USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 ASN : amide:sc= 0.596 K(o=1.6,f=0.15) USER MOD Set 1.2: A 98 SER OG : rot -159:sc= 0.983 USER MOD Set 2.1: A 94 THR OG1 : rot 133:sc= 1.26 USER MOD Set 2.2: A 103 ASN : amide:sc= 1.06 K(o=2.3,f=-1.8) USER MOD Set 3.1: A 79 GLN : amide:sc= 0.143 K(o=-0.42,f=-8.6!) USER MOD Set 3.2: A 80 GLN :FLIP amide:sc= -2.09! C(o=-4.7!,f=-0.42!) USER MOD Set 3.3: A 87 THR OG1 : rot 178:sc= 1.07 USER MOD Set 3.4: A 116 HIS : no HD1:sc= 0.462 K(o=-0.42,f=-3.5) USER MOD Set 4.1: A 61 THR OG1 : rot 95:sc= 1.18 USER MOD Set 4.2: A 75 TYR OH : rot 30:sc= 1.02 USER MOD Set 5.1: A 52 GLN : amide:sc= -0.268 K(o=0.66,f=-4.4!) USER MOD Set 5.2: A 53 GLN : amide:sc= 0.925 K(o=0.66,f=-1.3) USER MOD Set 6.1: A 51 THR OG1 : rot 117:sc= 1.37 USER MOD Set 6.2: A 54 GLN : amide:sc= 0.655 K(o=2,f=0.85) USER MOD Single : A 20 SER OG : rot 10:sc= 0.925 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0216 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0914 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 34 GLN : amide:sc= -0.0299 K(o=-0.03,f=-1.5) USER MOD Single : A 36 ASN : amide:sc= -0.0836 K(o=-0.084,f=-1.7!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 41 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.17) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 153:sc= -0.102 (180deg=-0.443) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 108:sc= 1.28 USER MOD Single : A 71 ASN : amide:sc= 0.22 X(o=0.22,f=-0.1!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 88 GLN : amide:sc= -0.424 K(o=-0.42,f=-9!) USER MOD Single : A 89 GLN : amide:sc= -0.597 K(o=-0.6,f=-1.7) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0747 USER MOD Single : A 92 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 97 SER OG : rot 180:sc= 0.164 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.17 USER MOD Single : A 106 ASN :FLIP amide:sc= -1.12 F(o=-1.7!,f=-1.1) USER MOD Single : A 107 LYS NZ :NH3+ 160:sc= 1.26 (180deg=1.02) USER MOD Single : A 111 SER OG : rot 72:sc= 0.158 USER MOD Single : A 113 ASN : amide:sc= 1.36 K(o=1.4,f=-6.2!) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.011) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HE2:sc= 0.44 K(o=0.44,f=-6.6!) USER MOD Single : A 121 HIS : no HD1:sc=-0.000671 X(o=-0.00067,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 20 11.965 -49.366 10.704 1.00 0.00 N ATOM 2 CA SER A 20 13.155 -48.567 10.344 1.00 0.00 C ATOM 3 C SER A 20 12.902 -47.084 10.586 1.00 0.00 C ATOM 4 O SER A 20 11.748 -46.648 10.658 1.00 0.00 O ATOM 5 CB SER A 20 13.509 -48.810 8.874 1.00 0.00 C ATOM 6 OG SER A 20 12.720 -49.857 8.325 1.00 0.00 O ATOM 0 HA SER A 20 13.990 -48.876 10.973 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.353 -47.895 8.303 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.566 -49.063 8.788 1.00 0.00 H new ATOM 0 HG SER A 20 12.012 -50.100 8.958 1.00 0.00 H new ATOM 14 N SER A 21 13.989 -46.325 10.724 1.00 0.00 N ATOM 15 CA SER A 21 13.934 -44.873 10.888 1.00 0.00 C ATOM 16 C SER A 21 13.102 -44.462 12.103 1.00 0.00 C ATOM 17 O SER A 21 11.975 -43.983 11.968 1.00 0.00 O ATOM 18 CB SER A 21 13.387 -44.209 9.621 1.00 0.00 C ATOM 19 OG SER A 21 13.578 -45.035 8.479 1.00 0.00 O ATOM 0 H SER A 21 14.937 -46.702 10.725 1.00 0.00 H new ATOM 0 HA SER A 21 14.954 -44.530 11.059 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.325 -44.000 9.747 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.884 -43.251 9.467 1.00 0.00 H new ATOM 0 HG SER A 21 13.217 -44.586 7.686 1.00 0.00 H new ATOM 25 N THR A 22 13.666 -44.660 13.286 1.00 0.00 N ATOM 26 CA THR A 22 13.028 -44.219 14.516 1.00 0.00 C ATOM 27 C THR A 22 13.147 -42.706 14.664 1.00 0.00 C ATOM 28 O THR A 22 14.239 -42.175 14.880 1.00 0.00 O ATOM 29 CB THR A 22 13.655 -44.903 15.746 1.00 0.00 C ATOM 30 OG1 THR A 22 13.608 -46.328 15.590 1.00 0.00 O ATOM 31 CG2 THR A 22 12.927 -44.504 17.022 1.00 0.00 C ATOM 0 H THR A 22 14.565 -45.124 13.419 1.00 0.00 H new ATOM 0 HA THR A 22 11.976 -44.498 14.460 1.00 0.00 H new ATOM 0 HB THR A 22 14.693 -44.578 15.824 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.010 -46.756 16.375 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.389 -45.001 17.875 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.989 -43.424 17.154 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.881 -44.802 16.952 1.00 0.00 H new ATOM 39 N LEU A 23 12.023 -42.017 14.524 1.00 0.00 N ATOM 40 CA LEU A 23 11.983 -40.571 14.673 1.00 0.00 C ATOM 41 C LEU A 23 11.067 -40.195 15.829 1.00 0.00 C ATOM 42 O LEU A 23 10.257 -41.011 16.275 1.00 0.00 O ATOM 43 CB LEU A 23 11.505 -39.899 13.379 1.00 0.00 C ATOM 44 CG LEU A 23 10.395 -40.640 12.632 1.00 0.00 C ATOM 45 CD1 LEU A 23 9.078 -39.888 12.750 1.00 0.00 C ATOM 46 CD2 LEU A 23 10.777 -40.830 11.171 1.00 0.00 C ATOM 0 H LEU A 23 11.121 -42.441 14.306 1.00 0.00 H new ATOM 0 HA LEU A 23 12.992 -40.218 14.885 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.153 -38.896 13.618 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.358 -39.786 12.710 1.00 0.00 H new ATOM 0 HG LEU A 23 10.267 -41.623 13.085 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.300 -40.430 12.212 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.801 -39.802 13.801 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.188 -38.892 12.322 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.978 -41.359 10.652 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.930 -39.856 10.705 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.697 -41.411 11.108 1.00 0.00 H new ATOM 58 N GLU A 24 11.196 -38.967 16.308 1.00 0.00 N ATOM 59 CA GLU A 24 10.393 -38.493 17.425 1.00 0.00 C ATOM 60 C GLU A 24 9.194 -37.705 16.918 1.00 0.00 C ATOM 61 O GLU A 24 9.159 -37.288 15.760 1.00 0.00 O ATOM 62 CB GLU A 24 11.238 -37.622 18.360 1.00 0.00 C ATOM 63 CG GLU A 24 12.463 -38.334 18.907 1.00 0.00 C ATOM 64 CD GLU A 24 12.156 -39.168 20.133 1.00 0.00 C ATOM 65 OE1 GLU A 24 11.481 -40.207 19.999 1.00 0.00 O ATOM 66 OE2 GLU A 24 12.593 -38.786 21.241 1.00 0.00 O ATOM 0 H GLU A 24 11.852 -38.278 15.939 1.00 0.00 H new ATOM 0 HA GLU A 24 10.034 -39.358 17.983 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.556 -36.729 17.823 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.618 -37.289 19.193 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.881 -38.976 18.132 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.226 -37.596 19.156 1.00 0.00 H new ATOM 73 N ARG A 25 8.218 -37.499 17.785 1.00 0.00 N ATOM 74 CA ARG A 25 7.021 -36.768 17.416 1.00 0.00 C ATOM 75 C ARG A 25 6.959 -35.442 18.158 1.00 0.00 C ATOM 76 O ARG A 25 6.877 -35.411 19.385 1.00 0.00 O ATOM 77 CB ARG A 25 5.773 -37.596 17.719 1.00 0.00 C ATOM 78 CG ARG A 25 4.608 -37.288 16.794 1.00 0.00 C ATOM 79 CD ARG A 25 4.135 -38.531 16.061 1.00 0.00 C ATOM 80 NE ARG A 25 4.749 -38.657 14.741 1.00 0.00 N ATOM 81 CZ ARG A 25 4.847 -39.801 14.065 1.00 0.00 C ATOM 82 NH1 ARG A 25 4.343 -40.923 14.566 1.00 0.00 N ATOM 83 NH2 ARG A 25 5.439 -39.817 12.876 1.00 0.00 N ATOM 0 H ARG A 25 8.232 -37.829 18.750 1.00 0.00 H new ATOM 0 HA ARG A 25 7.058 -36.570 16.345 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.020 -38.655 17.641 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.467 -37.416 18.750 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.784 -36.870 17.372 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.907 -36.530 16.071 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.370 -39.414 16.656 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.051 -38.498 15.954 1.00 0.00 H new ATOM 0 HE ARG A 25 5.127 -37.814 14.309 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.877 -40.912 15.473 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.421 -41.795 14.043 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.817 -38.955 12.483 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.516 -40.691 12.356 1.00 0.00 H new ATOM 97 N VAL A 26 7.014 -34.350 17.409 1.00 0.00 N ATOM 98 CA VAL A 26 6.941 -33.017 17.989 1.00 0.00 C ATOM 99 C VAL A 26 5.498 -32.666 18.336 1.00 0.00 C ATOM 100 O VAL A 26 4.797 -32.019 17.557 1.00 0.00 O ATOM 101 CB VAL A 26 7.512 -31.941 17.038 1.00 0.00 C ATOM 102 CG1 VAL A 26 8.077 -30.775 17.832 1.00 0.00 C ATOM 103 CG2 VAL A 26 8.577 -32.530 16.120 1.00 0.00 C ATOM 0 H VAL A 26 7.109 -34.362 16.394 1.00 0.00 H new ATOM 0 HA VAL A 26 7.547 -33.029 18.895 1.00 0.00 H new ATOM 0 HB VAL A 26 6.696 -31.574 16.415 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.475 -30.027 17.146 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.287 -30.330 18.437 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.875 -31.131 18.483 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.961 -31.751 15.462 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.393 -32.933 16.720 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.140 -33.328 15.520 1.00 0.00 H new ATOM 113 N VAL A 27 5.059 -33.106 19.503 1.00 0.00 N ATOM 114 CA VAL A 27 3.693 -32.878 19.947 1.00 0.00 C ATOM 115 C VAL A 27 3.503 -31.426 20.381 1.00 0.00 C ATOM 116 O VAL A 27 4.384 -30.832 21.009 1.00 0.00 O ATOM 117 CB VAL A 27 3.324 -33.842 21.103 1.00 0.00 C ATOM 118 CG1 VAL A 27 2.156 -33.320 21.929 1.00 0.00 C ATOM 119 CG2 VAL A 27 3.008 -35.224 20.547 1.00 0.00 C ATOM 0 H VAL A 27 5.633 -33.627 20.165 1.00 0.00 H new ATOM 0 HA VAL A 27 3.026 -33.077 19.108 1.00 0.00 H new ATOM 0 HB VAL A 27 4.185 -33.909 21.768 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.931 -34.026 22.728 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.419 -32.355 22.362 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.281 -33.205 21.289 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.750 -35.895 21.366 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.168 -35.155 19.856 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.880 -35.612 20.021 1.00 0.00 H new ATOM 129 N TYR A 28 2.367 -30.857 20.012 1.00 0.00 N ATOM 130 CA TYR A 28 2.034 -29.493 20.379 1.00 0.00 C ATOM 131 C TYR A 28 0.883 -29.505 21.380 1.00 0.00 C ATOM 132 O TYR A 28 0.048 -30.410 21.362 1.00 0.00 O ATOM 133 CB TYR A 28 1.700 -28.681 19.109 1.00 0.00 C ATOM 134 CG TYR A 28 0.312 -28.068 19.057 1.00 0.00 C ATOM 135 CD1 TYR A 28 -0.787 -28.813 18.645 1.00 0.00 C ATOM 136 CD2 TYR A 28 0.107 -26.736 19.403 1.00 0.00 C ATOM 137 CE1 TYR A 28 -2.047 -28.251 18.583 1.00 0.00 C ATOM 138 CE2 TYR A 28 -1.152 -26.167 19.342 1.00 0.00 C ATOM 139 CZ TYR A 28 -2.224 -26.929 18.933 1.00 0.00 C ATOM 140 OH TYR A 28 -3.480 -26.371 18.873 1.00 0.00 O ATOM 0 H TYR A 28 1.654 -31.326 19.453 1.00 0.00 H new ATOM 0 HA TYR A 28 2.884 -29.009 20.860 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.433 -27.880 19.010 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.821 -29.332 18.243 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.653 -29.848 18.369 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.945 -26.136 19.725 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.890 -28.844 18.262 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.294 -25.131 19.613 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.435 -25.433 19.153 1.00 0.00 H new ATOM 150 N ARG A 29 0.857 -28.521 22.269 1.00 0.00 N ATOM 151 CA ARG A 29 -0.189 -28.438 23.279 1.00 0.00 C ATOM 152 C ARG A 29 -1.377 -27.642 22.757 1.00 0.00 C ATOM 153 O ARG A 29 -1.286 -26.426 22.595 1.00 0.00 O ATOM 154 CB ARG A 29 0.343 -27.786 24.557 1.00 0.00 C ATOM 155 CG ARG A 29 -0.155 -28.452 25.830 1.00 0.00 C ATOM 156 CD ARG A 29 -0.162 -27.481 27.000 1.00 0.00 C ATOM 157 NE ARG A 29 1.191 -27.183 27.470 1.00 0.00 N ATOM 158 CZ ARG A 29 1.488 -26.176 28.294 1.00 0.00 C ATOM 159 NH1 ARG A 29 0.519 -25.436 28.821 1.00 0.00 N ATOM 160 NH2 ARG A 29 2.751 -25.933 28.622 1.00 0.00 N ATOM 0 H ARG A 29 1.547 -27.771 22.311 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.514 -29.453 23.508 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.433 -27.815 24.544 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.052 -26.736 24.568 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.162 -28.838 25.670 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.480 -29.306 26.068 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.654 -26.556 26.701 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.746 -27.903 27.818 1.00 0.00 H new ATOM 0 HE ARG A 29 1.953 -27.780 27.149 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.456 -25.637 28.596 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.749 -24.667 29.450 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.497 -26.517 28.244 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.975 -25.163 29.252 1.00 0.00 H new ATOM 174 N PRO A 30 -2.509 -28.314 22.498 1.00 0.00 N ATOM 175 CA PRO A 30 -3.728 -27.672 22.006 1.00 0.00 C ATOM 176 C PRO A 30 -4.471 -26.931 23.116 1.00 0.00 C ATOM 177 O PRO A 30 -5.665 -27.145 23.341 1.00 0.00 O ATOM 178 CB PRO A 30 -4.577 -28.844 21.474 1.00 0.00 C ATOM 179 CG PRO A 30 -3.716 -30.061 21.592 1.00 0.00 C ATOM 180 CD PRO A 30 -2.699 -29.758 22.651 1.00 0.00 C ATOM 0 HA PRO A 30 -3.513 -26.919 21.248 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.494 -28.957 22.053 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.873 -28.674 20.439 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.311 -30.933 21.863 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.232 -30.288 20.642 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.059 -30.017 23.647 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.772 -30.309 22.494 1.00 0.00 H new ATOM 188 N ASP A 31 -3.755 -26.062 23.815 1.00 0.00 N ATOM 189 CA ASP A 31 -4.342 -25.291 24.897 1.00 0.00 C ATOM 190 C ASP A 31 -4.789 -23.930 24.380 1.00 0.00 C ATOM 191 O ASP A 31 -4.940 -23.752 23.170 1.00 0.00 O ATOM 192 CB ASP A 31 -3.349 -25.128 26.053 1.00 0.00 C ATOM 193 CG ASP A 31 -4.044 -24.995 27.395 1.00 0.00 C ATOM 194 OD1 ASP A 31 -4.382 -23.859 27.787 1.00 0.00 O ATOM 195 OD2 ASP A 31 -4.255 -26.024 28.065 1.00 0.00 O ATOM 0 H ASP A 31 -2.766 -25.874 23.651 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.211 -25.829 25.275 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.679 -25.987 26.077 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.732 -24.247 25.877 1.00 0.00 H new ATOM 200 N ILE A 32 -4.957 -22.976 25.304 1.00 0.00 N ATOM 201 CA ILE A 32 -5.433 -21.626 24.995 1.00 0.00 C ATOM 202 C ILE A 32 -6.507 -21.650 23.909 1.00 0.00 C ATOM 203 O ILE A 32 -7.576 -22.239 24.095 1.00 0.00 O ATOM 204 CB ILE A 32 -4.287 -20.666 24.576 1.00 0.00 C ATOM 205 CG1 ILE A 32 -2.945 -21.391 24.467 1.00 0.00 C ATOM 206 CG2 ILE A 32 -4.175 -19.526 25.570 1.00 0.00 C ATOM 207 CD1 ILE A 32 -2.441 -21.495 23.047 1.00 0.00 C ATOM 0 H ILE A 32 -4.764 -23.123 26.295 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.865 -21.243 25.919 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.533 -20.272 23.590 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.205 -20.866 25.071 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.045 -22.393 24.885 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.369 -18.858 25.268 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.114 -18.973 25.597 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.962 -19.927 26.561 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.486 -22.019 23.038 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.163 -22.046 22.444 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.310 -20.495 22.633 1.00 0.00 H new ATOM 219 N ASN A 33 -6.212 -21.025 22.779 1.00 0.00 N ATOM 220 CA ASN A 33 -7.104 -21.039 21.629 1.00 0.00 C ATOM 221 C ASN A 33 -6.372 -20.502 20.415 1.00 0.00 C ATOM 222 O ASN A 33 -6.242 -21.191 19.400 1.00 0.00 O ATOM 223 CB ASN A 33 -8.361 -20.204 21.891 1.00 0.00 C ATOM 224 CG ASN A 33 -9.475 -20.508 20.906 1.00 0.00 C ATOM 225 OD1 ASN A 33 -9.336 -21.359 20.024 1.00 0.00 O ATOM 226 ND2 ASN A 33 -10.591 -19.816 21.049 1.00 0.00 N ATOM 0 H ASN A 33 -5.352 -20.496 22.633 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.415 -22.068 21.448 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.715 -20.393 22.905 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -8.109 -19.145 21.834 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.376 -19.977 20.418 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.668 -19.120 21.791 1.00 0.00 H new ATOM 233 N GLN A 34 -5.881 -19.269 20.540 1.00 0.00 N ATOM 234 CA GLN A 34 -5.143 -18.607 19.473 1.00 0.00 C ATOM 235 C GLN A 34 -6.023 -18.449 18.237 1.00 0.00 C ATOM 236 O GLN A 34 -7.239 -18.275 18.350 1.00 0.00 O ATOM 237 CB GLN A 34 -3.863 -19.383 19.134 1.00 0.00 C ATOM 238 CG GLN A 34 -2.677 -19.015 20.013 1.00 0.00 C ATOM 239 CD GLN A 34 -2.011 -17.723 19.581 1.00 0.00 C ATOM 240 OE1 GLN A 34 -2.388 -17.124 18.572 1.00 0.00 O ATOM 241 NE2 GLN A 34 -1.015 -17.285 20.338 1.00 0.00 N ATOM 0 H GLN A 34 -5.985 -18.705 21.383 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.854 -17.615 19.819 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.059 -20.451 19.231 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.603 -19.200 18.091 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.011 -18.920 21.046 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.946 -19.823 19.987 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.734 -17.811 21.165 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.530 -16.422 20.093 1.00 0.00 H new ATOM 250 N GLY A 35 -5.410 -18.494 17.065 1.00 0.00 N ATOM 251 CA GLY A 35 -6.162 -18.372 15.835 1.00 0.00 C ATOM 252 C GLY A 35 -6.560 -16.940 15.546 1.00 0.00 C ATOM 253 O GLY A 35 -7.409 -16.680 14.694 1.00 0.00 O ATOM 0 H GLY A 35 -4.404 -18.613 16.944 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.565 -18.755 15.007 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.057 -18.991 15.896 1.00 0.00 H new ATOM 257 N ASN A 36 -5.949 -16.010 16.267 1.00 0.00 N ATOM 258 CA ASN A 36 -6.201 -14.591 16.058 1.00 0.00 C ATOM 259 C ASN A 36 -5.318 -14.079 14.920 1.00 0.00 C ATOM 260 O ASN A 36 -5.525 -14.429 13.756 1.00 0.00 O ATOM 261 CB ASN A 36 -5.928 -13.812 17.354 1.00 0.00 C ATOM 262 CG ASN A 36 -6.628 -12.466 17.390 1.00 0.00 C ATOM 263 OD1 ASN A 36 -7.628 -12.254 16.708 1.00 0.00 O ATOM 264 ND2 ASN A 36 -6.104 -11.546 18.188 1.00 0.00 N ATOM 0 H ASN A 36 -5.274 -16.214 17.004 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.246 -14.442 15.785 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.253 -14.408 18.206 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.854 -13.661 17.462 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.532 -10.622 18.252 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.273 -11.762 18.738 1.00 0.00 H new ATOM 271 N TYR A 37 -4.329 -13.269 15.264 1.00 0.00 N ATOM 272 CA TYR A 37 -3.342 -12.792 14.309 1.00 0.00 C ATOM 273 C TYR A 37 -2.147 -12.242 15.067 1.00 0.00 C ATOM 274 O TYR A 37 -2.116 -12.292 16.296 1.00 0.00 O ATOM 275 CB TYR A 37 -3.921 -11.716 13.375 1.00 0.00 C ATOM 276 CG TYR A 37 -4.918 -10.779 14.026 1.00 0.00 C ATOM 277 CD1 TYR A 37 -4.523 -9.867 14.997 1.00 0.00 C ATOM 278 CD2 TYR A 37 -6.256 -10.804 13.656 1.00 0.00 C ATOM 279 CE1 TYR A 37 -5.434 -9.008 15.579 1.00 0.00 C ATOM 280 CE2 TYR A 37 -7.171 -9.949 14.234 1.00 0.00 C ATOM 281 CZ TYR A 37 -6.756 -9.054 15.195 1.00 0.00 C ATOM 282 OH TYR A 37 -7.667 -8.198 15.773 1.00 0.00 O ATOM 0 H TYR A 37 -4.188 -12.924 16.213 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.036 -13.630 13.682 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.099 -11.125 12.971 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.404 -12.209 12.531 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.487 -9.829 15.301 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -6.586 -11.505 12.903 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -5.112 -8.304 16.332 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.208 -9.981 13.934 1.00 0.00 H new ATOM 0 HH TYR A 37 -8.555 -8.358 15.391 1.00 0.00 H new ATOM 292 N LEU A 38 -1.173 -11.724 14.343 1.00 0.00 N ATOM 293 CA LEU A 38 -0.003 -11.124 14.964 1.00 0.00 C ATOM 294 C LEU A 38 -0.365 -9.759 15.539 1.00 0.00 C ATOM 295 O LEU A 38 -1.376 -9.171 15.154 1.00 0.00 O ATOM 296 CB LEU A 38 1.121 -10.985 13.932 1.00 0.00 C ATOM 297 CG LEU A 38 2.473 -11.567 14.354 1.00 0.00 C ATOM 298 CD1 LEU A 38 2.331 -13.029 14.746 1.00 0.00 C ATOM 299 CD2 LEU A 38 3.490 -11.414 13.232 1.00 0.00 C ATOM 0 H LEU A 38 -1.167 -11.706 13.323 1.00 0.00 H new ATOM 0 HA LEU A 38 0.342 -11.766 15.774 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.807 -11.472 13.009 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.254 -9.927 13.705 1.00 0.00 H new ATOM 0 HG LEU A 38 2.828 -11.013 15.223 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.303 -13.422 15.042 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.635 -13.116 15.580 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.953 -13.598 13.897 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.446 -11.832 13.548 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.137 -11.943 12.346 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.617 -10.357 12.997 1.00 0.00 H new ATOM 311 N THR A 39 0.422 -9.279 16.486 1.00 0.00 N ATOM 312 CA THR A 39 0.253 -7.927 16.988 1.00 0.00 C ATOM 313 C THR A 39 1.589 -7.179 16.966 1.00 0.00 C ATOM 314 O THR A 39 2.614 -7.737 16.570 1.00 0.00 O ATOM 315 CB THR A 39 -0.346 -7.912 18.412 1.00 0.00 C ATOM 316 OG1 THR A 39 -0.759 -6.582 18.760 1.00 0.00 O ATOM 317 CG2 THR A 39 0.656 -8.419 19.438 1.00 0.00 C ATOM 0 H THR A 39 1.181 -9.803 16.921 1.00 0.00 H new ATOM 0 HA THR A 39 -0.452 -7.419 16.329 1.00 0.00 H new ATOM 0 HB THR A 39 -1.210 -8.576 18.417 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.139 -6.583 19.663 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.204 -8.396 20.430 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.942 -9.442 19.193 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.541 -7.783 19.428 1.00 0.00 H new ATOM 325 N ALA A 40 1.573 -5.926 17.405 1.00 0.00 N ATOM 326 CA ALA A 40 2.770 -5.092 17.400 1.00 0.00 C ATOM 327 C ALA A 40 3.819 -5.632 18.368 1.00 0.00 C ATOM 328 O ALA A 40 5.021 -5.501 18.132 1.00 0.00 O ATOM 329 CB ALA A 40 2.411 -3.657 17.754 1.00 0.00 C ATOM 0 H ALA A 40 0.741 -5.463 17.771 1.00 0.00 H new ATOM 0 HA ALA A 40 3.195 -5.113 16.397 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.312 -3.044 17.747 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.702 -3.268 17.023 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.961 -3.629 18.746 1.00 0.00 H new ATOM 335 N ASN A 41 3.355 -6.252 19.448 1.00 0.00 N ATOM 336 CA ASN A 41 4.249 -6.823 20.453 1.00 0.00 C ATOM 337 C ASN A 41 5.083 -7.956 19.856 1.00 0.00 C ATOM 338 O ASN A 41 6.236 -8.160 20.241 1.00 0.00 O ATOM 339 CB ASN A 41 3.442 -7.311 21.672 1.00 0.00 C ATOM 340 CG ASN A 41 3.728 -8.756 22.060 1.00 0.00 C ATOM 341 OD1 ASN A 41 4.780 -9.068 22.616 1.00 0.00 O ATOM 342 ND2 ASN A 41 2.780 -9.639 21.789 1.00 0.00 N ATOM 0 H ASN A 41 2.363 -6.373 19.651 1.00 0.00 H new ATOM 0 HA ASN A 41 4.936 -6.046 20.788 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.661 -6.666 22.523 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.378 -7.206 21.458 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.908 -10.619 22.043 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.922 -9.340 21.326 1.00 0.00 H new ATOM 349 N ASP A 42 4.504 -8.671 18.893 1.00 0.00 N ATOM 350 CA ASP A 42 5.192 -9.785 18.249 1.00 0.00 C ATOM 351 C ASP A 42 6.360 -9.275 17.412 1.00 0.00 C ATOM 352 O ASP A 42 7.399 -9.924 17.314 1.00 0.00 O ATOM 353 CB ASP A 42 4.229 -10.578 17.363 1.00 0.00 C ATOM 354 CG ASP A 42 3.177 -11.328 18.157 1.00 0.00 C ATOM 355 OD1 ASP A 42 3.539 -12.231 18.946 1.00 0.00 O ATOM 356 OD2 ASP A 42 1.978 -11.017 17.994 1.00 0.00 O ATOM 0 H ASP A 42 3.562 -8.498 18.543 1.00 0.00 H new ATOM 0 HA ASP A 42 5.573 -10.444 19.029 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.736 -9.896 16.670 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.797 -11.288 16.762 1.00 0.00 H new ATOM 361 N VAL A 43 6.183 -8.097 16.823 1.00 0.00 N ATOM 362 CA VAL A 43 7.237 -7.461 16.039 1.00 0.00 C ATOM 363 C VAL A 43 8.436 -7.140 16.925 1.00 0.00 C ATOM 364 O VAL A 43 9.587 -7.208 16.494 1.00 0.00 O ATOM 365 CB VAL A 43 6.739 -6.159 15.370 1.00 0.00 C ATOM 366 CG1 VAL A 43 7.718 -5.686 14.306 1.00 0.00 C ATOM 367 CG2 VAL A 43 5.353 -6.356 14.776 1.00 0.00 C ATOM 0 H VAL A 43 5.316 -7.561 16.874 1.00 0.00 H new ATOM 0 HA VAL A 43 7.531 -8.163 15.259 1.00 0.00 H new ATOM 0 HB VAL A 43 6.676 -5.388 16.137 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.345 -4.769 13.850 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.689 -5.495 14.764 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.823 -6.455 13.540 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.021 -5.428 14.310 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.388 -7.146 14.026 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.655 -6.635 15.565 1.00 0.00 H new ATOM 377 N SER A 44 8.155 -6.797 18.171 1.00 0.00 N ATOM 378 CA SER A 44 9.197 -6.490 19.138 1.00 0.00 C ATOM 379 C SER A 44 9.719 -7.762 19.812 1.00 0.00 C ATOM 380 O SER A 44 10.684 -7.718 20.577 1.00 0.00 O ATOM 381 CB SER A 44 8.654 -5.515 20.180 1.00 0.00 C ATOM 382 OG SER A 44 7.643 -4.692 19.617 1.00 0.00 O ATOM 0 H SER A 44 7.207 -6.724 18.539 1.00 0.00 H new ATOM 0 HA SER A 44 10.034 -6.028 18.614 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.250 -6.068 21.027 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.465 -4.894 20.562 1.00 0.00 H new ATOM 0 HG SER A 44 7.306 -4.075 20.300 1.00 0.00 H new ATOM 388 N LYS A 45 9.074 -8.888 19.534 1.00 0.00 N ATOM 389 CA LYS A 45 9.494 -10.169 20.091 1.00 0.00 C ATOM 390 C LYS A 45 10.692 -10.716 19.322 1.00 0.00 C ATOM 391 O LYS A 45 11.533 -11.428 19.877 1.00 0.00 O ATOM 392 CB LYS A 45 8.341 -11.174 20.054 1.00 0.00 C ATOM 393 CG LYS A 45 8.015 -11.770 21.413 1.00 0.00 C ATOM 394 CD LYS A 45 7.717 -13.257 21.308 1.00 0.00 C ATOM 395 CE LYS A 45 8.339 -14.030 22.457 1.00 0.00 C ATOM 396 NZ LYS A 45 7.532 -13.928 23.698 1.00 0.00 N ATOM 0 H LYS A 45 8.257 -8.941 18.926 1.00 0.00 H new ATOM 0 HA LYS A 45 9.786 -10.012 21.129 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.452 -10.682 19.659 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.593 -11.979 19.364 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.853 -11.612 22.092 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.156 -11.254 21.842 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.638 -13.414 21.304 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.098 -13.640 20.361 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.440 -15.078 22.176 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.344 -13.652 22.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.992 -14.470 24.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.456 -12.930 23.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.581 -14.312 23.526 1.00 0.00 H new ATOM 410 N ILE A 46 10.763 -10.376 18.044 1.00 0.00 N ATOM 411 CA ILE A 46 11.889 -10.769 17.209 1.00 0.00 C ATOM 412 C ILE A 46 12.906 -9.632 17.132 1.00 0.00 C ATOM 413 O ILE A 46 12.732 -8.598 17.777 1.00 0.00 O ATOM 414 CB ILE A 46 11.442 -11.177 15.791 1.00 0.00 C ATOM 415 CG1 ILE A 46 10.327 -10.266 15.287 1.00 0.00 C ATOM 416 CG2 ILE A 46 10.986 -12.627 15.781 1.00 0.00 C ATOM 417 CD1 ILE A 46 10.701 -9.512 14.038 1.00 0.00 C ATOM 0 H ILE A 46 10.052 -9.827 17.561 1.00 0.00 H new ATOM 0 HA ILE A 46 12.352 -11.641 17.671 1.00 0.00 H new ATOM 0 HB ILE A 46 12.295 -11.071 15.120 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.437 -10.865 15.091 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.066 -9.554 16.070 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.673 -12.903 14.774 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.809 -13.269 16.094 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.149 -12.750 16.468 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.867 -8.882 13.730 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.573 -8.888 14.237 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.935 -10.219 13.242 1.00 0.00 H new ATOM 429 N ARG A 47 13.963 -9.823 16.354 1.00 0.00 N ATOM 430 CA ARG A 47 15.048 -8.847 16.285 1.00 0.00 C ATOM 431 C ARG A 47 15.549 -8.700 14.856 1.00 0.00 C ATOM 432 O ARG A 47 15.582 -9.672 14.100 1.00 0.00 O ATOM 433 CB ARG A 47 16.223 -9.266 17.181 1.00 0.00 C ATOM 434 CG ARG A 47 15.819 -10.033 18.432 1.00 0.00 C ATOM 435 CD ARG A 47 16.213 -9.293 19.701 1.00 0.00 C ATOM 436 NE ARG A 47 15.723 -7.916 19.721 1.00 0.00 N ATOM 437 CZ ARG A 47 16.510 -6.852 19.878 1.00 0.00 C ATOM 438 NH1 ARG A 47 17.818 -7.007 20.027 1.00 0.00 N ATOM 439 NH2 ARG A 47 15.994 -5.632 19.883 1.00 0.00 N ATOM 0 H ARG A 47 14.094 -10.643 15.762 1.00 0.00 H new ATOM 0 HA ARG A 47 14.651 -7.894 16.634 1.00 0.00 H new ATOM 0 HB2 ARG A 47 16.907 -9.882 16.597 1.00 0.00 H new ATOM 0 HB3 ARG A 47 16.773 -8.373 17.479 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.741 -10.196 18.426 1.00 0.00 H new ATOM 0 HG3 ARG A 47 16.290 -11.016 18.423 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.821 -9.827 20.566 1.00 0.00 H new ATOM 0 HD3 ARG A 47 17.299 -9.290 19.794 1.00 0.00 H new ATOM 0 HE ARG A 47 14.721 -7.761 19.608 1.00 0.00 H new ATOM 0 HH11 ARG A 47 18.225 -7.942 20.022 1.00 0.00 H new ATOM 0 HH12 ARG A 47 18.418 -6.191 20.147 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.989 -5.503 19.766 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.602 -4.822 20.004 1.00 0.00 H new ATOM 453 N VAL A 48 15.940 -7.488 14.490 1.00 0.00 N ATOM 454 CA VAL A 48 16.537 -7.240 13.186 1.00 0.00 C ATOM 455 C VAL A 48 17.912 -7.899 13.093 1.00 0.00 C ATOM 456 O VAL A 48 18.696 -7.863 14.045 1.00 0.00 O ATOM 457 CB VAL A 48 16.681 -5.729 12.899 1.00 0.00 C ATOM 458 CG1 VAL A 48 15.347 -5.130 12.487 1.00 0.00 C ATOM 459 CG2 VAL A 48 17.255 -4.992 14.105 1.00 0.00 C ATOM 0 H VAL A 48 15.854 -6.660 15.079 1.00 0.00 H new ATOM 0 HA VAL A 48 15.868 -7.672 12.441 1.00 0.00 H new ATOM 0 HB VAL A 48 17.380 -5.611 12.071 1.00 0.00 H new ATOM 0 HG11 VAL A 48 15.472 -4.065 12.290 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.988 -5.626 11.585 1.00 0.00 H new ATOM 0 HG13 VAL A 48 14.623 -5.268 13.290 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.345 -3.931 13.874 1.00 0.00 H new ATOM 0 HG22 VAL A 48 16.592 -5.122 14.960 1.00 0.00 H new ATOM 0 HG23 VAL A 48 18.239 -5.396 14.344 1.00 0.00 H new ATOM 469 N GLY A 49 18.199 -8.506 11.951 1.00 0.00 N ATOM 470 CA GLY A 49 19.461 -9.196 11.770 1.00 0.00 C ATOM 471 C GLY A 49 19.409 -10.612 12.286 1.00 0.00 C ATOM 472 O GLY A 49 20.412 -11.324 12.272 1.00 0.00 O ATOM 0 H GLY A 49 17.578 -8.533 11.142 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.721 -9.205 10.711 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.250 -8.650 12.287 1.00 0.00 H new ATOM 476 N MET A 50 18.243 -11.024 12.750 1.00 0.00 N ATOM 477 CA MET A 50 18.048 -12.395 13.171 1.00 0.00 C ATOM 478 C MET A 50 17.762 -13.262 11.957 1.00 0.00 C ATOM 479 O MET A 50 17.279 -12.766 10.933 1.00 0.00 O ATOM 480 CB MET A 50 16.902 -12.487 14.178 1.00 0.00 C ATOM 481 CG MET A 50 17.362 -12.793 15.593 1.00 0.00 C ATOM 482 SD MET A 50 18.110 -14.427 15.741 1.00 0.00 S ATOM 483 CE MET A 50 19.822 -13.996 16.054 1.00 0.00 C ATOM 0 H MET A 50 17.420 -10.429 12.844 1.00 0.00 H new ATOM 0 HA MET A 50 18.955 -12.752 13.658 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.353 -11.545 14.179 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.206 -13.262 13.855 1.00 0.00 H new ATOM 0 HG2 MET A 50 18.082 -12.038 15.908 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.511 -12.724 16.271 1.00 0.00 H new ATOM 0 HE1 MET A 50 20.300 -14.794 16.621 1.00 0.00 H new ATOM 0 HE2 MET A 50 20.343 -13.862 15.106 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.865 -13.069 16.625 1.00 0.00 H new ATOM 493 N THR A 51 18.070 -14.543 12.059 1.00 0.00 N ATOM 494 CA THR A 51 17.858 -15.460 10.959 1.00 0.00 C ATOM 495 C THR A 51 16.377 -15.814 10.847 1.00 0.00 C ATOM 496 O THR A 51 15.679 -15.896 11.860 1.00 0.00 O ATOM 497 CB THR A 51 18.689 -16.740 11.156 1.00 0.00 C ATOM 498 OG1 THR A 51 19.446 -16.642 12.374 1.00 0.00 O ATOM 499 CG2 THR A 51 19.633 -16.962 9.982 1.00 0.00 C ATOM 0 H THR A 51 18.468 -14.970 12.895 1.00 0.00 H new ATOM 0 HA THR A 51 18.179 -14.973 10.038 1.00 0.00 H new ATOM 0 HB THR A 51 18.007 -17.588 11.214 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.160 -17.344 12.995 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.209 -17.873 10.145 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.055 -17.058 9.063 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.312 -16.114 9.896 1.00 0.00 H new ATOM 507 N GLN A 52 15.904 -16.019 9.618 1.00 0.00 N ATOM 508 CA GLN A 52 14.496 -16.344 9.369 1.00 0.00 C ATOM 509 C GLN A 52 14.049 -17.552 10.189 1.00 0.00 C ATOM 510 O GLN A 52 12.893 -17.636 10.593 1.00 0.00 O ATOM 511 CB GLN A 52 14.237 -16.612 7.879 1.00 0.00 C ATOM 512 CG GLN A 52 15.471 -16.516 6.994 1.00 0.00 C ATOM 513 CD GLN A 52 16.142 -17.858 6.778 1.00 0.00 C ATOM 514 OE1 GLN A 52 16.506 -18.544 7.732 1.00 0.00 O ATOM 515 NE2 GLN A 52 16.312 -18.240 5.523 1.00 0.00 N ATOM 0 H GLN A 52 16.476 -15.966 8.775 1.00 0.00 H new ATOM 0 HA GLN A 52 13.914 -15.475 9.676 1.00 0.00 H new ATOM 0 HB2 GLN A 52 13.806 -17.607 7.772 1.00 0.00 H new ATOM 0 HB3 GLN A 52 13.492 -15.902 7.520 1.00 0.00 H new ATOM 0 HG2 GLN A 52 15.189 -16.096 6.029 1.00 0.00 H new ATOM 0 HG3 GLN A 52 16.184 -15.826 7.446 1.00 0.00 H new ATOM 0 HE21 GLN A 52 15.996 -17.641 4.760 1.00 0.00 H new ATOM 0 HE22 GLN A 52 16.760 -19.133 5.318 1.00 0.00 H new ATOM 524 N GLN A 53 14.974 -18.480 10.440 1.00 0.00 N ATOM 525 CA GLN A 53 14.679 -19.661 11.254 1.00 0.00 C ATOM 526 C GLN A 53 14.233 -19.247 12.648 1.00 0.00 C ATOM 527 O GLN A 53 13.254 -19.761 13.182 1.00 0.00 O ATOM 528 CB GLN A 53 15.906 -20.572 11.371 1.00 0.00 C ATOM 529 CG GLN A 53 16.703 -20.700 10.089 1.00 0.00 C ATOM 530 CD GLN A 53 16.121 -21.728 9.142 1.00 0.00 C ATOM 531 OE1 GLN A 53 15.869 -22.871 9.522 1.00 0.00 O ATOM 532 NE2 GLN A 53 15.905 -21.327 7.902 1.00 0.00 N ATOM 0 H GLN A 53 15.932 -18.437 10.092 1.00 0.00 H new ATOM 0 HA GLN A 53 13.877 -20.209 10.760 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.558 -20.187 12.155 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.581 -21.564 11.685 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.740 -19.732 9.590 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.730 -20.974 10.330 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.129 -20.370 7.629 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.515 -21.974 7.217 1.00 0.00 H new ATOM 541 N GLN A 54 14.954 -18.295 13.218 1.00 0.00 N ATOM 542 CA GLN A 54 14.693 -17.837 14.570 1.00 0.00 C ATOM 543 C GLN A 54 13.474 -16.927 14.591 1.00 0.00 C ATOM 544 O GLN A 54 12.686 -16.950 15.537 1.00 0.00 O ATOM 545 CB GLN A 54 15.920 -17.107 15.117 1.00 0.00 C ATOM 546 CG GLN A 54 16.977 -18.044 15.687 1.00 0.00 C ATOM 547 CD GLN A 54 17.505 -19.031 14.659 1.00 0.00 C ATOM 548 OE1 GLN A 54 18.183 -18.652 13.702 1.00 0.00 O ATOM 549 NE2 GLN A 54 17.191 -20.304 14.843 1.00 0.00 N ATOM 0 H GLN A 54 15.732 -17.821 12.759 1.00 0.00 H new ATOM 0 HA GLN A 54 14.488 -18.699 15.205 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.365 -16.512 14.320 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.603 -16.412 15.895 1.00 0.00 H new ATOM 0 HG2 GLN A 54 17.806 -17.454 16.077 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.554 -18.594 16.528 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.628 -20.579 15.648 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.512 -21.010 14.180 1.00 0.00 H new ATOM 558 N VAL A 55 13.318 -16.141 13.531 1.00 0.00 N ATOM 559 CA VAL A 55 12.145 -15.292 13.375 1.00 0.00 C ATOM 560 C VAL A 55 10.885 -16.149 13.323 1.00 0.00 C ATOM 561 O VAL A 55 9.883 -15.846 13.973 1.00 0.00 O ATOM 562 CB VAL A 55 12.235 -14.425 12.097 1.00 0.00 C ATOM 563 CG1 VAL A 55 10.977 -13.587 11.912 1.00 0.00 C ATOM 564 CG2 VAL A 55 13.464 -13.532 12.146 1.00 0.00 C ATOM 0 H VAL A 55 13.991 -16.075 12.767 1.00 0.00 H new ATOM 0 HA VAL A 55 12.102 -14.624 14.235 1.00 0.00 H new ATOM 0 HB VAL A 55 12.323 -15.095 11.242 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.069 -12.988 11.006 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.111 -14.244 11.827 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.849 -12.928 12.771 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.512 -12.929 11.239 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.403 -12.877 13.015 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.359 -14.149 12.219 1.00 0.00 H new ATOM 574 N ALA A 56 10.958 -17.237 12.569 1.00 0.00 N ATOM 575 CA ALA A 56 9.839 -18.154 12.443 1.00 0.00 C ATOM 576 C ALA A 56 9.637 -18.941 13.729 1.00 0.00 C ATOM 577 O ALA A 56 8.509 -19.253 14.103 1.00 0.00 O ATOM 578 CB ALA A 56 10.043 -19.098 11.270 1.00 0.00 C ATOM 0 H ALA A 56 11.784 -17.505 12.034 1.00 0.00 H new ATOM 0 HA ALA A 56 8.941 -17.564 12.257 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.192 -19.775 11.196 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.129 -18.521 10.349 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.955 -19.676 11.422 1.00 0.00 H new ATOM 584 N TYR A 57 10.736 -19.252 14.403 1.00 0.00 N ATOM 585 CA TYR A 57 10.684 -19.971 15.671 1.00 0.00 C ATOM 586 C TYR A 57 9.950 -19.151 16.725 1.00 0.00 C ATOM 587 O TYR A 57 9.209 -19.693 17.549 1.00 0.00 O ATOM 588 CB TYR A 57 12.098 -20.300 16.157 1.00 0.00 C ATOM 589 CG TYR A 57 12.400 -21.776 16.167 1.00 0.00 C ATOM 590 CD1 TYR A 57 12.514 -22.490 14.982 1.00 0.00 C ATOM 591 CD2 TYR A 57 12.570 -22.458 17.365 1.00 0.00 C ATOM 592 CE1 TYR A 57 12.786 -23.843 14.990 1.00 0.00 C ATOM 593 CE2 TYR A 57 12.844 -23.811 17.381 1.00 0.00 C ATOM 594 CZ TYR A 57 12.952 -24.498 16.192 1.00 0.00 C ATOM 595 OH TYR A 57 13.218 -25.848 16.204 1.00 0.00 O ATOM 0 H TYR A 57 11.679 -19.017 14.092 1.00 0.00 H new ATOM 0 HA TYR A 57 10.139 -20.902 15.512 1.00 0.00 H new ATOM 0 HB2 TYR A 57 12.821 -19.793 15.518 1.00 0.00 H new ATOM 0 HB3 TYR A 57 12.230 -19.903 17.164 1.00 0.00 H new ATOM 0 HD1 TYR A 57 12.388 -21.979 14.039 1.00 0.00 H new ATOM 0 HD2 TYR A 57 12.487 -21.921 18.299 1.00 0.00 H new ATOM 0 HE1 TYR A 57 12.868 -24.386 14.060 1.00 0.00 H new ATOM 0 HE2 TYR A 57 12.973 -24.328 18.320 1.00 0.00 H new ATOM 0 HH TYR A 57 13.308 -26.155 17.130 1.00 0.00 H new ATOM 605 N ALA A 58 10.161 -17.843 16.694 1.00 0.00 N ATOM 606 CA ALA A 58 9.522 -16.939 17.638 1.00 0.00 C ATOM 607 C ALA A 58 8.081 -16.625 17.242 1.00 0.00 C ATOM 608 O ALA A 58 7.159 -16.789 18.042 1.00 0.00 O ATOM 609 CB ALA A 58 10.328 -15.655 17.754 1.00 0.00 C ATOM 0 H ALA A 58 10.774 -17.383 16.021 1.00 0.00 H new ATOM 0 HA ALA A 58 9.492 -17.438 18.607 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.843 -14.984 18.463 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.334 -15.887 18.104 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.386 -15.172 16.778 1.00 0.00 H new ATOM 615 N LEU A 59 7.890 -16.191 16.002 1.00 0.00 N ATOM 616 CA LEU A 59 6.585 -15.723 15.545 1.00 0.00 C ATOM 617 C LEU A 59 5.654 -16.879 15.185 1.00 0.00 C ATOM 618 O LEU A 59 4.456 -16.680 14.990 1.00 0.00 O ATOM 619 CB LEU A 59 6.749 -14.799 14.333 1.00 0.00 C ATOM 620 CG LEU A 59 7.401 -13.448 14.627 1.00 0.00 C ATOM 621 CD1 LEU A 59 7.410 -12.579 13.380 1.00 0.00 C ATOM 622 CD2 LEU A 59 6.674 -12.747 15.761 1.00 0.00 C ATOM 0 H LEU A 59 8.623 -16.153 15.293 1.00 0.00 H new ATOM 0 HA LEU A 59 6.132 -15.174 16.370 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.345 -15.316 13.581 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.766 -14.622 13.895 1.00 0.00 H new ATOM 0 HG LEU A 59 8.433 -13.620 14.932 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.878 -11.621 13.607 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.973 -13.079 12.592 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.386 -12.412 13.045 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.149 -11.786 15.959 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.633 -12.586 15.481 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.717 -13.365 16.658 1.00 0.00 H new ATOM 634 N GLY A 60 6.208 -18.081 15.088 1.00 0.00 N ATOM 635 CA GLY A 60 5.408 -19.236 14.727 1.00 0.00 C ATOM 636 C GLY A 60 4.963 -19.189 13.280 1.00 0.00 C ATOM 637 O GLY A 60 3.882 -19.668 12.932 1.00 0.00 O ATOM 0 H GLY A 60 7.195 -18.277 15.253 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.985 -20.145 14.899 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.532 -19.287 15.374 1.00 0.00 H new ATOM 641 N THR A 61 5.798 -18.609 12.434 1.00 0.00 N ATOM 642 CA THR A 61 5.476 -18.455 11.027 1.00 0.00 C ATOM 643 C THR A 61 6.184 -19.519 10.191 1.00 0.00 C ATOM 644 O THR A 61 7.278 -19.965 10.536 1.00 0.00 O ATOM 645 CB THR A 61 5.841 -17.036 10.517 1.00 0.00 C ATOM 646 OG1 THR A 61 5.679 -16.947 9.094 1.00 0.00 O ATOM 647 CG2 THR A 61 7.269 -16.659 10.883 1.00 0.00 C ATOM 0 H THR A 61 6.709 -18.235 12.700 1.00 0.00 H new ATOM 0 HA THR A 61 4.399 -18.586 10.918 1.00 0.00 H new ATOM 0 HB THR A 61 5.160 -16.338 11.004 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.790 -16.590 8.888 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.488 -15.659 10.509 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.383 -16.674 11.967 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.960 -17.373 10.435 1.00 0.00 H new ATOM 655 N PRO A 62 5.543 -19.975 9.107 1.00 0.00 N ATOM 656 CA PRO A 62 6.142 -20.944 8.191 1.00 0.00 C ATOM 657 C PRO A 62 7.374 -20.379 7.485 1.00 0.00 C ATOM 658 O PRO A 62 7.353 -19.249 6.990 1.00 0.00 O ATOM 659 CB PRO A 62 5.031 -21.226 7.171 1.00 0.00 C ATOM 660 CG PRO A 62 3.774 -20.734 7.805 1.00 0.00 C ATOM 661 CD PRO A 62 4.179 -19.601 8.700 1.00 0.00 C ATOM 0 HA PRO A 62 6.486 -21.835 8.716 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.223 -20.712 6.229 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.966 -22.290 6.945 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.061 -20.400 7.051 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.288 -21.526 8.374 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.162 -18.646 8.175 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.513 -19.506 9.558 1.00 0.00 H new ATOM 669 N LEU A 63 8.450 -21.159 7.466 1.00 0.00 N ATOM 670 CA LEU A 63 9.661 -20.784 6.747 1.00 0.00 C ATOM 671 C LEU A 63 9.419 -20.850 5.243 1.00 0.00 C ATOM 672 O LEU A 63 9.452 -21.926 4.642 1.00 0.00 O ATOM 673 CB LEU A 63 10.819 -21.708 7.133 1.00 0.00 C ATOM 674 CG LEU A 63 11.496 -21.374 8.465 1.00 0.00 C ATOM 675 CD1 LEU A 63 12.160 -22.604 9.059 1.00 0.00 C ATOM 676 CD2 LEU A 63 12.517 -20.266 8.274 1.00 0.00 C ATOM 0 H LEU A 63 8.507 -22.059 7.943 1.00 0.00 H new ATOM 0 HA LEU A 63 9.925 -19.762 7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.448 -22.732 7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.569 -21.675 6.343 1.00 0.00 H new ATOM 0 HG LEU A 63 10.729 -21.031 9.160 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.634 -22.341 10.005 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.409 -23.375 9.232 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.914 -22.980 8.368 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.990 -20.039 9.229 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.275 -20.589 7.561 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.019 -19.374 7.895 1.00 0.00 H new ATOM 688 N MET A 64 9.163 -19.701 4.642 1.00 0.00 N ATOM 689 CA MET A 64 8.795 -19.648 3.241 1.00 0.00 C ATOM 690 C MET A 64 9.520 -18.516 2.522 1.00 0.00 C ATOM 691 O MET A 64 9.136 -17.351 2.634 1.00 0.00 O ATOM 692 CB MET A 64 7.278 -19.476 3.119 1.00 0.00 C ATOM 693 CG MET A 64 6.789 -19.234 1.699 1.00 0.00 C ATOM 694 SD MET A 64 5.276 -18.255 1.651 1.00 0.00 S ATOM 695 CE MET A 64 5.929 -16.604 1.893 1.00 0.00 C ATOM 0 H MET A 64 9.204 -18.793 5.104 1.00 0.00 H new ATOM 0 HA MET A 64 9.093 -20.583 2.767 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.790 -20.368 3.512 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.967 -18.640 3.746 1.00 0.00 H new ATOM 0 HG2 MET A 64 7.567 -18.723 1.132 1.00 0.00 H new ATOM 0 HG3 MET A 64 6.614 -20.192 1.209 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.110 -15.884 1.887 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.449 -16.555 2.850 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.626 -16.367 1.089 1.00 0.00 H new ATOM 705 N SER A 65 10.579 -18.860 1.807 1.00 0.00 N ATOM 706 CA SER A 65 11.274 -17.898 0.965 1.00 0.00 C ATOM 707 C SER A 65 10.916 -18.138 -0.499 1.00 0.00 C ATOM 708 O SER A 65 10.677 -19.278 -0.908 1.00 0.00 O ATOM 709 CB SER A 65 12.786 -18.000 1.173 1.00 0.00 C ATOM 710 OG SER A 65 13.111 -17.949 2.554 1.00 0.00 O ATOM 0 H SER A 65 10.977 -19.799 1.792 1.00 0.00 H new ATOM 0 HA SER A 65 10.960 -16.892 1.243 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.155 -18.931 0.743 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.285 -17.186 0.647 1.00 0.00 H new ATOM 0 HG SER A 65 14.082 -18.018 2.664 1.00 0.00 H new ATOM 716 N ASP A 66 10.854 -17.068 -1.279 1.00 0.00 N ATOM 717 CA ASP A 66 10.474 -17.169 -2.680 1.00 0.00 C ATOM 718 C ASP A 66 11.672 -17.584 -3.528 1.00 0.00 C ATOM 719 O ASP A 66 12.719 -16.937 -3.491 1.00 0.00 O ATOM 720 CB ASP A 66 9.907 -15.835 -3.167 1.00 0.00 C ATOM 721 CG ASP A 66 9.425 -15.895 -4.601 1.00 0.00 C ATOM 722 OD1 ASP A 66 8.447 -16.624 -4.879 1.00 0.00 O ATOM 723 OD2 ASP A 66 10.016 -15.207 -5.449 1.00 0.00 O ATOM 0 H ASP A 66 11.062 -16.120 -0.965 1.00 0.00 H new ATOM 0 HA ASP A 66 9.703 -17.933 -2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.080 -15.539 -2.522 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.673 -15.065 -3.077 1.00 0.00 H new ATOM 728 N PRO A 67 11.519 -18.664 -4.319 1.00 0.00 N ATOM 729 CA PRO A 67 12.614 -19.252 -5.109 1.00 0.00 C ATOM 730 C PRO A 67 13.153 -18.323 -6.197 1.00 0.00 C ATOM 731 O PRO A 67 14.131 -18.646 -6.871 1.00 0.00 O ATOM 732 CB PRO A 67 11.973 -20.489 -5.749 1.00 0.00 C ATOM 733 CG PRO A 67 10.513 -20.206 -5.743 1.00 0.00 C ATOM 734 CD PRO A 67 10.259 -19.404 -4.501 1.00 0.00 C ATOM 0 HA PRO A 67 13.476 -19.465 -4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.341 -20.646 -6.763 1.00 0.00 H new ATOM 0 HB3 PRO A 67 12.203 -21.392 -5.183 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.218 -19.652 -6.634 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.935 -21.130 -5.737 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.410 -18.731 -4.622 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.040 -20.043 -3.646 1.00 0.00 H new ATOM 742 N PHE A 68 12.516 -17.174 -6.373 1.00 0.00 N ATOM 743 CA PHE A 68 12.979 -16.198 -7.351 1.00 0.00 C ATOM 744 C PHE A 68 14.085 -15.339 -6.753 1.00 0.00 C ATOM 745 O PHE A 68 14.786 -14.616 -7.464 1.00 0.00 O ATOM 746 CB PHE A 68 11.824 -15.316 -7.822 1.00 0.00 C ATOM 747 CG PHE A 68 11.867 -14.995 -9.289 1.00 0.00 C ATOM 748 CD1 PHE A 68 11.915 -16.007 -10.237 1.00 0.00 C ATOM 749 CD2 PHE A 68 11.858 -13.679 -9.722 1.00 0.00 C ATOM 750 CE1 PHE A 68 11.949 -15.710 -11.587 1.00 0.00 C ATOM 751 CE2 PHE A 68 11.893 -13.378 -11.070 1.00 0.00 C ATOM 752 CZ PHE A 68 11.938 -14.394 -12.003 1.00 0.00 C ATOM 0 H PHE A 68 11.682 -16.895 -5.855 1.00 0.00 H new ATOM 0 HA PHE A 68 13.375 -16.736 -8.212 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.882 -15.815 -7.596 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.835 -14.385 -7.255 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.926 -17.038 -9.917 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.823 -12.879 -8.997 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.984 -16.507 -12.315 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.885 -12.348 -11.394 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.965 -14.160 -13.057 1.00 0.00 H new ATOM 762 N GLY A 69 14.241 -15.429 -5.439 1.00 0.00 N ATOM 763 CA GLY A 69 15.256 -14.665 -4.758 1.00 0.00 C ATOM 764 C GLY A 69 14.634 -13.552 -3.962 1.00 0.00 C ATOM 765 O GLY A 69 15.328 -12.751 -3.334 1.00 0.00 O ATOM 0 H GLY A 69 13.676 -16.023 -4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.828 -15.317 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.957 -14.253 -5.484 1.00 0.00 H new ATOM 769 N THR A 70 13.310 -13.508 -3.994 1.00 0.00 N ATOM 770 CA THR A 70 12.561 -12.515 -3.262 1.00 0.00 C ATOM 771 C THR A 70 12.581 -12.826 -1.771 1.00 0.00 C ATOM 772 O THR A 70 11.896 -13.736 -1.298 1.00 0.00 O ATOM 773 CB THR A 70 11.107 -12.436 -3.763 1.00 0.00 C ATOM 774 OG1 THR A 70 11.049 -12.823 -5.146 1.00 0.00 O ATOM 775 CG2 THR A 70 10.548 -11.030 -3.593 1.00 0.00 C ATOM 0 H THR A 70 12.734 -14.159 -4.527 1.00 0.00 H new ATOM 0 HA THR A 70 13.035 -11.548 -3.430 1.00 0.00 H new ATOM 0 HB THR A 70 10.500 -13.118 -3.169 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.630 -13.706 -5.221 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.520 -11.001 -3.954 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.570 -10.755 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.153 -10.326 -4.164 1.00 0.00 H new ATOM 783 N ASN A 71 13.380 -12.067 -1.039 1.00 0.00 N ATOM 784 CA ASN A 71 13.576 -12.309 0.381 1.00 0.00 C ATOM 785 C ASN A 71 12.893 -11.230 1.211 1.00 0.00 C ATOM 786 O ASN A 71 13.518 -10.580 2.053 1.00 0.00 O ATOM 787 CB ASN A 71 15.072 -12.372 0.711 1.00 0.00 C ATOM 788 CG ASN A 71 15.650 -13.763 0.532 1.00 0.00 C ATOM 789 OD1 ASN A 71 15.687 -14.564 1.469 1.00 0.00 O ATOM 790 ND2 ASN A 71 16.118 -14.063 -0.671 1.00 0.00 N ATOM 0 H ASN A 71 13.906 -11.274 -1.407 1.00 0.00 H new ATOM 0 HA ASN A 71 13.124 -13.269 0.630 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.611 -11.673 0.071 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.227 -12.047 1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.525 -14.982 -0.845 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.071 -13.375 -1.423 1.00 0.00 H new ATOM 797 N THR A 72 11.609 -11.035 0.958 1.00 0.00 N ATOM 798 CA THR A 72 10.814 -10.095 1.725 1.00 0.00 C ATOM 799 C THR A 72 9.551 -10.766 2.244 1.00 0.00 C ATOM 800 O THR A 72 8.934 -11.577 1.553 1.00 0.00 O ATOM 801 CB THR A 72 10.417 -8.862 0.895 1.00 0.00 C ATOM 802 OG1 THR A 72 10.801 -9.043 -0.478 1.00 0.00 O ATOM 803 CG2 THR A 72 11.070 -7.603 1.443 1.00 0.00 C ATOM 0 H THR A 72 11.094 -11.519 0.222 1.00 0.00 H new ATOM 0 HA THR A 72 11.433 -9.765 2.559 1.00 0.00 H new ATOM 0 HB THR A 72 9.335 -8.749 0.958 1.00 0.00 H new ATOM 0 HG1 THR A 72 10.542 -8.253 -0.997 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.773 -6.746 0.838 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.752 -7.447 2.474 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.154 -7.712 1.410 1.00 0.00 H new ATOM 811 N TRP A 73 9.183 -10.432 3.467 1.00 0.00 N ATOM 812 CA TRP A 73 7.974 -10.958 4.081 1.00 0.00 C ATOM 813 C TRP A 73 7.011 -9.819 4.374 1.00 0.00 C ATOM 814 O TRP A 73 7.440 -8.724 4.734 1.00 0.00 O ATOM 815 CB TRP A 73 8.319 -11.685 5.384 1.00 0.00 C ATOM 816 CG TRP A 73 8.616 -13.144 5.205 1.00 0.00 C ATOM 817 CD1 TRP A 73 8.470 -13.879 4.063 1.00 0.00 C ATOM 818 CD2 TRP A 73 9.120 -14.047 6.200 1.00 0.00 C ATOM 819 NE1 TRP A 73 8.853 -15.179 4.288 1.00 0.00 N ATOM 820 CE2 TRP A 73 9.251 -15.309 5.591 1.00 0.00 C ATOM 821 CE3 TRP A 73 9.468 -13.914 7.548 1.00 0.00 C ATOM 822 CZ2 TRP A 73 9.722 -16.424 6.279 1.00 0.00 C ATOM 823 CZ3 TRP A 73 9.935 -15.022 8.229 1.00 0.00 C ATOM 824 CH2 TRP A 73 10.055 -16.263 7.594 1.00 0.00 C ATOM 0 H TRP A 73 9.709 -9.792 4.062 1.00 0.00 H new ATOM 0 HA TRP A 73 7.506 -11.662 3.393 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.183 -11.202 5.841 1.00 0.00 H new ATOM 0 HB3 TRP A 73 7.488 -11.576 6.081 1.00 0.00 H new ATOM 0 HD1 TRP A 73 8.107 -13.495 3.121 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.842 -15.927 3.595 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.373 -12.962 8.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 9.821 -17.382 5.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 10.212 -14.929 9.269 1.00 0.00 H new ATOM 0 HH2 TRP A 73 10.418 -17.111 8.155 1.00 0.00 H new ATOM 835 N PHE A 74 5.724 -10.061 4.203 1.00 0.00 N ATOM 836 CA PHE A 74 4.727 -9.072 4.575 1.00 0.00 C ATOM 837 C PHE A 74 3.647 -9.706 5.443 1.00 0.00 C ATOM 838 O PHE A 74 2.978 -10.661 5.040 1.00 0.00 O ATOM 839 CB PHE A 74 4.132 -8.368 3.340 1.00 0.00 C ATOM 840 CG PHE A 74 3.299 -9.238 2.431 1.00 0.00 C ATOM 841 CD1 PHE A 74 3.900 -10.066 1.495 1.00 0.00 C ATOM 842 CD2 PHE A 74 1.914 -9.215 2.505 1.00 0.00 C ATOM 843 CE1 PHE A 74 3.137 -10.856 0.656 1.00 0.00 C ATOM 844 CE2 PHE A 74 1.147 -10.003 1.667 1.00 0.00 C ATOM 845 CZ PHE A 74 1.759 -10.824 0.742 1.00 0.00 C ATOM 0 H PHE A 74 5.346 -10.925 3.813 1.00 0.00 H new ATOM 0 HA PHE A 74 5.220 -8.299 5.164 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.517 -7.535 3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.949 -7.943 2.757 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.977 -10.094 1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.429 -8.574 3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.618 -11.498 -0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.070 -9.976 1.736 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.162 -11.440 0.087 1.00 0.00 H new ATOM 855 N TYR A 75 3.511 -9.194 6.655 1.00 0.00 N ATOM 856 CA TYR A 75 2.539 -9.715 7.602 1.00 0.00 C ATOM 857 C TYR A 75 1.564 -8.626 8.019 1.00 0.00 C ATOM 858 O TYR A 75 1.859 -7.436 7.897 1.00 0.00 O ATOM 859 CB TYR A 75 3.246 -10.289 8.831 1.00 0.00 C ATOM 860 CG TYR A 75 3.235 -11.798 8.871 1.00 0.00 C ATOM 861 CD1 TYR A 75 2.115 -12.490 9.310 1.00 0.00 C ATOM 862 CD2 TYR A 75 4.341 -12.530 8.460 1.00 0.00 C ATOM 863 CE1 TYR A 75 2.098 -13.872 9.340 1.00 0.00 C ATOM 864 CE2 TYR A 75 4.331 -13.911 8.486 1.00 0.00 C ATOM 865 CZ TYR A 75 3.207 -14.576 8.927 1.00 0.00 C ATOM 866 OH TYR A 75 3.193 -15.950 8.951 1.00 0.00 O ATOM 0 H TYR A 75 4.065 -8.414 7.008 1.00 0.00 H new ATOM 0 HA TYR A 75 1.980 -10.514 7.115 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.278 -9.939 8.845 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.766 -9.904 9.731 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.243 -11.940 9.633 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.223 -12.011 8.115 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.220 -14.397 9.686 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.199 -14.467 8.163 1.00 0.00 H new ATOM 0 HH TYR A 75 2.278 -16.270 8.811 1.00 0.00 H new ATOM 876 N VAL A 76 0.408 -9.034 8.518 1.00 0.00 N ATOM 877 CA VAL A 76 -0.632 -8.090 8.887 1.00 0.00 C ATOM 878 C VAL A 76 -1.056 -8.291 10.334 1.00 0.00 C ATOM 879 O VAL A 76 -1.470 -9.382 10.728 1.00 0.00 O ATOM 880 CB VAL A 76 -1.874 -8.227 7.972 1.00 0.00 C ATOM 881 CG1 VAL A 76 -3.009 -7.331 8.450 1.00 0.00 C ATOM 882 CG2 VAL A 76 -1.517 -7.907 6.529 1.00 0.00 C ATOM 0 H VAL A 76 0.167 -10.012 8.676 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.214 -7.091 8.765 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.214 -9.261 8.024 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.868 -7.448 7.789 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.291 -7.612 9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.681 -6.291 8.439 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.404 -8.009 5.904 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.144 -6.885 6.465 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.747 -8.597 6.183 1.00 0.00 H new ATOM 892 N PHE A 77 -0.926 -7.239 11.122 1.00 0.00 N ATOM 893 CA PHE A 77 -1.437 -7.231 12.480 1.00 0.00 C ATOM 894 C PHE A 77 -2.484 -6.140 12.599 1.00 0.00 C ATOM 895 O PHE A 77 -2.839 -5.525 11.599 1.00 0.00 O ATOM 896 CB PHE A 77 -0.326 -7.024 13.514 1.00 0.00 C ATOM 897 CG PHE A 77 0.753 -6.061 13.120 1.00 0.00 C ATOM 898 CD1 PHE A 77 1.851 -6.494 12.398 1.00 0.00 C ATOM 899 CD2 PHE A 77 0.679 -4.731 13.492 1.00 0.00 C ATOM 900 CE1 PHE A 77 2.854 -5.616 12.051 1.00 0.00 C ATOM 901 CE2 PHE A 77 1.679 -3.849 13.145 1.00 0.00 C ATOM 902 CZ PHE A 77 2.769 -4.293 12.425 1.00 0.00 C ATOM 0 H PHE A 77 -0.467 -6.373 10.841 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.881 -8.204 12.689 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.778 -6.675 14.442 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.133 -7.990 13.726 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.922 -7.531 12.104 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.170 -4.381 14.060 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.706 -5.964 11.486 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.610 -2.811 13.436 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.555 -3.604 12.155 1.00 0.00 H new ATOM 912 N ARG A 78 -2.996 -5.908 13.796 1.00 0.00 N ATOM 913 CA ARG A 78 -4.011 -4.883 13.988 1.00 0.00 C ATOM 914 C ARG A 78 -3.474 -3.717 14.809 1.00 0.00 C ATOM 915 O ARG A 78 -2.736 -3.912 15.777 1.00 0.00 O ATOM 916 CB ARG A 78 -5.255 -5.476 14.648 1.00 0.00 C ATOM 917 CG ARG A 78 -6.456 -5.572 13.717 1.00 0.00 C ATOM 918 CD ARG A 78 -6.040 -5.683 12.254 1.00 0.00 C ATOM 919 NE ARG A 78 -7.120 -6.189 11.410 1.00 0.00 N ATOM 920 CZ ARG A 78 -7.120 -7.392 10.836 1.00 0.00 C ATOM 921 NH1 ARG A 78 -6.089 -8.213 11.010 1.00 0.00 N ATOM 922 NH2 ARG A 78 -8.145 -7.768 10.079 1.00 0.00 N ATOM 0 H ARG A 78 -2.729 -6.410 14.643 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.287 -4.500 13.006 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.017 -6.471 15.023 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.523 -4.866 15.511 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.057 -6.440 13.989 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.087 -4.693 13.848 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.727 -4.704 11.892 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.177 -6.344 12.172 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.925 -5.583 11.250 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.297 -7.923 11.583 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.090 -9.133 10.570 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.933 -7.136 9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.144 -8.689 9.640 1.00 0.00 H new ATOM 936 N GLN A 79 -3.833 -2.511 14.394 1.00 0.00 N ATOM 937 CA GLN A 79 -3.432 -1.295 15.084 1.00 0.00 C ATOM 938 C GLN A 79 -4.489 -0.899 16.116 1.00 0.00 C ATOM 939 O GLN A 79 -4.911 -1.716 16.933 1.00 0.00 O ATOM 940 CB GLN A 79 -3.233 -0.159 14.072 1.00 0.00 C ATOM 941 CG GLN A 79 -1.810 0.367 13.994 1.00 0.00 C ATOM 942 CD GLN A 79 -1.686 1.562 13.067 1.00 0.00 C ATOM 943 OE1 GLN A 79 -1.379 1.416 11.886 1.00 0.00 O ATOM 944 NE2 GLN A 79 -1.922 2.752 13.593 1.00 0.00 N ATOM 0 H GLN A 79 -4.411 -2.348 13.569 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.490 -1.479 15.601 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.532 -0.511 13.085 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.898 0.664 14.332 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.474 0.648 14.992 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.150 -0.428 13.648 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.174 2.833 14.578 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.852 3.589 13.014 1.00 0.00 H new ATOM 953 N GLN A 80 -4.921 0.355 16.064 1.00 0.00 N ATOM 954 CA GLN A 80 -5.952 0.853 16.962 1.00 0.00 C ATOM 955 C GLN A 80 -7.178 1.269 16.159 1.00 0.00 C ATOM 956 O GLN A 80 -7.167 2.304 15.485 1.00 0.00 O ATOM 957 CB GLN A 80 -5.436 2.039 17.788 1.00 0.00 C ATOM 958 CG GLN A 80 -3.934 2.271 17.673 1.00 0.00 C ATOM 959 CD GLN A 80 -3.581 3.311 16.624 1.00 0.00 C ATOM 960 OE1 GLN A 80 -2.293 3.524 16.401 1.00 0.00 O flip ATOM 961 NE2 GLN A 80 -4.459 3.914 16.009 1.00 0.00 N flip ATOM 0 H GLN A 80 -4.570 1.049 15.404 1.00 0.00 H new ATOM 0 HA GLN A 80 -6.225 0.053 17.651 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.958 2.942 17.472 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.688 1.875 18.836 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.544 2.589 18.640 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.443 1.330 17.426 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.442 3.725 16.206 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.204 4.603 15.301 1.00 0.00 H new ATOM 970 N PRO A 81 -8.242 0.454 16.203 1.00 0.00 N ATOM 971 CA PRO A 81 -9.475 0.713 15.451 1.00 0.00 C ATOM 972 C PRO A 81 -10.171 1.996 15.899 1.00 0.00 C ATOM 973 O PRO A 81 -10.179 2.330 17.089 1.00 0.00 O ATOM 974 CB PRO A 81 -10.357 -0.505 15.754 1.00 0.00 C ATOM 975 CG PRO A 81 -9.429 -1.542 16.291 1.00 0.00 C ATOM 976 CD PRO A 81 -8.331 -0.792 16.984 1.00 0.00 C ATOM 0 HA PRO A 81 -9.273 0.851 14.389 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.132 -0.258 16.479 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.862 -0.858 14.855 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -9.945 -2.207 16.983 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.031 -2.164 15.489 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -8.571 -0.598 18.029 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.392 -1.346 16.970 1.00 0.00 H new ATOM 984 N GLY A 82 -10.753 2.703 14.940 1.00 0.00 N ATOM 985 CA GLY A 82 -11.431 3.948 15.227 1.00 0.00 C ATOM 986 C GLY A 82 -12.074 4.527 13.984 1.00 0.00 C ATOM 987 O GLY A 82 -12.680 3.797 13.200 1.00 0.00 O ATOM 0 H GLY A 82 -10.766 2.431 13.957 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.193 3.782 15.989 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.720 4.665 15.638 1.00 0.00 H new ATOM 991 N HIS A 83 -11.925 5.830 13.791 1.00 0.00 N ATOM 992 CA HIS A 83 -12.496 6.506 12.630 1.00 0.00 C ATOM 993 C HIS A 83 -11.807 6.061 11.341 1.00 0.00 C ATOM 994 O HIS A 83 -10.747 5.423 11.382 1.00 0.00 O ATOM 995 CB HIS A 83 -12.371 8.024 12.778 1.00 0.00 C ATOM 996 CG HIS A 83 -13.653 8.698 13.146 1.00 0.00 C ATOM 997 ND1 HIS A 83 -14.368 9.484 12.270 1.00 0.00 N ATOM 998 CD2 HIS A 83 -14.353 8.695 14.303 1.00 0.00 C ATOM 999 CE1 HIS A 83 -15.451 9.939 12.873 1.00 0.00 C ATOM 1000 NE2 HIS A 83 -15.466 9.473 14.108 1.00 0.00 N ATOM 0 H HIS A 83 -11.412 6.443 14.424 1.00 0.00 H new ATOM 0 HA HIS A 83 -13.550 6.235 12.575 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -11.622 8.246 13.539 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -12.006 8.443 11.840 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -14.086 8.176 15.212 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -16.197 10.583 12.431 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -16.188 9.661 14.804 1.00 0.00 H new ATOM 1009 N GLU A 84 -12.429 6.396 10.209 1.00 0.00 N ATOM 1010 CA GLU A 84 -11.915 6.081 8.872 1.00 0.00 C ATOM 1011 C GLU A 84 -12.132 4.608 8.532 1.00 0.00 C ATOM 1012 O GLU A 84 -12.808 4.284 7.556 1.00 0.00 O ATOM 1013 CB GLU A 84 -10.428 6.445 8.734 1.00 0.00 C ATOM 1014 CG GLU A 84 -10.071 7.048 7.387 1.00 0.00 C ATOM 1015 CD GLU A 84 -10.529 8.486 7.242 1.00 0.00 C ATOM 1016 OE1 GLU A 84 -11.094 9.039 8.209 1.00 0.00 O ATOM 1017 OE2 GLU A 84 -10.326 9.072 6.155 1.00 0.00 O ATOM 0 H GLU A 84 -13.315 6.900 10.193 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.477 6.688 8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.161 7.151 9.521 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.827 5.549 8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.991 7.001 7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.520 6.448 6.596 1.00 0.00 H new ATOM 1024 N GLY A 85 -11.556 3.725 9.334 1.00 0.00 N ATOM 1025 CA GLY A 85 -11.668 2.300 9.080 1.00 0.00 C ATOM 1026 C GLY A 85 -10.576 1.800 8.158 1.00 0.00 C ATOM 1027 O GLY A 85 -10.350 0.598 8.042 1.00 0.00 O ATOM 0 H GLY A 85 -11.010 3.969 10.160 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.621 1.759 10.025 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.641 2.086 8.638 1.00 0.00 H new ATOM 1031 N VAL A 86 -9.884 2.731 7.522 1.00 0.00 N ATOM 1032 CA VAL A 86 -8.809 2.395 6.606 1.00 0.00 C ATOM 1033 C VAL A 86 -7.485 2.784 7.236 1.00 0.00 C ATOM 1034 O VAL A 86 -7.000 3.902 7.054 1.00 0.00 O ATOM 1035 CB VAL A 86 -8.962 3.114 5.248 1.00 0.00 C ATOM 1036 CG1 VAL A 86 -8.028 2.508 4.212 1.00 0.00 C ATOM 1037 CG2 VAL A 86 -10.406 3.062 4.768 1.00 0.00 C ATOM 0 H VAL A 86 -10.050 3.732 7.625 1.00 0.00 H new ATOM 0 HA VAL A 86 -8.846 1.322 6.418 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.688 4.160 5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.151 3.029 3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.996 2.608 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.266 1.452 4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.490 3.575 3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.714 2.023 4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -11.050 3.551 5.499 1.00 0.00 H new ATOM 1047 N THR A 87 -6.921 1.861 7.995 1.00 0.00 N ATOM 1048 CA THR A 87 -5.711 2.119 8.754 1.00 0.00 C ATOM 1049 C THR A 87 -5.101 0.805 9.241 1.00 0.00 C ATOM 1050 O THR A 87 -5.692 0.105 10.064 1.00 0.00 O ATOM 1051 CB THR A 87 -6.013 3.039 9.967 1.00 0.00 C ATOM 1052 OG1 THR A 87 -6.225 4.390 9.527 1.00 0.00 O ATOM 1053 CG2 THR A 87 -4.882 3.011 10.988 1.00 0.00 C ATOM 0 H THR A 87 -7.288 0.915 8.102 1.00 0.00 H new ATOM 0 HA THR A 87 -4.999 2.623 8.100 1.00 0.00 H new ATOM 0 HB THR A 87 -6.917 2.662 10.446 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.448 4.954 10.297 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.129 3.667 11.823 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.747 1.993 11.354 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.960 3.353 10.519 1.00 0.00 H new ATOM 1061 N GLN A 88 -3.930 0.465 8.711 1.00 0.00 N ATOM 1062 CA GLN A 88 -3.216 -0.725 9.138 1.00 0.00 C ATOM 1063 C GLN A 88 -1.761 -0.683 8.698 1.00 0.00 C ATOM 1064 O GLN A 88 -1.464 -0.632 7.505 1.00 0.00 O ATOM 1065 CB GLN A 88 -3.885 -1.978 8.583 1.00 0.00 C ATOM 1066 CG GLN A 88 -3.928 -3.133 9.569 1.00 0.00 C ATOM 1067 CD GLN A 88 -3.633 -2.701 10.997 1.00 0.00 C ATOM 1068 OE1 GLN A 88 -4.538 -2.338 11.748 1.00 0.00 O ATOM 1069 NE2 GLN A 88 -2.362 -2.744 11.385 1.00 0.00 N ATOM 0 H GLN A 88 -3.458 1.001 7.983 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.246 -0.754 10.227 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.903 -1.732 8.280 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.353 -2.297 7.686 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.912 -3.600 9.532 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.204 -3.890 9.267 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.640 -3.051 10.733 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.109 -2.470 12.334 1.00 0.00 H new ATOM 1078 N GLN A 89 -0.861 -0.676 9.671 1.00 0.00 N ATOM 1079 CA GLN A 89 0.563 -0.764 9.390 1.00 0.00 C ATOM 1080 C GLN A 89 0.950 -2.212 9.130 1.00 0.00 C ATOM 1081 O GLN A 89 0.572 -3.112 9.884 1.00 0.00 O ATOM 1082 CB GLN A 89 1.389 -0.193 10.549 1.00 0.00 C ATOM 1083 CG GLN A 89 0.988 -0.713 11.921 1.00 0.00 C ATOM 1084 CD GLN A 89 1.940 -0.270 13.017 1.00 0.00 C ATOM 1085 OE1 GLN A 89 2.929 0.413 12.762 1.00 0.00 O ATOM 1086 NE2 GLN A 89 1.647 -0.655 14.249 1.00 0.00 N ATOM 0 H GLN A 89 -1.093 -0.610 10.662 1.00 0.00 H new ATOM 0 HA GLN A 89 0.776 -0.171 8.501 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.440 -0.425 10.379 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.297 0.893 10.544 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.018 -0.366 12.157 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.951 -1.802 11.896 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.817 -1.222 14.422 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.251 -0.385 15.025 1.00 0.00 H new ATOM 1095 N THR A 90 1.680 -2.433 8.054 1.00 0.00 N ATOM 1096 CA THR A 90 2.095 -3.770 7.674 1.00 0.00 C ATOM 1097 C THR A 90 3.459 -4.117 8.261 1.00 0.00 C ATOM 1098 O THR A 90 4.247 -3.231 8.607 1.00 0.00 O ATOM 1099 CB THR A 90 2.164 -3.898 6.143 1.00 0.00 C ATOM 1100 OG1 THR A 90 2.175 -2.589 5.550 1.00 0.00 O ATOM 1101 CG2 THR A 90 0.979 -4.692 5.612 1.00 0.00 C ATOM 0 H THR A 90 2.000 -1.698 7.423 1.00 0.00 H new ATOM 0 HA THR A 90 1.353 -4.464 8.070 1.00 0.00 H new ATOM 0 HB THR A 90 3.079 -4.428 5.880 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.221 -2.672 4.575 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.050 -4.769 4.527 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.986 -5.691 6.048 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.052 -4.185 5.880 1.00 0.00 H new ATOM 1109 N LEU A 91 3.724 -5.408 8.380 1.00 0.00 N ATOM 1110 CA LEU A 91 5.030 -5.883 8.792 1.00 0.00 C ATOM 1111 C LEU A 91 5.832 -6.278 7.559 1.00 0.00 C ATOM 1112 O LEU A 91 5.587 -7.325 6.967 1.00 0.00 O ATOM 1113 CB LEU A 91 4.888 -7.089 9.727 1.00 0.00 C ATOM 1114 CG LEU A 91 5.751 -7.059 10.991 1.00 0.00 C ATOM 1115 CD1 LEU A 91 5.876 -8.456 11.572 1.00 0.00 C ATOM 1116 CD2 LEU A 91 7.129 -6.478 10.703 1.00 0.00 C ATOM 0 H LEU A 91 3.046 -6.147 8.195 1.00 0.00 H new ATOM 0 HA LEU A 91 5.547 -5.087 9.328 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.843 -7.172 10.026 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.132 -7.991 9.165 1.00 0.00 H new ATOM 0 HG LEU A 91 5.262 -6.414 11.721 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.492 -8.423 12.471 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.886 -8.835 11.825 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.340 -9.115 10.838 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.719 -6.470 11.619 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.632 -7.089 9.953 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.024 -5.459 10.330 1.00 0.00 H new ATOM 1128 N THR A 92 6.774 -5.436 7.176 1.00 0.00 N ATOM 1129 CA THR A 92 7.607 -5.710 6.021 1.00 0.00 C ATOM 1130 C THR A 92 8.990 -6.163 6.464 1.00 0.00 C ATOM 1131 O THR A 92 9.775 -5.374 6.985 1.00 0.00 O ATOM 1132 CB THR A 92 7.726 -4.471 5.114 1.00 0.00 C ATOM 1133 OG1 THR A 92 6.739 -3.495 5.485 1.00 0.00 O ATOM 1134 CG2 THR A 92 7.543 -4.852 3.653 1.00 0.00 C ATOM 0 H THR A 92 6.981 -4.556 7.649 1.00 0.00 H new ATOM 0 HA THR A 92 7.134 -6.508 5.449 1.00 0.00 H new ATOM 0 HB THR A 92 8.722 -4.048 5.242 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.985 -3.091 6.343 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.631 -3.961 3.031 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.309 -5.572 3.366 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.557 -5.296 3.513 1.00 0.00 H new ATOM 1142 N LEU A 93 9.271 -7.437 6.290 1.00 0.00 N ATOM 1143 CA LEU A 93 10.543 -7.994 6.703 1.00 0.00 C ATOM 1144 C LEU A 93 11.466 -8.159 5.508 1.00 0.00 C ATOM 1145 O LEU A 93 11.110 -8.811 4.530 1.00 0.00 O ATOM 1146 CB LEU A 93 10.330 -9.342 7.385 1.00 0.00 C ATOM 1147 CG LEU A 93 9.615 -9.271 8.735 1.00 0.00 C ATOM 1148 CD1 LEU A 93 8.271 -9.984 8.672 1.00 0.00 C ATOM 1149 CD2 LEU A 93 10.483 -9.869 9.831 1.00 0.00 C ATOM 0 H LEU A 93 8.633 -8.109 5.864 1.00 0.00 H new ATOM 0 HA LEU A 93 11.007 -7.306 7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.755 -9.984 6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.300 -9.819 7.528 1.00 0.00 H new ATOM 0 HG LEU A 93 9.435 -8.222 8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.780 -9.921 9.643 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.643 -9.511 7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.426 -11.031 8.411 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.958 -9.810 10.784 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.696 -10.912 9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.419 -9.314 9.897 1.00 0.00 H new ATOM 1161 N THR A 94 12.642 -7.567 5.587 1.00 0.00 N ATOM 1162 CA THR A 94 13.615 -7.661 4.520 1.00 0.00 C ATOM 1163 C THR A 94 14.856 -8.353 5.041 1.00 0.00 C ATOM 1164 O THR A 94 15.442 -7.915 6.028 1.00 0.00 O ATOM 1165 CB THR A 94 13.985 -6.265 3.984 1.00 0.00 C ATOM 1166 OG1 THR A 94 12.897 -5.356 4.201 1.00 0.00 O ATOM 1167 CG2 THR A 94 14.319 -6.311 2.502 1.00 0.00 C ATOM 0 H THR A 94 12.947 -7.012 6.387 1.00 0.00 H new ATOM 0 HA THR A 94 13.182 -8.235 3.701 1.00 0.00 H new ATOM 0 HB THR A 94 14.868 -5.922 4.523 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.240 -4.520 4.581 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.576 -5.310 2.156 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.165 -6.979 2.340 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.456 -6.677 1.946 1.00 0.00 H new ATOM 1175 N PHE A 95 15.232 -9.451 4.411 1.00 0.00 N ATOM 1176 CA PHE A 95 16.393 -10.197 4.845 1.00 0.00 C ATOM 1177 C PHE A 95 17.343 -10.417 3.684 1.00 0.00 C ATOM 1178 O PHE A 95 16.924 -10.502 2.531 1.00 0.00 O ATOM 1179 CB PHE A 95 16.005 -11.545 5.479 1.00 0.00 C ATOM 1180 CG PHE A 95 14.655 -12.082 5.083 1.00 0.00 C ATOM 1181 CD1 PHE A 95 13.492 -11.575 5.645 1.00 0.00 C ATOM 1182 CD2 PHE A 95 14.555 -13.110 4.163 1.00 0.00 C ATOM 1183 CE1 PHE A 95 12.258 -12.083 5.289 1.00 0.00 C ATOM 1184 CE2 PHE A 95 13.322 -13.624 3.805 1.00 0.00 C ATOM 1185 CZ PHE A 95 12.173 -13.109 4.369 1.00 0.00 C ATOM 0 H PHE A 95 14.751 -9.842 3.601 1.00 0.00 H new ATOM 0 HA PHE A 95 16.894 -9.605 5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 95 16.762 -12.283 5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 95 16.030 -11.438 6.563 1.00 0.00 H new ATOM 0 HD1 PHE A 95 13.552 -10.775 6.368 1.00 0.00 H new ATOM 0 HD2 PHE A 95 15.451 -13.517 3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 95 11.359 -11.678 5.730 1.00 0.00 H new ATOM 0 HE2 PHE A 95 13.259 -14.427 3.085 1.00 0.00 H new ATOM 0 HZ PHE A 95 11.209 -13.508 4.091 1.00 0.00 H new ATOM 1195 N ASN A 96 18.626 -10.463 3.991 1.00 0.00 N ATOM 1196 CA ASN A 96 19.629 -10.765 2.992 1.00 0.00 C ATOM 1197 C ASN A 96 19.693 -12.272 2.794 1.00 0.00 C ATOM 1198 O ASN A 96 19.245 -13.025 3.663 1.00 0.00 O ATOM 1199 CB ASN A 96 20.998 -10.224 3.416 1.00 0.00 C ATOM 1200 CG ASN A 96 22.004 -10.235 2.280 1.00 0.00 C ATOM 1201 OD1 ASN A 96 21.786 -9.620 1.236 1.00 0.00 O ATOM 1202 ND2 ASN A 96 23.106 -10.937 2.474 1.00 0.00 N ATOM 0 H ASN A 96 18.997 -10.295 4.926 1.00 0.00 H new ATOM 0 HA ASN A 96 19.356 -10.284 2.053 1.00 0.00 H new ATOM 0 HB2 ASN A 96 20.884 -9.205 3.786 1.00 0.00 H new ATOM 0 HB3 ASN A 96 21.381 -10.822 4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 96 23.816 -10.984 1.743 1.00 0.00 H new ATOM 0 HD22 ASN A 96 23.247 -11.432 3.355 1.00 0.00 H new ATOM 1209 N SER A 97 20.269 -12.705 1.673 1.00 0.00 N ATOM 1210 CA SER A 97 20.320 -14.119 1.298 1.00 0.00 C ATOM 1211 C SER A 97 21.047 -14.981 2.339 1.00 0.00 C ATOM 1212 O SER A 97 21.043 -16.208 2.252 1.00 0.00 O ATOM 1213 CB SER A 97 20.997 -14.241 -0.066 1.00 0.00 C ATOM 1214 OG SER A 97 21.152 -12.959 -0.659 1.00 0.00 O ATOM 0 H SER A 97 20.715 -12.084 0.997 1.00 0.00 H new ATOM 0 HA SER A 97 19.298 -14.495 1.250 1.00 0.00 H new ATOM 0 HB2 SER A 97 21.971 -14.717 0.046 1.00 0.00 H new ATOM 0 HB3 SER A 97 20.402 -14.881 -0.718 1.00 0.00 H new ATOM 0 HG SER A 97 21.589 -13.053 -1.531 1.00 0.00 H new ATOM 1220 N SER A 98 21.667 -14.337 3.317 1.00 0.00 N ATOM 1221 CA SER A 98 22.289 -15.036 4.429 1.00 0.00 C ATOM 1222 C SER A 98 21.227 -15.535 5.412 1.00 0.00 C ATOM 1223 O SER A 98 21.508 -16.352 6.291 1.00 0.00 O ATOM 1224 CB SER A 98 23.257 -14.090 5.133 1.00 0.00 C ATOM 1225 OG SER A 98 23.103 -12.767 4.638 1.00 0.00 O ATOM 0 H SER A 98 21.752 -13.322 3.361 1.00 0.00 H new ATOM 0 HA SER A 98 22.833 -15.902 4.051 1.00 0.00 H new ATOM 0 HB2 SER A 98 23.075 -14.107 6.208 1.00 0.00 H new ATOM 0 HB3 SER A 98 24.282 -14.426 4.978 1.00 0.00 H new ATOM 0 HG SER A 98 23.913 -12.250 4.829 1.00 0.00 H new ATOM 1231 N GLY A 99 20.006 -15.028 5.250 1.00 0.00 N ATOM 1232 CA GLY A 99 18.906 -15.407 6.112 1.00 0.00 C ATOM 1233 C GLY A 99 18.718 -14.428 7.252 1.00 0.00 C ATOM 1234 O GLY A 99 17.997 -14.707 8.203 1.00 0.00 O ATOM 0 H GLY A 99 19.761 -14.353 4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.988 -15.463 5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.088 -16.403 6.515 1.00 0.00 H new ATOM 1238 N VAL A 100 19.346 -13.270 7.132 1.00 0.00 N ATOM 1239 CA VAL A 100 19.387 -12.288 8.201 1.00 0.00 C ATOM 1240 C VAL A 100 18.588 -11.049 7.816 1.00 0.00 C ATOM 1241 O VAL A 100 18.806 -10.486 6.743 1.00 0.00 O ATOM 1242 CB VAL A 100 20.858 -11.903 8.504 1.00 0.00 C ATOM 1243 CG1 VAL A 100 20.976 -10.500 9.081 1.00 0.00 C ATOM 1244 CG2 VAL A 100 21.491 -12.924 9.436 1.00 0.00 C ATOM 0 H VAL A 100 19.843 -12.985 6.288 1.00 0.00 H new ATOM 0 HA VAL A 100 18.940 -12.722 9.095 1.00 0.00 H new ATOM 0 HB VAL A 100 21.398 -11.906 7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 100 22.024 -10.274 9.277 1.00 0.00 H new ATOM 0 HG12 VAL A 100 20.577 -9.779 8.368 1.00 0.00 H new ATOM 0 HG13 VAL A 100 20.412 -10.441 10.012 1.00 0.00 H new ATOM 0 HG21 VAL A 100 22.524 -12.640 9.639 1.00 0.00 H new ATOM 0 HG22 VAL A 100 20.933 -12.958 10.372 1.00 0.00 H new ATOM 0 HG23 VAL A 100 21.471 -13.907 8.966 1.00 0.00 H new ATOM 1254 N LEU A 101 17.654 -10.647 8.677 1.00 0.00 N ATOM 1255 CA LEU A 101 16.866 -9.434 8.447 1.00 0.00 C ATOM 1256 C LEU A 101 17.787 -8.233 8.281 1.00 0.00 C ATOM 1257 O LEU A 101 18.388 -7.762 9.246 1.00 0.00 O ATOM 1258 CB LEU A 101 15.899 -9.163 9.606 1.00 0.00 C ATOM 1259 CG LEU A 101 15.206 -10.385 10.212 1.00 0.00 C ATOM 1260 CD1 LEU A 101 14.160 -9.947 11.222 1.00 0.00 C ATOM 1261 CD2 LEU A 101 14.566 -11.247 9.131 1.00 0.00 C ATOM 0 H LEU A 101 17.424 -11.142 9.539 1.00 0.00 H new ATOM 0 HA LEU A 101 16.286 -9.589 7.537 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.449 -8.654 10.398 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.131 -8.473 9.256 1.00 0.00 H new ATOM 0 HG LEU A 101 15.961 -10.985 10.719 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.674 -10.825 11.646 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.639 -9.377 12.018 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.415 -9.323 10.727 1.00 0.00 H new ATOM 0 HD21 LEU A 101 14.081 -12.108 9.592 1.00 0.00 H new ATOM 0 HD22 LEU A 101 13.825 -10.660 8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.334 -11.591 8.438 1.00 0.00 H new ATOM 1273 N THR A 102 17.882 -7.736 7.064 1.00 0.00 N ATOM 1274 CA THR A 102 18.715 -6.593 6.767 1.00 0.00 C ATOM 1275 C THR A 102 18.045 -5.331 7.288 1.00 0.00 C ATOM 1276 O THR A 102 18.710 -4.397 7.738 1.00 0.00 O ATOM 1277 CB THR A 102 18.945 -6.476 5.249 1.00 0.00 C ATOM 1278 OG1 THR A 102 18.018 -7.327 4.562 1.00 0.00 O ATOM 1279 CG2 THR A 102 20.365 -6.877 4.885 1.00 0.00 C ATOM 0 H THR A 102 17.385 -8.113 6.257 1.00 0.00 H new ATOM 0 HA THR A 102 19.681 -6.721 7.255 1.00 0.00 H new ATOM 0 HB THR A 102 18.791 -5.439 4.952 1.00 0.00 H new ATOM 0 HG1 THR A 102 18.161 -7.253 3.595 1.00 0.00 H new ATOM 0 HG21 THR A 102 20.504 -6.786 3.808 1.00 0.00 H new ATOM 0 HG22 THR A 102 21.070 -6.223 5.398 1.00 0.00 H new ATOM 0 HG23 THR A 102 20.541 -7.909 5.188 1.00 0.00 H new ATOM 1287 N ASN A 103 16.716 -5.338 7.250 1.00 0.00 N ATOM 1288 CA ASN A 103 15.921 -4.237 7.768 1.00 0.00 C ATOM 1289 C ASN A 103 14.467 -4.670 7.918 1.00 0.00 C ATOM 1290 O ASN A 103 13.947 -5.418 7.091 1.00 0.00 O ATOM 1291 CB ASN A 103 16.034 -3.008 6.840 1.00 0.00 C ATOM 1292 CG ASN A 103 14.714 -2.582 6.215 1.00 0.00 C ATOM 1293 OD1 ASN A 103 14.219 -3.214 5.281 1.00 0.00 O ATOM 1294 ND2 ASN A 103 14.143 -1.494 6.710 1.00 0.00 N ATOM 0 H ASN A 103 16.165 -6.104 6.861 1.00 0.00 H new ATOM 0 HA ASN A 103 16.302 -3.956 8.750 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.442 -2.172 7.409 1.00 0.00 H new ATOM 0 HB3 ASN A 103 16.746 -3.230 6.045 1.00 0.00 H new ATOM 0 HD21 ASN A 103 13.265 -1.155 6.317 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.581 -0.995 7.484 1.00 0.00 H new ATOM 1301 N ILE A 104 13.829 -4.246 8.996 1.00 0.00 N ATOM 1302 CA ILE A 104 12.395 -4.406 9.120 1.00 0.00 C ATOM 1303 C ILE A 104 11.727 -3.075 8.833 1.00 0.00 C ATOM 1304 O ILE A 104 12.164 -2.032 9.321 1.00 0.00 O ATOM 1305 CB ILE A 104 11.953 -4.888 10.518 1.00 0.00 C ATOM 1306 CG1 ILE A 104 12.283 -6.371 10.709 1.00 0.00 C ATOM 1307 CG2 ILE A 104 10.458 -4.649 10.695 1.00 0.00 C ATOM 1308 CD1 ILE A 104 12.231 -6.819 12.151 1.00 0.00 C ATOM 0 H ILE A 104 14.279 -3.792 9.791 1.00 0.00 H new ATOM 0 HA ILE A 104 12.096 -5.172 8.405 1.00 0.00 H new ATOM 0 HB ILE A 104 12.497 -4.321 11.273 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.583 -6.969 10.126 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.279 -6.568 10.311 1.00 0.00 H new ATOM 0 HG21 ILE A 104 10.149 -4.990 11.683 1.00 0.00 H new ATOM 0 HG22 ILE A 104 10.246 -3.584 10.596 1.00 0.00 H new ATOM 0 HG23 ILE A 104 9.909 -5.201 9.932 1.00 0.00 H new ATOM 0 HD11 ILE A 104 12.475 -7.880 12.212 1.00 0.00 H new ATOM 0 HD12 ILE A 104 12.951 -6.247 12.736 1.00 0.00 H new ATOM 0 HD13 ILE A 104 11.229 -6.654 12.547 1.00 0.00 H new ATOM 1320 N ASP A 105 10.685 -3.115 8.037 1.00 0.00 N ATOM 1321 CA ASP A 105 9.935 -1.929 7.714 1.00 0.00 C ATOM 1322 C ASP A 105 8.557 -1.986 8.347 1.00 0.00 C ATOM 1323 O ASP A 105 7.666 -2.682 7.858 1.00 0.00 O ATOM 1324 CB ASP A 105 9.799 -1.811 6.206 1.00 0.00 C ATOM 1325 CG ASP A 105 9.728 -0.373 5.744 1.00 0.00 C ATOM 1326 OD1 ASP A 105 10.690 0.381 5.993 1.00 0.00 O ATOM 1327 OD2 ASP A 105 8.709 0.013 5.136 1.00 0.00 O ATOM 0 H ASP A 105 10.336 -3.967 7.598 1.00 0.00 H new ATOM 0 HA ASP A 105 10.464 -1.060 8.104 1.00 0.00 H new ATOM 0 HB2 ASP A 105 10.647 -2.302 5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.902 -2.338 5.883 1.00 0.00 H new ATOM 1332 N ASN A 106 8.386 -1.273 9.443 1.00 0.00 N ATOM 1333 CA ASN A 106 7.090 -1.179 10.088 1.00 0.00 C ATOM 1334 C ASN A 106 6.789 0.269 10.427 1.00 0.00 C ATOM 1335 O ASN A 106 7.328 0.822 11.385 1.00 0.00 O ATOM 1336 CB ASN A 106 7.036 -2.043 11.352 1.00 0.00 C ATOM 1337 CG ASN A 106 5.684 -1.971 12.038 1.00 0.00 C ATOM 1338 OD1 ASN A 106 4.615 -2.130 11.271 1.00 0.00 O flip ATOM 1339 ND2 ASN A 106 5.600 -1.781 13.251 1.00 0.00 N flip ATOM 0 H ASN A 106 9.129 -0.750 9.906 1.00 0.00 H new ATOM 0 HA ASN A 106 6.334 -1.552 9.396 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.255 -3.079 11.092 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.811 -1.718 12.046 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.446 -1.663 13.809 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.684 -1.742 13.699 1.00 0.00 H new ATOM 1346 N LYS A 107 5.951 0.887 9.620 1.00 0.00 N ATOM 1347 CA LYS A 107 5.584 2.273 9.826 1.00 0.00 C ATOM 1348 C LYS A 107 4.083 2.382 10.029 1.00 0.00 C ATOM 1349 O LYS A 107 3.315 1.797 9.266 1.00 0.00 O ATOM 1350 CB LYS A 107 6.029 3.126 8.636 1.00 0.00 C ATOM 1351 CG LYS A 107 7.505 3.501 8.675 1.00 0.00 C ATOM 1352 CD LYS A 107 8.361 2.501 7.907 1.00 0.00 C ATOM 1353 CE LYS A 107 9.550 2.028 8.733 1.00 0.00 C ATOM 1354 NZ LYS A 107 10.822 2.106 7.969 1.00 0.00 N ATOM 0 H LYS A 107 5.509 0.449 8.812 1.00 0.00 H new ATOM 0 HA LYS A 107 6.088 2.645 10.718 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.825 2.583 7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.431 4.037 8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.639 4.496 8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.841 3.548 9.711 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.752 1.643 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.718 2.960 6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.630 2.635 9.635 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.382 1.000 9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.625 2.109 8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.898 1.284 7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.835 2.979 7.405 1.00 0.00 H new ATOM 1368 N PRO A 108 3.656 3.111 11.075 1.00 0.00 N ATOM 1369 CA PRO A 108 2.238 3.308 11.396 1.00 0.00 C ATOM 1370 C PRO A 108 1.425 3.737 10.185 1.00 0.00 C ATOM 1371 O PRO A 108 1.917 4.469 9.323 1.00 0.00 O ATOM 1372 CB PRO A 108 2.267 4.431 12.431 1.00 0.00 C ATOM 1373 CG PRO A 108 3.585 4.283 13.099 1.00 0.00 C ATOM 1374 CD PRO A 108 4.535 3.801 12.037 1.00 0.00 C ATOM 0 HA PRO A 108 1.769 2.389 11.747 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.168 5.409 11.959 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.447 4.336 13.143 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.918 5.232 13.519 1.00 0.00 H new ATOM 0 HG3 PRO A 108 3.527 3.572 13.923 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.069 4.629 11.570 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.287 3.128 12.447 1.00 0.00 H new ATOM 1382 N ALA A 109 0.176 3.294 10.129 1.00 0.00 N ATOM 1383 CA ALA A 109 -0.715 3.638 9.028 1.00 0.00 C ATOM 1384 C ALA A 109 -1.203 5.077 9.134 1.00 0.00 C ATOM 1385 O ALA A 109 -2.402 5.350 9.066 1.00 0.00 O ATOM 1386 CB ALA A 109 -1.895 2.689 8.985 1.00 0.00 C ATOM 0 H ALA A 109 -0.245 2.692 10.837 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.148 3.542 8.102 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.550 2.960 8.157 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.537 1.669 8.845 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.448 2.754 9.922 1.00 0.00 H new ATOM 1392 N LEU A 110 -0.264 5.996 9.292 1.00 0.00 N ATOM 1393 CA LEU A 110 -0.576 7.409 9.325 1.00 0.00 C ATOM 1394 C LEU A 110 -0.867 7.885 7.911 1.00 0.00 C ATOM 1395 O LEU A 110 -1.437 8.951 7.702 1.00 0.00 O ATOM 1396 CB LEU A 110 0.583 8.202 9.937 1.00 0.00 C ATOM 1397 CG LEU A 110 0.315 8.782 11.331 1.00 0.00 C ATOM 1398 CD1 LEU A 110 -0.736 9.879 11.264 1.00 0.00 C ATOM 1399 CD2 LEU A 110 -0.120 7.688 12.298 1.00 0.00 C ATOM 0 H LEU A 110 0.728 5.782 9.400 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.455 7.573 9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.456 7.552 9.993 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.837 9.020 9.264 1.00 0.00 H new ATOM 0 HG LEU A 110 1.244 9.216 11.700 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.911 10.277 12.264 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.386 10.679 10.611 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.665 9.469 10.869 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.304 8.123 13.280 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.033 7.220 11.931 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.666 6.937 12.376 1.00 0.00 H new ATOM 1411 N SER A 111 -0.468 7.064 6.945 1.00 0.00 N ATOM 1412 CA SER A 111 -0.784 7.299 5.547 1.00 0.00 C ATOM 1413 C SER A 111 -2.273 7.076 5.301 1.00 0.00 C ATOM 1414 O SER A 111 -2.828 7.531 4.297 1.00 0.00 O ATOM 1415 CB SER A 111 0.050 6.361 4.678 1.00 0.00 C ATOM 1416 OG SER A 111 0.788 5.455 5.488 1.00 0.00 O ATOM 0 H SER A 111 0.081 6.221 7.112 1.00 0.00 H new ATOM 0 HA SER A 111 -0.547 8.331 5.287 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.601 5.806 4.003 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.732 6.942 4.057 1.00 0.00 H new ATOM 0 HG SER A 111 0.178 4.798 5.883 1.00 0.00 H new ATOM 1422 N GLY A 112 -2.908 6.354 6.224 1.00 0.00 N ATOM 1423 CA GLY A 112 -4.342 6.185 6.185 1.00 0.00 C ATOM 1424 C GLY A 112 -5.030 7.498 6.462 1.00 0.00 C ATOM 1425 O GLY A 112 -4.916 8.032 7.570 1.00 0.00 O ATOM 0 H GLY A 112 -2.445 5.882 7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -4.644 5.807 5.208 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -4.648 5.443 6.923 1.00 0.00 H new ATOM 1429 N ASN A 113 -5.717 8.020 5.448 1.00 0.00 N ATOM 1430 CA ASN A 113 -6.276 9.374 5.480 1.00 0.00 C ATOM 1431 C ASN A 113 -5.144 10.390 5.351 1.00 0.00 C ATOM 1432 O ASN A 113 -4.978 11.006 4.296 1.00 0.00 O ATOM 1433 CB ASN A 113 -7.092 9.621 6.766 1.00 0.00 C ATOM 1434 CG ASN A 113 -7.496 11.076 6.958 1.00 0.00 C ATOM 1435 OD1 ASN A 113 -6.693 11.911 7.385 1.00 0.00 O ATOM 1436 ND2 ASN A 113 -8.752 11.379 6.673 1.00 0.00 N ATOM 0 H ASN A 113 -5.903 7.518 4.580 1.00 0.00 H new ATOM 0 HA ASN A 113 -6.962 9.488 4.641 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -7.990 9.003 6.742 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -6.506 9.298 7.626 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -9.089 12.333 6.804 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.383 10.659 6.322 1.00 0.00 H new ATOM 1443 N LEU A 114 -4.354 10.497 6.424 1.00 0.00 N ATOM 1444 CA LEU A 114 -3.226 11.426 6.540 1.00 0.00 C ATOM 1445 C LEU A 114 -2.955 11.679 8.017 1.00 0.00 C ATOM 1446 O LEU A 114 -1.806 11.741 8.462 1.00 0.00 O ATOM 1447 CB LEU A 114 -3.501 12.765 5.844 1.00 0.00 C ATOM 1448 CG LEU A 114 -2.522 13.889 6.185 1.00 0.00 C ATOM 1449 CD1 LEU A 114 -1.143 13.596 5.608 1.00 0.00 C ATOM 1450 CD2 LEU A 114 -3.045 15.218 5.666 1.00 0.00 C ATOM 0 H LEU A 114 -4.485 9.924 7.258 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.364 10.973 6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.485 12.606 4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.508 13.091 6.103 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.431 13.950 7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.462 14.408 5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.765 12.662 6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.213 13.508 4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.338 16.010 5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.163 15.165 4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.009 15.434 6.126 1.00 0.00 H new ATOM 1462 N GLU A 115 -4.035 11.809 8.773 1.00 0.00 N ATOM 1463 CA GLU A 115 -3.947 12.089 10.193 1.00 0.00 C ATOM 1464 C GLU A 115 -4.922 11.212 10.977 1.00 0.00 C ATOM 1465 O GLU A 115 -6.023 11.646 11.315 1.00 0.00 O ATOM 1466 CB GLU A 115 -4.249 13.563 10.453 1.00 0.00 C ATOM 1467 CG GLU A 115 -3.016 14.447 10.429 1.00 0.00 C ATOM 1468 CD GLU A 115 -3.059 15.492 9.337 1.00 0.00 C ATOM 1469 OE1 GLU A 115 -4.168 15.955 8.988 1.00 0.00 O ATOM 1470 OE2 GLU A 115 -1.983 15.860 8.829 1.00 0.00 O ATOM 0 H GLU A 115 -4.988 11.724 8.420 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.934 11.865 10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -4.956 13.919 9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.737 13.660 11.423 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -2.912 14.942 11.394 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.132 13.824 10.294 1.00 0.00 H new ATOM 1477 N HIS A 116 -4.522 9.972 11.253 1.00 0.00 N ATOM 1478 CA HIS A 116 -5.365 9.050 12.017 1.00 0.00 C ATOM 1479 C HIS A 116 -5.556 9.561 13.446 1.00 0.00 C ATOM 1480 O HIS A 116 -6.640 9.455 14.019 1.00 0.00 O ATOM 1481 CB HIS A 116 -4.751 7.642 12.032 1.00 0.00 C ATOM 1482 CG HIS A 116 -5.633 6.606 12.671 1.00 0.00 C ATOM 1483 ND1 HIS A 116 -6.551 5.853 11.969 1.00 0.00 N ATOM 1484 CD2 HIS A 116 -5.738 6.212 13.961 1.00 0.00 C ATOM 1485 CE1 HIS A 116 -7.187 5.051 12.804 1.00 0.00 C ATOM 1486 NE2 HIS A 116 -6.712 5.247 14.018 1.00 0.00 N ATOM 0 H HIS A 116 -3.625 9.583 10.962 1.00 0.00 H new ATOM 0 HA HIS A 116 -6.340 8.996 11.533 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -4.533 7.339 11.008 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -3.800 7.675 12.564 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -5.161 6.588 14.793 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -7.966 4.352 12.537 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -7.018 4.761 14.861 1.00 0.00 H new ATOM 1495 N HIS A 117 -4.487 10.104 14.011 1.00 0.00 N ATOM 1496 CA HIS A 117 -4.525 10.715 15.336 1.00 0.00 C ATOM 1497 C HIS A 117 -3.494 11.832 15.390 1.00 0.00 C ATOM 1498 O HIS A 117 -2.431 11.685 15.991 1.00 0.00 O ATOM 1499 CB HIS A 117 -4.244 9.679 16.426 1.00 0.00 C ATOM 1500 CG HIS A 117 -5.116 9.823 17.638 1.00 0.00 C ATOM 1501 ND1 HIS A 117 -4.849 10.710 18.662 1.00 0.00 N ATOM 1502 CD2 HIS A 117 -6.253 9.180 17.990 1.00 0.00 C ATOM 1503 CE1 HIS A 117 -5.785 10.603 19.589 1.00 0.00 C ATOM 1504 NE2 HIS A 117 -6.647 9.684 19.204 1.00 0.00 N ATOM 0 H HIS A 117 -3.570 10.134 13.566 1.00 0.00 H new ATOM 0 HA HIS A 117 -5.521 11.121 15.515 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -4.379 8.681 16.009 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -3.200 9.759 16.729 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -6.757 8.413 17.421 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -5.835 11.172 20.506 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -7.475 9.394 19.725 1.00 0.00 H new ATOM 1513 N HIS A 118 -3.821 12.937 14.741 1.00 0.00 N ATOM 1514 CA HIS A 118 -2.880 14.030 14.534 1.00 0.00 C ATOM 1515 C HIS A 118 -3.606 15.186 13.859 1.00 0.00 C ATOM 1516 O HIS A 118 -4.669 14.987 13.272 1.00 0.00 O ATOM 1517 CB HIS A 118 -1.717 13.545 13.648 1.00 0.00 C ATOM 1518 CG HIS A 118 -0.522 14.452 13.608 1.00 0.00 C ATOM 1519 ND1 HIS A 118 0.484 14.414 14.545 1.00 0.00 N ATOM 1520 CD2 HIS A 118 -0.162 15.402 12.714 1.00 0.00 C ATOM 1521 CE1 HIS A 118 1.412 15.298 14.230 1.00 0.00 C ATOM 1522 NE2 HIS A 118 1.045 15.913 13.123 1.00 0.00 N ATOM 0 H HIS A 118 -4.745 13.104 14.342 1.00 0.00 H new ATOM 0 HA HIS A 118 -2.479 14.364 15.491 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -1.397 12.565 14.001 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -2.087 13.413 12.631 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -0.721 15.703 11.840 1.00 0.00 H new ATOM 0 HE1 HIS A 118 2.319 15.486 14.785 1.00 0.00 H new ATOM 0 HE2 HIS A 118 1.571 16.647 12.649 1.00 0.00 H new ATOM 1531 N HIS A 119 -3.065 16.384 13.959 1.00 0.00 N ATOM 1532 CA HIS A 119 -3.610 17.510 13.221 1.00 0.00 C ATOM 1533 C HIS A 119 -2.511 18.212 12.441 1.00 0.00 C ATOM 1534 O HIS A 119 -1.402 18.390 12.942 1.00 0.00 O ATOM 1535 CB HIS A 119 -4.318 18.487 14.157 1.00 0.00 C ATOM 1536 CG HIS A 119 -5.810 18.475 13.996 1.00 0.00 C ATOM 1537 ND1 HIS A 119 -6.669 18.038 14.977 1.00 0.00 N ATOM 1538 CD2 HIS A 119 -6.591 18.826 12.947 1.00 0.00 C ATOM 1539 CE1 HIS A 119 -7.911 18.122 14.542 1.00 0.00 C ATOM 1540 NE2 HIS A 119 -7.895 18.596 13.311 1.00 0.00 N ATOM 0 H HIS A 119 -2.255 16.604 14.539 1.00 0.00 H new ATOM 0 HA HIS A 119 -4.348 17.130 12.514 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -4.067 18.240 15.189 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -3.946 19.494 13.971 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -6.251 19.215 11.999 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -8.794 17.848 15.100 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -8.714 18.764 12.727 1.00 0.00 H new ATOM 1549 N HIS A 120 -2.822 18.578 11.207 1.00 0.00 N ATOM 1550 CA HIS A 120 -1.854 19.199 10.312 1.00 0.00 C ATOM 1551 C HIS A 120 -1.385 20.545 10.842 1.00 0.00 C ATOM 1552 O HIS A 120 -2.188 21.354 11.307 1.00 0.00 O ATOM 1553 CB HIS A 120 -2.465 19.390 8.925 1.00 0.00 C ATOM 1554 CG HIS A 120 -1.521 19.098 7.802 1.00 0.00 C ATOM 1555 ND1 HIS A 120 -1.292 17.830 7.331 1.00 0.00 N ATOM 1556 CD2 HIS A 120 -0.753 19.920 7.053 1.00 0.00 C ATOM 1557 CE1 HIS A 120 -0.432 17.880 6.337 1.00 0.00 C ATOM 1558 NE2 HIS A 120 -0.085 19.137 6.145 1.00 0.00 N ATOM 0 H HIS A 120 -3.748 18.454 10.798 1.00 0.00 H new ATOM 0 HA HIS A 120 -0.993 18.534 10.250 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -3.337 18.743 8.831 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -2.818 20.417 8.832 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -1.722 16.980 7.695 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -0.679 20.993 7.151 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -0.071 17.033 5.773 1.00 0.00 H new ATOM 1567 N HIS A 121 -0.086 20.776 10.763 1.00 0.00 N ATOM 1568 CA HIS A 121 0.487 22.048 11.166 1.00 0.00 C ATOM 1569 C HIS A 121 0.715 22.919 9.941 1.00 0.00 C ATOM 1570 O HIS A 121 1.146 22.375 8.905 1.00 0.00 O ATOM 1571 CB HIS A 121 1.804 21.829 11.912 1.00 0.00 C ATOM 1572 CG HIS A 121 2.204 22.991 12.767 1.00 0.00 C ATOM 1573 ND1 HIS A 121 1.427 23.468 13.799 1.00 0.00 N ATOM 1574 CD2 HIS A 121 3.311 23.766 12.745 1.00 0.00 C ATOM 1575 CE1 HIS A 121 2.038 24.489 14.372 1.00 0.00 C ATOM 1576 NE2 HIS A 121 3.187 24.690 13.755 1.00 0.00 N ATOM 1577 OXT HIS A 121 0.442 24.132 10.012 1.00 0.00 O ATOM 0 H HIS A 121 0.594 20.096 10.422 1.00 0.00 H new ATOM 0 HA HIS A 121 -0.208 22.551 11.838 1.00 0.00 H new ATOM 0 HB2 HIS A 121 1.715 20.941 12.538 1.00 0.00 H new ATOM 0 HB3 HIS A 121 2.594 21.631 11.188 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.141 23.676 12.060 1.00 0.00 H new ATOM 0 HE1 HIS A 121 1.661 25.063 15.205 1.00 0.00 H new ATOM 0 HE2 HIS A 121 3.870 25.411 13.989 1.00 0.00 H new TER 1586 HIS A 121