 LEU A 8 -2.318 16.589 3.171 1.00 40.02 H new ATOM 0 HD13 LEU A 8 -1.866 17.474 1.694 1.00 40.02 H new ATOM 0 HD21 LEU A 8 -3.123 15.449 -0.256 1.00 51.12 H new ATOM 0 HD22 LEU A 8 -1.500 16.147 -0.469 1.00 51.12 H new ATOM 0 HD23 LEU A 8 -1.710 14.381 -0.430 1.00 51.12 H new ATOM 98 N SER A 9 2.736 14.204 1.141 1.00 44.11 N ATOM 99 CA SER A 9 4.097 14.066 1.650 1.00 62.41 C ATOM 100 C SER A 9 4.360 15.063 2.775 1.00 15.00 C ATOM 101 O SER A 9 3.436 15.694 3.289 1.00 22.15 O ATOM 102 CB SER A 9 5.109 14.276 0.522 1.00 54.10 C ATOM 103 OG SER A 9 5.543 15.623 0.468 1.00 74.21 O ATOM 0 H SER A 9 2.671 14.646 0.224 1.00 44.11 H new ATOM 0 HA SER A 9 4.209 13.057 2.048 1.00 62.41 H new ATOM 0 HB2 SER A 9 5.967 13.621 0.673 1.00 54.10 H new ATOM 0 HB3 SER A 9 4.659 13.998 -0.431 1.00 54.10 H new ATOM 0 HG SER A 9 6.190 15.729 -0.260 1.00 74.21 H new ATOM 109 N GLY A 10 5.627 15.199 3.153 1.00 61.12 N ATOM 110 CA GLY A 10 5.990 16.120 4.215 1.00 15.23 C ATOM 111 C GLY A 10 5.645 17.557 3.878 1.00 43.32 C ATOM 112 O GLY A 10 4.830 18.182 4.556 1.00 11.54 O ATOM 0 H GLY A 10 6.409 14.688 2.743 1.00 61.12 H new ATOM 0 HA2 GLY A 10 5.477 15.832 5.133 1.00 15.23 H new ATOM 0 HA3 GLY A 10 7.060 16.042 4.410 1.00 15.23 H new ATOM 116 N GLY A 11 6.270 18.084 2.829 1.00 61.44 N ATOM 117 CA GLY A 11 6.013 19.453 2.424 1.00 75.24 C ATOM 118 C GLY A 11 4.546 19.708 2.135 1.00 44.32 C ATOM 119 O GLY A 11 4.012 20.759 2.486 1.00 23.05 O ATOM 0 H GLY A 11 6.949 17.587 2.253 1.00 61.44 H new ATOM 0 HA2 GLY A 11 6.348 20.130 3.210 1.00 75.24 H new ATOM 0 HA3 GLY A 11 6.600 19.682 1.535 1.00 75.24 H new ATOM 123 N GLU A 12 3.896 18.743 1.494 1.00 13.40 N ATOM 124 CA GLU A 12 2.483 18.869 1.156 1.00 22.34 C ATOM 125 C GLU A 12 1.624 18.916 2.416 1.00 64.33 C ATOM 126 O GLU A 12 0.706 19.730 2.526 1.00 2.13 O ATOM 127 CB GLU A 12 2.041 17.703 0.269 1.00 63.32 C ATOM 128 CG GLU A 12 3.019 17.384 -0.849 1.00 43.34 C ATOM 129 CD GLU A 12 2.427 16.462 -1.897 1.00 41.20 C ATOM 130 OE1 GLU A 12 2.317 15.248 -1.625 1.00 72.22 O ATOM 131 OE2 GLU A 12 2.075 16.954 -2.990 1.00 63.31 O ATOM 0 H GLU A 12 4.324 17.866 1.198 1.00 13.40 H new ATOM 0 HA GLU A 12 2.349 19.803 0.610 1.00 22.34 H new ATOM 0 HB2 GLU A 12 1.909 16.816 0.889 1.00 63.32 H new ATOM 0 HB3 GLU A 12 1.069 17.936 -0.166 1.00 63.32 H new ATOM 0 HG2 GLU A 12 3.336 18.312 -1.325 1.00 43.34 H new ATOM 0 HG3 GLU A 12 3.911 16.922 -0.426 1.00 43.34 H new ATOM 138 N LEU A 13 1.929 18.040 3.366 1.00 43.51 N ATOM 139 CA LEU A 13 1.186 17.980 4.621 1.00 32.45 C ATOM 140 C LEU A 13 1.061 19.366 5.245 1.00 52.45 C ATOM 141 O LEU A 13 -0.031 19.790 5.624 1.00 44.03 O ATOM 142 CB LEU A 13 1.874 17.027 5.599 1.00 43.14 C ATOM 143 CG LEU A 13 1.075 16.656 6.849 1.00 70.45 C ATOM 144 CD1 LEU A 13 -0.229 15.974 6.467 1.00 13.43 C ATOM 145 CD2 LEU A 13 1.900 15.763 7.764 1.00 13.33 C ATOM 0 H LEU A 13 2.686 17.361 3.292 1.00 43.51 H new ATOM 0 HA LEU A 13 0.185 17.607 4.405 1.00 32.45 H new ATOM 0 HB2 LEU A 13 2.124 16.109 5.066 1.00 43.14 H new ATOM 0 HB3 LEU A 13 2.815 17.479 5.914 1.00 43.14 H new ATOM 0 HG LEU A 13 0.836 17.572 7.389 1.00 70.45 H new ATOM 0 HD11 LEU A 13 -0.784 15.718 7.370 1.00 13.43 H new ATOM 0 HD12 LEU A 13 -0.826 16.649 5.854 1.00 13.43 H new ATOM 0 HD13 LEU A 13 -0.013 15.066 5.904 1.00 13.43 H new ATOM 0 HD21 LEU A 13 1.315 15.509 8.648 1.00 13.33 H new ATOM 0 HD22 LEU A 13 2.171 14.850 7.234 1.00 13.33 H new ATOM 0 HD23 LEU A 13 2.805 16.289 8.066 1.00 13.33 H new ATOM 157 N ASP A 14 2.185 20.066 5.347 1.00 51.13 N ATOM 158 CA ASP A 14 2.201 21.407 5.924 1.00 2.44 C ATOM 159 C ASP A 14 1.279 22.342 5.148 1.00 31.12 C ATOM 160 O ASP A 14 0.393 22.977 5.722 1.00 45.42 O ATOM 161 CB ASP A 14 3.625 21.963 5.931 1.00 62.33 C ATOM 162 CG ASP A 14 3.826 23.023 6.998 1.00 32.30 C ATOM 163 OD1 ASP A 14 3.136 22.958 8.036 1.00 54.34 O ATOM 164 OD2 ASP A 14 4.673 23.916 6.793 1.00 23.21 O ATOM 0 H ASP A 14 3.097 19.729 5.038 1.00 51.13 H new ATOM 0 HA ASP A 14 1.840 21.341 6.950 1.00 2.44 H new ATOM 0 HB2 ASP A 14 4.330 21.148 6.095 1.00 62.33 H new ATOM 0 HB3 ASP A 14 3.851 22.388 4.953 1.00 62.33 H new ATOM 169 N LYS A 15 1.494 22.425 3.839 1.00 52.35 N ATOM 170 CA LYS A 15 0.683 23.282 2.983 1.00 71.22 C ATOM 171 C LYS A 15 -0.798 22.947 3.122 1.00 71.05 C ATOM 172 O LYS A 15 -1.649 23.838 3.122 1.00 2.20 O ATOM 173 CB LYS A 15 1.114 23.135 1.522 1.00 64.31 C ATOM 174 CG LYS A 15 0.213 23.869 0.545 1.00 30.12 C ATOM 175 CD LYS A 15 1.017 24.552 -0.549 1.00 4.35 C ATOM 176 CE LYS A 15 1.584 25.882 -0.077 1.00 52.13 C ATOM 177 NZ LYS A 15 3.065 25.832 0.069 1.00 1.12 N ATOM 0 H LYS A 15 2.224 21.909 3.348 1.00 52.35 H new ATOM 0 HA LYS A 15 0.835 24.314 3.299 1.00 71.22 H new ATOM 0 HB2 LYS A 15 2.133 23.507 1.413 1.00 64.31 H new ATOM 0 HB3 LYS A 15 1.132 22.077 1.262 1.00 64.31 H new ATOM 0 HG2 LYS A 15 -0.489 23.166 0.097 1.00 30.12 H new ATOM 0 HG3 LYS A 15 -0.378 24.612 1.081 1.00 30.12 H new ATOM 0 HD2 LYS A 15 1.831 23.900 -0.865 1.00 4.35 H new ATOM 0 HD3 LYS A 15 0.383 24.714 -1.420 1.00 4.35 H new ATOM 0 HE2 LYS A 15 1.315 26.664 -0.787 1.00 52.13 H new ATOM 0 HE3 LYS A 15 1.134 26.150 0.879 1.00 52.13 H new ATOM 0 HZ1 LYS A 15 3.361 26.475 0.831 1.00 1.12 H new ATOM 0 HZ2 LYS A 15 3.358 24.862 0.302 1.00 1.12 H new ATOM 0 HZ3 LYS A 15 3.512 26.124 -0.823 1.00 1.12 H new ATOM 191 N TRP A 16 -1.099 21.660 3.244 1.00 52.30 N ATOM 192 CA TRP A 16 -2.478 21.207 3.387 1.00 34.45 C ATOM 193 C TRP A 16 -3.160 21.899 4.562 1.00 64.13 C ATOM 194 O TRP A 16 -4.274 22.404 4.435 1.00 50.11 O ATOM 195 CB TRP A 16 -2.522 19.690 3.576 1.00 75.02 C ATOM 196 CG TRP A 16 -3.881 19.177 3.950 1.00 71.21 C ATOM 197 CD1 TRP A 16 -4.302 18.807 5.196 1.00 32.10 C ATOM 198 CD2 TRP A 16 -4.993 18.977 3.073 1.00 10.22 C ATOM 199 NE1 TRP A 16 -5.610 18.389 5.145 1.00 2.53 N ATOM 200 CE2 TRP A 16 -6.057 18.484 3.854 1.00 34.24 C ATOM 201 CE3 TRP A 16 -5.196 19.168 1.703 1.00 0.01 C ATOM 202 CZ2 TRP A 16 -7.301 18.179 3.308 1.00 74.03 C ATOM 203 CZ3 TRP A 16 -6.431 18.865 1.163 1.00 40.00 C ATOM 204 CH2 TRP A 16 -7.471 18.375 1.965 1.00 34.33 C ATOM 0 H TRP A 16 -0.407 20.911 3.247 1.00 52.30 H new ATOM 0 HA TRP A 16 -3.016 21.467 2.475 1.00 34.45 H new ATOM 0 HB2 TRP A 16 -2.200 19.207 2.654 1.00 75.02 H new ATOM 0 HB3 TRP A 16 -1.809 19.407 4.350 1.00 75.02 H new ATOM 0 HD1 TRP A 16 -3.696 18.838 6.089 1.00 32.10 H new ATOM 0 HE1 TRP A 16 -6.159 18.061 5.940 1.00 2.53 H new ATOM 0 HE3 TRP A 16 -4.401 19.546 1.077 1.00 0.01 H new ATOM 0 HZ2 TRP A 16 -8.104 17.801 3.924 1.00 74.03 H new ATOM 0 HZ3 TRP A 16 -6.598 19.008 0.106 1.00 40.00 H new ATOM 0 HH2 TRP A 16 -8.425 18.148 1.514 1.00 34.33 H new ATOM 215 N GLU A 17 -2.482 21.917 5.706 1.00 30.42 N ATOM 216 CA GLU A 17 -3.024 22.547 6.904 1.00 71.33 C ATOM 217 C GLU A 17 -3.155 24.055 6.715 1.00 33.32 C ATOM 218 O GLU A 17 -3.852 24.730 7.473 1.00 64.14 O ATOM 219 CB GLU A 17 -2.133 22.250 8.112 1.00 4.41 C ATOM 220 CG GLU A 17 -2.225 20.812 8.598 1.00 20.52 C ATOM 221 CD GLU A 17 -1.552 20.606 9.941 1.00 23.42 C ATOM 222 OE1 GLU A 17 -1.430 21.589 10.701 1.00 2.02 O ATOM 223 OE2 GLU A 17 -1.147 19.461 10.231 1.00 54.51 O ATOM 0 H GLU A 17 -1.558 21.503 5.828 1.00 30.42 H new ATOM 0 HA GLU A 17 -4.016 22.133 7.082 1.00 71.33 H new ATOM 0 HB2 GLU A 17 -1.098 22.471 7.852 1.00 4.41 H new ATOM 0 HB3 GLU A 17 -2.407 22.919 8.928 1.00 4.41 H new ATOM 0 HG2 GLU A 17 -3.274 20.524 8.673 1.00 20.52 H new ATOM 0 HG3 GLU A 17 -1.766 20.153 7.861 1.00 20.52 H new ATOM 230 N LYS A 18 -2.480 24.578 5.697 1.00 51.20 N ATOM 231 CA LYS A 18 -2.519 26.006 5.405 1.00 32.04 C ATOM 232 C LYS A 18 -3.879 26.409 4.839 1.00 44.45 C ATOM 233 O LYS A 18 -4.617 27.173 5.461 1.00 13.44 O ATOM 234 CB LYS A 18 -1.414 26.376 4.414 1.00 4.13 C ATOM 235 CG LYS A 18 -0.632 27.617 4.809 1.00 13.32 C ATOM 236 CD LYS A 18 0.234 28.117 3.666 1.00 23.33 C ATOM 237 CE LYS A 18 0.530 29.604 3.799 1.00 52.32 C ATOM 238 NZ LYS A 18 1.697 29.860 4.687 1.00 3.52 N ATOM 0 H LYS A 18 -1.899 24.034 5.060 1.00 51.20 H new ATOM 0 HA LYS A 18 -2.358 26.546 6.338 1.00 32.04 H new ATOM 0 HB2 LYS A 18 -0.725 25.537 4.322 1.00 4.13 H new ATOM 0 HB3 LYS A 18 -1.857 26.534 3.431 1.00 4.13 H new ATOM 0 HG2 LYS A 18 -1.324 28.403 5.113 1.00 13.32 H new ATOM 0 HG3 LYS A 18 -0.004 27.393 5.672 1.00 13.32 H new ATOM 0 HD2 LYS A 18 1.170 27.559 3.647 1.00 23.33 H new ATOM 0 HD3 LYS A 18 -0.269 27.929 2.718 1.00 23.33 H new ATOM 0 HE2 LYS A 18 0.725 30.025 2.813 1.00 52.32 H new ATOM 0 HE3 LYS A 18 -0.347 30.115 4.196 1.00 52.32 H new ATOM 0 HZ1 LYS A 18 1.866 30.884 4.752 1.00 3.52 H new ATOM 0 HZ2 LYS A 18 1.501 29.481 5.635 1.00 3.52 H new ATOM 0 HZ3 LYS A 18 2.540 29.394 4.295 1.00 3.52 H new ATOM 252 N ILE A 19 -4.201 25.889 3.661 1.00 54.51 N ATOM 253 CA ILE A 19 -5.472 26.191 3.015 1.00 34.10 C ATOM 254 C ILE A 19 -6.628 26.099 4.005 1.00 31.52 C ATOM 255 O ILE A 19 -6.640 25.236 4.882 1.00 0.10 O ATOM 256 CB ILE A 19 -5.746 25.241 1.835 1.00 3.42 C ATOM 257 CG1 ILE A 19 -4.540 25.200 0.893 1.00 65.23 C ATOM 258 CG2 ILE A 19 -6.996 25.673 1.083 1.00 42.35 C ATOM 259 CD1 ILE A 19 -3.937 23.821 0.742 1.00 65.24 C ATOM 0 H ILE A 19 -3.599 25.256 3.134 1.00 54.51 H new ATOM 0 HA ILE A 19 -5.398 27.211 2.639 1.00 34.10 H new ATOM 0 HB ILE A 19 -5.911 24.238 2.229 1.00 3.42 H new ATOM 0 HG12 ILE A 19 -4.843 25.564 -0.088 1.00 65.23 H new ATOM 0 HG13 ILE A 19 -3.776 25.883 1.264 1.00 65.23 H new ATOM 0 HG21 ILE A 19 -7.175 24.991 0.252 1.00 42.35 H new ATOM 0 HG22 ILE A 19 -7.851 25.655 1.758 1.00 42.35 H new ATOM 0 HG23 ILE A 19 -6.859 26.684 0.699 1.00 42.35 H new ATOM 0 HD11 ILE A 19 -3.088 23.868 0.061 1.00 65.24 H new ATOM 0 HD12 ILE A 19 -3.602 23.462 1.715 1.00 65.24 H new ATOM 0 HD13 ILE A 19 -4.686 23.138 0.341 1.00 65.24 H new ATOM 271 N ARG A 20 -7.599 26.995 3.858 1.00 35.12 N ATOM 272 CA ARG A 20 -8.760 27.014 4.739 1.00 70.34 C ATOM 273 C ARG A 20 -10.010 26.540 4.002 1.00 72.13 C ATOM 274 O ARG A 20 -10.062 26.557 2.772 1.00 51.44 O ATOM 275 CB ARG A 20 -8.985 28.423 5.291 1.00 2.11 C ATOM 276 CG ARG A 20 -8.010 28.808 6.394 1.00 13.15 C ATOM 277 CD ARG A 20 -6.853 29.631 5.851 1.00 43.25 C ATOM 278 NE ARG A 20 -6.525 30.755 6.724 1.00 30.13 N ATOM 279 CZ ARG A 20 -7.285 31.838 6.844 1.00 62.22 C ATOM 280 NH1 ARG A 20 -8.410 31.943 6.151 1.00 63.34 N ATOM 281 NH2 ARG A 20 -6.919 32.820 7.659 1.00 2.13 N ATOM 0 H ARG A 20 -7.604 27.717 3.137 1.00 35.12 H new ATOM 0 HA ARG A 20 -8.567 26.333 5.568 1.00 70.34 H new ATOM 0 HB2 ARG A 20 -8.900 29.141 4.476 1.00 2.11 H new ATOM 0 HB3 ARG A 20 -10.002 28.495 5.675 1.00 2.11 H new ATOM 0 HG2 ARG A 20 -8.534 29.377 7.162 1.00 13.15 H new ATOM 0 HG3 ARG A 20 -7.625 27.907 6.872 1.00 13.15 H new ATOM 0 HD2 ARG A 20 -5.977 28.993 5.736 1.00 43.25 H new ATOM 0 HD3 ARG A 20 -7.108 30.004 4.859 1.00 43.25 H new ATOM 0 HE ARG A 20 -5.666 30.706 7.271 1.00 30.13 H new ATOM 0 HH11 ARG A 20 -8.694 31.191 5.523 1.00 63.34 H new ATOM 0 HH12 ARG A 20 -8.991 32.776 6.245 1.00 63.34 H new ATOM 0 HH21 ARG A 20 -6.054 32.743 8.194 1.00 2.13 H new ATOM 0 HH22 ARG A 20 -7.503 33.651 7.751 1.00 2.13 H new ATOM 295 N LEU A 21 -11.014 26.119 4.763 1.00 33.12 N ATOM 296 CA LEU A 21 -12.264 25.640 4.183 1.00 63.12 C ATOM 297 C LEU A 21 -13.046 26.786 3.551 1.00 72.23 C ATOM 298 O LEU A 21 -13.646 26.631 2.488 1.00 0.44 O ATOM 299 CB LEU A 21 -13.116 24.954 5.252 1.00 70.04 C ATOM 300 CG LEU A 21 -12.519 23.695 5.881 1.00 43.10 C ATOM 301 CD1 LEU A 21 -13.342 23.255 7.082 1.00 22.42 C ATOM 302 CD2 LEU A 21 -12.433 22.576 4.853 1.00 4.44 C ATOM 0 H LEU A 21 -10.987 26.100 5.782 1.00 33.12 H new ATOM 0 HA LEU A 21 -12.020 24.918 3.403 1.00 63.12 H new ATOM 0 HB2 LEU A 21 -13.315 25.673 6.046 1.00 70.04 H new ATOM 0 HB3 LEU A 21 -14.078 24.694 4.810 1.00 70.04 H new ATOM 0 HG LEU A 21 -11.510 23.927 6.224 1.00 43.10 H new ATOM 0 HD11 LEU A 21 -12.901 22.357 7.516 1.00 22.42 H new ATOM 0 HD12 LEU A 21 -13.353 24.051 7.827 1.00 22.42 H new ATOM 0 HD13 LEU A 21 -14.363 23.041 6.765 1.00 22.42 H new ATOM 0 HD21 LEU A 21 -12.006 21.687 5.317 1.00 4.44 H new ATOM 0 HD22 LEU A 21 -13.431 22.347 4.481 1.00 4.44 H new ATOM 0 HD23 LEU A 21 -11.800 22.892 4.024 1.00 4.44 H new ATOM 314 N ARG A 22 -13.034 27.939 4.213 1.00 35.24 N ATOM 315 CA ARG A 22 -13.741 29.113 3.716 1.00 33.04 C ATOM 316 C ARG A 22 -12.790 30.296 3.559 1.00 2.54 C ATOM 317 O ARG A 22 -11.718 30.345 4.162 1.00 65.21 O ATOM 318 CB ARG A 22 -14.884 29.486 4.663 1.00 45.31 C ATOM 319 CG ARG A 22 -16.247 29.005 4.193 1.00 4.33 C ATOM 320 CD ARG A 22 -17.348 29.973 4.593 1.00 21.22 C ATOM 321 NE ARG A 22 -17.555 30.001 6.039 1.00 3.33 N ATOM 322 CZ ARG A 22 -18.551 30.653 6.626 1.00 42.22 C ATOM 323 NH1 ARG A 22 -19.429 31.327 5.897 1.00 11.05 N ATOM 324 NH2 ARG A 22 -18.672 30.630 7.948 1.00 0.25 N ATOM 0 H ARG A 22 -12.542 28.085 5.095 1.00 35.24 H new ATOM 0 HA ARG A 22 -14.154 28.869 2.737 1.00 33.04 H new ATOM 0 HB2 ARG A 22 -14.680 29.066 5.648 1.00 45.31 H new ATOM 0 HB3 ARG A 22 -14.910 30.570 4.778 1.00 45.31 H new ATOM 0 HG2 ARG A 22 -16.239 28.889 3.109 1.00 4.33 H new ATOM 0 HG3 ARG A 22 -16.453 28.022 4.617 1.00 4.33 H new ATOM 0 HD2 ARG A 22 -17.095 30.974 4.244 1.00 21.22 H new ATOM 0 HD3 ARG A 22 -18.277 29.689 4.099 1.00 21.22 H new ATOM 0 HE ARG A 22 -16.898 29.491 6.630 1.00 3.33 H new ATOM 0 HH11 ARG A 22 -19.341 31.346 4.881 1.00 11.05 H new ATOM 0 HH12 ARG A 22 -20.193 31.827 6.352 1.00 11.05 H new ATOM 0 HH21 ARG A 22 -17.999 30.111 8.513 1.00 0.25 H new ATOM 0 HH22 ARG A 22 -19.437 31.131 8.399 1.00 0.25 H new ATOM 338 N PRO A 23 -13.190 31.271 2.730 1.00 53.31 N ATOM 339 CA PRO A 23 -12.387 32.471 2.475 1.00 13.21 C ATOM 340 C PRO A 23 -12.322 33.394 3.687 1.00 12.15 C ATOM 341 O PRO A 23 -11.268 33.938 4.009 1.00 64.42 O ATOM 342 CB PRO A 23 -13.127 33.154 1.322 1.00 15.32 C ATOM 343 CG PRO A 23 -14.535 32.681 1.442 1.00 10.31 C ATOM 344 CD PRO A 23 -14.456 31.278 1.979 1.00 15.04 C ATOM 0 HA PRO A 23 -11.349 32.226 2.249 1.00 13.21 H new ATOM 0 HB2 PRO A 23 -13.066 34.239 1.400 1.00 15.32 H new ATOM 0 HB3 PRO A 23 -12.698 32.879 0.358 1.00 15.32 H new ATOM 0 HG2 PRO A 23 -15.107 33.324 2.112 1.00 10.31 H new ATOM 0 HG3 PRO A 23 -15.037 32.701 0.475 1.00 10.31 H new ATOM 0 HD2 PRO A 23 -15.305 31.045 2.621 1.00 15.04 H new ATOM 0 HD3 PRO A 23 -14.451 30.540 1.177 1.00 15.04 H new ATOM 352 N GLY A 24 -13.459 33.565 4.356 1.00 44.14 N ATOM 353 CA GLY A 24 -13.508 34.422 5.526 1.00 33.25 C ATOM 354 C GLY A 24 -13.680 33.639 6.812 1.00 45.12 C ATOM 355 O GLY A 24 -14.309 34.113 7.757 1.00 11.13 O ATOM 0 H GLY A 24 -14.346 33.126 4.109 1.00 44.14 H new ATOM 0 HA2 GLY A 24 -12.591 35.009 5.581 1.00 33.25 H new ATOM 0 HA3 GLY A 24 -14.332 35.128 5.421 1.00 33.25 H new ATOM 359 N GLY A 25 -13.118 32.434 6.849 1.00 33.43 N ATOM 360 CA GLY A 25 -13.225 31.602 8.032 1.00 70.04 C ATOM 361 C GLY A 25 -11.912 31.489 8.783 1.00 33.22 C ATOM 362 O GLY A 25 -10.917 32.106 8.403 1.00 44.10 O ATOM 0 H GLY A 25 -12.591 32.020 6.080 1.00 33.43 H new ATOM 0 HA2 GLY A 25 -13.985 32.015 8.695 1.00 70.04 H new ATOM 0 HA3 GLY A 25 -13.561 30.606 7.743 1.00 70.04 H new ATOM 366 N LYS A 26 -11.909 30.699 9.851 1.00 73.24 N ATOM 367 CA LYS A 26 -10.710 30.508 10.657 1.00 52.43 C ATOM 368 C LYS A 26 -10.362 29.026 10.771 1.00 33.31 C ATOM 369 O LYS A 26 -9.348 28.660 11.364 1.00 24.10 O ATOM 370 CB LYS A 26 -10.907 31.105 12.053 1.00 4.42 C ATOM 371 CG LYS A 26 -11.031 32.618 12.055 1.00 43.21 C ATOM 372 CD LYS A 26 -11.620 33.127 13.360 1.00 35.44 C ATOM 373 CE LYS A 26 -11.755 34.643 13.355 1.00 72.24 C ATOM 374 NZ LYS A 26 -10.444 35.317 13.570 1.00 73.24 N ATOM 0 H LYS A 26 -12.724 30.181 10.178 1.00 73.24 H new ATOM 0 HA LYS A 26 -9.885 31.021 10.163 1.00 52.43 H new ATOM 0 HB2 LYS A 26 -11.803 30.675 12.500 1.00 4.42 H new ATOM 0 HB3 LYS A 26 -10.066 30.817 12.684 1.00 4.42 H new ATOM 0 HG2 LYS A 26 -10.049 33.065 11.899 1.00 43.21 H new ATOM 0 HG3 LYS A 26 -11.660 32.934 11.223 1.00 43.21 H new ATOM 0 HD2 LYS A 26 -12.598 32.674 13.521 1.00 35.44 H new ATOM 0 HD3 LYS A 26 -10.986 32.820 14.191 1.00 35.44 H new ATOM 0 HE2 LYS A 26 -12.178 34.967 12.404 1.00 72.24 H new ATOM 0 HE3 LYS A 26 -12.453 34.948 14.135 1.00 72.24 H new ATOM 0 HZ1 LYS A 26 -10.578 36.348 13.560 1.00 73.24 H new ATOM 0 HZ2 LYS A 26 -10.052 35.028 14.489 1.00 73.24 H new ATOM 0 HZ3 LYS A 26 -9.786 35.046 12.812 1.00 73.24 H new ATOM 388 N LYS A 27 -11.210 28.179 10.198 1.00 50.12 N ATOM 389 CA LYS A 27 -10.992 26.738 10.232 1.00 42.55 C ATOM 390 C LYS A 27 -10.138 26.289 9.051 1.00 21.02 C ATOM 391 O LYS A 27 -10.552 26.399 7.898 1.00 10.44 O ATOM 392 CB LYS A 27 -12.332 25.998 10.217 1.00 0.00 C ATOM 393 CG LYS A 27 -12.297 24.661 10.937 1.00 41.31 C ATOM 394 CD LYS A 27 -13.222 23.650 10.281 1.00 11.40 C ATOM 395 CE LYS A 27 -14.012 22.865 11.316 1.00 52.54 C ATOM 396 NZ LYS A 27 -14.163 21.434 10.930 1.00 60.15 N ATOM 0 H LYS A 27 -12.055 28.466 9.704 1.00 50.12 H new ATOM 0 HA LYS A 27 -10.462 26.498 11.153 1.00 42.55 H new ATOM 0 HB2 LYS A 27 -13.091 26.630 10.678 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.637 25.836 9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.278 24.275 10.940 1.00 41.31 H new ATOM 0 HG3 LYS A 27 -12.588 24.800 11.978 1.00 41.31 H new ATOM 0 HD2 LYS A 27 -13.910 24.166 9.611 1.00 11.40 H new ATOM 0 HD3 LYS A 27 -12.637 22.963 9.670 1.00 11.40 H new ATOM 0 HE2 LYS A 27 -13.510 22.930 12.282 1.00 52.54 H new ATOM 0 HE3 LYS A 27 -14.998 23.314 11.438 1.00 52.54 H new ATOM 0 HZ1 LYS A 27 -15.020 21.044 11.371 1.00 60.15 H new ATOM 0 HZ2 LYS A 27 -14.241 21.360 9.896 1.00 60.15 H new ATOM 0 HZ3 LYS A 27 -13.333 20.898 11.254 1.00 60.15 H new ATOM 410 N GLN A 28 -8.945 25.782 9.347 1.00 51.45 N ATOM 411 CA GLN A 28 -8.034 25.316 8.309 1.00 1.40 C ATOM 412 C GLN A 28 -8.297 23.853 7.971 1.00 14.54 C ATOM 413 O GLN A 28 -9.216 23.235 8.511 1.00 21.11 O ATOM 414 CB GLN A 28 -6.582 25.495 8.756 1.00 54.11 C ATOM 415 CG GLN A 28 -6.331 26.800 9.494 1.00 4.13 C ATOM 416 CD GLN A 28 -6.154 26.602 10.986 1.00 65.21 C ATOM 417 OE1 GLN A 28 -5.470 25.677 11.425 1.00 53.50 O ATOM 418 NE2 GLN A 28 -6.769 27.473 11.776 1.00 51.05 N ATOM 0 H GLN A 28 -8.587 25.684 10.297 1.00 51.45 H new ATOM 0 HA GLN A 28 -8.207 25.914 7.414 1.00 1.40 H new ATOM 0 HB2 GLN A 28 -6.304 24.662 9.402 1.00 54.11 H new ATOM 0 HB3 GLN A 28 -5.933 25.451 7.881 1.00 54.11 H new ATOM 0 HG2 GLN A 28 -5.440 27.278 9.087 1.00 4.13 H new ATOM 0 HG3 GLN A 28 -7.165 27.479 9.318 1.00 4.13 H new ATOM 0 HE21 GLN A 28 -7.326 28.225 11.370 1.00 51.05 H new ATOM 0 HE22 GLN A 28 -6.685 27.391 12.789 1.00 51.05 H new ATOM 427 N TYR A 29 -7.487 23.302 7.073 1.00 24.45 N ATOM 428 CA TYR A 29 -7.634 21.912 6.660 1.00 11.11 C ATOM 429 C TYR A 29 -6.849 20.984 7.582 1.00 43.11 C ATOM 430 O TYR A 29 -5.769 21.333 8.061 1.00 73.01 O ATOM 431 CB TYR A 29 -7.162 21.734 5.216 1.00 63.04 C ATOM 432 CG TYR A 29 -8.278 21.819 4.199 1.00 45.31 C ATOM 433 CD1 TYR A 29 -9.218 20.802 4.086 1.00 12.50 C ATOM 434 CD2 TYR A 29 -8.391 22.913 3.352 1.00 22.10 C ATOM 435 CE1 TYR A 29 -10.239 20.874 3.157 1.00 44.13 C ATOM 436 CE2 TYR A 29 -9.408 22.995 2.421 1.00 54.44 C ATOM 437 CZ TYR A 29 -10.331 21.973 2.328 1.00 44.21 C ATOM 438 OH TYR A 29 -11.345 22.049 1.402 1.00 70.43 O ATOM 0 H TYR A 29 -6.721 23.798 6.617 1.00 24.45 H new ATOM 0 HA TYR A 29 -8.690 21.650 6.724 1.00 11.11 H new ATOM 0 HB2 TYR A 29 -6.417 22.497 4.990 1.00 63.04 H new ATOM 0 HB3 TYR A 29 -6.668 20.767 5.121 1.00 63.04 H new ATOM 0 HD1 TYR A 29 -9.150 19.941 4.735 1.00 12.50 H new ATOM 0 HD2 TYR A 29 -7.671 23.715 3.422 1.00 22.10 H new ATOM 0 HE1 TYR A 29 -10.961 20.074 3.080 1.00 44.13 H new ATOM 0 HE2 TYR A 29 -9.481 23.854 1.770 1.00 54.44 H new ATOM 0 HH TYR A 29 -11.547 22.989 1.214 1.00 70.43 H new ATOM 448 N LYS A 30 -7.399 19.799 7.827 1.00 72.42 N ATOM 449 CA LYS A 30 -6.752 18.818 8.690 1.00 22.45 C ATOM 450 C LYS A 30 -6.890 17.413 8.114 1.00 31.12 C ATOM 451 O LYS A 30 -7.661 17.186 7.179 1.00 62.45 O ATOM 452 CB LYS A 30 -7.356 18.867 10.095 1.00 63.33 C ATOM 453 CG LYS A 30 -6.507 19.634 11.095 1.00 44.22 C ATOM 454 CD LYS A 30 -7.364 20.463 12.036 1.00 13.42 C ATOM 455 CE LYS A 30 -6.877 20.358 13.473 1.00 30.22 C ATOM 456 NZ LYS A 30 -7.981 20.572 14.449 1.00 43.15 N ATOM 0 H LYS A 30 -8.292 19.495 7.439 1.00 72.42 H new ATOM 0 HA LYS A 30 -5.692 19.065 8.749 1.00 22.45 H new ATOM 0 HB2 LYS A 30 -8.343 19.326 10.041 1.00 63.33 H new ATOM 0 HB3 LYS A 30 -7.497 17.848 10.457 1.00 63.33 H new ATOM 0 HG2 LYS A 30 -5.903 18.934 11.673 1.00 44.22 H new ATOM 0 HG3 LYS A 30 -5.816 20.286 10.562 1.00 44.22 H new ATOM 0 HD2 LYS A 30 -7.348 21.506 11.721 1.00 13.42 H new ATOM 0 HD3 LYS A 30 -8.400 20.128 11.976 1.00 13.42 H new ATOM 0 HE2 LYS A 30 -6.434 19.376 13.636 1.00 30.22 H new ATOM 0 HE3 LYS A 30 -6.092 21.094 13.645 1.00 30.22 H new ATOM 0 HZ1 LYS A 30 -7.609 20.493 15.417 1.00 43.15 H new ATOM 0 HZ2 LYS A 30 -8.388 21.519 14.311 1.00 43.15 H new ATOM 0 HZ3 LYS A 30 -8.719 19.854 14.302 1.00 43.15 H new ATOM 470 N LEU A 31 -6.142 16.471 8.678 1.00 22.13 N ATOM 471 CA LEU A 31 -6.183 15.086 8.222 1.00 41.22 C ATOM 472 C LEU A 31 -7.621 14.582 8.139 1.00 44.35 C ATOM 473 O LEU A 31 -7.979 13.841 7.224 1.00 51.25 O ATOM 474 CB LEU A 31 -5.370 14.195 9.163 1.00 15.12 C ATOM 475 CG LEU A 31 -3.861 14.434 9.177 1.00 42.02 C ATOM 476 CD1 LEU A 31 -3.321 14.354 10.597 1.00 22.41 C ATOM 477 CD2 LEU A 31 -3.153 13.431 8.278 1.00 43.02 C ATOM 0 H LEU A 31 -5.500 16.641 9.452 1.00 22.13 H new ATOM 0 HA LEU A 31 -5.746 15.044 7.224 1.00 41.22 H new ATOM 0 HB2 LEU A 31 -5.748 14.330 10.176 1.00 15.12 H new ATOM 0 HB3 LEU A 31 -5.550 13.155 8.892 1.00 15.12 H new ATOM 0 HG LEU A 31 -3.668 15.435 8.792 1.00 42.02 H new ATOM 0 HD11 LEU A 31 -2.245 14.527 10.587 1.00 22.41 H new ATOM 0 HD12 LEU A 31 -3.805 15.112 11.213 1.00 22.41 H new ATOM 0 HD13 LEU A 31 -3.526 13.366 11.009 1.00 22.41 H new ATOM 0 HD21 LEU A 31 -2.079 13.617 8.301 1.00 43.02 H new ATOM 0 HD22 LEU A 31 -3.354 12.420 8.632 1.00 43.02 H new ATOM 0 HD23 LEU A 31 -3.518 13.537 7.256 1.00 43.02 H new ATOM 489 N LYS A 32 -8.441 14.990 9.102 1.00 61.41 N ATOM 490 CA LYS A 32 -9.840 14.583 9.138 1.00 72.44 C ATOM 491 C LYS A 32 -10.491 14.751 7.769 1.00 50.32 C ATOM 492 O LYS A 32 -11.110 13.822 7.247 1.00 70.41 O ATOM 493 CB LYS A 32 -10.604 15.403 10.181 1.00 33.41 C ATOM 494 CG LYS A 32 -11.088 14.582 11.364 1.00 24.11 C ATOM 495 CD LYS A 32 -9.960 14.293 12.341 1.00 12.14 C ATOM 496 CE LYS A 32 -9.664 15.495 13.223 1.00 52.11 C ATOM 497 NZ LYS A 32 -10.439 15.455 14.494 1.00 11.44 N ATOM 0 H LYS A 32 -8.160 15.602 9.868 1.00 61.41 H new ATOM 0 HA LYS A 32 -9.879 13.529 9.413 1.00 72.44 H new ATOM 0 HB2 LYS A 32 -9.960 16.204 10.544 1.00 33.41 H new ATOM 0 HB3 LYS A 32 -11.462 15.876 9.702 1.00 33.41 H new ATOM 0 HG2 LYS A 32 -11.887 15.117 11.877 1.00 24.11 H new ATOM 0 HG3 LYS A 32 -11.511 13.643 11.008 1.00 24.11 H new ATOM 0 HD2 LYS A 32 -10.227 13.440 12.965 1.00 12.14 H new ATOM 0 HD3 LYS A 32 -9.062 14.015 11.789 1.00 12.14 H new ATOM 0 HE2 LYS A 32 -8.598 15.526 13.449 1.00 52.11 H new ATOM 0 HE3 LYS A 32 -9.902 16.410 12.681 1.00 52.11 H new ATOM 0 HZ1 LYS A 32 -10.209 16.292 15.067 1.00 11.44 H new ATOM 0 HZ2 LYS A 32 -11.457 15.451 14.280 1.00 11.44 H new ATOM 0 HZ3 LYS A 32 -10.193 14.594 15.024 1.00 11.44 H new ATOM 511 N HIS A 33 -10.346 15.938 7.190 1.00 60.55 N ATOM 512 CA HIS A 33 -10.918 16.227 5.880 1.00 43.51 C ATOM 513 C HIS A 33 -10.375 15.264 4.828 1.00 32.33 C ATOM 514 O HIS A 33 -11.128 14.952 3.905 1.00 25.55 O ATOM 515 CB HIS A 33 -10.614 17.669 5.472 1.00 55.12 C ATOM 516 CG HIS A 33 -10.985 18.677 6.516 1.00 72.04 C ATOM 517 ND1 HIS A 33 -10.117 19.648 6.969 1.00 40.32 N ATOM 518 CD2 HIS A 33 -12.141 18.862 7.198 1.00 31.11 C ATOM 519 CE1 HIS A 33 -10.722 20.385 7.883 1.00 31.10 C ATOM 520 NE2 HIS A 33 -11.952 19.929 8.039 1.00 42.53 N ATOM 0 H HIS A 33 -9.837 16.717 7.608 1.00 60.55 H new ATOM 0 HA HIS A 33 -11.998 16.097 5.946 1.00 43.51 H new ATOM 0 HB2 HIS A 33 -9.550 17.759 5.253 1.00 55.12 H new ATOM 0 HB3 HIS A 33 -11.150 17.898 4.551 1.00 55.12 H new ATOM 0 HD2 HIS A 33 -13.044 18.278 7.098 1.00 31.11 H new ATOM 0 HE1 HIS A 33 -10.285 21.219 8.413 1.00 31.10 H new ATOM 0 HE2 HIS A 33 -12.648 20.309 8.681 1.00 42.53 H new ATOM 528 N ILE A 34 -9.133 14.803 4.937 1.00 14.41 N ATOM 529 CA ILE A 34 -8.573 13.880 3.958 1.00 32.04 C ATOM 530 C ILE A 34 -9.158 12.481 4.121 1.00 23.35 C ATOM 531 O ILE A 34 -9.909 12.007 3.269 1.00 21.40 O ATOM 532 CB ILE A 34 -7.039 13.800 4.073 1.00 32.51 C ATOM 533 CG1 ILE A 34 -6.430 15.204 4.049 1.00 52.45 C ATOM 534 CG2 ILE A 34 -6.467 12.950 2.949 1.00 32.11 C ATOM 535 CD1 ILE A 34 -4.940 15.220 4.309 1.00 10.43 C ATOM 0 H ILE A 34 -8.496 15.054 5.693 1.00 14.41 H new ATOM 0 HA ILE A 34 -8.836 14.267 2.974 1.00 32.04 H new ATOM 0 HB ILE A 34 -6.785 13.330 5.023 1.00 32.51 H new ATOM 0 HG12 ILE A 34 -6.626 15.660 3.079 1.00 52.45 H new ATOM 0 HG13 ILE A 34 -6.928 15.820 4.797 1.00 52.45 H new ATOM 0 HG21 ILE A 34 -5.382 12.903 3.044 1.00 32.11 H new ATOM 0 HG22 ILE A 34 -6.880 11.943 3.008 1.00 32.11 H new ATOM 0 HG23 ILE A 34 -6.728 13.394 1.988 1.00 32.11 H new ATOM 0 HD11 ILE A 34 -4.576 16.247 4.277 1.00 10.43 H new ATOM 0 HD12 ILE A 34 -4.737 14.794 5.291 1.00 10.43 H new ATOM 0 HD13 ILE A 34 -4.431 14.631 3.546 1.00 10.43 H new ATOM 547 N VAL A 35 -8.809 11.826 5.223 1.00 2.51 N ATOM 548 CA VAL A 35 -9.302 10.481 5.500 1.00 64.24 C ATOM 549 C VAL A 35 -10.806 10.390 5.272 1.00 50.43 C ATOM 550 O VAL A 35 -11.316 9.357 4.838 1.00 5.13 O ATOM 551 CB VAL A 35 -8.986 10.056 6.946 1.00 50.44 C ATOM 552 CG1 VAL A 35 -9.546 8.670 7.230 1.00 32.32 C ATOM 553 CG2 VAL A 35 -7.486 10.095 7.198 1.00 23.02 C ATOM 0 H VAL A 35 -8.188 12.204 5.938 1.00 2.51 H new ATOM 0 HA VAL A 35 -8.792 9.808 4.811 1.00 64.24 H new ATOM 0 HB VAL A 35 -9.464 10.762 7.626 1.00 50.44 H new ATOM 0 HG11 VAL A 35 -9.313 8.387 8.256 1.00 32.32 H new ATOM 0 HG12 VAL A 35 -10.627 8.679 7.093 1.00 32.32 H new ATOM 0 HG13 VAL A 35 -9.100 7.950 6.545 1.00 32.32 H new ATOM 0 HG21 VAL A 35 -7.282 9.792 8.225 1.00 23.02 H new ATOM 0 HG22 VAL A 35 -6.984 9.413 6.511 1.00 23.02 H new ATOM 0 HG23 VAL A 35 -7.116 11.108 7.039 1.00 23.02 H new ATOM 563 N TRP A 36 -11.510 11.475 5.568 1.00 13.01 N ATOM 564 CA TRP A 36 -12.958 11.517 5.394 1.00 42.14 C ATOM 565 C TRP A 36 -13.344 11.189 3.956 1.00 63.10 C ATOM 566 O TRP A 36 -14.074 10.232 3.702 1.00 11.21 O ATOM 567 CB TRP A 36 -13.499 12.895 5.778 1.00 64.51 C ATOM 568 CG TRP A 36 -14.979 13.027 5.587 1.00 14.41 C ATOM 569 CD1 TRP A 36 -15.954 12.738 6.500 1.00 22.34 C ATOM 570 CD2 TRP A 36 -15.653 13.479 4.408 1.00 15.44 C ATOM 571 NE1 TRP A 36 -17.193 12.984 5.959 1.00 42.24 N ATOM 572 CE2 TRP A 36 -17.036 13.440 4.677 1.00 41.01 C ATOM 573 CE3 TRP A 36 -15.224 13.915 3.151 1.00 15.10 C ATOM 574 CZ2 TRP A 36 -17.989 13.819 3.735 1.00 3.42 C ATOM 575 CZ3 TRP A 36 -16.171 14.290 2.217 1.00 13.25 C ATOM 576 CH2 TRP A 36 -17.540 14.242 2.513 1.00 12.50 C ATOM 0 H TRP A 36 -11.103 12.338 5.930 1.00 13.01 H new ATOM 0 HA TRP A 36 -13.399 10.766 6.049 1.00 42.14 H new ATOM 0 HB2 TRP A 36 -13.255 13.095 6.821 1.00 64.51 H new ATOM 0 HB3 TRP A 36 -12.994 13.655 5.182 1.00 64.51 H new ATOM 0 HD1 TRP A 36 -15.777 12.370 7.500 1.00 22.34 H new ATOM 0 HE1 TRP A 36 -18.085 12.849 6.435 1.00 42.24 H new ATOM 0 HE3 TRP A 36 -14.171 13.958 2.914 1.00 15.10 H new ATOM 0 HZ2 TRP A 36 -19.045 13.781 3.960 1.00 3.42 H new ATOM 0 HZ3 TRP A 36 -15.850 14.626 1.242 1.00 13.25 H new ATOM 0 HH2 TRP A 36 -18.255 14.545 1.762 1.00 12.50 H new ATOM 587 N ALA A 37 -12.848 11.989 3.018 1.00 31.54 N ATOM 588 CA ALA A 37 -13.139 11.782 1.604 1.00 60.54 C ATOM 589 C ALA A 37 -12.661 10.411 1.141 1.00 73.11 C ATOM 590 O ALA A 37 -13.317 9.754 0.333 1.00 34.42 O ATOM 591 CB ALA A 37 -12.496 12.879 0.767 1.00 11.11 C ATOM 0 H ALA A 37 -12.243 12.787 3.211 1.00 31.54 H new ATOM 0 HA ALA A 37 -14.220 11.825 1.470 1.00 60.54 H new ATOM 0 HB1 ALA A 37 -12.721 12.712 -0.286 1.00 11.11 H new ATOM 0 HB2 ALA A 37 -12.890 13.848 1.073 1.00 11.11 H new ATOM 0 HB3 ALA A 37 -11.416 12.863 0.914 1.00 11.11 H new ATOM 597 N SER A 38 -11.513 9.984 1.657 1.00 53.41 N ATOM 598 CA SER A 38 -10.944 8.692 1.292 1.00 55.53 C ATOM 599 C SER A 38 -11.893 7.556 1.663 1.00 35.12 C ATOM 600 O SER A 38 -11.906 6.507 1.019 1.00 20.41 O ATOM 601 CB SER A 38 -9.596 8.490 1.984 1.00 44.42 C ATOM 602 OG SER A 38 -9.741 7.734 3.174 1.00 70.23 O ATOM 0 H SER A 38 -10.959 10.514 2.329 1.00 53.41 H new ATOM 0 HA SER A 38 -10.795 8.681 0.212 1.00 55.53 H new ATOM 0 HB2 SER A 38 -8.909 7.981 1.308 1.00 44.42 H new ATOM 0 HB3 SER A 38 -9.154 9.459 2.217 1.00 44.42 H new ATOM 0 HG SER A 38 -10.270 8.243 3.823 1.00 70.23 H new ATOM 608 N ARG A 39 -12.689 7.774 2.706 1.00 23.31 N ATOM 609 CA ARG A 39 -13.640 6.770 3.164 1.00 60.13 C ATOM 610 C ARG A 39 -14.944 6.855 2.375 1.00 24.21 C ATOM 611 O ARG A 39 -15.690 5.881 2.284 1.00 21.01 O ATOM 612 CB ARG A 39 -13.924 6.950 4.657 1.00 44.23 C ATOM 613 CG ARG A 39 -13.179 5.963 5.541 1.00 60.21 C ATOM 614 CD ARG A 39 -14.001 4.709 5.793 1.00 40.31 C ATOM 615 NE ARG A 39 -14.374 4.573 7.199 1.00 51.10 N ATOM 616 CZ ARG A 39 -15.034 3.527 7.686 1.00 73.41 C ATOM 617 NH1 ARG A 39 -15.391 2.533 6.885 1.00 72.15 N ATOM 618 NH2 ARG A 39 -15.337 3.476 8.977 1.00 12.14 N ATOM 0 H ARG A 39 -12.693 8.637 3.249 1.00 23.31 H new ATOM 0 HA ARG A 39 -13.199 5.787 3.000 1.00 60.13 H new ATOM 0 HB2 ARG A 39 -13.653 7.964 4.950 1.00 44.23 H new ATOM 0 HB3 ARG A 39 -14.995 6.844 4.830 1.00 44.23 H new ATOM 0 HG2 ARG A 39 -12.235 5.691 5.069 1.00 60.21 H new ATOM 0 HG3 ARG A 39 -12.936 6.437 6.492 1.00 60.21 H new ATOM 0 HD2 ARG A 39 -14.902 4.737 5.180 1.00 40.31 H new ATOM 0 HD3 ARG A 39 -13.431 3.833 5.483 1.00 40.31 H new ATOM 0 HE ARG A 39 -14.114 5.321 7.842 1.00 51.10 H new ATOM 0 HH11 ARG A 39 -15.159 2.570 5.892 1.00 72.15 H new ATOM 0 HH12 ARG A 39 -15.897 1.732 7.261 1.00 72.15 H new ATOM 0 HH21 ARG A 39 -15.063 4.239 9.596 1.00 12.14 H new ATOM 0 HH22 ARG A 39 -15.843 2.673 9.351 1.00 12.14 H new ATOM 632 N GLU A 40 -15.209 8.027 1.806 1.00 24.23 N ATOM 633 CA GLU A 40 -16.422 8.239 1.025 1.00 31.43 C ATOM 634 C GLU A 40 -16.224 7.793 -0.421 1.00 52.33 C ATOM 635 O GLU A 40 -17.160 7.329 -1.072 1.00 13.45 O ATOM 636 CB GLU A 40 -16.829 9.714 1.063 1.00 20.11 C ATOM 637 CG GLU A 40 -18.326 9.936 0.938 1.00 55.04 C ATOM 638 CD GLU A 40 -19.008 10.091 2.285 1.00 22.05 C ATOM 639 OE1 GLU A 40 -18.802 11.137 2.936 1.00 13.20 O ATOM 640 OE2 GLU A 40 -19.745 9.167 2.688 1.00 65.01 O ATOM 0 H GLU A 40 -14.601 8.843 1.871 1.00 24.23 H new ATOM 0 HA GLU A 40 -17.217 7.638 1.467 1.00 31.43 H new ATOM 0 HB2 GLU A 40 -16.482 10.154 1.998 1.00 20.11 H new ATOM 0 HB3 GLU A 40 -16.323 10.243 0.255 1.00 20.11 H new ATOM 0 HG2 GLU A 40 -18.508 10.827 0.338 1.00 55.04 H new ATOM 0 HG3 GLU A 40 -18.771 9.096 0.404 1.00 55.04 H new ATOM 647 N LEU A 41 -14.999 7.935 -0.915 1.00 74.42 N ATOM 648 CA LEU A 41 -14.676 7.547 -2.284 1.00 74.33 C ATOM 649 C LEU A 41 -14.812 6.040 -2.469 1.00 44.12 C ATOM 650 O LEU A 41 -15.349 5.573 -3.474 1.00 70.45 O ATOM 651 CB LEU A 41 -13.256 7.990 -2.639 1.00 33.32 C ATOM 652 CG LEU A 41 -12.998 9.498 -2.616 1.00 2.23 C ATOM 653 CD1 LEU A 41 -11.580 9.789 -2.150 1.00 24.20 C ATOM 654 CD2 LEU A 41 -13.244 10.102 -3.991 1.00 72.03 C ATOM 0 H LEU A 41 -14.213 8.316 -0.388 1.00 74.42 H new ATOM 0 HA LEU A 41 -15.382 8.041 -2.952 1.00 74.33 H new ATOM 0 HB2 LEU A 41 -12.564 7.512 -1.946 1.00 33.32 H new ATOM 0 HB3 LEU A 41 -13.018 7.616 -3.635 1.00 33.32 H new ATOM 0 HG LEU A 41 -13.692 9.956 -1.911 1.00 2.23 H new ATOM 0 HD11 LEU A 41 -11.414 10.866 -2.140 1.00 24.20 H new ATOM 0 HD12 LEU A 41 -11.438 9.391 -1.145 1.00 24.20 H new ATOM 0 HD13 LEU A 41 -10.870 9.319 -2.830 1.00 24.20 H new ATOM 0 HD21 LEU A 41 -13.056 11.175 -3.956 1.00 72.03 H new ATOM 0 HD22 LEU A 41 -12.575 9.640 -4.717 1.00 72.03 H new ATOM 0 HD23 LEU A 41 -14.278 9.925 -4.287 1.00 72.03 H new ATOM 666 N GLU A 42 -14.324 5.283 -1.491 1.00 44.41 N ATOM 667 CA GLU A 42 -14.392 3.827 -1.546 1.00 51.04 C ATOM 668 C GLU A 42 -15.842 3.350 -1.560 1.00 22.52 C ATOM 669 O GLU A 42 -16.134 2.233 -1.984 1.00 14.43 O ATOM 670 CB GLU A 42 -13.654 3.214 -0.354 1.00 43.34 C ATOM 671 CG GLU A 42 -13.542 1.700 -0.420 1.00 3.44 C ATOM 672 CD GLU A 42 -14.356 1.007 0.653 1.00 55.03 C ATOM 673 OE1 GLU A 42 -14.197 1.360 1.841 1.00 11.43 O ATOM 674 OE2 GLU A 42 -15.154 0.110 0.306 1.00 20.13 O ATOM 0 H GLU A 42 -13.878 5.653 -0.652 1.00 44.41 H new ATOM 0 HA GLU A 42 -13.911 3.501 -2.468 1.00 51.04 H new ATOM 0 HB2 GLU A 42 -12.653 3.642 -0.298 1.00 43.34 H new ATOM 0 HB3 GLU A 42 -14.171 3.492 0.564 1.00 43.34 H new ATOM 0 HG2 GLU A 42 -13.874 1.358 -1.400 1.00 3.44 H new ATOM 0 HG3 GLU A 42 -12.495 1.412 -0.319 1.00 3.44 H new ATOM 681 N ARG A 43 -16.745 4.207 -1.093 1.00 10.11 N ATOM 682 CA ARG A 43 -18.163 3.874 -1.051 1.00 54.21 C ATOM 683 C ARG A 43 -18.899 4.471 -2.246 1.00 24.53 C ATOM 684 O ARG A 43 -19.925 3.949 -2.682 1.00 71.04 O ATOM 685 CB ARG A 43 -18.789 4.380 0.251 1.00 60.12 C ATOM 686 CG ARG A 43 -18.578 3.446 1.431 1.00 70.05 C ATOM 687 CD ARG A 43 -19.728 2.461 1.574 1.00 44.12 C ATOM 688 NE ARG A 43 -19.262 1.126 1.942 1.00 32.02 N ATOM 689 CZ ARG A 43 -20.031 0.044 1.903 1.00 43.23 C ATOM 690 NH1 ARG A 43 -21.295 0.137 1.517 1.00 74.54 N ATOM 691 NH2 ARG A 43 -19.534 -1.137 2.253 1.00 35.52 N ATOM 0 H ARG A 43 -16.519 5.136 -0.739 1.00 10.11 H new ATOM 0 HA ARG A 43 -18.256 2.789 -1.095 1.00 54.21 H new ATOM 0 HB2 ARG A 43 -18.368 5.356 0.491 1.00 60.12 H new ATOM 0 HB3 ARG A 43 -19.859 4.523 0.098 1.00 60.12 H new ATOM 0 HG2 ARG A 43 -17.644 2.900 1.302 1.00 70.05 H new ATOM 0 HG3 ARG A 43 -18.482 4.030 2.346 1.00 70.05 H new ATOM 0 HD2 ARG A 43 -20.424 2.823 2.331 1.00 44.12 H new ATOM 0 HD3 ARG A 43 -20.278 2.407 0.635 1.00 44.12 H new ATOM 0 HE ARG A 43 -18.294 1.019 2.245 1.00 32.02 H new ATOM 0 HH11 ARG A 43 -21.681 1.042 1.248 1.00 74.54 H new ATOM 0 HH12 ARG A 43 -21.882 -0.697 1.488 1.00 74.54 H new ATOM 0 HH21 ARG A 43 -18.562 -1.213 2.552 1.00 35.52 H new ATOM 0 HH22 ARG A 43 -20.125 -1.968 2.223 1.00 35.52 H new ATOM 705 N PHE A 44 -18.367 5.569 -2.774 1.00 65.14 N ATOM 706 CA PHE A 44 -18.973 6.239 -3.918 1.00 51.02 C ATOM 707 C PHE A 44 -18.770 5.426 -5.194 1.00 54.14 C ATOM 708 O PHE A 44 -19.734 4.984 -5.820 1.00 64.45 O ATOM 709 CB PHE A 44 -18.377 7.637 -4.092 1.00 72.42 C ATOM 710 CG PHE A 44 -19.254 8.733 -3.554 1.00 45.44 C ATOM 711 CD1 PHE A 44 -19.927 8.573 -2.353 1.00 4.20 C ATOM 712 CD2 PHE A 44 -19.403 9.923 -4.248 1.00 41.53 C ATOM 713 CE1 PHE A 44 -20.733 9.579 -1.855 1.00 14.34 C ATOM 714 CE2 PHE A 44 -20.209 10.932 -3.755 1.00 60.32 C ATOM 715 CZ PHE A 44 -20.874 10.760 -2.557 1.00 63.31 C ATOM 0 H PHE A 44 -17.517 6.013 -2.427 1.00 65.14 H new ATOM 0 HA PHE A 44 -20.043 6.328 -3.730 1.00 51.02 H new ATOM 0 HB2 PHE A 44 -17.410 7.676 -3.590 1.00 72.42 H new ATOM 0 HB3 PHE A 44 -18.194 7.816 -5.151 1.00 72.42 H new ATOM 0 HD1 PHE A 44 -19.820 7.651 -1.800 1.00 4.20 H new ATOM 0 HD2 PHE A 44 -18.884 10.064 -5.184 1.00 41.53 H new ATOM 0 HE1 PHE A 44 -21.252 9.442 -0.918 1.00 14.34 H new ATOM 0 HE2 PHE A 44 -20.319 11.854 -4.306 1.00 60.32 H new ATOM 0 HZ PHE A 44 -21.503 11.548 -2.170 1.00 63.31 H new ATOM 725 N ALA A 45 -17.511 5.234 -5.572 1.00 12.13 N ATOM 726 CA ALA A 45 -17.182 4.474 -6.771 1.00 23.11 C ATOM 727 C ALA A 45 -15.727 4.691 -7.176 1.00 42.03 C ATOM 728 O ALA A 45 -15.259 4.134 -8.169 1.00 23.45 O ATOM 729 CB ALA A 45 -18.111 4.858 -7.912 1.00 71.20 C ATOM 0 H ALA A 45 -16.702 5.594 -5.065 1.00 12.13 H new ATOM 0 HA ALA A 45 -17.317 3.416 -6.548 1.00 23.11 H new ATOM 0 HB1 ALA A 45 -17.853 4.282 -8.801 1.00 71.20 H new ATOM 0 HB2 ALA A 45 -19.142 4.646 -7.629 1.00 71.20 H new ATOM 0 HB3 ALA A 45 -18.005 5.922 -8.125 1.00 71.20 H new ATOM 735 N VAL A 46 -15.016 5.503 -6.399 1.00 1.14 N ATOM 736 CA VAL A 46 -13.615 5.793 -6.677 1.00 11.41 C ATOM 737 C VAL A 46 -12.707 5.179 -5.618 1.00 5.03 C ATOM 738 O VAL A 46 -13.048 5.145 -4.436 1.00 10.33 O ATOM 739 CB VAL A 46 -13.357 7.310 -6.742 1.00 35.31 C ATOM 740 CG1 VAL A 46 -11.874 7.593 -6.921 1.00 62.31 C ATOM 741 CG2 VAL A 46 -14.168 7.939 -7.865 1.00 30.31 C ATOM 0 H VAL A 46 -15.388 5.971 -5.573 1.00 1.14 H new ATOM 0 HA VAL A 46 -13.387 5.352 -7.647 1.00 11.41 H new ATOM 0 HB VAL A 46 -13.675 7.756 -5.800 1.00 35.31 H new ATOM 0 HG11 VAL A 46 -11.712 8.670 -6.965 1.00 62.31 H new ATOM 0 HG12 VAL A 46 -11.320 7.176 -6.080 1.00 62.31 H new ATOM 0 HG13 VAL A 46 -11.526 7.136 -7.847 1.00 62.31 H new ATOM 0 HG21 VAL A 46 -13.974 9.011 -7.897 1.00 30.31 H new ATOM 0 HG22 VAL A 46 -13.882 7.490 -8.816 1.00 30.31 H new ATOM 0 HG23 VAL A 46 -15.230 7.767 -7.687 1.00 30.31 H new ATOM 751 N ASN A 47 -11.546 4.696 -6.049 1.00 2.44 N ATOM 752 CA ASN A 47 -10.587 4.082 -5.137 1.00 22.12 C ATOM 753 C ASN A 47 -9.854 5.145 -4.323 1.00 13.04 C ATOM 754 O ASN A 47 -9.509 6.216 -4.822 1.00 21.05 O ATOM 755 CB ASN A 47 -9.579 3.236 -5.918 1.00 64.32 C ATOM 756 CG ASN A 47 -10.004 1.785 -6.025 1.00 11.43 C ATOM 757 OD1 ASN A 47 -11.157 1.485 -6.332 1.00 34.12 O ATOM 758 ND2 ASN A 47 -9.070 0.875 -5.772 1.00 11.14 N ATOM 0 H ASN A 47 -11.246 4.718 -7.024 1.00 2.44 H new ATOM 0 HA ASN A 47 -11.136 3.438 -4.450 1.00 22.12 H new ATOM 0 HB2 ASN A 47 -9.458 3.651 -6.919 1.00 64.32 H new ATOM 0 HB3 ASN A 47 -8.606 3.292 -5.430 1.00 64.32 H new ATOM 0 HD21 ASN A 47 -9.297 -0.118 -5.829 1.00 11.14 H new ATOM 0 HD22 ASN A 47 -8.126 1.169 -5.521 1.00 11.14 H new ATOM 765 N PRO A 48 -9.610 4.843 -3.040 1.00 73.10 N ATOM 766 CA PRO A 48 -8.916 5.758 -2.129 1.00 25.22 C ATOM 767 C PRO A 48 -7.438 5.910 -2.476 1.00 21.24 C ATOM 768 O PRO A 48 -6.741 6.752 -1.912 1.00 73.34 O ATOM 769 CB PRO A 48 -9.077 5.089 -0.763 1.00 75.43 C ATOM 770 CG PRO A 48 -9.258 3.642 -1.067 1.00 1.15 C ATOM 771 CD PRO A 48 -9.994 3.585 -2.378 1.00 4.31 C ATOM 0 HA PRO A 48 -9.325 6.767 -2.175 1.00 25.22 H new ATOM 0 HB2 PRO A 48 -8.201 5.255 -0.136 1.00 75.43 H new ATOM 0 HB3 PRO A 48 -9.935 5.491 -0.225 1.00 75.43 H new ATOM 0 HG2 PRO A 48 -8.296 3.134 -1.137 1.00 1.15 H new ATOM 0 HG3 PRO A 48 -9.824 3.145 -0.279 1.00 1.15 H new ATOM 0 HD2 PRO A 48 -9.700 2.716 -2.966 1.00 4.31 H new ATOM 0 HD3 PRO A 48 -11.072 3.521 -2.231 1.00 4.31 H new ATOM 779 N GLY A 49 -6.966 5.089 -3.411 1.00 73.24 N ATOM 780 CA GLY A 49 -5.574 5.149 -3.817 1.00 53.11 C ATOM 781 C GLY A 49 -5.323 6.214 -4.866 1.00 11.31 C ATOM 782 O GLY A 49 -4.174 6.496 -5.212 1.00 34.42 O ATOM 0 H GLY A 49 -7.523 4.384 -3.894 1.00 73.24 H new ATOM 0 HA2 GLY A 49 -4.952 5.349 -2.944 1.00 53.11 H new ATOM 0 HA3 GLY A 49 -5.271 4.178 -4.209 1.00 53.11 H new ATOM 786 N LEU A 50 -6.397 6.805 -5.376 1.00 5.13 N ATOM 787 CA LEU A 50 -6.287 7.844 -6.395 1.00 60.05 C ATOM 788 C LEU A 50 -6.101 9.216 -5.755 1.00 73.41 C ATOM 789 O LEU A 50 -6.118 10.240 -6.440 1.00 14.42 O ATOM 790 CB LEU A 50 -7.532 7.847 -7.284 1.00 61.52 C ATOM 791 CG LEU A 50 -7.865 6.527 -7.979 1.00 45.14 C ATOM 792 CD1 LEU A 50 -9.181 6.637 -8.732 1.00 1.25 C ATOM 793 CD2 LEU A 50 -6.741 6.121 -8.921 1.00 71.13 C ATOM 0 H LEU A 50 -7.354 6.583 -5.101 1.00 5.13 H new ATOM 0 HA LEU A 50 -5.412 7.628 -7.007 1.00 60.05 H new ATOM 0 HB2 LEU A 50 -8.388 8.140 -6.675 1.00 61.52 H new ATOM 0 HB3 LEU A 50 -7.407 8.615 -8.048 1.00 61.52 H new ATOM 0 HG LEU A 50 -7.970 5.754 -7.217 1.00 45.14 H new ATOM 0 HD11 LEU A 50 -9.401 5.688 -9.220 1.00 1.25 H new ATOM 0 HD12 LEU A 50 -9.981 6.880 -8.033 1.00 1.25 H new ATOM 0 HD13 LEU A 50 -9.105 7.423 -9.484 1.00 1.25 H new ATOM 0 HD21 LEU A 50 -6.996 5.179 -9.407 1.00 71.13 H new ATOM 0 HD22 LEU A 50 -6.603 6.894 -9.677 1.00 71.13 H new ATOM 0 HD23 LEU A 50 -5.818 5.999 -8.355 1.00 71.13 H new ATOM 805 N LEU A 51 -5.922 9.230 -4.439 1.00 60.20 N ATOM 806 CA LEU A 51 -5.730 10.477 -3.706 1.00 23.14 C ATOM 807 C LEU A 51 -4.248 10.823 -3.600 1.00 43.45 C ATOM 808 O LEU A 51 -3.886 11.976 -3.371 1.00 22.20 O ATOM 809 CB LEU A 51 -6.342 10.369 -2.308 1.00 3.45 C ATOM 810 CG LEU A 51 -7.852 10.135 -2.253 1.00 64.11 C ATOM 811 CD1 LEU A 51 -8.240 9.465 -0.944 1.00 15.35 C ATOM 812 CD2 LEU A 51 -8.601 11.449 -2.424 1.00 53.40 C ATOM 0 H LEU A 51 -5.906 8.392 -3.857 1.00 60.20 H new ATOM 0 HA LEU A 51 -6.232 11.274 -4.255 1.00 23.14 H new ATOM 0 HB2 LEU A 51 -5.849 9.554 -1.779 1.00 3.45 H new ATOM 0 HB3 LEU A 51 -6.116 11.285 -1.763 1.00 3.45 H new ATOM 0 HG LEU A 51 -8.129 9.472 -3.073 1.00 64.11 H new ATOM 0 HD11 LEU A 51 -9.318 9.306 -0.922 1.00 15.35 H new ATOM 0 HD12 LEU A 51 -7.730 8.505 -0.861 1.00 15.35 H new ATOM 0 HD13 LEU A 51 -7.950 10.103 -0.109 1.00 15.35 H new ATOM 0 HD21 LEU A 51 -9.674 11.264 -2.382 1.00 53.40 H new ATOM 0 HD22 LEU A 51 -8.320 12.135 -1.625 1.00 53.40 H new ATOM 0 HD23 LEU A 51 -8.346 11.890 -3.387 1.00 53.40 H new ATOM 824 N GLU A 52 -3.396 9.816 -3.770 1.00 34.24 N ATOM 825 CA GLU A 52 -1.954 10.016 -3.695 1.00 55.24 C ATOM 826 C GLU A 52 -1.359 10.221 -5.085 1.00 72.12 C ATOM 827 O GLU A 52 -0.190 9.916 -5.324 1.00 74.21 O ATOM 828 CB GLU A 52 -1.286 8.820 -3.013 1.00 12.33 C ATOM 829 CG GLU A 52 -1.476 7.510 -3.761 1.00 61.23 C ATOM 830 CD GLU A 52 -1.612 6.321 -2.829 1.00 34.11 C ATOM 831 OE1 GLU A 52 -2.614 6.264 -2.084 1.00 2.35 O ATOM 832 OE2 GLU A 52 -0.719 5.449 -2.844 1.00 21.33 O ATOM 0 H GLU A 52 -3.680 8.855 -3.960 1.00 34.24 H new ATOM 0 HA GLU A 52 -1.768 10.913 -3.104 1.00 55.24 H new ATOM 0 HB2 GLU A 52 -0.219 9.019 -2.911 1.00 12.33 H new ATOM 0 HB3 GLU A 52 -1.688 8.715 -2.005 1.00 12.33 H new ATOM 0 HG2 GLU A 52 -2.365 7.579 -4.388 1.00 61.23 H new ATOM 0 HG3 GLU A 52 -0.628 7.350 -4.427 1.00 61.23 H new ATOM 839 N THR A 53 -2.173 10.740 -6.000 1.00 73.23 N ATOM 840 CA THR A 53 -1.729 10.984 -7.365 1.00 32.15 C ATOM 841 C THR A 53 -2.538 12.103 -8.014 1.00 43.41 C ATOM 842 O THR A 53 -3.717 11.932 -8.320 1.00 13.45 O ATOM 843 CB THR A 53 -1.847 9.715 -8.230 1.00 1.32 C ATOM 844 OG1 THR A 53 -3.155 9.632 -8.804 1.00 54.51 O ATOM 845 CG2 THR A 53 -1.570 8.469 -7.402 1.00 33.13 C ATOM 0 H THR A 53 -3.143 10.999 -5.819 1.00 73.23 H new ATOM 0 HA THR A 53 -0.682 11.280 -7.308 1.00 32.15 H new ATOM 0 HB THR A 53 -1.106 9.775 -9.027 1.00 1.32 H new ATOM 0 HG1 THR A 53 -3.771 10.203 -8.299 1.00 54.51 H new ATOM 0 HG21 THR A 53 -1.659 7.585 -8.034 1.00 33.13 H new ATOM 0 HG22 THR A 53 -0.562 8.522 -6.992 1.00 33.13 H new ATOM 0 HG23 THR A 53 -2.291 8.406 -6.587 1.00 33.13 H new ATOM 853 N SER A 54 -1.895 13.248 -8.221 1.00 1.33 N ATOM 854 CA SER A 54 -2.555 14.395 -8.831 1.00 31.41 C ATOM 855 C SER A 54 -3.322 13.980 -10.084 1.00 64.23 C ATOM 856 O SER A 54 -4.420 14.470 -10.343 1.00 41.14 O ATOM 857 CB SER A 54 -1.529 15.474 -9.183 1.00 24.31 C ATOM 858 OG SER A 54 -0.561 14.980 -10.092 1.00 21.22 O ATOM 0 H SER A 54 -0.918 13.405 -7.975 1.00 1.33 H new ATOM 0 HA SER A 54 -3.264 14.799 -8.109 1.00 31.41 H new ATOM 0 HB2 SER A 54 -2.037 16.334 -9.619 1.00 24.31 H new ATOM 0 HB3 SER A 54 -1.036 15.821 -8.275 1.00 24.31 H new ATOM 0 HG SER A 54 0.082 15.689 -10.302 1.00 21.22 H new ATOM 864 N GLU A 55 -2.732 13.071 -10.856 1.00 75.43 N ATOM 865 CA GLU A 55 -3.359 12.590 -12.081 1.00 32.44 C ATOM 866 C GLU A 55 -4.630 11.804 -11.771 1.00 60.14 C ATOM 867 O GLU A 55 -5.558 11.760 -12.577 1.00 53.43 O ATOM 868 CB GLU A 55 -2.384 11.713 -12.869 1.00 42.32 C ATOM 869 CG GLU A 55 -2.913 11.279 -14.225 1.00 53.12 C ATOM 870 CD GLU A 55 -2.401 12.149 -15.357 1.00 53.41 C ATOM 871 OE1 GLU A 55 -1.284 11.887 -15.848 1.00 75.12 O ATOM 872 OE2 GLU A 55 -3.120 13.091 -15.751 1.00 2.34 O ATOM 0 H GLU A 55 -1.823 12.654 -10.655 1.00 75.43 H new ATOM 0 HA GLU A 55 -3.627 13.457 -12.685 1.00 32.44 H new ATOM 0 HB2 GLU A 55 -1.451 12.259 -13.010 1.00 42.32 H new ATOM 0 HB3 GLU A 55 -2.149 10.827 -12.280 1.00 42.32 H new ATOM 0 HG2 GLU A 55 -2.625 10.244 -14.409 1.00 53.12 H new ATOM 0 HG3 GLU A 55 -4.002 11.310 -14.213 1.00 53.12 H new ATOM 879 N GLY A 56 -4.663 11.185 -10.594 1.00 23.24 N ATOM 880 CA GLY A 56 -5.823 10.409 -10.197 1.00 43.43 C ATOM 881 C GLY A 56 -6.857 11.243 -9.467 1.00 34.05 C ATOM 882 O GLY A 56 -8.038 10.893 -9.436 1.00 24.45 O ATOM 0 H GLY A 56 -3.907 11.207 -9.909 1.00 23.24 H new ATOM 0 HA2 GLY A 56 -6.279 9.964 -11.082 1.00 43.43 H new ATOM 0 HA3 GLY A 56 -5.504 9.588 -9.555 1.00 43.43 H new ATOM 886 N CYS A 57 -6.414 12.349 -8.878 1.00 31.14 N ATOM 887 CA CYS A 57 -7.311 13.234 -8.143 1.00 43.12 C ATOM 888 C CYS A 57 -8.196 14.026 -9.099 1.00 74.43 C ATOM 889 O CYS A 57 -9.331 14.371 -8.768 1.00 45.34 O ATOM 890 CB CYS A 57 -6.505 14.191 -7.263 1.00 74.23 C ATOM 891 SG CYS A 57 -5.575 13.375 -5.945 1.00 72.25 S ATOM 0 H CYS A 57 -5.441 12.654 -8.895 1.00 31.14 H new ATOM 0 HA CYS A 57 -7.951 12.620 -7.509 1.00 43.12 H new ATOM 0 HB2 CYS A 57 -5.811 14.748 -7.892 1.00 74.23 H new ATOM 0 HB3 CYS A 57 -7.185 14.917 -6.817 1.00 74.23 H new ATOM 0 HG CYS A 57 -5.635 12.086 -6.105 1.00 72.25 H new ATOM 897 N ARG A 58 -7.670 14.314 -10.285 1.00 20.14 N ATOM 898 CA ARG A 58 -8.412 15.068 -11.288 1.00 72.11 C ATOM 899 C ARG A 58 -9.591 14.256 -11.817 1.00 20.55 C ATOM 900 O ARG A 58 -10.683 14.786 -12.012 1.00 75.33 O ATOM 901 CB ARG A 58 -7.491 15.464 -12.443 1.00 32.21 C ATOM 902 CG ARG A 58 -7.679 16.899 -12.908 1.00 73.22 C ATOM 903 CD ARG A 58 -7.472 17.031 -14.410 1.00 41.45 C ATOM 904 NE ARG A 58 -6.815 18.285 -14.763 1.00 40.03 N ATOM 905 CZ ARG A 58 -6.317 18.539 -15.968 1.00 71.12 C ATOM 906 NH1 ARG A 58 -6.401 17.631 -16.929 1.00 4.12 N ATOM 907 NH2 ARG A 58 -5.733 19.706 -16.213 1.00 23.15 N ATOM 0 H ARG A 58 -6.732 14.036 -10.575 1.00 20.14 H new ATOM 0 HA ARG A 58 -8.799 15.971 -10.815 1.00 72.11 H new ATOM 0 HB2 ARG A 58 -6.455 15.324 -12.135 1.00 32.21 H new ATOM 0 HB3 ARG A 58 -7.667 14.793 -13.283 1.00 32.21 H new ATOM 0 HG2 ARG A 58 -8.681 17.239 -12.647 1.00 73.22 H new ATOM 0 HG3 ARG A 58 -6.976 17.547 -12.385 1.00 73.22 H new ATOM 0 HD2 ARG A 58 -6.872 16.194 -14.768 1.00 41.45 H new ATOM 0 HD3 ARG A 58 -8.436 16.972 -14.915 1.00 41.45 H new ATOM 0 HE ARG A 58 -6.734 19.006 -14.046 1.00 40.03 H new ATOM 0 HH11 ARG A 58 -6.849 16.733 -16.745 1.00 4.12 H new ATOM 0 HH12 ARG A 58 -6.018 17.829 -17.853 1.00 4.12 H new ATOM 0 HH21 ARG A 58 -5.667 20.408 -15.476 1.00 23.15 H new ATOM 0 HH22 ARG A 58 -5.351 19.901 -17.138 1.00 23.15 H new ATOM 921 N GLN A 59 -9.358 12.968 -12.047 1.00 34.14 N ATOM 922 CA GLN A 59 -10.401 12.083 -12.555 1.00 32.32 C ATOM 923 C GLN A 59 -11.603 12.064 -11.617 1.00 44.23 C ATOM 924 O GLN A 59 -12.722 11.761 -12.032 1.00 34.53 O ATOM 925 CB GLN A 59 -9.855 10.666 -12.734 1.00 24.11 C ATOM 926 CG GLN A 59 -9.555 10.306 -14.180 1.00 72.40 C ATOM 927 CD GLN A 59 -8.945 8.927 -14.325 1.00 72.10 C ATOM 928 OE1 GLN A 59 -7.842 8.669 -13.840 1.00 33.35 O ATOM 929 NE2 GLN A 59 -9.660 8.029 -14.994 1.00 72.34 N ATOM 0 H GLN A 59 -8.458 12.514 -11.890 1.00 34.14 H new ATOM 0 HA GLN A 59 -10.726 12.464 -13.523 1.00 32.32 H new ATOM 0 HB2 GLN A 59 -8.944 10.560 -12.146 1.00 24.11 H new ATOM 0 HB3 GLN A 59 -10.577 9.954 -12.334 1.00 24.11 H new ATOM 0 HG2 GLN A 59 -10.476 10.354 -14.761 1.00 72.40 H new ATOM 0 HG3 GLN A 59 -8.874 11.046 -14.601 1.00 72.40 H new ATOM 0 HE21 GLN A 59 -10.569 8.285 -15.379 1.00 72.34 H new ATOM 0 HE22 GLN A 59 -9.300 7.083 -15.122 1.00 72.34 H new ATOM 938 N ILE A 60 -11.364 12.387 -10.351 1.00 2.00 N ATOM 939 CA ILE A 60 -12.427 12.407 -9.354 1.00 0.41 C ATOM 940 C ILE A 60 -13.374 13.580 -9.583 1.00 14.53 C ATOM 941 O ILE A 60 -14.591 13.445 -9.447 1.00 61.32 O ATOM 942 CB ILE A 60 -11.859 12.493 -7.926 1.00 44.44 C ATOM 943 CG1 ILE A 60 -10.684 11.525 -7.761 1.00 30.13 C ATOM 944 CG2 ILE A 60 -12.945 12.192 -6.904 1.00 62.31 C ATOM 945 CD1 ILE A 60 -10.097 11.519 -6.368 1.00 44.24 C ATOM 0 H ILE A 60 -10.443 12.639 -9.991 1.00 2.00 H new ATOM 0 HA ILE A 60 -12.977 11.472 -9.462 1.00 0.41 H new ATOM 0 HB ILE A 60 -11.498 13.507 -7.756 1.00 44.44 H new ATOM 0 HG12 ILE A 60 -11.016 10.517 -8.011 1.00 30.13 H new ATOM 0 HG13 ILE A 60 -9.903 11.789 -8.474 1.00 30.13 H new ATOM 0 HG21 ILE A 60 -12.527 12.257 -5.899 1.00 62.31 H new ATOM 0 HG22 ILE A 60 -13.753 12.916 -7.008 1.00 62.31 H new ATOM 0 HG23 ILE A 60 -13.334 11.187 -7.071 1.00 62.31 H new ATOM 0 HD11 ILE A 60 -9.270 10.811 -6.325 1.00 44.24 H new ATOM 0 HD12 ILE A 60 -9.734 12.517 -6.122 1.00 44.24 H new ATOM 0 HD13 ILE A 60 -10.864 11.225 -5.651 1.00 44.24 H new ATOM 957 N LEU A 61 -12.809 14.729 -9.935 1.00 51.41 N ATOM 958 CA LEU A 61 -13.603 15.926 -10.186 1.00 71.21 C ATOM 959 C LEU A 61 -14.298 15.845 -11.541 1.00 22.32 C ATOM 960 O LEU A 61 -15.449 16.256 -11.686 1.00 40.21 O ATOM 961 CB LEU A 61 -12.716 17.171 -10.130 1.00 71.34 C ATOM 962 CG LEU A 61 -12.017 17.437 -8.795 1.00 1.14 C ATOM 963 CD1 LEU A 61 -10.900 18.454 -8.972 1.00 24.32 C ATOM 964 CD2 LEU A 61 -13.017 17.916 -7.754 1.00 33.43 C ATOM 0 H LEU A 61 -11.804 14.857 -10.053 1.00 51.41 H new ATOM 0 HA LEU A 61 -14.366 15.995 -9.410 1.00 71.21 H new ATOM 0 HB2 LEU A 61 -11.955 17.086 -10.905 1.00 71.34 H new ATOM 0 HB3 LEU A 61 -13.327 18.039 -10.377 1.00 71.34 H new ATOM 0 HG LEU A 61 -11.579 16.503 -8.444 1.00 1.14 H new ATOM 0 HD11 LEU A 61 -10.414 18.631 -8.013 1.00 24.32 H new ATOM 0 HD12 LEU A 61 -10.169 18.071 -9.684 1.00 24.32 H new ATOM 0 HD13 LEU A 61 -11.316 19.390 -9.346 1.00 24.32 H new ATOM 0 HD21 LEU A 61 -12.501 18.100 -6.812 1.00 33.43 H new ATOM 0 HD22 LEU A 61 -13.486 18.838 -8.097 1.00 33.43 H new ATOM 0 HD23 LEU A 61 -13.782 17.154 -7.606 1.00 33.43 H new ATOM 976 N GLY A 62 -13.591 15.310 -12.532 1.00 10.21 N ATOM 977 CA GLY A 62 -14.157 15.182 -13.863 1.00 41.25 C ATOM 978 C GLY A 62 -15.215 14.099 -13.940 1.00 11.01 C ATOM 979 O GLY A 62 -15.962 14.022 -14.916 1.00 31.12 O ATOM 0 H GLY A 62 -12.637 14.963 -12.437 1.00 10.21 H new ATOM 0 HA2 GLY A 62 -14.594 16.135 -14.162 1.00 41.25 H new ATOM 0 HA3 GLY A 62 -13.361 14.959 -14.573 1.00 41.25 H new ATOM 983 N GLN A 63 -15.277 13.260 -12.912 1.00 55.43 N ATOM 984 CA GLN A 63 -16.250 12.174 -12.870 1.00 34.23 C ATOM 985 C GLN A 63 -17.554 12.636 -12.226 1.00 11.42 C ATOM 986 O GLN A 63 -18.643 12.295 -12.691 1.00 72.34 O ATOM 987 CB GLN A 63 -15.683 10.981 -12.099 1.00 24.15 C ATOM 988 CG GLN A 63 -15.104 9.898 -12.996 1.00 42.01 C ATOM 989 CD GLN A 63 -13.910 9.202 -12.374 1.00 2.05 C ATOM 990 OE1 GLN A 63 -13.766 9.164 -11.152 1.00 51.10 O ATOM 991 NE2 GLN A 63 -13.044 8.646 -13.214 1.00 32.03 N ATOM 0 H GLN A 63 -14.666 13.311 -12.097 1.00 55.43 H new ATOM 0 HA GLN A 63 -16.459 11.869 -13.895 1.00 34.23 H new ATOM 0 HB2 GLN A 63 -14.906 11.333 -11.420 1.00 24.15 H new ATOM 0 HB3 GLN A 63 -16.472 10.548 -11.483 1.00 24.15 H new ATOM 0 HG2 GLN A 63 -15.877 9.161 -13.214 1.00 42.01 H new ATOM 0 HG3 GLN A 63 -14.807 10.340 -13.947 1.00 42.01 H new ATOM 0 HE21 GLN A 63 -13.202 8.701 -14.220 1.00 32.03 H new ATOM 0 HE22 GLN A 63 -12.221 8.164 -12.853 1.00 32.03 H new ATOM 1000 N LEU A 64 -17.437 13.412 -11.155 1.00 64.11 N ATOM 1001 CA LEU A 64 -18.605 13.921 -10.446 1.00 34.34 C ATOM 1002 C LEU A 64 -19.215 15.109 -11.185 1.00 11.22 C ATOM 1003 O LEU A 64 -20.382 15.444 -10.983 1.00 3.21 O ATOM 1004 CB LEU A 64 -18.225 14.332 -9.023 1.00 70.02 C ATOM 1005 CG LEU A 64 -17.580 13.246 -8.161 1.00 0.33 C ATOM 1006 CD1 LEU A 64 -17.074 13.833 -6.853 1.00 24.01 C ATOM 1007 CD2 LEU A 64 -18.567 12.119 -7.896 1.00 4.54 C ATOM 0 H LEU A 64 -16.544 13.703 -10.758 1.00 64.11 H new ATOM 0 HA LEU A 64 -19.347 13.124 -10.401 1.00 34.34 H new ATOM 0 HB2 LEU A 64 -17.539 15.177 -9.081 1.00 70.02 H new ATOM 0 HB3 LEU A 64 -19.123 14.685 -8.516 1.00 70.02 H new ATOM 0 HG LEU A 64 -16.729 12.836 -8.704 1.00 0.33 H new ATOM 0 HD11 LEU A 64 -16.618 13.045 -6.253 1.00 24.01 H new ATOM 0 HD12 LEU A 64 -16.333 14.604 -7.063 1.00 24.01 H new ATOM 0 HD13 LEU A 64 -17.908 14.271 -6.304 1.00 24.01 H new ATOM 0 HD21 LEU A 64 -18.091 11.355 -7.281 1.00 4.54 H new ATOM 0 HD22 LEU A 64 -19.438 12.514 -7.374 1.00 4.54 H new ATOM 0 HD23 LEU A 64 -18.880 11.679 -8.843 1.00 4.54 H new ATOM 1019 N GLN A 65 -18.418 15.739 -12.041 1.00 24.01 N ATOM 1020 CA GLN A 65 -18.880 16.888 -12.811 1.00 72.44 C ATOM 1021 C GLN A 65 -20.378 16.795 -13.083 1.00 42.10 C ATOM 1022 O GLN A 65 -21.161 17.657 -12.687 1.00 71.44 O ATOM 1023 CB GLN A 65 -18.114 16.987 -14.131 1.00 55.21 C ATOM 1024 CG GLN A 65 -17.158 18.167 -14.194 1.00 12.42 C ATOM 1025 CD GLN A 65 -16.698 18.470 -15.606 1.00 24.13 C ATOM 1026 OE1 GLN A 65 -15.614 18.056 -16.020 1.00 60.30 O ATOM 1027 NE2 GLN A 65 -17.520 19.196 -16.354 1.00 43.11 N ATOM 0 H GLN A 65 -17.449 15.474 -12.219 1.00 24.01 H new ATOM 0 HA GLN A 65 -18.692 17.786 -12.223 1.00 72.44 H new ATOM 0 HB2 GLN A 65 -17.552 16.066 -14.285 1.00 55.21 H new ATOM 0 HB3 GLN A 65 -18.828 17.065 -14.951 1.00 55.21 H new ATOM 0 HG2 GLN A 65 -17.647 19.048 -13.778 1.00 12.42 H new ATOM 0 HG3 GLN A 65 -16.289 17.960 -13.569 1.00 12.42 H new ATOM 0 HE21 GLN A 65 -18.408 19.518 -15.970 1.00 43.11 H new ATOM 0 HE22 GLN A 65 -17.263 19.432 -17.313 1.00 43.11 H new ATOM 1036 N PRO A 66 -20.787 15.722 -13.776 1.00 71.31 N ATOM 1037 CA PRO A 66 -22.194 15.489 -14.117 1.00 72.11 C ATOM 1038 C PRO A 66 -23.037 15.143 -12.894 1.00 15.14 C ATOM 1039 O PRO A 66 -24.116 15.701 -12.695 1.00 52.44 O ATOM 1040 CB PRO A 66 -22.133 14.300 -15.080 1.00 34.41 C ATOM 1041 CG PRO A 66 -20.874 13.589 -14.725 1.00 32.44 C ATOM 1042 CD PRO A 66 -19.908 14.653 -14.281 1.00 73.11 C ATOM 0 HA PRO A 66 -22.663 16.376 -14.543 1.00 72.11 H new ATOM 0 HB2 PRO A 66 -23.001 13.651 -14.963 1.00 34.41 H new ATOM 0 HB3 PRO A 66 -22.121 14.632 -16.118 1.00 34.41 H new ATOM 0 HG2 PRO A 66 -21.047 12.863 -13.931 1.00 32.44 H new ATOM 0 HG3 PRO A 66 -20.482 13.039 -15.580 1.00 32.44 H new ATOM 0 HD2 PRO A 66 -19.235 14.287 -13.506 1.00 73.11 H new ATOM 0 HD3 PRO A 66 -19.286 15.000 -15.106 1.00 73.11 H new ATOM 1050 N SER A 67 -22.538 14.219 -12.080 1.00 60.22 N ATOM 1051 CA SER A 67 -23.247 13.796 -10.879 1.00 41.23 C ATOM 1052 C SER A 67 -23.592 14.995 -10.001 1.00 41.22 C ATOM 1053 O SER A 67 -24.522 14.942 -9.193 1.00 2.23 O ATOM 1054 CB SER A 67 -22.402 12.796 -10.087 1.00 64.33 C ATOM 1055 OG SER A 67 -22.158 11.623 -10.842 1.00 34.34 O ATOM 0 H SER A 67 -21.645 13.749 -12.230 1.00 60.22 H new ATOM 0 HA SER A 67 -24.175 13.313 -11.186 1.00 41.23 H new ATOM 0 HB2 SER A 67 -21.454 13.257 -9.809 1.00 64.33 H new ATOM 0 HB3 SER A 67 -22.914 12.536 -9.161 1.00 64.33 H new ATOM 0 HG SER A 67 -21.615 11.001 -10.314 1.00 34.34 H new ATOM 1061 N LEU A 68 -22.838 16.076 -10.164 1.00 42.13 N ATOM 1062 CA LEU A 68 -23.062 17.291 -9.386 1.00 10.42 C ATOM 1063 C LEU A 68 -24.450 17.861 -9.658 1.00 32.52 C ATOM 1064 O LEU A 68 -25.006 18.585 -8.832 1.00 41.24 O ATOM 1065 CB LEU A 68 -21.994 18.335 -9.716 1.00 52.00 C ATOM 1066 CG LEU A 68 -20.587 18.043 -9.196 1.00 64.23 C ATOM 1067 CD1 LEU A 68 -19.548 18.786 -10.022 1.00 52.25 C ATOM 1068 CD2 LEU A 68 -20.472 18.420 -7.727 1.00 64.34 C ATOM 0 H LEU A 68 -22.066 16.137 -10.828 1.00 42.13 H new ATOM 0 HA LEU A 68 -22.995 17.035 -8.329 1.00 10.42 H new ATOM 0 HB2 LEU A 68 -21.944 18.444 -10.799 1.00 52.00 H new ATOM 0 HB3 LEU A 68 -22.316 19.295 -9.313 1.00 52.00 H new ATOM 0 HG LEU A 68 -20.400 16.973 -9.291 1.00 64.23 H new ATOM 0 HD11 LEU A 68 -18.552 18.566 -9.637 1.00 52.25 H new ATOM 0 HD12 LEU A 68 -19.614 18.467 -11.062 1.00 52.25 H new ATOM 0 HD13 LEU A 68 -19.732 19.858 -9.959 1.00 52.25 H new ATOM 0 HD21 LEU A 68 -19.463 18.205 -7.374 1.00 64.34 H new ATOM 0 HD22 LEU A 68 -20.680 19.483 -7.607 1.00 64.34 H new ATOM 0 HD23 LEU A 68 -21.191 17.842 -7.146 1.00 64.34 H new ATOM 1080 N GLN A 69 -25.004 17.530 -10.819 1.00 25.15 N ATOM 1081 CA GLN A 69 -26.327 18.010 -11.199 1.00 14.21 C ATOM 1082 C GLN A 69 -27.341 17.743 -10.090 1.00 14.33 C ATOM 1083 O GLN A 69 -28.157 18.604 -9.760 1.00 11.34 O ATOM 1084 CB GLN A 69 -26.784 17.339 -12.495 1.00 34.34 C ATOM 1085 CG GLN A 69 -27.902 18.085 -13.206 1.00 0.32 C ATOM 1086 CD GLN A 69 -27.612 18.309 -14.677 1.00 11.43 C ATOM 1087 OE1 GLN A 69 -28.010 17.513 -15.528 1.00 11.43 O ATOM 1088 NE2 GLN A 69 -26.914 19.395 -14.985 1.00 72.42 N ATOM 0 H GLN A 69 -24.557 16.931 -11.513 1.00 25.15 H new ATOM 0 HA GLN A 69 -26.263 19.086 -11.359 1.00 14.21 H new ATOM 0 HB2 GLN A 69 -25.932 17.251 -13.169 1.00 34.34 H new ATOM 0 HB3 GLN A 69 -27.119 16.326 -12.271 1.00 34.34 H new ATOM 0 HG2 GLN A 69 -28.830 17.523 -13.104 1.00 0.32 H new ATOM 0 HG3 GLN A 69 -28.057 19.048 -12.720 1.00 0.32 H new ATOM 0 HE21 GLN A 69 -26.604 20.028 -14.248 1.00 72.42 H new ATOM 0 HE22 GLN A 69 -26.688 19.597 -15.959 1.00 72.42 H new ATOM 1097 N THR A 70 -27.284 16.544 -9.519 1.00 43.03 N ATOM 1098 CA THR A 70 -28.198 16.163 -8.449 1.00 23.54 C ATOM 1099 C THR A 70 -27.489 15.319 -7.396 1.00 73.54 C ATOM 1100 O THR A 70 -28.053 14.358 -6.874 1.00 23.23 O ATOM 1101 CB THR A 70 -29.405 15.377 -8.994 1.00 44.32 C ATOM 1102 OG1 THR A 70 -29.772 15.876 -10.285 1.00 4.30 O ATOM 1103 CG2 THR A 70 -30.591 15.482 -8.048 1.00 41.11 C ATOM 0 H THR A 70 -26.614 15.820 -9.780 1.00 43.03 H new ATOM 0 HA THR A 70 -28.553 17.087 -7.992 1.00 23.54 H new ATOM 0 HB THR A 70 -29.120 14.328 -9.078 1.00 44.32 H new ATOM 0 HG1 THR A 70 -30.539 15.370 -10.625 1.00 4.30 H new ATOM 0 HG21 THR A 70 -31.431 14.919 -8.454 1.00 41.11 H new ATOM 0 HG22 THR A 70 -30.317 15.074 -7.075 1.00 41.11 H new ATOM 0 HG23 THR A 70 -30.876 16.528 -7.936 1.00 41.11 H new ATOM 1111 N GLY A 71 -26.248 15.685 -7.086 1.00 32.24 N ATOM 1112 CA GLY A 71 -25.484 14.950 -6.096 1.00 23.44 C ATOM 1113 C GLY A 71 -25.817 15.370 -4.678 1.00 53.22 C ATOM 1114 O GLY A 71 -26.079 16.544 -4.416 1.00 53.32 O ATOM 0 H GLY A 71 -25.759 16.477 -7.503 1.00 32.24 H new ATOM 0 HA2 GLY A 71 -25.677 13.883 -6.211 1.00 23.44 H new ATOM 0 HA3 GLY A 71 -24.420 15.102 -6.276 1.00 23.44 H new ATOM 1118 N SER A 72 -25.810 14.409 -3.760 1.00 12.54 N ATOM 1119 CA SER A 72 -26.119 14.683 -2.362 1.00 14.43 C ATOM 1120 C SER A 72 -24.954 15.391 -1.677 1.00 13.44 C ATOM 1121 O SER A 72 -23.909 15.619 -2.285 1.00 13.23 O ATOM 1122 CB SER A 72 -26.446 13.383 -1.626 1.00 54.22 C ATOM 1123 OG SER A 72 -25.265 12.738 -1.182 1.00 42.15 O ATOM 0 H SER A 72 -25.593 13.433 -3.960 1.00 12.54 H new ATOM 0 HA SER A 72 -26.989 15.339 -2.329 1.00 14.43 H new ATOM 0 HB2 SER A 72 -27.090 13.596 -0.773 1.00 54.22 H new ATOM 0 HB3 SER A 72 -27.002 12.717 -2.286 1.00 54.22 H new ATOM 0 HG SER A 72 -25.501 11.910 -0.713 1.00 42.15 H new ATOM 1129 N GLU A 73 -25.144 15.735 -0.407 1.00 4.34 N ATOM 1130 CA GLU A 73 -24.109 16.416 0.361 1.00 21.41 C ATOM 1131 C GLU A 73 -22.797 15.638 0.320 1.00 13.34 C ATOM 1132 O GLU A 73 -21.716 16.224 0.297 1.00 15.14 O ATOM 1133 CB GLU A 73 -24.558 16.603 1.812 1.00 32.13 C ATOM 1134 CG GLU A 73 -24.942 15.304 2.502 1.00 31.42 C ATOM 1135 CD GLU A 73 -25.496 15.526 3.896 1.00 2.51 C ATOM 1136 OE1 GLU A 73 -24.690 15.612 4.846 1.00 52.42 O ATOM 1137 OE2 GLU A 73 -26.733 15.612 4.037 1.00 12.11 O ATOM 0 H GLU A 73 -26.004 15.553 0.111 1.00 4.34 H new ATOM 0 HA GLU A 73 -23.945 17.394 -0.090 1.00 21.41 H new ATOM 0 HB2 GLU A 73 -23.754 17.079 2.374 1.00 32.13 H new ATOM 0 HB3 GLU A 73 -25.410 17.283 1.835 1.00 32.13 H new ATOM 0 HG2 GLU A 73 -25.685 14.782 1.899 1.00 31.42 H new ATOM 0 HG3 GLU A 73 -24.067 14.656 2.561 1.00 31.42 H new ATOM 1144 N GLU A 74 -22.903 14.312 0.312 1.00 34.21 N ATOM 1145 CA GLU A 74 -21.725 13.453 0.274 1.00 74.13 C ATOM 1146 C GLU A 74 -20.889 13.730 -0.971 1.00 24.21 C ATOM 1147 O GLU A 74 -19.659 13.679 -0.932 1.00 44.35 O ATOM 1148 CB GLU A 74 -22.140 11.981 0.307 1.00 15.15 C ATOM 1149 CG GLU A 74 -22.710 11.538 1.644 1.00 52.30 C ATOM 1150 CD GLU A 74 -22.730 10.030 1.799 1.00 14.44 C ATOM 1151 OE1 GLU A 74 -23.154 9.341 0.848 1.00 2.44 O ATOM 1152 OE2 GLU A 74 -22.322 9.538 2.872 1.00 41.32 O ATOM 0 H GLU A 74 -23.791 13.811 0.331 1.00 34.21 H new ATOM 0 HA GLU A 74 -21.118 13.672 1.153 1.00 74.13 H new ATOM 0 HB2 GLU A 74 -22.882 11.804 -0.471 1.00 15.15 H new ATOM 0 HB3 GLU A 74 -21.275 11.363 0.068 1.00 15.15 H new ATOM 0 HG2 GLU A 74 -22.119 11.974 2.449 1.00 52.30 H new ATOM 0 HG3 GLU A 74 -23.724 11.924 1.748 1.00 52.30 H new ATOM 1159 N LEU A 75 -21.565 14.023 -2.077 1.00 41.10 N ATOM 1160 CA LEU A 75 -20.885 14.308 -3.336 1.00 1.30 C ATOM 1161 C LEU A 75 -20.345 15.734 -3.353 1.00 71.31 C ATOM 1162 O LEU A 75 -19.240 15.985 -3.832 1.00 5.33 O ATOM 1163 CB LEU A 75 -21.840 14.098 -4.512 1.00 23.02 C ATOM 1164 CG LEU A 75 -21.187 13.933 -5.885 1.00 1.14 C ATOM 1165 CD1 LEU A 75 -21.669 12.655 -6.555 1.00 23.10 C ATOM 1166 CD2 LEU A 75 -21.478 15.141 -6.763 1.00 13.13 C ATOM 0 H LEU A 75 -22.583 14.069 -2.127 1.00 41.10 H new ATOM 0 HA LEU A 75 -20.045 13.620 -3.431 1.00 1.30 H new ATOM 0 HB2 LEU A 75 -22.444 13.213 -4.310 1.00 23.02 H new ATOM 0 HB3 LEU A 75 -22.523 14.947 -4.556 1.00 23.02 H new ATOM 0 HG LEU A 75 -20.108 13.862 -5.747 1.00 1.14 H new ATOM 0 HD11 LEU A 75 -21.194 12.554 -7.531 1.00 23.10 H new ATOM 0 HD12 LEU A 75 -21.408 11.798 -5.934 1.00 23.10 H new ATOM 0 HD13 LEU A 75 -22.751 12.696 -6.681 1.00 23.10 H new ATOM 0 HD21 LEU A 75 -21.005 15.006 -7.736 1.00 13.13 H new ATOM 0 HD22 LEU A 75 -22.555 15.245 -6.894 1.00 13.13 H new ATOM 0 HD23 LEU A 75 -21.082 16.039 -6.289 1.00 13.13 H new ATOM 1178 N ARG A 76 -21.132 16.666 -2.824 1.00 10.31 N ATOM 1179 CA ARG A 76 -20.733 18.068 -2.778 1.00 51.43 C ATOM 1180 C ARG A 76 -19.464 18.244 -1.948 1.00 55.04 C ATOM 1181 O ARG A 76 -18.484 18.827 -2.411 1.00 50.30 O ATOM 1182 CB ARG A 76 -21.860 18.922 -2.194 1.00 41.40 C ATOM 1183 CG ARG A 76 -22.143 20.184 -2.992 1.00 10.34 C ATOM 1184 CD ARG A 76 -23.276 20.989 -2.377 1.00 60.42 C ATOM 1185 NE ARG A 76 -22.950 21.451 -1.029 1.00 13.42 N ATOM 1186 CZ ARG A 76 -23.781 22.163 -0.276 1.00 55.31 C ATOM 1187 NH1 ARG A 76 -24.981 22.492 -0.734 1.00 31.12 N ATOM 1188 NH2 ARG A 76 -23.412 22.545 0.940 1.00 74.30 N ATOM 0 H ARG A 76 -22.050 16.475 -2.421 1.00 10.31 H new ATOM 0 HA ARG A 76 -20.529 18.396 -3.797 1.00 51.43 H new ATOM 0 HB2 ARG A 76 -22.769 18.323 -2.143 1.00 41.40 H new ATOM 0 HB3 ARG A 76 -21.602 19.199 -1.172 1.00 41.40 H new ATOM 0 HG2 ARG A 76 -21.243 20.797 -3.037 1.00 10.34 H new ATOM 0 HG3 ARG A 76 -22.399 19.918 -4.017 1.00 10.34 H new ATOM 0 HD2 ARG A 76 -23.497 21.848 -3.011 1.00 60.42 H new ATOM 0 HD3 ARG A 76 -24.178 20.378 -2.343 1.00 60.42 H new ATOM 0 HE ARG A 76 -22.035 21.214 -0.646 1.00 13.42 H new ATOM 0 HH11 ARG A 76 -25.269 22.198 -1.667 1.00 31.12 H new ATOM 0 HH12 ARG A 76 -25.616 23.039 -0.153 1.00 31.12 H new ATOM 0 HH21 ARG A 76 -22.490 22.292 1.296 1.00 74.30 H new ATOM 0 HH22 ARG A 76 -24.050 23.092 1.518 1.00 74.30 H new ATOM 1202 N SER A 77 -19.492 17.737 -0.719 1.00 13.12 N ATOM 1203 CA SER A 77 -18.347 17.843 0.176 1.00 45.02 C ATOM 1204 C SER A 77 -17.088 17.290 -0.484 1.00 44.22 C ATOM 1205 O SER A 77 -15.996 17.838 -0.326 1.00 75.54 O ATOM 1206 CB SER A 77 -18.623 17.094 1.482 1.00 3.25 C ATOM 1207 OG SER A 77 -19.332 17.909 2.398 1.00 33.32 O ATOM 0 H SER A 77 -20.295 17.249 -0.321 1.00 13.12 H new ATOM 0 HA SER A 77 -18.186 18.898 0.397 1.00 45.02 H new ATOM 0 HB2 SER A 77 -19.198 16.192 1.273 1.00 3.25 H new ATOM 0 HB3 SER A 77 -17.681 16.775 1.928 1.00 3.25 H new ATOM 0 HG SER A 77 -19.020 17.725 3.309 1.00 33.32 H new ATOM 1213 N LEU A 78 -17.247 16.198 -1.225 1.00 63.32 N ATOM 1214 CA LEU A 78 -16.124 15.569 -1.911 1.00 41.02 C ATOM 1215 C LEU A 78 -15.436 16.556 -2.849 1.00 14.44 C ATOM 1216 O LEU A 78 -14.249 16.846 -2.701 1.00 63.43 O ATOM 1217 CB LEU A 78 -16.601 14.347 -2.698 1.00 43.53 C ATOM 1218 CG LEU A 78 -16.206 12.985 -2.127 1.00 40.51 C ATOM 1219 CD1 LEU A 78 -14.698 12.900 -1.941 1.00 73.55 C ATOM 1220 CD2 LEU A 78 -16.923 12.730 -0.809 1.00 50.11 C ATOM 0 H LEU A 78 -18.143 15.730 -1.366 1.00 63.32 H new ATOM 0 HA LEU A 78 -15.403 15.250 -1.158 1.00 41.02 H new ATOM 0 HB2 LEU A 78 -17.688 14.387 -2.769 1.00 43.53 H new ATOM 0 HB3 LEU A 78 -16.212 14.419 -3.714 1.00 43.53 H new ATOM 0 HG LEU A 78 -16.508 12.215 -2.837 1.00 40.51 H new ATOM 0 HD11 LEU A 78 -14.436 11.923 -1.534 1.00 73.55 H new ATOM 0 HD12 LEU A 78 -14.204 13.036 -2.903 1.00 73.55 H new ATOM 0 HD13 LEU A 78 -14.372 13.680 -1.253 1.00 73.55 H new ATOM 0 HD21 LEU A 78 -16.629 11.756 -0.418 1.00 50.11 H new ATOM 0 HD22 LEU A 78 -16.653 13.505 -0.092 1.00 50.11 H new ATOM 0 HD23 LEU A 78 -18.001 12.746 -0.972 1.00 50.11 H new ATOM 1232 N TYR A 79 -16.191 17.069 -3.815 1.00 4.34 N ATOM 1233 CA TYR A 79 -15.655 18.023 -4.779 1.00 44.44 C ATOM 1234 C TYR A 79 -14.846 19.110 -4.076 1.00 45.12 C ATOM 1235 O TYR A 79 -13.777 19.502 -4.542 1.00 70.11 O ATOM 1236 CB TYR A 79 -16.789 18.657 -5.585 1.00 64.32 C ATOM 1237 CG TYR A 79 -16.413 18.969 -7.016 1.00 63.13 C ATOM 1238 CD1 TYR A 79 -15.860 20.199 -7.358 1.00 54.44 C ATOM 1239 CD2 TYR A 79 -16.608 18.035 -8.026 1.00 21.24 C ATOM 1240 CE1 TYR A 79 -15.516 20.488 -8.664 1.00 14.32 C ATOM 1241 CE2 TYR A 79 -16.265 18.316 -9.335 1.00 62.24 C ATOM 1242 CZ TYR A 79 -15.720 19.544 -9.649 1.00 42.15 C ATOM 1243 OH TYR A 79 -15.377 19.829 -10.950 1.00 11.51 O ATOM 0 H TYR A 79 -17.176 16.840 -3.951 1.00 4.34 H new ATOM 0 HA TYR A 79 -14.994 17.484 -5.457 1.00 44.44 H new ATOM 0 HB2 TYR A 79 -17.646 17.984 -5.582 1.00 64.32 H new ATOM 0 HB3 TYR A 79 -17.104 19.577 -5.092 1.00 64.32 H new ATOM 0 HD1 TYR A 79 -15.697 20.940 -6.589 1.00 54.44 H new ATOM 0 HD2 TYR A 79 -17.035 17.073 -7.784 1.00 21.24 H new ATOM 0 HE1 TYR A 79 -15.089 21.448 -8.913 1.00 14.32 H new ATOM 0 HE2 TYR A 79 -16.423 17.578 -10.108 1.00 62.24 H new ATOM 0 HH TYR A 79 -15.584 19.058 -11.519 1.00 11.51 H new ATOM 1253 N ASN A 80 -15.364 19.590 -2.951 1.00 14.12 N ATOM 1254 CA ASN A 80 -14.691 20.631 -2.183 1.00 74.21 C ATOM 1255 C ASN A 80 -13.297 20.181 -1.760 1.00 42.31 C ATOM 1256 O ASN A 80 -12.296 20.804 -2.114 1.00 30.21 O ATOM 1257 CB ASN A 80 -15.517 20.997 -0.948 1.00 22.40 C ATOM 1258 CG ASN A 80 -16.557 22.062 -1.242 1.00 4.20 C ATOM 1259 OD1 ASN A 80 -17.017 22.199 -2.376 1.00 72.21 O ATOM 1260 ND2 ASN A 80 -16.932 22.822 -0.220 1.00 45.43 N ATOM 0 H ASN A 80 -16.248 19.275 -2.551 1.00 14.12 H new ATOM 0 HA ASN A 80 -14.592 21.510 -2.820 1.00 74.21 H new ATOM 0 HB2 ASN A 80 -16.013 20.104 -0.568 1.00 22.40 H new ATOM 0 HB3 ASN A 80 -14.851 21.351 -0.161 1.00 22.40 H new ATOM 0 HD21 ASN A 80 -17.628 23.555 -0.358 1.00 45.43 H new ATOM 0 HD22 ASN A 80 -16.524 22.673 0.703 1.00 45.43 H new ATOM 1267 N THR A 81 -13.237 19.090 -1.001 1.00 75.45 N ATOM 1268 CA THR A 81 -11.967 18.556 -0.529 1.00 44.04 C ATOM 1269 C THR A 81 -11.044 18.220 -1.695 1.00 73.51 C ATOM 1270 O THR A 81 -9.894 18.658 -1.735 1.00 72.34 O ATOM 1271 CB THR A 81 -12.173 17.292 0.328 1.00 62.31 C ATOM 1272 OG1 THR A 81 -13.080 17.570 1.401 1.00 1.41 O ATOM 1273 CG2 THR A 81 -10.849 16.799 0.892 1.00 13.10 C ATOM 0 H THR A 81 -14.055 18.560 -0.701 1.00 75.45 H new ATOM 0 HA THR A 81 -11.507 19.331 0.084 1.00 44.04 H new ATOM 0 HB THR A 81 -12.592 16.513 -0.309 1.00 62.31 H new ATOM 0 HG1 THR A 81 -13.207 16.761 1.940 1.00 1.41 H new ATOM 0 HG21 THR A 81 -11.020 15.906 1.493 1.00 13.10 H new ATOM 0 HG22 THR A 81 -10.171 16.561 0.073 1.00 13.10 H new ATOM 0 HG23 THR A 81 -10.407 17.577 1.515 1.00 13.10 H new ATOM 1281 N ILE A 82 -11.557 17.443 -2.643 1.00 3.35 N ATOM 1282 CA ILE A 82 -10.778 17.051 -3.811 1.00 14.22 C ATOM 1283 C ILE A 82 -10.114 18.260 -4.461 1.00 35.54 C ATOM 1284 O ILE A 82 -8.937 18.219 -4.815 1.00 23.43 O ATOM 1285 CB ILE A 82 -11.654 16.336 -4.858 1.00 24.12 C ATOM 1286 CG1 ILE A 82 -12.335 15.115 -4.237 1.00 53.02 C ATOM 1287 CG2 ILE A 82 -10.816 15.928 -6.060 1.00 1.51 C ATOM 1288 CD1 ILE A 82 -13.683 14.800 -4.846 1.00 3.21 C ATOM 0 H ILE A 82 -12.507 17.073 -2.625 1.00 3.35 H new ATOM 0 HA ILE A 82 -10.009 16.362 -3.460 1.00 14.22 H new ATOM 0 HB ILE A 82 -12.427 17.026 -5.196 1.00 24.12 H new ATOM 0 HG12 ILE A 82 -11.683 14.249 -4.350 1.00 53.02 H new ATOM 0 HG13 ILE A 82 -12.459 15.283 -3.167 1.00 53.02 H new ATOM 0 HG21 ILE A 82 -11.449 15.424 -6.791 1.00 1.51 H new ATOM 0 HG22 ILE A 82 -10.374 16.815 -6.513 1.00 1.51 H new ATOM 0 HG23 ILE A 82 -10.024 15.252 -5.739 1.00 1.51 H new ATOM 0 HD11 ILE A 82 -14.107 13.923 -4.357 1.00 3.21 H new ATOM 0 HD12 ILE A 82 -14.351 15.650 -4.710 1.00 3.21 H new ATOM 0 HD13 ILE A 82 -13.563 14.600 -5.911 1.00 3.21 H new ATOM 1300 N ALA A 83 -10.879 19.337 -4.613 1.00 11.21 N ATOM 1301 CA ALA A 83 -10.364 20.560 -5.217 1.00 55.34 C ATOM 1302 C ALA A 83 -9.050 20.981 -4.569 1.00 61.41 C ATOM 1303 O ALA A 83 -8.074 21.278 -5.257 1.00 2.13 O ATOM 1304 CB ALA A 83 -11.392 21.677 -5.104 1.00 43.15 C ATOM 0 H ALA A 83 -11.857 19.387 -4.326 1.00 11.21 H new ATOM 0 HA ALA A 83 -10.172 20.362 -6.272 1.00 55.34 H new ATOM 0 HB1 ALA A 83 -10.995 22.584 -5.559 1.00 43.15 H new ATOM 0 HB2 ALA A 83 -12.307 21.383 -5.619 1.00 43.15 H new ATOM 0 HB3 ALA A 83 -11.612 21.864 -4.053 1.00 43.15 H new ATOM 1310 N VAL A 84 -9.031 21.005 -3.240 1.00 70.35 N ATOM 1311 CA VAL A 84 -7.836 21.390 -2.498 1.00 11.14 C ATOM 1312 C VAL A 84 -6.750 20.327 -2.619 1.00 71.44 C ATOM 1313 O VAL A 84 -5.594 20.635 -2.915 1.00 73.14 O ATOM 1314 CB VAL A 84 -8.150 21.621 -1.009 1.00 71.21 C ATOM 1315 CG1 VAL A 84 -6.888 22.001 -0.249 1.00 2.43 C ATOM 1316 CG2 VAL A 84 -9.219 22.693 -0.850 1.00 14.43 C ATOM 0 H VAL A 84 -9.830 20.762 -2.655 1.00 70.35 H new ATOM 0 HA VAL A 84 -7.478 22.323 -2.934 1.00 11.14 H new ATOM 0 HB VAL A 84 -8.533 20.691 -0.589 1.00 71.21 H new ATOM 0 HG11 VAL A 84 -7.130 22.160 0.802 1.00 2.43 H new ATOM 0 HG12 VAL A 84 -6.156 21.198 -0.335 1.00 2.43 H new ATOM 0 HG13 VAL A 84 -6.473 22.917 -0.669 1.00 2.43 H new ATOM 0 HG21 VAL A 84 -9.429 22.843 0.209 1.00 14.43 H new ATOM 0 HG22 VAL A 84 -8.865 23.627 -1.286 1.00 14.43 H new ATOM 0 HG23 VAL A 84 -10.130 22.377 -1.359 1.00 14.43 H new ATOM 1326 N LEU A 85 -7.127 19.075 -2.387 1.00 43.02 N ATOM 1327 CA LEU A 85 -6.185 17.964 -2.469 1.00 63.51 C ATOM 1328 C LEU A 85 -5.410 18.004 -3.782 1.00 11.32 C ATOM 1329 O LEU A 85 -4.237 17.632 -3.834 1.00 22.31 O ATOM 1330 CB LEU A 85 -6.925 16.632 -2.341 1.00 4.42 C ATOM 1331 CG LEU A 85 -6.278 15.590 -1.426 1.00 31.44 C ATOM 1332 CD1 LEU A 85 -7.234 15.190 -0.313 1.00 73.30 C ATOM 1333 CD2 LEU A 85 -5.850 14.369 -2.228 1.00 63.05 C ATOM 0 H LEU A 85 -8.079 18.803 -2.140 1.00 43.02 H new ATOM 0 HA LEU A 85 -5.476 18.059 -1.647 1.00 63.51 H new ATOM 0 HB2 LEU A 85 -7.932 16.832 -1.975 1.00 4.42 H new ATOM 0 HB3 LEU A 85 -7.028 16.199 -3.336 1.00 4.42 H new ATOM 0 HG LEU A 85 -5.391 16.033 -0.973 1.00 31.44 H new ATOM 0 HD11 LEU A 85 -6.757 14.448 0.328 1.00 73.30 H new ATOM 0 HD12 LEU A 85 -7.492 16.069 0.279 1.00 73.30 H new ATOM 0 HD13 LEU A 85 -8.140 14.766 -0.746 1.00 73.30 H new ATOM 0 HD21 LEU A 85 -5.392 13.638 -1.562 1.00 63.05 H new ATOM 0 HD22 LEU A 85 -6.722 13.925 -2.709 1.00 63.05 H new ATOM 0 HD23 LEU A 85 -5.129 14.668 -2.989 1.00 63.05 H new ATOM 1345 N TYR A 86 -6.071 18.459 -4.840 1.00 11.23 N ATOM 1346 CA TYR A 86 -5.445 18.547 -6.153 1.00 12.14 C ATOM 1347 C TYR A 86 -4.433 19.689 -6.199 1.00 71.23 C ATOM 1348 O TYR A 86 -3.315 19.523 -6.686 1.00 1.54 O ATOM 1349 CB TYR A 86 -6.506 18.748 -7.236 1.00 34.34 C ATOM 1350 CG TYR A 86 -5.934 18.890 -8.628 1.00 4.53 C ATOM 1351 CD1 TYR A 86 -5.605 17.770 -9.383 1.00 60.52 C ATOM 1352 CD2 TYR A 86 -5.721 20.143 -9.189 1.00 44.04 C ATOM 1353 CE1 TYR A 86 -5.081 17.895 -10.655 1.00 43.44 C ATOM 1354 CE2 TYR A 86 -5.198 20.278 -10.460 1.00 1.42 C ATOM 1355 CZ TYR A 86 -4.879 19.150 -11.188 1.00 31.14 C ATOM 1356 OH TYR A 86 -4.357 19.278 -12.456 1.00 31.05 O ATOM 0 H TYR A 86 -7.041 18.773 -4.814 1.00 11.23 H new ATOM 0 HA TYR A 86 -4.919 17.611 -6.339 1.00 12.14 H new ATOM 0 HB2 TYR A 86 -7.194 17.902 -7.220 1.00 34.34 H new ATOM 0 HB3 TYR A 86 -7.089 19.638 -7.000 1.00 34.34 H new ATOM 0 HD1 TYR A 86 -5.762 16.785 -8.968 1.00 60.52 H new ATOM 0 HD2 TYR A 86 -5.969 21.027 -8.621 1.00 44.04 H new ATOM 0 HE1 TYR A 86 -4.831 17.015 -11.228 1.00 43.44 H new ATOM 0 HE2 TYR A 86 -5.040 21.260 -10.881 1.00 1.42 H new ATOM 0 HH TYR A 86 -4.278 20.228 -12.683 1.00 31.05 H new ATOM 1366 N CYS A 87 -4.835 20.846 -5.686 1.00 30.42 N ATOM 1367 CA CYS A 87 -3.966 22.017 -5.667 1.00 24.30 C ATOM 1368 C CYS A 87 -2.737 21.768 -4.798 1.00 62.31 C ATOM 1369 O CYS A 87 -1.727 22.460 -4.920 1.00 63.13 O ATOM 1370 CB CYS A 87 -4.730 23.239 -5.154 1.00 43.42 C ATOM 1371 SG CYS A 87 -4.892 23.303 -3.355 1.00 72.44 S ATOM 0 H CYS A 87 -5.757 20.999 -5.278 1.00 30.42 H new ATOM 0 HA CYS A 87 -3.634 22.208 -6.688 1.00 24.30 H new ATOM 0 HB2 CYS A 87 -4.223 24.141 -5.495 1.00 43.42 H new ATOM 0 HB3 CYS A 87 -5.725 23.245 -5.599 1.00 43.42 H new ATOM 0 HG CYS A 87 -5.038 22.098 -2.889 1.00 72.44 H new ATOM 1377 N VAL A 88 -2.832 20.775 -3.919 1.00 75.54 N ATOM 1378 CA VAL A 88 -1.730 20.435 -3.027 1.00 24.41 C ATOM 1379 C VAL A 88 -0.633 19.683 -3.773 1.00 21.11 C ATOM 1380 O VAL A 88 0.553 19.857 -3.494 1.00 42.32 O ATOM 1381 CB VAL A 88 -2.211 19.578 -1.842 1.00 41.11 C ATOM 1382 CG1 VAL A 88 -1.057 19.276 -0.898 1.00 12.11 C ATOM 1383 CG2 VAL A 88 -3.345 20.275 -1.106 1.00 40.13 C ATOM 0 H VAL A 88 -3.661 20.192 -3.806 1.00 75.54 H new ATOM 0 HA VAL A 88 -1.329 21.374 -2.646 1.00 24.41 H new ATOM 0 HB VAL A 88 -2.588 18.632 -2.230 1.00 41.11 H new ATOM 0 HG11 VAL A 88 -1.416 18.669 -0.067 1.00 12.11 H new ATOM 0 HG12 VAL A 88 -0.280 18.732 -1.435 1.00 12.11 H new ATOM 0 HG13 VAL A 88 -0.646 20.210 -0.515 1.00 12.11 H new ATOM 0 HG21 VAL A 88 -3.673 19.655 -0.272 1.00 40.13 H new ATOM 0 HG22 VAL A 88 -2.997 21.237 -0.729 1.00 40.13 H new ATOM 0 HG23 VAL A 88 -4.179 20.434 -1.789 1.00 40.13 H new ATOM 1393 N HIS A 89 -1.038 18.847 -4.724 1.00 43.41 N ATOM 1394 CA HIS A 89 -0.090 18.067 -5.512 1.00 42.42 C ATOM 1395 C HIS A 89 0.372 18.852 -6.736 1.00 41.11 C ATOM 1396 O HIS A 89 1.567 18.795 -7.026 1.00 43.53 O ATOM 1397 CB HIS A 89 -0.722 16.745 -5.949 1.00 62.15 C ATOM 1398 CG HIS A 89 -1.092 15.852 -4.805 1.00 55.35 C ATOM 1399 ND1 HIS A 89 -0.251 15.602 -3.741 1.00 21.11 N ATOM 1400 CD2 HIS A 89 -2.223 15.148 -4.561 1.00 24.35 C ATOM 1401 CE1 HIS A 89 -0.848 14.784 -2.894 1.00 40.40 C ATOM 1402 NE2 HIS A 89 -2.046 14.493 -3.368 1.00 2.14 N ATOM 0 H HIS A 89 -2.016 18.692 -4.968 1.00 43.41 H new ATOM 0 HA HIS A 89 0.778 17.856 -4.887 1.00 42.42 H new ATOM 0 HB2 HIS A 89 -1.614 16.956 -6.538 1.00 62.15 H new ATOM 0 HB3 HIS A 89 -0.026 16.217 -6.601 1.00 62.15 H new ATOM 0 HD1 HIS A 89 0.686 15.989 -3.626 1.00 21.11 H new ATOM 0 HD2 HIS A 89 -3.101 15.109 -5.189 1.00 24.35 H new ATOM 0 HE1 HIS A 89 -0.428 14.415 -1.970 1.00 40.40 H new ATOM 1411 N GLN A 90 -0.510 19.559 -7.436 1.00 53.34 N ATOM 1412 CA GLN A 90 -0.115 20.323 -8.612 1.00 24.31 C ATOM 1413 C GLN A 90 0.584 21.618 -8.211 1.00 3.44 C ATOM 1414 O GLN A 90 1.077 22.358 -9.063 1.00 45.25 O ATOM 1415 CB GLN A 90 -1.337 20.636 -9.477 1.00 13.21 C ATOM 1416 CG GLN A 90 -1.388 19.837 -10.770 1.00 11.11 C ATOM 1417 CD GLN A 90 -1.622 20.711 -11.987 1.00 43.32 C ATOM 1418 OE1 GLN A 90 -2.140 21.822 -11.877 1.00 71.00 O ATOM 1419 NE2 GLN A 90 -1.240 20.211 -13.156 1.00 74.21 N ATOM 0 H GLN A 90 -1.503 19.618 -7.208 1.00 53.34 H new ATOM 0 HA GLN A 90 0.584 19.718 -9.189 1.00 24.31 H new ATOM 0 HB2 GLN A 90 -2.240 20.437 -8.901 1.00 13.21 H new ATOM 0 HB3 GLN A 90 -1.340 21.699 -9.716 1.00 13.21 H new ATOM 0 HG2 GLN A 90 -0.452 19.292 -10.893 1.00 11.11 H new ATOM 0 HG3 GLN A 90 -2.183 19.094 -10.703 1.00 11.11 H new ATOM 0 HE21 GLN A 90 -0.815 19.285 -13.200 1.00 74.21 H new ATOM 0 HE22 GLN A 90 -1.372 20.753 -14.010 1.00 74.21 H new ATOM 1428 N ARG A 91 0.621 21.886 -6.910 1.00 44.10 N ATOM 1429 CA ARG A 91 1.258 23.092 -6.395 1.00 32.13 C ATOM 1430 C ARG A 91 0.498 24.339 -6.837 1.00 34.23 C ATOM 1431 O ARG A 91 1.098 25.326 -7.261 1.00 70.41 O ATOM 1432 CB ARG A 91 2.709 23.171 -6.873 1.00 63.34 C ATOM 1433 CG ARG A 91 3.648 23.809 -5.863 1.00 64.42 C ATOM 1434 CD ARG A 91 4.967 24.211 -6.505 1.00 64.30 C ATOM 1435 NE ARG A 91 4.786 25.228 -7.537 1.00 3.11 N ATOM 1436 CZ ARG A 91 5.788 25.911 -8.080 1.00 52.12 C ATOM 1437 NH1 ARG A 91 7.036 25.686 -7.691 1.00 35.33 N ATOM 1438 NH2 ARG A 91 5.543 26.821 -9.015 1.00 42.44 N ATOM 0 H ARG A 91 0.217 21.284 -6.193 1.00 44.10 H new ATOM 0 HA ARG A 91 1.243 23.044 -5.306 1.00 32.13 H new ATOM 0 HB2 ARG A 91 3.063 22.166 -7.101 1.00 63.34 H new ATOM 0 HB3 ARG A 91 2.746 23.740 -7.802 1.00 63.34 H new ATOM 0 HG2 ARG A 91 3.172 24.687 -5.426 1.00 64.42 H new ATOM 0 HG3 ARG A 91 3.837 23.110 -5.048 1.00 64.42 H new ATOM 0 HD2 ARG A 91 5.643 24.589 -5.738 1.00 64.30 H new ATOM 0 HD3 ARG A 91 5.440 23.332 -6.942 1.00 64.30 H new ATOM 0 HE ARG A 91 3.838 25.425 -7.859 1.00 3.11 H new ATOM 0 HH11 ARG A 91 7.228 24.987 -6.973 1.00 35.33 H new ATOM 0 HH12 ARG A 91 7.803 26.212 -8.110 1.00 35.33 H new ATOM 0 HH21 ARG A 91 4.585 26.996 -9.317 1.00 42.44 H new ATOM 0 HH22 ARG A 91 6.313 27.345 -9.431 1.00 42.44 H new ATOM 1452 N ILE A 92 -0.827 24.284 -6.737 1.00 63.13 N ATOM 1453 CA ILE A 92 -1.668 25.410 -7.126 1.00 52.53 C ATOM 1454 C ILE A 92 -2.050 26.254 -5.915 1.00 52.14 C ATOM 1455 O ILE A 92 -2.824 25.821 -5.061 1.00 0.14 O ATOM 1456 CB ILE A 92 -2.952 24.934 -7.831 1.00 12.11 C ATOM 1457 CG1 ILE A 92 -2.603 24.151 -9.097 1.00 13.34 C ATOM 1458 CG2 ILE A 92 -3.844 26.121 -8.164 1.00 41.20 C ATOM 1459 CD1 ILE A 92 -3.724 23.257 -9.583 1.00 31.14 C ATOM 0 H ILE A 92 -1.340 23.473 -6.391 1.00 63.13 H new ATOM 0 HA ILE A 92 -1.085 26.016 -7.819 1.00 52.53 H new ATOM 0 HB ILE A 92 -3.497 24.273 -7.156 1.00 12.11 H new ATOM 0 HG12 ILE A 92 -2.340 24.853 -9.888 1.00 13.34 H new ATOM 0 HG13 ILE A 92 -1.720 23.541 -8.906 1.00 13.34 H new ATOM 0 HG21 ILE A 92 -4.747 25.769 -8.662 1.00 41.20 H new ATOM 0 HG22 ILE A 92 -4.115 26.641 -7.245 1.00 41.20 H new ATOM 0 HG23 ILE A 92 -3.309 26.804 -8.824 1.00 41.20 H new ATOM 0 HD11 ILE A 92 -3.406 22.732 -10.484 1.00 31.14 H new ATOM 0 HD12 ILE A 92 -3.972 22.531 -8.809 1.00 31.14 H new ATOM 0 HD13 ILE A 92 -4.602 23.863 -9.806 1.00 31.14 H new ATOM 1471 N ASP A 93 -1.503 27.463 -5.848 1.00 42.41 N ATOM 1472 CA ASP A 93 -1.787 28.371 -4.743 1.00 14.32 C ATOM 1473 C ASP A 93 -3.285 28.649 -4.640 1.00 45.34 C ATOM 1474 O ASP A 93 -3.954 28.881 -5.646 1.00 53.40 O ATOM 1475 CB ASP A 93 -1.025 29.684 -4.925 1.00 70.55 C ATOM 1476 CG ASP A 93 -0.034 29.938 -3.805 1.00 52.32 C ATOM 1477 OD1 ASP A 93 0.667 28.984 -3.406 1.00 64.42 O ATOM 1478 OD2 ASP A 93 0.040 31.089 -3.329 1.00 63.43 O ATOM 0 H ASP A 93 -0.860 27.837 -6.546 1.00 42.41 H new ATOM 0 HA ASP A 93 -1.459 27.894 -3.820 1.00 14.32 H new ATOM 0 HB2 ASP A 93 -0.495 29.664 -5.877 1.00 70.55 H new ATOM 0 HB3 ASP A 93 -1.735 30.510 -4.972 1.00 70.55 H new ATOM 1483 N VAL A 94 -3.803 28.621 -3.416 1.00 14.13 N ATOM 1484 CA VAL A 94 -5.221 28.869 -3.181 1.00 44.11 C ATOM 1485 C VAL A 94 -5.445 29.535 -1.829 1.00 64.55 C ATOM 1486 O VAL A 94 -5.112 28.973 -0.784 1.00 21.41 O ATOM 1487 CB VAL A 94 -6.036 27.564 -3.240 1.00 34.12 C ATOM 1488 CG1 VAL A 94 -6.221 27.114 -4.681 1.00 53.10 C ATOM 1489 CG2 VAL A 94 -5.362 26.477 -2.416 1.00 62.42 C ATOM 0 H VAL A 94 -3.263 28.429 -2.572 1.00 14.13 H new ATOM 0 HA VAL A 94 -5.561 29.537 -3.972 1.00 44.11 H new ATOM 0 HB VAL A 94 -7.022 27.753 -2.814 1.00 34.12 H new ATOM 0 HG11 VAL A 94 -6.799 26.190 -4.702 1.00 53.10 H new ATOM 0 HG12 VAL A 94 -6.751 27.887 -5.238 1.00 53.10 H new ATOM 0 HG13 VAL A 94 -5.246 26.942 -5.137 1.00 53.10 H new ATOM 0 HG21 VAL A 94 -5.952 25.562 -2.469 1.00 62.42 H new ATOM 0 HG22 VAL A 94 -4.363 26.288 -2.810 1.00 62.42 H new ATOM 0 HG23 VAL A 94 -5.287 26.801 -1.378 1.00 62.42 H new ATOM 1499 N LYS A 95 -6.012 30.737 -1.853 1.00 5.55 N ATOM 1500 CA LYS A 95 -6.283 31.481 -0.629 1.00 3.11 C ATOM 1501 C LYS A 95 -7.340 30.775 0.213 1.00 75.02 C ATOM 1502 O LYS A 95 -7.455 31.018 1.415 1.00 65.40 O ATOM 1503 CB LYS A 95 -6.746 32.901 -0.963 1.00 4.41 C ATOM 1504 CG LYS A 95 -5.655 33.947 -0.814 1.00 40.11 C ATOM 1505 CD LYS A 95 -6.066 35.273 -1.432 1.00 3.32 C ATOM 1506 CE LYS A 95 -6.964 36.068 -0.497 1.00 15.13 C ATOM 1507 NZ LYS A 95 -8.294 36.344 -1.109 1.00 30.30 N ATOM 0 H LYS A 95 -6.293 31.217 -2.708 1.00 5.55 H new ATOM 0 HA LYS A 95 -5.359 31.533 -0.052 1.00 3.11 H new ATOM 0 HB2 LYS A 95 -7.120 32.921 -1.987 1.00 4.41 H new ATOM 0 HB3 LYS A 95 -7.581 33.164 -0.314 1.00 4.41 H new ATOM 0 HG2 LYS A 95 -5.430 34.091 0.243 1.00 40.11 H new ATOM 0 HG3 LYS A 95 -4.741 33.591 -1.289 1.00 40.11 H new ATOM 0 HD2 LYS A 95 -5.176 35.857 -1.668 1.00 3.32 H new ATOM 0 HD3 LYS A 95 -6.587 35.092 -2.372 1.00 3.32 H new ATOM 0 HE2 LYS A 95 -7.099 35.516 0.433 1.00 15.13 H new ATOM 0 HE3 LYS A 95 -6.479 37.010 -0.241 1.00 15.13 H new ATOM 0 HZ1 LYS A 95 -8.877 36.888 -0.441 1.00 30.30 H new ATOM 0 HZ2 LYS A 95 -8.167 36.892 -1.984 1.00 30.30 H new ATOM 0 HZ3 LYS A 95 -8.768 35.445 -1.330 1.00 30.30 H new ATOM 1521 N ASP A 96 -8.111 29.900 -0.424 1.00 61.14 N ATOM 1522 CA ASP A 96 -9.157 29.157 0.268 1.00 54.13 C ATOM 1523 C ASP A 96 -9.783 28.113 -0.653 1.00 62.22 C ATOM 1524 O ASP A 96 -9.469 28.052 -1.843 1.00 74.15 O ATOM 1525 CB ASP A 96 -10.235 30.113 0.782 1.00 13.40 C ATOM 1526 CG ASP A 96 -10.601 31.176 -0.234 1.00 22.14 C ATOM 1527 OD1 ASP A 96 -11.025 30.808 -1.351 1.00 24.53 O ATOM 1528 OD2 ASP A 96 -10.463 32.374 0.086 1.00 23.24 O ATOM 0 H ASP A 96 -8.031 29.688 -1.419 1.00 61.14 H new ATOM 0 HA ASP A 96 -8.703 28.642 1.115 1.00 54.13 H new ATOM 0 HB2 ASP A 96 -11.126 29.543 1.044 1.00 13.40 H new ATOM 0 HB3 ASP A 96 -9.884 30.594 1.695 1.00 13.40 H new ATOM 1533 N THR A 97 -10.667 27.293 -0.095 1.00 61.01 N ATOM 1534 CA THR A 97 -11.334 26.250 -0.865 1.00 72.50 C ATOM 1535 C THR A 97 -12.119 26.843 -2.030 1.00 73.54 C ATOM 1536 O THR A 97 -12.504 26.133 -2.958 1.00 60.21 O ATOM 1537 CB THR A 97 -12.291 25.426 0.017 1.00 74.04 C ATOM 1538 OG1 THR A 97 -11.592 24.923 1.161 1.00 70.41 O ATOM 1539 CG2 THR A 97 -12.889 24.269 -0.768 1.00 44.31 C ATOM 0 H THR A 97 -10.938 27.331 0.888 1.00 61.01 H new ATOM 0 HA THR A 97 -10.553 25.595 -1.252 1.00 72.50 H new ATOM 0 HB THR A 97 -13.100 26.078 0.345 1.00 74.04 H new ATOM 0 HG1 THR A 97 -11.228 25.672 1.677 1.00 70.41 H new ATOM 0 HG21 THR A 97 -13.561 23.702 -0.124 1.00 44.31 H new ATOM 0 HG22 THR A 97 -13.445 24.657 -1.621 1.00 44.31 H new ATOM 0 HG23 THR A 97 -12.090 23.618 -1.122 1.00 44.31 H new ATOM 1547 N LYS A 98 -12.353 28.150 -1.974 1.00 24.31 N ATOM 1548 CA LYS A 98 -13.089 28.842 -3.026 1.00 54.23 C ATOM 1549 C LYS A 98 -12.215 29.048 -4.258 1.00 1.13 C ATOM 1550 O LYS A 98 -12.605 28.699 -5.372 1.00 12.12 O ATOM 1551 CB LYS A 98 -13.599 30.191 -2.517 1.00 72.51 C ATOM 1552 CG LYS A 98 -15.078 30.422 -2.778 1.00 60.01 C ATOM 1553 CD LYS A 98 -15.341 30.757 -4.236 1.00 61.31 C ATOM 1554 CE LYS A 98 -15.391 32.261 -4.462 1.00 41.43 C ATOM 1555 NZ LYS A 98 -16.305 32.624 -5.580 1.00 5.20 N ATOM 0 H LYS A 98 -12.043 28.752 -1.211 1.00 24.31 H new ATOM 0 HA LYS A 98 -13.940 28.222 -3.307 1.00 54.23 H new ATOM 0 HB2 LYS A 98 -13.413 30.259 -1.445 1.00 72.51 H new ATOM 0 HB3 LYS A 98 -13.026 30.988 -2.991 1.00 72.51 H new ATOM 0 HG2 LYS A 98 -15.641 29.530 -2.501 1.00 60.01 H new ATOM 0 HG3 LYS A 98 -15.437 31.235 -2.146 1.00 60.01 H new ATOM 0 HD2 LYS A 98 -14.559 30.320 -4.858 1.00 61.31 H new ATOM 0 HD3 LYS A 98 -16.284 30.309 -4.549 1.00 61.31 H new ATOM 0 HE2 LYS A 98 -15.721 32.755 -3.548 1.00 41.43 H new ATOM 0 HE3 LYS A 98 -14.388 32.629 -4.679 1.00 41.43 H new ATOM 0 HZ1 LYS A 98 -16.311 33.657 -5.702 1.00 5.20 H new ATOM 0 HZ2 LYS A 98 -15.976 32.174 -6.458 1.00 5.20 H new ATOM 0 HZ3 LYS A 98 -17.267 32.295 -5.362 1.00 5.20 H new ATOM 1569 N GLU A 99 -11.031 29.615 -4.050 1.00 32.12 N ATOM 1570 CA GLU A 99 -10.102 29.867 -5.145 1.00 3.25 C ATOM 1571 C GLU A 99 -9.601 28.556 -5.746 1.00 34.14 C ATOM 1572 O GLU A 99 -9.114 28.524 -6.876 1.00 72.44 O ATOM 1573 CB GLU A 99 -8.917 30.702 -4.657 1.00 51.24 C ATOM 1574 CG GLU A 99 -8.520 31.815 -5.613 1.00 15.34 C ATOM 1575 CD GLU A 99 -9.525 32.950 -5.635 1.00 71.40 C ATOM 1576 OE1 GLU A 99 -9.535 33.750 -4.676 1.00 74.11 O ATOM 1577 OE2 GLU A 99 -10.300 33.039 -6.610 1.00 75.03 O ATOM 0 H GLU A 99 -10.693 29.908 -3.134 1.00 32.12 H new ATOM 0 HA GLU A 99 -10.634 30.422 -5.918 1.00 3.25 H new ATOM 0 HB2 GLU A 99 -9.165 31.137 -3.689 1.00 51.24 H new ATOM 0 HB3 GLU A 99 -8.061 30.046 -4.502 1.00 51.24 H new ATOM 0 HG2 GLU A 99 -7.543 32.205 -5.326 1.00 15.34 H new ATOM 0 HG3 GLU A 99 -8.417 31.406 -6.618 1.00 15.34 H new ATOM 1584 N ALA A 100 -9.725 27.476 -4.981 1.00 60.15 N ATOM 1585 CA ALA A 100 -9.287 26.162 -5.437 1.00 72.53 C ATOM 1586 C ALA A 100 -10.263 25.581 -6.454 1.00 10.23 C ATOM 1587 O ALA A 100 -9.885 24.764 -7.295 1.00 73.22 O ATOM 1588 CB ALA A 100 -9.130 25.219 -4.254 1.00 72.21 C ATOM 0 H ALA A 100 -10.125 27.485 -4.043 1.00 60.15 H new ATOM 0 HA ALA A 100 -8.320 26.277 -5.926 1.00 72.53 H new ATOM 0 HB1 ALA A 100 -8.803 24.242 -4.609 1.00 72.21 H new ATOM 0 HB2 ALA A 100 -8.389 25.622 -3.564 1.00 72.21 H new ATOM 0 HB3 ALA A 100 -10.086 25.117 -3.741 1.00 72.21 H new ATOM 1594 N LEU A 101 -11.519 26.006 -6.372 1.00 61.14 N ATOM 1595 CA LEU A 101 -12.550 25.527 -7.286 1.00 52.54 C ATOM 1596 C LEU A 101 -12.620 26.400 -8.534 1.00 35.23 C ATOM 1597 O LEU A 101 -12.848 25.905 -9.637 1.00 34.55 O ATOM 1598 CB LEU A 101 -13.911 25.507 -6.585 1.00 24.12 C ATOM 1599 CG LEU A 101 -14.805 24.305 -6.890 1.00 2.44 C ATOM 1600 CD1 LEU A 101 -15.010 24.159 -8.391 1.00 51.34 C ATOM 1601 CD2 LEU A 101 -14.207 23.033 -6.306 1.00 34.04 C ATOM 0 H LEU A 101 -11.848 26.681 -5.682 1.00 61.14 H new ATOM 0 HA LEU A 101 -12.290 24.513 -7.590 1.00 52.54 H new ATOM 0 HB2 LEU A 101 -13.744 25.546 -5.509 1.00 24.12 H new ATOM 0 HB3 LEU A 101 -14.451 26.414 -6.857 1.00 24.12 H new ATOM 0 HG LEU A 101 -15.777 24.473 -6.425 1.00 2.44 H new ATOM 0 HD11 LEU A 101 -15.649 23.298 -8.589 1.00 51.34 H new ATOM 0 HD12 LEU A 101 -15.483 25.060 -8.783 1.00 51.34 H new ATOM 0 HD13 LEU A 101 -14.045 24.014 -8.878 1.00 51.34 H new ATOM 0 HD21 LEU A 101 -14.857 22.188 -6.533 1.00 34.04 H new ATOM 0 HD22 LEU A 101 -13.223 22.861 -6.741 1.00 34.04 H new ATOM 0 HD23 LEU A 101 -14.113 23.138 -5.225 1.00 34.04 H new ATOM 1613 N ASP A 102 -12.423 27.701 -8.351 1.00 24.24 N ATOM 1614 CA ASP A 102 -12.460 28.643 -9.463 1.00 63.53 C ATOM 1615 C ASP A 102 -11.277 28.425 -10.402 1.00 54.40 C ATOM 1616 O ASP A 102 -11.364 28.694 -11.600 1.00 62.13 O ATOM 1617 CB ASP A 102 -12.453 30.082 -8.941 1.00 11.22 C ATOM 1618 CG ASP A 102 -13.744 30.815 -9.245 1.00 14.24 C ATOM 1619 OD1 ASP A 102 -14.817 30.325 -8.831 1.00 2.51 O ATOM 1620 OD2 ASP A 102 -13.684 31.878 -9.897 1.00 42.43 O ATOM 0 H ASP A 102 -12.236 28.127 -7.443 1.00 24.24 H new ATOM 0 HA ASP A 102 -13.380 28.470 -10.021 1.00 63.53 H new ATOM 0 HB2 ASP A 102 -12.289 30.074 -7.863 1.00 11.22 H new ATOM 0 HB3 ASP A 102 -11.618 30.623 -9.387 1.00 11.22 H new ATOM 1625 N LYS A 103 -10.173 27.935 -9.849 1.00 71.10 N ATOM 1626 CA LYS A 103 -8.971 27.679 -10.635 1.00 74.32 C ATOM 1627 C LYS A 103 -9.183 26.504 -11.584 1.00 20.21 C ATOM 1628 O LYS A 103 -8.538 26.413 -12.628 1.00 24.34 O ATOM 1629 CB LYS A 103 -7.784 27.397 -9.712 1.00 4.22 C ATOM 1630 CG LYS A 103 -7.055 28.650 -9.257 1.00 13.44 C ATOM 1631 CD LYS A 103 -6.207 29.237 -10.373 1.00 64.43 C ATOM 1632 CE LYS A 103 -5.364 30.401 -9.877 1.00 23.52 C ATOM 1633 NZ LYS A 103 -5.539 31.614 -10.725 1.00 43.01 N ATOM 0 H LYS A 103 -10.085 27.707 -8.859 1.00 71.10 H new ATOM 0 HA LYS A 103 -8.758 28.568 -11.228 1.00 74.32 H new ATOM 0 HB2 LYS A 103 -8.137 26.854 -8.835 1.00 4.22 H new ATOM 0 HB3 LYS A 103 -7.080 26.745 -10.229 1.00 4.22 H new ATOM 0 HG2 LYS A 103 -7.779 29.392 -8.920 1.00 13.44 H new ATOM 0 HG3 LYS A 103 -6.421 28.413 -8.403 1.00 13.44 H new ATOM 0 HD2 LYS A 103 -5.557 28.464 -10.783 1.00 64.43 H new ATOM 0 HD3 LYS A 103 -6.853 29.573 -11.184 1.00 64.43 H new ATOM 0 HE2 LYS A 103 -5.637 30.635 -8.848 1.00 23.52 H new ATOM 0 HE3 LYS A 103 -4.313 30.111 -9.870 1.00 23.52 H new ATOM 0 HZ1 LYS A 103 -4.948 32.385 -10.354 1.00 43.01 H new ATOM 0 HZ2 LYS A 103 -5.254 31.399 -11.702 1.00 43.01 H new ATOM 0 HZ3 LYS A 103 -6.537 31.906 -10.712 1.00 43.01 H new ATOM 1647 N ILE A 104 -10.091 25.607 -11.215 1.00 52.43 N ATOM 1648 CA ILE A 104 -10.389 24.439 -12.034 1.00 23.03 C ATOM 1649 C ILE A 104 -11.688 24.629 -12.809 1.00 0.42 C ATOM 1650 O ILE A 104 -11.935 23.943 -13.801 1.00 53.22 O ATOM 1651 CB ILE A 104 -10.495 23.163 -11.179 1.00 35.21 C ATOM 1652 CG1 ILE A 104 -9.208 22.949 -10.380 1.00 45.31 C ATOM 1653 CG2 ILE A 104 -10.785 21.957 -12.061 1.00 72.15 C ATOM 1654 CD1 ILE A 104 -9.349 21.936 -9.266 1.00 51.42 C ATOM 0 H ILE A 104 -10.633 25.667 -10.353 1.00 52.43 H new ATOM 0 HA ILE A 104 -9.563 24.327 -12.736 1.00 23.03 H new ATOM 0 HB ILE A 104 -11.320 23.282 -10.477 1.00 35.21 H new ATOM 0 HG12 ILE A 104 -8.419 22.624 -11.058 1.00 45.31 H new ATOM 0 HG13 ILE A 104 -8.891 23.902 -9.956 1.00 45.31 H new ATOM 0 HG21 ILE A 104 -10.857 21.063 -11.442 1.00 72.15 H new ATOM 0 HG22 ILE A 104 -11.726 22.110 -12.589 1.00 72.15 H new ATOM 0 HG23 ILE A 104 -9.979 21.833 -12.785 1.00 72.15 H new ATOM 0 HD11 ILE A 104 -8.398 21.836 -8.743 1.00 51.42 H new ATOM 0 HD12 ILE A 104 -10.115 22.269 -8.566 1.00 51.42 H new ATOM 0 HD13 ILE A 104 -9.636 20.972 -9.685 1.00 51.42 H new ATOM 1666 N GLU A 105 -12.513 25.565 -12.352 1.00 53.14 N ATOM 1667 CA GLU A 105 -13.787 25.844 -13.003 1.00 52.01 C ATOM 1668 C GLU A 105 -13.623 26.909 -14.084 1.00 4.45 C ATOM 1669 O GLU A 105 -14.196 26.801 -15.168 1.00 74.24 O ATOM 1670 CB GLU A 105 -14.822 26.302 -11.974 1.00 71.30 C ATOM 1671 CG GLU A 105 -15.646 25.165 -11.393 1.00 72.24 C ATOM 1672 CD GLU A 105 -16.576 24.538 -12.412 1.00 1.35 C ATOM 1673 OE1 GLU A 105 -16.123 23.646 -13.160 1.00 62.31 O ATOM 1674 OE2 GLU A 105 -17.759 24.938 -12.463 1.00 64.33 O ATOM 0 H GLU A 105 -12.322 26.143 -11.534 1.00 53.14 H new ATOM 0 HA GLU A 105 -14.135 24.924 -13.472 1.00 52.01 H new ATOM 0 HB2 GLU A 105 -14.311 26.821 -11.163 1.00 71.30 H new ATOM 0 HB3 GLU A 105 -15.492 27.023 -12.441 1.00 71.30 H new ATOM 0 HG2 GLU A 105 -14.976 24.400 -10.999 1.00 72.24 H new ATOM 0 HG3 GLU A 105 -16.232 25.538 -10.553 1.00 72.24 H new ATOM 1681 N GLU A 106 -12.836 27.936 -13.780 1.00 63.24 N ATOM 1682 CA GLU A 106 -12.597 29.021 -14.725 1.00 53.03 C ATOM 1683 C GLU A 106 -12.116 28.478 -16.067 1.00 13.22 C ATOM 1684 O GLU A 106 -12.471 29.001 -17.123 1.00 52.51 O ATOM 1685 CB GLU A 106 -11.567 30.002 -14.160 1.00 4.44 C ATOM 1686 CG GLU A 106 -11.123 31.058 -15.157 1.00 21.14 C ATOM 1687 CD GLU A 106 -11.099 32.452 -14.559 1.00 13.41 C ATOM 1688 OE1 GLU A 106 -10.518 32.619 -13.467 1.00 50.01 O ATOM 1689 OE2 GLU A 106 -11.664 33.374 -15.184 1.00 42.32 O ATOM 0 H GLU A 106 -12.353 28.040 -12.887 1.00 63.24 H new ATOM 0 HA GLU A 106 -13.539 29.546 -14.882 1.00 53.03 H new ATOM 0 HB2 GLU A 106 -11.989 30.495 -13.285 1.00 4.44 H new ATOM 0 HB3 GLU A 106 -10.694 29.444 -13.821 1.00 4.44 H new ATOM 0 HG2 GLU A 106 -10.128 30.808 -15.526 1.00 21.14 H new ATOM 0 HG3 GLU A 106 -11.794 31.047 -16.016 1.00 21.14 H new ATOM 1696 N GLU A 107 -11.306 27.425 -16.017 1.00 12.40 N ATOM 1697 CA GLU A 107 -10.775 26.812 -17.229 1.00 51.43 C ATOM 1698 C GLU A 107 -11.905 26.318 -18.128 1.00 2.13 C ATOM 1699 O GLU A 107 -11.747 26.227 -19.345 1.00 12.44 O ATOM 1700 CB GLU A 107 -9.846 25.648 -16.874 1.00 73.54 C ATOM 1701 CG GLU A 107 -8.371 25.975 -17.043 1.00 52.32 C ATOM 1702 CD GLU A 107 -7.926 25.927 -18.491 1.00 23.52 C ATOM 1703 OE1 GLU A 107 -8.590 26.562 -19.337 1.00 4.55 O ATOM 1704 OE2 GLU A 107 -6.912 25.256 -18.778 1.00 72.53 O ATOM 0 H GLU A 107 -11.003 26.979 -15.151 1.00 12.40 H new ATOM 0 HA GLU A 107 -10.207 27.569 -17.770 1.00 51.43 H new ATOM 0 HB2 GLU A 107 -10.028 25.351 -15.841 1.00 73.54 H new ATOM 0 HB3 GLU A 107 -10.094 24.791 -17.501 1.00 73.54 H new ATOM 0 HG2 GLU A 107 -8.174 26.968 -16.639 1.00 52.32 H new ATOM 0 HG3 GLU A 107 -7.777 25.270 -16.461 1.00 52.32 H new ATOM 1711 N GLN A 108 -13.042 25.999 -17.519 1.00 75.40 N ATOM 1712 CA GLN A 108 -14.197 25.513 -18.264 1.00 72.01 C ATOM 1713 C GLN A 108 -15.210 26.631 -18.487 1.00 33.44 C ATOM 1714 O GLN A 108 -15.925 26.644 -19.489 1.00 3.21 O ATOM 1715 CB GLN A 108 -14.859 24.351 -17.521 1.00 71.15 C ATOM 1716 CG GLN A 108 -15.885 23.600 -18.354 1.00 23.22 C ATOM 1717 CD GLN A 108 -15.738 22.096 -18.243 1.00 63.21 C ATOM 1718 OE1 GLN A 108 -16.684 21.393 -17.886 1.00 70.13 O ATOM 1719 NE2 GLN A 108 -14.549 21.593 -18.551 1.00 43.34 N ATOM 0 H GLN A 108 -13.188 26.068 -16.512 1.00 75.40 H new ATOM 0 HA GLN A 108 -13.849 25.162 -19.236 1.00 72.01 H new ATOM 0 HB2 GLN A 108 -14.088 23.653 -17.195 1.00 71.15 H new ATOM 0 HB3 GLN A 108 -15.343 24.734 -16.623 1.00 71.15 H new ATOM 0 HG2 GLN A 108 -16.887 23.888 -18.036 1.00 23.22 H new ATOM 0 HG3 GLN A 108 -15.785 23.895 -19.399 1.00 23.22 H new ATOM 0 HE21 GLN A 108 -13.793 22.213 -18.842 1.00 43.34 H new ATOM 0 HE22 GLN A 108 -14.391 20.587 -18.497 1.00 43.34 H new ATOM 1728 N ASN A 109 -15.267 27.569 -17.547 1.00 31.05 N ATOM 1729 CA ASN A 109 -16.194 28.691 -17.641 1.00 30.24 C ATOM 1730 C ASN A 109 -15.818 29.611 -18.799 1.00 60.31 C ATOM 1731 O ASN A 109 -16.686 30.185 -19.458 1.00 3.34 O ATOM 1732 CB ASN A 109 -16.207 29.481 -16.331 1.00 25.31 C ATOM 1733 CG ASN A 109 -16.997 28.783 -15.242 1.00 13.33 C ATOM 1734 OD1 ASN A 109 -18.041 28.185 -15.505 1.00 73.04 O ATOM 1735 ND2 ASN A 109 -16.502 28.855 -14.012 1.00 54.11 N ATOM 0 H ASN A 109 -14.682 27.574 -16.711 1.00 31.05 H new ATOM 0 HA ASN A 109 -17.191 28.291 -17.826 1.00 30.24 H new ATOM 0 HB2 ASN A 109 -15.182 29.633 -15.992 1.00 25.31 H new ATOM 0 HB3 ASN A 109 -16.634 30.468 -16.510 1.00 25.31 H new ATOM 0 HD21 ASN A 109 -16.990 28.404 -13.239 1.00 54.11 H new ATOM 0 HD22 ASN A 109 -15.633 29.362 -13.841 1.00 54.11 H new ATOM 1742 N LYS A 110 -14.519 29.746 -19.042 1.00 33.23 N ATOM 1743 CA LYS A 110 -14.026 30.595 -20.121 1.00 13.43 C ATOM 1744 C LYS A 110 -14.664 30.207 -21.452 1.00 71.32 C ATOM 1745 O LYS A 110 -14.922 31.062 -22.300 1.00 55.22 O ATOM 1746 CB LYS A 110 -12.503 30.491 -20.225 1.00 52.32 C ATOM 1747 CG LYS A 110 -11.772 31.701 -19.669 1.00 15.51 C ATOM 1748 CD LYS A 110 -11.643 32.800 -20.710 1.00 12.04 C ATOM 1749 CE LYS A 110 -11.879 34.174 -20.102 1.00 75.34 C ATOM 1750 NZ LYS A 110 -10.826 34.532 -19.113 1.00 41.31 N ATOM 0 H LYS A 110 -13.788 29.278 -18.506 1.00 33.23 H new ATOM 0 HA LYS A 110 -14.299 31.625 -19.893 1.00 13.43 H new ATOM 0 HB2 LYS A 110 -12.171 29.600 -19.693 1.00 52.32 H new ATOM 0 HB3 LYS A 110 -12.227 30.359 -21.271 1.00 52.32 H new ATOM 0 HG2 LYS A 110 -12.307 32.083 -18.800 1.00 15.51 H new ATOM 0 HG3 LYS A 110 -10.781 31.403 -19.328 1.00 15.51 H new ATOM 0 HD2 LYS A 110 -10.649 32.764 -21.157 1.00 12.04 H new ATOM 0 HD3 LYS A 110 -12.360 32.628 -21.513 1.00 12.04 H new ATOM 0 HE2 LYS A 110 -11.902 34.922 -20.894 1.00 75.34 H new ATOM 0 HE3 LYS A 110 -12.855 34.193 -19.616 1.00 75.34 H new ATOM 0 HZ1 LYS A 110 -11.023 35.475 -18.722 1.00 41.31 H new ATOM 0 HZ2 LYS A 110 -10.820 33.832 -18.343 1.00 41.31 H new ATOM 0 HZ3 LYS A 110 -9.898 34.539 -19.582 1.00 41.31 H new ATOM 1764 N SER A 111 -14.918 28.915 -21.628 1.00 52.05 N ATOM 1765 CA SER A 111 -15.524 28.415 -22.856 1.00 41.41 C ATOM 1766 C SER A 111 -17.045 28.514 -22.791 1.00 3.45 C ATOM 1767 O SER A 111 -17.719 28.572 -23.819 1.00 73.32 O ATOM 1768 CB SER A 111 -15.105 26.963 -23.102 1.00 72.22 C ATOM 1769 OG SER A 111 -16.182 26.204 -23.624 1.00 70.50 O ATOM 0 H SER A 111 -14.713 28.195 -20.935 1.00 52.05 H new ATOM 0 HA SER A 111 -15.173 29.032 -23.683 1.00 41.41 H new ATOM 0 HB2 SER A 111 -14.266 26.936 -23.797 1.00 72.22 H new ATOM 0 HB3 SER A 111 -14.760 26.517 -22.169 1.00 72.22 H new ATOM 0 HG SER A 111 -15.889 25.281 -23.774 1.00 70.50 H new ATOM 1775 N LYS A 112 -17.578 28.531 -21.574 1.00 31.33 N ATOM 1776 CA LYS A 112 -19.019 28.624 -21.372 1.00 31.14 C ATOM 1777 C LYS A 112 -19.500 30.062 -21.537 1.00 12.24 C ATOM 1778 O LYS A 112 -20.218 30.382 -22.486 1.00 44.23 O ATOM 1779 CB LYS A 112 -19.394 28.106 -19.982 1.00 41.34 C ATOM 1780 CG LYS A 112 -20.663 27.271 -19.964 1.00 2.14 C ATOM 1781 CD LYS A 112 -20.523 26.063 -19.054 1.00 45.23 C ATOM 1782 CE LYS A 112 -21.378 24.900 -19.535 1.00 61.32 C ATOM 1783 NZ LYS A 112 -22.160 24.291 -18.423 1.00 33.15 N ATOM 0 H LYS A 112 -17.034 28.482 -20.713 1.00 31.33 H new ATOM 0 HA LYS A 112 -19.507 28.007 -22.127 1.00 31.14 H new ATOM 0 HB2 LYS A 112 -18.570 27.508 -19.592 1.00 41.34 H new ATOM 0 HB3 LYS A 112 -19.518 28.954 -19.309 1.00 41.34 H new ATOM 0 HG2 LYS A 112 -21.499 27.885 -19.629 1.00 2.14 H new ATOM 0 HG3 LYS A 112 -20.896 26.940 -20.976 1.00 2.14 H new ATOM 0 HD2 LYS A 112 -19.478 25.756 -19.014 1.00 45.23 H new ATOM 0 HD3 LYS A 112 -20.814 26.335 -18.039 1.00 45.23 H new ATOM 0 HE2 LYS A 112 -22.060 25.247 -20.311 1.00 61.32 H new ATOM 0 HE3 LYS A 112 -20.739 24.142 -19.988 1.00 61.32 H new ATOM 0 HZ1 LYS A 112 -22.730 23.502 -18.791 1.00 33.15 H new ATOM 0 HZ2 LYS A 112 -21.509 23.937 -17.694 1.00 33.15 H new ATOM 0 HZ3 LYS A 112 -22.789 25.008 -18.007 1.00 33.15 H new ATOM 1797 N LYS A 113 -19.101 30.925 -20.610 1.00 21.32 N ATOM 1798 CA LYS A 113 -19.488 32.329 -20.654 1.00 70.51 C ATOM 1799 C LYS A 113 -19.277 32.910 -22.049 1.00 15.51 C ATOM 1800 O LYS A 113 -20.035 33.770 -22.496 1.00 25.30 O ATOM 1801 CB LYS A 113 -18.686 33.134 -19.629 1.00 44.41 C ATOM 1802 CG LYS A 113 -19.528 34.107 -18.823 1.00 51.20 C ATOM 1803 CD LYS A 113 -19.554 33.735 -17.350 1.00 24.10 C ATOM 1804 CE LYS A 113 -20.748 32.854 -17.017 1.00 12.35 C ATOM 1805 NZ LYS A 113 -21.659 33.502 -16.034 1.00 22.22 N ATOM 0 H LYS A 113 -18.509 30.676 -19.818 1.00 21.32 H new ATOM 0 HA LYS A 113 -20.548 32.394 -20.409 1.00 70.51 H new ATOM 0 HB2 LYS A 113 -18.190 32.444 -18.946 1.00 44.41 H new ATOM 0 HB3 LYS A 113 -17.903 33.688 -20.147 1.00 44.41 H new ATOM 0 HG2 LYS A 113 -19.130 35.115 -18.938 1.00 51.20 H new ATOM 0 HG3 LYS A 113 -20.545 34.120 -19.214 1.00 51.20 H new ATOM 0 HD2 LYS A 113 -18.633 33.214 -17.089 1.00 24.10 H new ATOM 0 HD3 LYS A 113 -19.590 34.641 -16.746 1.00 24.10 H new ATOM 0 HE2 LYS A 113 -21.300 32.630 -17.930 1.00 12.35 H new ATOM 0 HE3 LYS A 113 -20.397 31.904 -16.615 1.00 12.35 H new ATOM 0 HZ1 LYS A 113 -22.460 32.870 -15.834 1.00 22.22 H new ATOM 0 HZ2 LYS A 113 -21.140 33.693 -15.153 1.00 22.22 H new ATOM 0 HZ3 LYS A 113 -22.014 34.397 -16.427 1.00 22.22 H new ATOM 1819 N LYS A 114 -18.244 32.430 -22.733 1.00 24.31 N ATOM 1820 CA LYS A 114 -17.933 32.899 -24.079 1.00 13.21 C ATOM 1821 C LYS A 114 -19.165 32.831 -24.975 1.00 72.30 C ATOM 1822 O LYS A 114 -19.510 33.804 -25.646 1.00 14.11 O ATOM 1823 CB LYS A 114 -16.803 32.062 -24.683 1.00 30.32 C ATOM 1824 CG LYS A 114 -15.600 32.885 -25.113 1.00 53.14 C ATOM 1825 CD LYS A 114 -14.886 33.494 -23.917 1.00 52.42 C ATOM 1826 CE LYS A 114 -14.726 34.998 -24.069 1.00 22.24 C ATOM 1827 NZ LYS A 114 -14.572 35.676 -22.752 1.00 23.22 N ATOM 0 H LYS A 114 -17.608 31.716 -22.378 1.00 24.31 H new ATOM 0 HA LYS A 114 -17.611 33.938 -24.011 1.00 13.21 H new ATOM 0 HB2 LYS A 114 -16.482 31.319 -23.953 1.00 30.32 H new ATOM 0 HB3 LYS A 114 -17.187 31.517 -25.545 1.00 30.32 H new ATOM 0 HG2 LYS A 114 -14.907 32.255 -25.670 1.00 53.14 H new ATOM 0 HG3 LYS A 114 -15.923 33.678 -25.788 1.00 53.14 H new ATOM 0 HD2 LYS A 114 -15.447 33.277 -23.008 1.00 52.42 H new ATOM 0 HD3 LYS A 114 -13.905 33.032 -23.804 1.00 52.42 H new ATOM 0 HE2 LYS A 114 -13.856 35.210 -24.690 1.00 22.24 H new ATOM 0 HE3 LYS A 114 -15.594 35.405 -24.587 1.00 22.24 H new ATOM 0 HZ1 LYS A 114 -14.466 36.700 -22.899 1.00 23.22 H new ATOM 0 HZ2 LYS A 114 -15.414 35.496 -22.168 1.00 23.22 H new ATOM 0 HZ3 LYS A 114 -13.729 35.306 -22.268 1.00 23.22 H new ATOM 1841 N ALA A 115 -19.826 31.678 -24.981 1.00 31.13 N ATOM 1842 CA ALA A 115 -21.021 31.487 -25.792 1.00 51.42 C ATOM 1843 C ALA A 115 -22.044 32.588 -25.533 1.00 25.00 C ATOM 1844 O ALA A 115 -22.797 32.970 -26.427 1.00 33.44 O ATOM 1845 CB ALA A 115 -21.633 30.121 -25.517 1.00 44.21 C ATOM 0 H ALA A 115 -19.553 30.862 -24.433 1.00 31.13 H new ATOM 0 HA ALA A 115 -20.729 31.538 -26.841 1.00 51.42 H new ATOM 0 HB1 ALA A 115 -22.525 29.992 -26.130 1.00 44.21 H new ATOM 0 HB2 ALA A 115 -20.910 29.343 -25.760 1.00 44.21 H new ATOM 0 HB3 ALA A 115 -21.903 30.049 -24.463 1.00 44.21 H new ATOM 1851 N GLN A 116 -22.064 33.092 -24.303 1.00 24.31 N ATOM 1852 CA GLN A 116 -22.994 34.150 -23.927 1.00 55.20 C ATOM 1853 C GLN A 116 -22.247 35.410 -23.506 1.00 1.13 C ATOM 1854 O GLN A 116 -22.688 36.135 -22.616 1.00 64.31 O ATOM 1855 CB GLN A 116 -23.903 33.677 -22.790 1.00 44.15 C ATOM 1856 CG GLN A 116 -24.761 32.476 -23.156 1.00 63.24 C ATOM 1857 CD GLN A 116 -26.132 32.521 -22.509 1.00 3.23 C ATOM 1858 OE1 GLN A 116 -27.150 32.323 -23.173 1.00 5.11 O ATOM 1859 NE2 GLN A 116 -26.164 32.781 -21.208 1.00 74.21 N ATOM 0 H GLN A 116 -21.447 32.785 -23.551 1.00 24.31 H new ATOM 0 HA GLN A 116 -23.605 34.388 -24.798 1.00 55.20 H new ATOM 0 HB2 GLN A 116 -23.288 33.424 -21.926 1.00 44.15 H new ATOM 0 HB3 GLN A 116 -24.553 34.499 -22.489 1.00 44.15 H new ATOM 0 HG2 GLN A 116 -24.876 32.432 -24.239 1.00 63.24 H new ATOM 0 HG3 GLN A 116 -24.250 31.563 -22.852 1.00 63.24 H new ATOM 0 HE21 GLN A 116 -25.295 32.939 -20.698 1.00 74.21 H new ATOM 0 HE22 GLN A 116 -27.058 32.823 -20.718 1.00 74.21 H new ATOM 1868 N GLN A 117 -21.113 35.663 -24.152 1.00 51.33 N ATOM 1869 CA GLN A 117 -20.304 36.836 -23.843 1.00 41.10 C ATOM 1870 C GLN A 117 -20.990 38.112 -24.318 1.00 35.14 C ATOM 1871 O GLN A 117 -20.768 39.189 -23.769 1.00 72.24 O ATOM 1872 CB GLN A 117 -18.923 36.713 -24.489 1.00 23.01 C ATOM 1873 CG GLN A 117 -17.816 37.384 -23.692 1.00 25.34 C ATOM 1874 CD GLN A 117 -17.637 38.844 -24.056 1.00 71.31 C ATOM 1875 OE1 GLN A 117 -18.246 39.726 -23.448 1.00 32.13 O ATOM 1876 NE2 GLN A 117 -16.800 39.110 -25.051 1.00 13.55 N ATOM 0 H GLN A 117 -20.734 35.072 -24.892 1.00 51.33 H new ATOM 0 HA GLN A 117 -20.187 36.891 -22.761 1.00 41.10 H new ATOM 0 HB2 GLN A 117 -18.682 35.657 -24.612 1.00 23.01 H new ATOM 0 HB3 GLN A 117 -18.958 37.151 -25.487 1.00 23.01 H new ATOM 0 HG2 GLN A 117 -18.040 37.304 -22.628 1.00 25.34 H new ATOM 0 HG3 GLN A 117 -16.879 36.854 -23.862 1.00 25.34 H new ATOM 0 HE21 GLN A 117 -16.316 38.349 -25.528 1.00 13.55 H new ATOM 0 HE22 GLN A 117 -16.641 40.075 -25.339 1.00 13.55 H new ATOM 1885 N ALA A 118 -21.824 37.981 -25.345 1.00 30.41 N ATOM 1886 CA ALA A 118 -22.545 39.124 -25.894 1.00 44.22 C ATOM 1887 C ALA A 118 -23.932 39.247 -25.274 1.00 75.32 C ATOM 1888 O ALA A 118 -24.336 40.326 -24.844 1.00 34.41 O ATOM 1889 CB ALA A 118 -22.649 39.004 -27.407 1.00 4.14 C ATOM 0 H ALA A 118 -22.017 37.096 -25.813 1.00 30.41 H new ATOM 0 HA ALA A 118 -21.986 40.027 -25.650 1.00 44.22 H new ATOM 0 HB1 ALA A 118 -23.189 39.863 -27.804 1.00 4.14 H new ATOM 0 HB2 ALA A 118 -21.649 38.973 -27.839 1.00 4.14 H new ATOM 0 HB3 ALA A 118 -23.184 38.089 -27.664 1.00 4.14 H new ATOM 1895 N ALA A 119 -24.658 38.135 -25.233 1.00 52.33 N ATOM 1896 CA ALA A 119 -26.001 38.118 -24.665 1.00 4.34 C ATOM 1897 C ALA A 119 -25.957 37.880 -23.159 1.00 25.32 C ATOM 1898 O ALA A 119 -26.295 36.798 -22.682 1.00 2.34 O ATOM 1899 CB ALA A 119 -26.849 37.053 -25.345 1.00 64.33 C ATOM 0 H ALA A 119 -24.339 37.233 -25.587 1.00 52.33 H new ATOM 0 HA ALA A 119 -26.455 39.094 -24.839 1.00 4.34 H new ATOM 0 HB1 ALA A 119 -27.849 37.052 -24.911 1.00 64.33 H new ATOM 0 HB2 ALA A 119 -26.917 37.268 -26.411 1.00 64.33 H new ATOM 0 HB3 ALA A 119 -26.390 36.075 -25.201 1.00 64.33 H new ATOM 1905 N ALA A 120 -25.537 38.899 -22.417 1.00 62.35 N ATOM 1906 CA ALA A 120 -25.450 38.801 -20.965 1.00 31.20 C ATOM 1907 C ALA A 120 -25.352 40.183 -20.326 1.00 12.14 C ATOM 1908 O ALA A 120 -26.245 40.602 -19.590 1.00 50.31 O ATOM 1909 CB ALA A 120 -24.257 37.947 -20.564 1.00 3.12 C ATOM 0 H ALA A 120 -25.252 39.802 -22.797 1.00 62.35 H new ATOM 0 HA ALA A 120 -26.362 38.326 -20.603 1.00 31.20 H new ATOM 0 HB1 ALA A 120 -24.205 37.883 -19.477 1.00 3.12 H new ATOM 0 HB2 ALA A 120 -24.369 36.946 -20.982 1.00 3.12 H new ATOM 0 HB3 ALA A 120 -23.341 38.399 -20.945 1.00 3.12 H new ATOM 1915 N ASP A 121 -24.262 40.885 -20.612 1.00 61.30 N ATOM 1916 CA ASP A 121 -24.047 42.220 -20.065 1.00 33.55 C ATOM 1917 C ASP A 121 -25.090 43.199 -20.596 1.00 33.33 C ATOM 1918 O ASP A 121 -25.875 43.762 -19.832 1.00 20.33 O ATOM 1919 CB ASP A 121 -22.642 42.717 -20.411 1.00 14.13 C ATOM 1920 CG ASP A 121 -22.136 43.752 -19.426 1.00 31.41 C ATOM 1921 OD1 ASP A 121 -22.882 44.711 -19.136 1.00 15.03 O ATOM 1922 OD2 ASP A 121 -20.993 43.604 -18.946 1.00 73.04 O ATOM 0 H ASP A 121 -23.513 40.552 -21.219 1.00 61.30 H new ATOM 0 HA ASP A 121 -24.147 42.162 -18.981 1.00 33.55 H new ATOM 0 HB2 ASP A 121 -21.955 41.871 -20.430 1.00 14.13 H new ATOM 0 HB3 ASP A 121 -22.648 43.146 -21.413 1.00 14.13 H new ATOM 1927 N THR A 122 -25.093 43.398 -21.911 1.00 72.45 N ATOM 1928 CA THR A 122 -26.037 44.310 -22.543 1.00 31.23 C ATOM 1929 C THR A 122 -26.024 45.675 -21.865 1.00 41.25 C ATOM 1930 O THR A 122 -25.166 45.954 -21.027 1.00 30.24 O ATOM 1931 CB THR A 122 -27.471 43.747 -22.510 1.00 45.23 C ATOM 1932 OG1 THR A 122 -28.041 43.936 -21.209 1.00 60.41 O ATOM 1933 CG2 THR A 122 -27.479 42.267 -22.862 1.00 14.23 C ATOM 0 H THR A 122 -24.452 42.939 -22.558 1.00 72.45 H new ATOM 0 HA THR A 122 -25.721 44.420 -23.580 1.00 31.23 H new ATOM 0 HB THR A 122 -28.066 44.283 -23.249 1.00 45.23 H new ATOM 0 HG1 THR A 122 -27.393 43.664 -20.526 1.00 60.41 H new ATOM 0 HG21 THR A 122 -28.502 41.891 -22.832 1.00 14.23 H new ATOM 0 HG22 THR A 122 -27.071 42.129 -23.863 1.00 14.23 H new ATOM 0 HG23 THR A 122 -26.870 41.719 -22.143 1.00 14.23 H new ATOM 1941 N GLY A 123 -26.981 46.523 -22.229 1.00 3.54 N ATOM 1942 CA GLY A 123 -27.060 47.849 -21.645 1.00 12.42 C ATOM 1943 C GLY A 123 -28.379 48.093 -20.940 1.00 52.32 C ATOM 1944 O GLY A 123 -29.134 48.990 -21.313 1.00 43.15 O ATOM 0 H GLY A 123 -27.703 46.315 -22.918 1.00 3.54 H new ATOM 0 HA2 GLY A 123 -26.243 47.980 -20.936 1.00 12.42 H new ATOM 0 HA3 GLY A 123 -26.926 48.596 -22.427 1.00 12.42 H new ATOM 1948 N ASN A 124 -28.660 47.290 -19.918 1.00 64.41 N ATOM 1949 CA ASN A 124 -29.898 47.423 -19.160 1.00 72.14 C ATOM 1950 C ASN A 124 -29.641 47.258 -17.664 1.00 13.33 C ATOM 1951 O ASN A 124 -29.198 46.203 -17.213 1.00 35.15 O ATOM 1952 CB ASN A 124 -30.922 46.387 -19.630 1.00 63.03 C ATOM 1953 CG ASN A 124 -32.350 46.851 -19.424 1.00 34.51 C ATOM 1954 OD1 ASN A 124 -32.881 46.789 -18.314 1.00 11.14 O ATOM 1955 ND2 ASN A 124 -32.980 47.321 -20.495 1.00 52.33 N ATOM 0 H ASN A 124 -28.047 46.541 -19.596 1.00 64.41 H new ATOM 0 HA ASN A 124 -30.296 48.423 -19.334 1.00 72.14 H new ATOM 0 HB2 ASN A 124 -30.761 46.174 -20.687 1.00 63.03 H new ATOM 0 HB3 ASN A 124 -30.765 45.454 -19.090 1.00 63.03 H new ATOM 0 HD21 ASN A 124 -33.943 47.649 -20.417 1.00 52.33 H new ATOM 0 HD22 ASN A 124 -32.501 47.354 -21.395 1.00 52.33 H new ATOM 1962 N ASN A 125 -29.924 48.309 -16.902 1.00 15.31 N ATOM 1963 CA ASN A 125 -29.724 48.281 -15.457 1.00 53.42 C ATOM 1964 C ASN A 125 -30.471 49.427 -14.782 1.00 21.23 C ATOM 1965 O ASN A 125 -30.425 50.568 -15.242 1.00 11.04 O ATOM 1966 CB ASN A 125 -28.233 48.365 -15.126 1.00 0.51 C ATOM 1967 CG ASN A 125 -27.841 47.445 -13.985 1.00 72.31 C ATOM 1968 OD1 ASN A 125 -27.556 46.266 -14.194 1.00 43.45 O ATOM 1969 ND2 ASN A 125 -27.827 47.984 -12.771 1.00 53.53 N ATOM 0 H ASN A 125 -30.292 49.190 -17.260 1.00 15.31 H new ATOM 0 HA ASN A 125 -30.121 47.339 -15.079 1.00 53.42 H new ATOM 0 HB2 ASN A 125 -27.652 48.109 -16.012 1.00 0.51 H new ATOM 0 HB3 ASN A 125 -27.979 49.392 -14.865 1.00 0.51 H new ATOM 0 HD21 ASN A 125 -27.572 47.415 -11.963 1.00 53.53 H new ATOM 0 HD22 ASN A 125 -28.071 48.967 -12.646 1.00 53.53 H new ATOM 1976 N SER A 126 -31.158 49.116 -13.688 1.00 42.40 N ATOM 1977 CA SER A 126 -31.917 50.119 -12.950 1.00 1.24 C ATOM 1978 C SER A 126 -32.157 49.670 -11.512 1.00 11.21 C ATOM 1979 O SER A 126 -31.757 50.347 -10.565 1.00 32.15 O ATOM 1980 CB SER A 126 -33.255 50.387 -13.643 1.00 41.44 C ATOM 1981 OG SER A 126 -33.223 51.610 -14.358 1.00 11.42 O ATOM 0 H SER A 126 -31.205 48.177 -13.293 1.00 42.40 H new ATOM 0 HA SER A 126 -31.334 51.040 -12.932 1.00 1.24 H new ATOM 0 HB2 SER A 126 -33.485 49.569 -14.326 1.00 41.44 H new ATOM 0 HB3 SER A 126 -34.053 50.417 -12.901 1.00 41.44 H new ATOM 0 HG SER A 126 -32.382 51.675 -14.858 1.00 11.42 H new ATOM 1987 N GLN A 127 -32.812 48.524 -11.358 1.00 71.23 N ATOM 1988 CA GLN A 127 -33.106 47.985 -10.036 1.00 13.20 C ATOM 1989 C GLN A 127 -33.479 46.509 -10.121 1.00 54.21 C ATOM 1990 O GLN A 127 -33.874 46.017 -11.178 1.00 73.12 O ATOM 1991 CB GLN A 127 -34.241 48.773 -9.380 1.00 20.21 C ATOM 1992 CG GLN A 127 -33.798 49.594 -8.180 1.00 2.34 C ATOM 1993 CD GLN A 127 -34.702 50.782 -7.919 1.00 60.34 C ATOM 1994 OE1 GLN A 127 -35.781 50.896 -8.503 1.00 64.32 O ATOM 1995 NE2 GLN A 127 -34.268 51.674 -7.037 1.00 71.54 N ATOM 0 H GLN A 127 -33.149 47.951 -12.132 1.00 71.23 H new ATOM 0 HA GLN A 127 -32.208 48.080 -9.425 1.00 13.20 H new ATOM 0 HB2 GLN A 127 -34.686 49.438 -10.120 1.00 20.21 H new ATOM 0 HB3 GLN A 127 -35.020 48.078 -9.067 1.00 20.21 H new ATOM 0 HG2 GLN A 127 -33.778 48.957 -7.296 1.00 2.34 H new ATOM 0 HG3 GLN A 127 -32.779 49.946 -8.342 1.00 2.34 H new ATOM 0 HE21 GLN A 127 -33.368 51.540 -6.577 1.00 71.54 H new ATOM 0 HE22 GLN A 127 -34.835 52.494 -6.820 1.00 71.54 H new ATOM 2004 N VAL A 128 -33.352 45.806 -8.999 1.00 0.34 N ATOM 2005 CA VAL A 128 -33.677 44.385 -8.947 1.00 35.42 C ATOM 2006 C VAL A 128 -33.543 43.843 -7.529 1.00 72.01 C ATOM 2007 O VAL A 128 -32.582 44.149 -6.824 1.00 21.12 O ATOM 2008 CB VAL A 128 -32.771 43.566 -9.886 1.00 74.43 C ATOM 2009 CG1 VAL A 128 -31.319 43.663 -9.444 1.00 33.43 C ATOM 2010 CG2 VAL A 128 -33.226 42.116 -9.934 1.00 33.42 C ATOM 0 H VAL A 128 -33.027 46.197 -8.115 1.00 0.34 H new ATOM 0 HA VAL A 128 -34.712 44.285 -9.275 1.00 35.42 H new ATOM 0 HB VAL A 128 -32.849 43.981 -10.891 1.00 74.43 H new ATOM 0 HG11 VAL A 128 -30.693 43.078 -10.119 1.00 33.43 H new ATOM 0 HG12 VAL A 128 -31.001 44.705 -9.466 1.00 33.43 H new ATOM 0 HG13 VAL A 128 -31.221 43.275 -8.430 1.00 33.43 H new ATOM 0 HG21 VAL A 128 -32.575 41.552 -10.602 1.00 33.42 H new ATOM 0 HG22 VAL A 128 -33.179 41.687 -8.933 1.00 33.42 H new ATOM 0 HG23 VAL A 128 -34.251 42.068 -10.301 1.00 33.42 H new ATOM 2020 N SER A 129 -34.515 43.035 -7.116 1.00 64.22 N ATOM 2021 CA SER A 129 -34.508 42.452 -5.779 1.00 31.20 C ATOM 2022 C SER A 129 -33.504 41.306 -5.692 1.00 13.32 C ATOM 2023 O SER A 129 -33.785 40.187 -6.122 1.00 72.22 O ATOM 2024 CB SER A 129 -35.905 41.950 -5.411 1.00 53.42 C ATOM 2025 OG SER A 129 -36.656 42.962 -4.762 1.00 53.03 O ATOM 0 H SER A 129 -35.317 42.769 -7.688 1.00 64.22 H new ATOM 0 HA SER A 129 -34.211 43.227 -5.073 1.00 31.20 H new ATOM 0 HB2 SER A 129 -36.427 41.626 -6.311 1.00 53.42 H new ATOM 0 HB3 SER A 129 -35.822 41.080 -4.760 1.00 53.42 H new ATOM 0 HG SER A 129 -37.546 42.617 -4.539 1.00 53.03 H new ATOM 2031 N GLN A 130 -32.333 41.594 -5.132 1.00 53.10 N ATOM 2032 CA GLN A 130 -31.287 40.588 -4.989 1.00 60.42 C ATOM 2033 C GLN A 130 -30.718 40.593 -3.574 1.00 71.10 C ATOM 2034 O GLN A 130 -30.462 41.651 -3.001 1.00 11.25 O ATOM 2035 CB GLN A 130 -30.169 40.837 -6.002 1.00 23.55 C ATOM 2036 CG GLN A 130 -29.614 39.565 -6.621 1.00 2.32 C ATOM 2037 CD GLN A 130 -28.103 39.584 -6.739 1.00 64.54 C ATOM 2038 OE1 GLN A 130 -27.510 40.596 -7.117 1.00 13.55 O ATOM 2039 NE2 GLN A 130 -27.468 38.463 -6.413 1.00 74.00 N ATOM 0 H GLN A 130 -32.085 42.515 -4.770 1.00 53.10 H new ATOM 0 HA GLN A 130 -31.729 39.610 -5.180 1.00 60.42 H new ATOM 0 HB2 GLN A 130 -30.546 41.482 -6.795 1.00 23.55 H new ATOM 0 HB3 GLN A 130 -29.359 41.376 -5.511 1.00 23.55 H new ATOM 0 HG2 GLN A 130 -29.917 38.710 -6.017 1.00 2.32 H new ATOM 0 HG3 GLN A 130 -30.050 39.427 -7.610 1.00 2.32 H new ATOM 0 HE21 GLN A 130 -27.998 37.648 -6.105 1.00 74.00 H new ATOM 0 HE22 GLN A 130 -26.451 38.418 -6.471 1.00 74.00 H new ATOM 2048 N ASN A 131 -30.522 39.403 -3.016 1.00 32.12 N ATOM 2049 CA ASN A 131 -29.984 39.270 -1.668 1.00 64.11 C ATOM 2050 C ASN A 131 -28.523 38.829 -1.706 1.00 15.22 C ATOM 2051 O ASN A 131 -28.201 37.759 -2.223 1.00 33.25 O ATOM 2052 CB ASN A 131 -30.810 38.266 -0.863 1.00 53.22 C ATOM 2053 CG ASN A 131 -31.527 38.912 0.307 1.00 73.04 C ATOM 2054 OD1 ASN A 131 -31.980 40.053 0.219 1.00 30.54 O ATOM 2055 ND2 ASN A 131 -31.632 38.183 1.412 1.00 53.30 N ATOM 0 H ASN A 131 -30.728 38.517 -3.477 1.00 32.12 H new ATOM 0 HA ASN A 131 -30.039 40.245 -1.185 1.00 64.11 H new ATOM 0 HB2 ASN A 131 -31.542 37.794 -1.518 1.00 53.22 H new ATOM 0 HB3 ASN A 131 -30.157 37.476 -0.493 1.00 53.22 H new ATOM 0 HD21 ASN A 131 -32.103 38.565 2.232 1.00 53.30 H new ATOM 0 HD22 ASN A 131 -31.242 37.241 1.441 1.00 53.30 H new ATOM 2062 N TYR A 132 -27.646 39.660 -1.156 1.00 41.25 N ATOM 2063 CA TYR A 132 -26.220 39.357 -1.128 1.00 33.31 C ATOM 2064 C TYR A 132 -25.932 38.173 -0.211 1.00 51.34 C ATOM 2065 O TYR A 132 -26.640 37.990 0.779 1.00 52.35 O ATOM 2066 CB TYR A 132 -25.427 40.580 -0.665 1.00 43.22 C ATOM 2067 CG TYR A 132 -25.663 41.811 -1.511 1.00 42.35 C ATOM 2068 CD1 TYR A 132 -25.561 41.757 -2.894 1.00 22.24 C ATOM 2069 CD2 TYR A 132 -25.990 43.027 -0.923 1.00 33.43 C ATOM 2070 CE1 TYR A 132 -25.776 42.880 -3.670 1.00 32.13 C ATOM 2071 CE2 TYR A 132 -26.209 44.155 -1.692 1.00 24.23 C ATOM 2072 CZ TYR A 132 -26.100 44.076 -3.065 1.00 65.12 C ATOM 2073 OH TYR A 132 -26.315 45.197 -3.834 1.00 12.43 O ATOM 0 H TYR A 132 -27.897 40.549 -0.723 1.00 41.25 H new ATOM 0 HA TYR A 132 -25.911 39.093 -2.139 1.00 33.31 H new ATOM 0 HB2 TYR A 132 -25.691 40.804 0.369 1.00 43.22 H new ATOM 0 HB3 TYR A 132 -24.364 40.339 -0.677 1.00 43.22 H new ATOM 0 HD1 TYR A 132 -25.309 40.822 -3.372 1.00 22.24 H new ATOM 0 HD2 TYR A 132 -26.074 43.092 0.152 1.00 33.43 H new ATOM 0 HE1 TYR A 132 -25.691 42.821 -4.745 1.00 32.13 H new ATOM 0 HE2 TYR A 132 -26.464 45.093 -1.221 1.00 24.23 H new ATOM 0 HH TYR A 132 -26.535 45.955 -3.253 1.00 12.43 H new TER 2083 TYR A 132 HETATM 2084 P1 PBU A 300 -16.682 18.268 10.003 1.00 32.44 P HETATM 2085 P4 PBU A 300 -18.781 25.796 6.148 1.00 24.21 P HETATM 2086 P5 PBU A 300 -19.923 22.269 3.839 1.00 2.21 P HETATM 2087 C3' PBU A 300 -17.335 16.304 8.584 1.00 13.14 C HETATM 2088 C2' PBU A 300 -16.064 16.276 7.700 1.00 12.12 C HETATM 2089 O2' PBU A 300 -16.394 15.684 6.453 1.00 43.34 O HETATM 2090 C1' PBU A 300 -14.921 15.464 8.355 1.00 45.32 C HETATM 2091 O1' PBU A 300 -15.447 14.265 8.886 1.00 25.21 O HETATM 2092 C1 PBU A 300 -17.481 20.414 8.168 1.00 2.43 C HETATM 2093 O1 PBU A 300 -17.692 19.138 8.995 1.00 13.11 O HETATM 2094 C2 PBU A 300 -17.273 21.726 8.998 1.00 11.22 C HETATM 2095 O2 PBU A 300 -18.335 21.982 9.912 1.00 2.44 O HETATM 2096 C3 PBU A 300 -17.112 22.942 8.059 1.00 34.35 C HETATM 2097 O3 PBU A 300 -16.933 24.107 8.878 1.00 13.24 O HETATM 2098 C4 PBU A 300 -18.350 23.087 7.090 1.00 0.34 C HETATM 2099 O4 PBU A 300 -18.126 24.263 6.156 1.00 22.21 O HETATM 2100 C5 PBU A 300 -18.513 21.744 6.273 1.00 71.45 C HETATM 2101 O5 PBU A 300 -19.698 21.856 5.419 1.00 73.32 O HETATM 2102 C6 PBU A 300 -18.668 20.505 7.190 1.00 62.10 C HETATM 2103 O6 PBU A 300 -18.699 19.277 6.448 1.00 64.15 O HETATM 2104 C7 PBU A 300 -16.568 16.549 5.345 1.00 62.34 C HETATM 2105 O7 PBU A 300 -17.594 16.524 4.703 1.00 24.13 O HETATM 2106 C8 PBU A 300 -15.452 17.540 4.968 1.00 52.20 C HETATM 2107 C9 PBU A 300 -15.557 17.917 3.478 1.00 72.44 C HETATM 2108 C10 PBU A 300 -14.678 19.149 3.198 1.00 41.33 C HETATM 2109 C11 PBU A 300 -14.965 13.705 10.086 1.00 42.22 C HETATM 2110 O11 PBU A 300 -14.229 12.738 10.150 1.00 20.14 O HETATM 2111 C12 PBU A 300 -15.485 14.373 11.390 1.00 23.14 C HETATM 2112 C13 PBU A 300 -15.455 13.438 12.611 1.00 3.32 C HETATM 2113 C14 PBU A 300 -14.850 14.144 13.836 1.00 45.13 C HETATM 2114 O41 PBU A 300 -17.485 26.601 6.100 1.00 31.24 O HETATM 2115 O42 PBU A 300 -19.611 25.872 4.895 1.00 52.02 O HETATM 2116 O43 PBU A 300 -19.635 25.999 7.388 1.00 3.21 O HETATM 2117 O51 PBU A 300 -21.394 22.636 3.861 1.00 25.11 O HETATM 2118 O52 PBU A 300 -18.922 23.392 3.623 1.00 24.15 O HETATM 2119 O53 PBU A 300 -19.612 20.988 3.100 1.00 13.32 O HETATM 2120 OP1 PBU A 300 -17.063 16.823 9.867 1.00 62.45 O HETATM 2121 OP2 PBU A 300 -15.292 18.594 9.451 1.00 71.25 O HETATM 2122 OP3 PBU A 300 -17.011 18.772 11.383 1.00 34.12 O HETATM 0 H3'2 PBU A 300 -18.102 16.910 8.101 1.00 13.14 H new HETATM 0 H3'1 PBU A 300 -17.737 15.295 8.677 1.00 13.14 H new HETATM 0 H143 PBU A 300 -13.830 14.454 13.610 1.00 45.13 H new HETATM 0 H142 PBU A 300 -15.449 15.020 14.084 1.00 45.13 H new HETATM 0 H141 PBU A 300 -14.842 13.459 14.684 1.00 45.13 H new HETATM 0 H132 PBU A 300 -16.467 13.105 12.843 1.00 3.32 H new HETATM 0 H131 PBU A 300 -14.872 12.547 12.376 1.00 3.32 H new HETATM 0 H122 PBU A 300 -14.881 15.255 11.603 1.00 23.14 H new HETATM 0 H121 PBU A 300 -16.507 14.717 11.230 1.00 23.14 H new HETATM 0 H1'2 PBU A 300 -14.149 15.241 7.619 1.00 45.32 H new HETATM 0 H1'1 PBU A 300 -14.449 16.049 9.144 1.00 45.32 H new HETATM 0 H92 PBU A 300 -15.238 17.080 2.857 1.00 72.44 H new HETATM 0 H91 PBU A 300 -16.594 18.130 3.218 1.00 72.44 H new HETATM 0 H82 PBU A 300 -15.528 18.436 5.584 1.00 52.20 H new HETATM 0 H81 PBU A 300 -14.477 17.096 5.171 1.00 52.20 H new HETATM 0 H6 PBU A 300 -19.613 20.633 7.718 1.00 62.10 H new HETATM 0 H5 PBU A 300 -17.608 21.602 5.682 1.00 71.45 H new HETATM 0 H4 PBU A 300 -19.261 23.271 7.660 1.00 0.34 H new HETATM 0 H3 PBU A 300 -16.242 22.809 7.416 1.00 34.35 H new HETATM 0 H2' PBU A 300 -15.715 17.301 7.572 1.00 12.12 H new HETATM 0 H2 PBU A 300 -16.364 21.574 9.580 1.00 11.22 H new HETATM 0 H13 PBU A 300 -15.018 19.985 3.809 1.00 41.33 H new HETATM 0 H12 PBU A 300 -13.641 18.919 3.442 1.00 41.33 H new HETATM 0 H11 PBU A 300 -14.752 19.417 2.144 1.00 41.33 H new HETATM 0 H1 PBU A 300 -16.532 20.334 7.637 1.00 2.43 H new HETATM 0 H06 PBU A 300 -19.446 19.297 5.813 1.00 64.15 H new HETATM 0 H03 PBU A 300 -16.827 24.896 8.306 1.00 13.24 H new HETATM 0 H02 PBU A 300 -18.430 22.949 10.041 1.00 2.44 H new