USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 822 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 30 TYR OH : rot -76:sc= 0.31 USER MOD Set 1.2: A 32 SER OG : rot 130:sc= 0.363 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 174:sc= -0.9 (180deg=-0.937) USER MOD Set 2.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 1 SER N :NH3+ -139:sc= -2.57! (180deg=-5.25!) USER MOD Set 3.2: A 17 SER OG : rot 140:sc= -0.322 USER MOD Single : A 1 SER OG : rot 180:sc= -0.425! USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= -0.0604 (180deg=-0.508) USER MOD Single : A 10 SER OG : rot -15:sc= 0.711 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 61:sc= 0.639 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -72:sc= 0.565 USER MOD Single : A 36 THR OG1 : rot -36:sc= 0.149 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0238 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -140:sc= 0.307 USER MOD Single : A 54 SER OG : rot -126:sc= -0.0576 USER MOD Single : A 55 SER OG : rot -108:sc= 1.17 USER MOD Single : A 58 LYS NZ :NH3+ -163:sc= -0.0583 (180deg=-0.473) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 63 SER OG : rot 2:sc= 0.343! USER MOD Single : A 70 ASN : amide:sc= -1.65 K(o=-1.7,f=-7.1!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.0468 F(o=-1.9!,f=-0.047) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 29:sc= 0.985 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0258 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 130:sc= -0.874 USER MOD Single : A 92 SER OG : rot 180:sc= -0.868 USER MOD Single : A 94 ASN : amide:sc= -0.0744 K(o=-0.074,f=-3.7!) USER MOD Single : A 96 ASN : amide:sc= -0.0188 K(o=-0.019,f=-1.8!) USER MOD Single : A 101 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-3.8!) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 103 HIS : no HE2:sc= 0.0863 K(o=0.086,f=-5.3!) USER MOD Single : A 104 HIS : no HD1:sc= -0.833 X(o=-0.83,f=-0.78) USER MOD Single : A 105 HIS :FLIP no HD1:sc= -0.151 F(o=-0.73,f=-0.15) USER MOD Single : A 106 HIS : no HD1:sc= -3.18! C(o=-3.2!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.125 0.891 -1.939 1.00 0.00 N ATOM 2 CA SER A 1 -10.459 0.230 -2.018 1.00 0.00 C ATOM 3 C SER A 1 -10.320 -1.265 -1.714 1.00 0.00 C ATOM 4 O SER A 1 -10.083 -1.661 -0.590 1.00 0.00 O ATOM 5 CB SER A 1 -11.038 0.412 -3.421 1.00 0.00 C ATOM 6 OG SER A 1 -12.134 -0.477 -3.591 1.00 0.00 O ATOM 0 H1 SER A 1 -9.221 1.812 -1.466 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.471 0.290 -1.397 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.750 1.032 -2.899 1.00 0.00 H new ATOM 0 HA SER A 1 -11.126 0.685 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.364 1.442 -3.562 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.273 0.214 -4.172 1.00 0.00 H new ATOM 0 HG SER A 1 -12.511 -0.364 -4.489 1.00 0.00 H new ATOM 14 N ASP A 2 -10.475 -2.095 -2.710 1.00 0.00 N ATOM 15 CA ASP A 2 -10.365 -3.567 -2.493 1.00 0.00 C ATOM 16 C ASP A 2 -8.908 -3.955 -2.246 1.00 0.00 C ATOM 17 O ASP A 2 -7.993 -3.313 -2.723 1.00 0.00 O ATOM 18 CB ASP A 2 -10.886 -4.298 -3.731 1.00 0.00 C ATOM 19 CG ASP A 2 -12.409 -4.172 -3.796 1.00 0.00 C ATOM 20 OD1 ASP A 2 -12.994 -3.771 -2.804 1.00 0.00 O ATOM 21 OD2 ASP A 2 -12.965 -4.476 -4.839 1.00 0.00 O ATOM 0 H ASP A 2 -10.674 -1.815 -3.670 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.957 -3.847 -1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.437 -3.877 -4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.599 -5.349 -3.693 1.00 0.00 H new ATOM 26 N LEU A 3 -8.687 -5.005 -1.500 1.00 0.00 N ATOM 27 CA LEU A 3 -7.294 -5.446 -1.216 1.00 0.00 C ATOM 28 C LEU A 3 -6.699 -6.109 -2.458 1.00 0.00 C ATOM 29 O LEU A 3 -7.250 -7.047 -2.997 1.00 0.00 O ATOM 30 CB LEU A 3 -7.322 -6.447 -0.057 1.00 0.00 C ATOM 31 CG LEU A 3 -5.924 -7.030 0.184 1.00 0.00 C ATOM 32 CD1 LEU A 3 -4.909 -5.899 0.411 1.00 0.00 C ATOM 33 CD2 LEU A 3 -5.978 -7.932 1.418 1.00 0.00 C ATOM 0 H LEU A 3 -9.416 -5.577 -1.074 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.680 -4.586 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.678 -5.955 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.024 -7.251 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.611 -7.605 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.921 -6.326 0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.880 -5.255 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.206 -5.313 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.991 -8.355 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.290 -7.347 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.692 -8.738 1.249 1.00 0.00 H new ATOM 45 N VAL A 4 -5.566 -5.630 -2.909 1.00 0.00 N ATOM 46 CA VAL A 4 -4.906 -6.225 -4.112 1.00 0.00 C ATOM 47 C VAL A 4 -3.398 -6.302 -3.872 1.00 0.00 C ATOM 48 O VAL A 4 -2.864 -5.662 -2.989 1.00 0.00 O ATOM 49 CB VAL A 4 -5.193 -5.367 -5.346 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.688 -5.418 -5.664 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.772 -3.920 -5.078 1.00 0.00 C ATOM 0 H VAL A 4 -5.066 -4.845 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.300 -7.227 -4.283 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.628 -5.752 -6.195 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.894 -4.807 -6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.983 -6.449 -5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.254 -5.035 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.978 -3.312 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.332 -3.529 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.706 -3.887 -4.855 1.00 0.00 H new ATOM 61 N LYS A 5 -2.711 -7.093 -4.647 1.00 0.00 N ATOM 62 CA LYS A 5 -1.239 -7.235 -4.468 1.00 0.00 C ATOM 63 C LYS A 5 -0.511 -5.994 -4.997 1.00 0.00 C ATOM 64 O LYS A 5 -0.975 -5.323 -5.898 1.00 0.00 O ATOM 65 CB LYS A 5 -0.764 -8.467 -5.233 1.00 0.00 C ATOM 66 CG LYS A 5 -1.347 -9.719 -4.577 1.00 0.00 C ATOM 67 CD LYS A 5 -0.873 -10.959 -5.333 1.00 0.00 C ATOM 68 CE LYS A 5 -1.394 -12.211 -4.627 1.00 0.00 C ATOM 69 NZ LYS A 5 -2.885 -12.206 -4.644 1.00 0.00 N ATOM 0 H LYS A 5 -3.109 -7.651 -5.402 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.017 -7.342 -3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.079 -8.407 -6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.325 -8.514 -5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.035 -9.775 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.436 -9.671 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.232 -10.931 -6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.216 -10.978 -5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.017 -13.105 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.031 -12.240 -3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.238 -13.165 -4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.238 -11.554 -3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.220 -11.895 -5.578 1.00 0.00 H new ATOM 83 N ILE A 6 0.632 -5.694 -4.438 1.00 0.00 N ATOM 84 CA ILE A 6 1.406 -4.501 -4.882 1.00 0.00 C ATOM 85 C ILE A 6 1.801 -4.662 -6.355 1.00 0.00 C ATOM 86 O ILE A 6 1.719 -3.734 -7.137 1.00 0.00 O ATOM 87 CB ILE A 6 2.673 -4.381 -4.029 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.279 -4.048 -2.588 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.566 -3.266 -4.584 1.00 0.00 C ATOM 90 CD1 ILE A 6 3.502 -4.189 -1.682 1.00 0.00 C ATOM 0 H ILE A 6 1.065 -6.230 -3.686 1.00 0.00 H new ATOM 0 HA ILE A 6 0.795 -3.606 -4.768 1.00 0.00 H new ATOM 0 HB ILE A 6 3.219 -5.324 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.886 -3.033 -2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.485 -4.716 -2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.466 -3.184 -3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.844 -3.500 -5.612 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.024 -2.320 -4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.223 -3.952 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.874 -5.212 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.282 -3.503 -2.014 1.00 0.00 H new ATOM 102 N ARG A 7 2.237 -5.831 -6.730 1.00 0.00 N ATOM 103 CA ARG A 7 2.654 -6.068 -8.141 1.00 0.00 C ATOM 104 C ARG A 7 1.489 -5.795 -9.100 1.00 0.00 C ATOM 105 O ARG A 7 1.694 -5.378 -10.224 1.00 0.00 O ATOM 106 CB ARG A 7 3.104 -7.523 -8.289 1.00 0.00 C ATOM 107 CG ARG A 7 4.427 -7.728 -7.549 1.00 0.00 C ATOM 108 CD ARG A 7 4.834 -9.200 -7.632 1.00 0.00 C ATOM 109 NE ARG A 7 3.882 -10.019 -6.830 1.00 0.00 N ATOM 110 CZ ARG A 7 4.022 -11.316 -6.766 1.00 0.00 C ATOM 111 NH1 ARG A 7 5.001 -11.903 -7.399 1.00 0.00 N ATOM 112 NH2 ARG A 7 3.181 -12.027 -6.065 1.00 0.00 N ATOM 0 H ARG A 7 2.323 -6.640 -6.115 1.00 0.00 H new ATOM 0 HA ARG A 7 3.474 -5.393 -8.388 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.343 -8.192 -7.887 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.223 -7.772 -9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.202 -7.100 -7.987 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.324 -7.426 -6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.832 -9.532 -8.670 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.849 -9.330 -7.257 1.00 0.00 H new ATOM 0 HE ARG A 7 3.118 -9.565 -6.329 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.660 -11.349 -7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.107 -12.916 -7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.416 -11.570 -5.569 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.289 -13.040 -6.014 1.00 0.00 H new ATOM 126 N ASP A 8 0.275 -6.036 -8.680 1.00 0.00 N ATOM 127 CA ASP A 8 -0.886 -5.801 -9.589 1.00 0.00 C ATOM 128 C ASP A 8 -1.302 -4.327 -9.558 1.00 0.00 C ATOM 129 O ASP A 8 -2.346 -3.961 -10.063 1.00 0.00 O ATOM 130 CB ASP A 8 -2.058 -6.697 -9.160 1.00 0.00 C ATOM 131 CG ASP A 8 -2.619 -6.252 -7.807 1.00 0.00 C ATOM 132 OD1 ASP A 8 -2.725 -5.060 -7.577 1.00 0.00 O ATOM 133 OD2 ASP A 8 -2.936 -7.126 -7.019 1.00 0.00 O ATOM 0 H ASP A 8 0.037 -6.384 -7.751 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.597 -6.050 -10.610 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.844 -6.660 -9.914 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.725 -7.733 -9.097 1.00 0.00 H new ATOM 138 N VAL A 9 -0.502 -3.481 -8.970 1.00 0.00 N ATOM 139 CA VAL A 9 -0.857 -2.033 -8.905 1.00 0.00 C ATOM 140 C VAL A 9 -0.794 -1.414 -10.302 1.00 0.00 C ATOM 141 O VAL A 9 0.158 -1.596 -11.032 1.00 0.00 O ATOM 142 CB VAL A 9 0.133 -1.322 -7.974 1.00 0.00 C ATOM 143 CG1 VAL A 9 -0.030 0.198 -8.094 1.00 0.00 C ATOM 144 CG2 VAL A 9 -0.140 -1.754 -6.528 1.00 0.00 C ATOM 0 H VAL A 9 0.384 -3.729 -8.530 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.871 -1.921 -8.521 1.00 0.00 H new ATOM 0 HB VAL A 9 1.151 -1.591 -8.256 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.677 0.693 -7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.163 0.505 -9.122 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.046 0.478 -7.816 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.560 -1.252 -5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.160 -1.484 -6.254 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.015 -2.833 -6.441 1.00 0.00 H new ATOM 154 N SER A 10 -1.807 -0.678 -10.676 1.00 0.00 N ATOM 155 CA SER A 10 -1.809 -0.043 -12.023 1.00 0.00 C ATOM 156 C SER A 10 -2.825 1.102 -12.065 1.00 0.00 C ATOM 157 O SER A 10 -3.624 1.279 -11.168 1.00 0.00 O ATOM 158 CB SER A 10 -2.173 -1.085 -13.078 1.00 0.00 C ATOM 159 OG SER A 10 -1.211 -2.131 -13.058 1.00 0.00 O ATOM 0 H SER A 10 -2.632 -0.490 -10.106 1.00 0.00 H new ATOM 0 HA SER A 10 -0.815 0.355 -12.228 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.167 -1.486 -12.881 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.205 -0.624 -14.065 1.00 0.00 H new ATOM 0 HG SER A 10 -0.422 -1.841 -12.554 1.00 0.00 H new ATOM 165 N LEU A 11 -2.797 1.876 -13.112 1.00 0.00 N ATOM 166 CA LEU A 11 -3.748 3.011 -13.243 1.00 0.00 C ATOM 167 C LEU A 11 -5.178 2.475 -13.335 1.00 0.00 C ATOM 168 O LEU A 11 -6.112 3.092 -12.855 1.00 0.00 O ATOM 169 CB LEU A 11 -3.416 3.793 -14.513 1.00 0.00 C ATOM 170 CG LEU A 11 -1.926 4.150 -14.517 1.00 0.00 C ATOM 171 CD1 LEU A 11 -1.590 4.900 -15.806 1.00 0.00 C ATOM 172 CD2 LEU A 11 -1.592 5.031 -13.301 1.00 0.00 C ATOM 0 H LEU A 11 -2.148 1.769 -13.891 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.664 3.663 -12.373 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.661 3.199 -15.393 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.019 4.700 -14.563 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.336 3.235 -14.462 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.530 5.156 -15.812 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.816 4.267 -16.664 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.184 5.812 -15.861 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.531 5.280 -13.312 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.180 5.948 -13.343 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.828 4.491 -12.384 1.00 0.00 H new ATOM 184 N SER A 12 -5.358 1.340 -13.956 1.00 0.00 N ATOM 185 CA SER A 12 -6.728 0.771 -14.090 1.00 0.00 C ATOM 186 C SER A 12 -7.411 0.742 -12.723 1.00 0.00 C ATOM 187 O SER A 12 -8.618 0.634 -12.630 1.00 0.00 O ATOM 188 CB SER A 12 -6.637 -0.649 -14.645 1.00 0.00 C ATOM 189 OG SER A 12 -7.948 -1.152 -14.859 1.00 0.00 O ATOM 0 H SER A 12 -4.614 0.783 -14.376 1.00 0.00 H new ATOM 0 HA SER A 12 -7.311 1.392 -14.770 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.077 -0.652 -15.580 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.098 -1.291 -13.948 1.00 0.00 H new ATOM 0 HG SER A 12 -7.895 -2.063 -15.217 1.00 0.00 H new ATOM 195 N THR A 13 -6.647 0.846 -11.664 1.00 0.00 N ATOM 196 CA THR A 13 -7.233 0.834 -10.286 1.00 0.00 C ATOM 197 C THR A 13 -6.851 2.136 -9.573 1.00 0.00 C ATOM 198 O THR A 13 -5.897 2.178 -8.819 1.00 0.00 O ATOM 199 CB THR A 13 -6.664 -0.355 -9.511 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.297 -0.114 -9.209 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.787 -1.622 -10.358 1.00 0.00 C ATOM 0 H THR A 13 -5.632 0.940 -11.695 1.00 0.00 H new ATOM 0 HA THR A 13 -8.318 0.748 -10.341 1.00 0.00 H new ATOM 0 HB THR A 13 -7.221 -0.485 -8.583 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.222 0.686 -8.647 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.381 -2.470 -9.806 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.837 -1.806 -10.586 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.231 -1.494 -11.287 1.00 0.00 H new ATOM 209 N PRO A 14 -7.587 3.196 -9.811 1.00 0.00 N ATOM 210 CA PRO A 14 -7.311 4.519 -9.181 1.00 0.00 C ATOM 211 C PRO A 14 -7.181 4.416 -7.659 1.00 0.00 C ATOM 212 O PRO A 14 -6.320 5.030 -7.063 1.00 0.00 O ATOM 213 CB PRO A 14 -8.530 5.376 -9.566 1.00 0.00 C ATOM 214 CG PRO A 14 -9.072 4.744 -10.810 1.00 0.00 C ATOM 215 CD PRO A 14 -8.759 3.249 -10.703 1.00 0.00 C ATOM 0 HA PRO A 14 -6.365 4.941 -9.522 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.275 5.383 -8.770 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.243 6.413 -9.743 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.146 4.911 -10.895 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.611 5.175 -11.698 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.601 2.693 -10.290 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.539 2.816 -11.679 1.00 0.00 H new ATOM 223 N TYR A 15 -8.034 3.641 -7.035 1.00 0.00 N ATOM 224 CA TYR A 15 -7.983 3.481 -5.548 1.00 0.00 C ATOM 225 C TYR A 15 -7.779 2.006 -5.204 1.00 0.00 C ATOM 226 O TYR A 15 -8.490 1.146 -5.679 1.00 0.00 O ATOM 227 CB TYR A 15 -9.302 3.962 -4.945 1.00 0.00 C ATOM 228 CG TYR A 15 -9.447 5.447 -5.181 1.00 0.00 C ATOM 229 CD1 TYR A 15 -8.627 6.346 -4.487 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.399 5.927 -6.090 1.00 0.00 C ATOM 231 CE1 TYR A 15 -8.758 7.724 -4.702 1.00 0.00 C ATOM 232 CE2 TYR A 15 -10.531 7.304 -6.305 1.00 0.00 C ATOM 233 CZ TYR A 15 -9.710 8.202 -5.611 1.00 0.00 C ATOM 234 OH TYR A 15 -9.841 9.560 -5.822 1.00 0.00 O ATOM 0 H TYR A 15 -8.770 3.107 -7.497 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.158 4.068 -5.144 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.138 3.427 -5.396 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -9.326 3.748 -3.877 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -7.893 5.977 -3.786 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.031 5.234 -6.625 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.125 8.417 -4.167 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.265 7.674 -7.005 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.546 9.722 -6.484 1.00 0.00 H new ATOM 244 N VAL A 16 -6.810 1.704 -4.377 1.00 0.00 N ATOM 245 CA VAL A 16 -6.562 0.281 -3.995 1.00 0.00 C ATOM 246 C VAL A 16 -6.117 0.211 -2.536 1.00 0.00 C ATOM 247 O VAL A 16 -5.665 1.184 -1.967 1.00 0.00 O ATOM 248 CB VAL A 16 -5.469 -0.308 -4.886 1.00 0.00 C ATOM 249 CG1 VAL A 16 -5.987 -0.412 -6.319 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.238 0.601 -4.854 1.00 0.00 C ATOM 0 H VAL A 16 -6.179 2.382 -3.950 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.482 -0.289 -4.123 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.197 -1.299 -4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.210 -0.832 -6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.864 -1.058 -6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.257 0.580 -6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.459 0.181 -5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.508 1.592 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.869 0.679 -3.831 1.00 0.00 H new ATOM 260 N SER A 17 -6.239 -0.942 -1.932 1.00 0.00 N ATOM 261 CA SER A 17 -5.820 -1.116 -0.506 1.00 0.00 C ATOM 262 C SER A 17 -4.675 -2.129 -0.453 1.00 0.00 C ATOM 263 O SER A 17 -4.735 -3.171 -1.073 1.00 0.00 O ATOM 264 CB SER A 17 -7.004 -1.633 0.311 1.00 0.00 C ATOM 265 OG SER A 17 -8.042 -0.664 0.302 1.00 0.00 O ATOM 0 H SER A 17 -6.616 -1.782 -2.370 1.00 0.00 H new ATOM 0 HA SER A 17 -5.490 -0.163 -0.092 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.365 -2.573 -0.106 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.692 -1.838 1.335 1.00 0.00 H new ATOM 0 HG SER A 17 -8.908 -1.113 0.207 1.00 0.00 H new ATOM 271 N VAL A 18 -3.629 -1.828 0.276 1.00 0.00 N ATOM 272 CA VAL A 18 -2.467 -2.770 0.371 1.00 0.00 C ATOM 273 C VAL A 18 -2.018 -2.879 1.827 1.00 0.00 C ATOM 274 O VAL A 18 -2.364 -2.062 2.659 1.00 0.00 O ATOM 275 CB VAL A 18 -1.309 -2.249 -0.483 1.00 0.00 C ATOM 276 CG1 VAL A 18 -1.716 -2.259 -1.957 1.00 0.00 C ATOM 277 CG2 VAL A 18 -0.962 -0.819 -0.059 1.00 0.00 C ATOM 0 H VAL A 18 -3.528 -0.966 0.813 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.768 -3.753 0.008 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.439 -2.890 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.891 -1.888 -2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.961 -3.277 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.587 -1.619 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.137 -0.449 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.832 -0.177 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.670 -0.812 0.991 1.00 0.00 H new ATOM 287 N ILE A 19 -1.256 -3.898 2.136 1.00 0.00 N ATOM 288 CA ILE A 19 -0.771 -4.103 3.536 1.00 0.00 C ATOM 289 C ILE A 19 0.745 -4.274 3.528 1.00 0.00 C ATOM 290 O ILE A 19 1.290 -5.017 2.738 1.00 0.00 O ATOM 291 CB ILE A 19 -1.418 -5.365 4.102 1.00 0.00 C ATOM 292 CG1 ILE A 19 -2.934 -5.165 4.160 1.00 0.00 C ATOM 293 CG2 ILE A 19 -0.876 -5.627 5.508 1.00 0.00 C ATOM 294 CD1 ILE A 19 -3.623 -6.490 4.498 1.00 0.00 C ATOM 0 H ILE A 19 -0.945 -4.605 1.470 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.035 -3.241 4.149 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.187 -6.219 3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.182 -4.415 4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.297 -4.790 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.337 -6.528 5.914 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.205 -5.762 5.462 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.109 -4.779 6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.702 -6.339 4.537 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.387 -7.228 3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.271 -6.847 5.466 1.00 0.00 H new ATOM 306 N GLY A 20 1.438 -3.595 4.401 1.00 0.00 N ATOM 307 CA GLY A 20 2.920 -3.735 4.428 1.00 0.00 C ATOM 308 C GLY A 20 3.519 -2.752 5.435 1.00 0.00 C ATOM 309 O GLY A 20 2.827 -2.211 6.287 1.00 0.00 O ATOM 0 H GLY A 20 1.045 -2.955 5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.192 -4.756 4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.330 -3.547 3.436 1.00 0.00 H new ATOM 313 N LYS A 21 4.805 -2.518 5.339 1.00 0.00 N ATOM 314 CA LYS A 21 5.484 -1.568 6.279 1.00 0.00 C ATOM 315 C LYS A 21 6.232 -0.510 5.475 1.00 0.00 C ATOM 316 O LYS A 21 6.773 -0.785 4.421 1.00 0.00 O ATOM 317 CB LYS A 21 6.461 -2.340 7.167 1.00 0.00 C ATOM 318 CG LYS A 21 7.517 -3.026 6.300 1.00 0.00 C ATOM 319 CD LYS A 21 8.435 -3.861 7.191 1.00 0.00 C ATOM 320 CE LYS A 21 9.482 -4.564 6.327 1.00 0.00 C ATOM 321 NZ LYS A 21 10.371 -5.383 7.197 1.00 0.00 N ATOM 0 H LYS A 21 5.419 -2.946 4.646 1.00 0.00 H new ATOM 0 HA LYS A 21 4.741 -1.079 6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.941 -1.661 7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.923 -3.082 7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.037 -3.661 5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.098 -2.281 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.924 -3.223 7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.851 -4.597 7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.993 -5.198 5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.069 -3.829 5.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.084 -5.862 6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.847 -4.766 7.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.804 -6.093 7.702 1.00 0.00 H new ATOM 335 N ILE A 22 6.245 0.705 5.964 1.00 0.00 N ATOM 336 CA ILE A 22 6.927 1.822 5.242 1.00 0.00 C ATOM 337 C ILE A 22 8.324 2.064 5.820 1.00 0.00 C ATOM 338 O ILE A 22 8.508 2.147 7.023 1.00 0.00 O ATOM 339 CB ILE A 22 6.087 3.100 5.390 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.741 2.929 4.654 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.857 4.294 4.798 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.759 2.095 5.494 1.00 0.00 C ATOM 0 H ILE A 22 5.806 0.973 6.845 1.00 0.00 H new ATOM 0 HA ILE A 22 7.027 1.555 4.190 1.00 0.00 H new ATOM 0 HB ILE A 22 5.894 3.284 6.447 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.308 3.908 4.447 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.907 2.443 3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.260 5.200 4.903 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.801 4.417 5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.056 4.111 3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.818 1.988 4.954 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.185 1.109 5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.577 2.596 6.445 1.00 0.00 H new ATOM 354 N THR A 23 9.310 2.183 4.958 1.00 0.00 N ATOM 355 CA THR A 23 10.714 2.427 5.415 1.00 0.00 C ATOM 356 C THR A 23 11.353 3.534 4.568 1.00 0.00 C ATOM 357 O THR A 23 10.947 3.789 3.450 1.00 0.00 O ATOM 358 CB THR A 23 11.530 1.143 5.253 1.00 0.00 C ATOM 359 OG1 THR A 23 11.525 0.749 3.887 1.00 0.00 O ATOM 360 CG2 THR A 23 10.919 0.036 6.112 1.00 0.00 C ATOM 0 H THR A 23 9.197 2.120 3.946 1.00 0.00 H new ATOM 0 HA THR A 23 10.701 2.731 6.462 1.00 0.00 H new ATOM 0 HB THR A 23 12.556 1.321 5.574 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.049 -0.073 3.782 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.501 -0.878 5.996 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.928 0.341 7.158 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.892 -0.145 5.795 1.00 0.00 H new ATOM 368 N GLY A 24 12.362 4.185 5.088 1.00 0.00 N ATOM 369 CA GLY A 24 13.042 5.263 4.311 1.00 0.00 C ATOM 370 C GLY A 24 12.126 6.482 4.169 1.00 0.00 C ATOM 371 O GLY A 24 11.534 6.702 3.131 1.00 0.00 O ATOM 0 H GLY A 24 12.744 4.016 6.018 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.966 5.552 4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.316 4.890 3.324 1.00 0.00 H new ATOM 375 N ILE A 25 12.011 7.281 5.199 1.00 0.00 N ATOM 376 CA ILE A 25 11.142 8.496 5.122 1.00 0.00 C ATOM 377 C ILE A 25 11.972 9.693 4.642 1.00 0.00 C ATOM 378 O ILE A 25 12.934 10.086 5.272 1.00 0.00 O ATOM 379 CB ILE A 25 10.550 8.781 6.518 1.00 0.00 C ATOM 380 CG1 ILE A 25 9.376 7.830 6.784 1.00 0.00 C ATOM 381 CG2 ILE A 25 10.050 10.229 6.605 1.00 0.00 C ATOM 382 CD1 ILE A 25 9.802 6.388 6.513 1.00 0.00 C ATOM 0 H ILE A 25 12.483 7.144 6.093 1.00 0.00 H new ATOM 0 HA ILE A 25 10.330 8.328 4.415 1.00 0.00 H new ATOM 0 HB ILE A 25 11.331 8.627 7.263 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.041 7.931 7.816 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.531 8.094 6.148 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.636 10.412 7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.881 10.912 6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.278 10.393 5.853 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.963 5.719 6.704 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.115 6.290 5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.633 6.125 7.168 1.00 0.00 H new ATOM 394 N HIS A 26 11.590 10.278 3.534 1.00 0.00 N ATOM 395 CA HIS A 26 12.323 11.465 2.993 1.00 0.00 C ATOM 396 C HIS A 26 11.392 12.677 3.042 1.00 0.00 C ATOM 397 O HIS A 26 10.312 12.656 2.489 1.00 0.00 O ATOM 398 CB HIS A 26 12.734 11.182 1.548 1.00 0.00 C ATOM 399 CG HIS A 26 13.736 10.063 1.537 1.00 0.00 C ATOM 400 ND1 HIS A 26 13.357 8.732 1.469 1.00 0.00 N ATOM 401 CD2 HIS A 26 15.108 10.060 1.605 1.00 0.00 C ATOM 402 CE1 HIS A 26 14.478 7.990 1.496 1.00 0.00 C ATOM 403 NE2 HIS A 26 15.574 8.749 1.578 1.00 0.00 N ATOM 0 H HIS A 26 10.791 9.980 2.974 1.00 0.00 H new ATOM 0 HA HIS A 26 13.215 11.665 3.586 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.861 10.912 0.954 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.163 12.076 1.096 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.730 10.941 1.670 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.491 6.911 1.456 1.00 0.00 H new ATOM 0 HE2 HIS A 26 16.544 8.435 1.613 1.00 0.00 H new ATOM 411 N LYS A 27 11.792 13.722 3.712 1.00 0.00 N ATOM 412 CA LYS A 27 10.921 14.928 3.814 1.00 0.00 C ATOM 413 C LYS A 27 11.144 15.843 2.608 1.00 0.00 C ATOM 414 O LYS A 27 12.261 16.112 2.218 1.00 0.00 O ATOM 415 CB LYS A 27 11.267 15.685 5.098 1.00 0.00 C ATOM 416 CG LYS A 27 10.344 16.895 5.252 1.00 0.00 C ATOM 417 CD LYS A 27 10.654 17.606 6.570 1.00 0.00 C ATOM 418 CE LYS A 27 9.732 18.816 6.724 1.00 0.00 C ATOM 419 NZ LYS A 27 8.316 18.356 6.798 1.00 0.00 N ATOM 0 H LYS A 27 12.687 13.794 4.195 1.00 0.00 H new ATOM 0 HA LYS A 27 9.876 14.618 3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.163 15.025 5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.307 16.011 5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.482 17.580 4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.302 16.576 5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.516 16.921 7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.696 17.925 6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.992 19.373 7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.861 19.495 5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.698 19.167 7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.040 17.933 5.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.220 17.647 7.553 1.00 0.00 H new ATOM 433 N LYS A 28 10.082 16.329 2.020 1.00 0.00 N ATOM 434 CA LYS A 28 10.213 17.241 0.844 1.00 0.00 C ATOM 435 C LYS A 28 9.069 18.255 0.875 1.00 0.00 C ATOM 436 O LYS A 28 8.017 17.989 1.419 1.00 0.00 O ATOM 437 CB LYS A 28 10.144 16.426 -0.448 1.00 0.00 C ATOM 438 CG LYS A 28 10.363 17.354 -1.642 1.00 0.00 C ATOM 439 CD LYS A 28 10.373 16.533 -2.930 1.00 0.00 C ATOM 440 CE LYS A 28 10.608 17.463 -4.120 1.00 0.00 C ATOM 441 NZ LYS A 28 10.650 16.662 -5.375 1.00 0.00 N ATOM 0 H LYS A 28 9.123 16.132 2.306 1.00 0.00 H new ATOM 0 HA LYS A 28 11.169 17.762 0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.901 15.642 -0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.176 15.932 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.573 18.104 -1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.306 17.889 -1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.155 15.775 -2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.426 16.007 -3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.813 18.206 -4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.544 18.007 -3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.810 17.294 -6.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.423 15.969 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.746 16.163 -5.499 1.00 0.00 H new ATOM 455 N GLU A 29 9.267 19.415 0.302 1.00 0.00 N ATOM 456 CA GLU A 29 8.195 20.465 0.297 1.00 0.00 C ATOM 457 C GLU A 29 7.757 20.745 -1.140 1.00 0.00 C ATOM 458 O GLU A 29 8.555 20.723 -2.053 1.00 0.00 O ATOM 459 CB GLU A 29 8.746 21.747 0.919 1.00 0.00 C ATOM 460 CG GLU A 29 8.943 21.530 2.418 1.00 0.00 C ATOM 461 CD GLU A 29 9.557 22.782 3.043 1.00 0.00 C ATOM 462 OE1 GLU A 29 9.772 23.738 2.317 1.00 0.00 O ATOM 463 OE2 GLU A 29 9.802 22.763 4.238 1.00 0.00 O ATOM 0 H GLU A 29 10.132 19.685 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 29 7.338 20.114 0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.693 22.016 0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.058 22.575 0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.987 21.307 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.592 20.671 2.589 1.00 0.00 H new ATOM 470 N TYR A 30 6.489 21.008 -1.351 1.00 0.00 N ATOM 471 CA TYR A 30 6.000 21.290 -2.736 1.00 0.00 C ATOM 472 C TYR A 30 4.946 22.396 -2.685 1.00 0.00 C ATOM 473 O TYR A 30 4.405 22.707 -1.641 1.00 0.00 O ATOM 474 CB TYR A 30 5.392 20.019 -3.333 1.00 0.00 C ATOM 475 CG TYR A 30 4.148 19.633 -2.566 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.254 19.102 -1.276 1.00 0.00 C ATOM 477 CD2 TYR A 30 2.886 19.794 -3.154 1.00 0.00 C ATOM 478 CE1 TYR A 30 3.100 18.735 -0.573 1.00 0.00 C ATOM 479 CE2 TYR A 30 1.734 19.428 -2.452 1.00 0.00 C ATOM 480 CZ TYR A 30 1.840 18.896 -1.163 1.00 0.00 C ATOM 481 OH TYR A 30 0.702 18.530 -0.472 1.00 0.00 O ATOM 0 H TYR A 30 5.774 21.039 -0.625 1.00 0.00 H new ATOM 0 HA TYR A 30 6.833 21.614 -3.360 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.147 20.181 -4.383 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.118 19.207 -3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.226 18.975 -0.822 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.803 20.201 -4.151 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.181 18.328 0.424 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.762 19.556 -2.905 1.00 0.00 H new ATOM 0 HH TYR A 30 0.614 17.554 -0.480 1.00 0.00 H new ATOM 491 N GLU A 31 4.658 23.008 -3.803 1.00 0.00 N ATOM 492 CA GLU A 31 3.649 24.107 -3.821 1.00 0.00 C ATOM 493 C GLU A 31 2.254 23.509 -4.038 1.00 0.00 C ATOM 494 O GLU A 31 1.864 23.204 -5.147 1.00 0.00 O ATOM 495 CB GLU A 31 3.992 25.071 -4.963 1.00 0.00 C ATOM 496 CG GLU A 31 3.066 26.288 -4.918 1.00 0.00 C ATOM 497 CD GLU A 31 3.390 27.137 -3.687 1.00 0.00 C ATOM 498 OE1 GLU A 31 4.390 26.861 -3.045 1.00 0.00 O ATOM 499 OE2 GLU A 31 2.637 28.056 -3.411 1.00 0.00 O ATOM 0 H GLU A 31 5.079 22.793 -4.707 1.00 0.00 H new ATOM 0 HA GLU A 31 3.660 24.646 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.031 25.391 -4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.891 24.562 -5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.186 26.882 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.026 25.964 -4.885 1.00 0.00 H new ATOM 506 N SER A 32 1.506 23.337 -2.980 1.00 0.00 N ATOM 507 CA SER A 32 0.139 22.751 -3.100 1.00 0.00 C ATOM 508 C SER A 32 -0.875 23.843 -3.457 1.00 0.00 C ATOM 509 O SER A 32 -0.544 24.826 -4.086 1.00 0.00 O ATOM 510 CB SER A 32 -0.251 22.114 -1.766 1.00 0.00 C ATOM 511 OG SER A 32 -1.404 21.305 -1.951 1.00 0.00 O ATOM 0 H SER A 32 1.786 23.580 -2.030 1.00 0.00 H new ATOM 0 HA SER A 32 0.140 21.998 -3.888 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.573 21.511 -1.383 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.451 22.888 -1.025 1.00 0.00 H new ATOM 0 HG SER A 32 -1.247 20.419 -1.564 1.00 0.00 H new ATOM 517 N ASP A 33 -2.108 23.665 -3.059 1.00 0.00 N ATOM 518 CA ASP A 33 -3.166 24.670 -3.368 1.00 0.00 C ATOM 519 C ASP A 33 -2.699 26.068 -2.973 1.00 0.00 C ATOM 520 O ASP A 33 -3.002 26.556 -1.901 1.00 0.00 O ATOM 521 CB ASP A 33 -4.436 24.316 -2.588 1.00 0.00 C ATOM 522 CG ASP A 33 -5.082 23.073 -3.204 1.00 0.00 C ATOM 523 OD1 ASP A 33 -4.695 22.711 -4.301 1.00 0.00 O ATOM 524 OD2 ASP A 33 -5.956 22.505 -2.568 1.00 0.00 O ATOM 0 H ASP A 33 -2.429 22.856 -2.527 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.371 24.658 -4.439 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.194 24.132 -1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.135 25.152 -2.611 1.00 0.00 H new ATOM 529 N GLY A 34 -1.970 26.717 -3.836 1.00 0.00 N ATOM 530 CA GLY A 34 -1.485 28.089 -3.525 1.00 0.00 C ATOM 531 C GLY A 34 -0.841 28.109 -2.141 1.00 0.00 C ATOM 532 O GLY A 34 -0.623 29.158 -1.567 1.00 0.00 O ATOM 0 H GLY A 34 -1.688 26.355 -4.747 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.763 28.408 -4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.315 28.795 -3.560 1.00 0.00 H new ATOM 536 N THR A 35 -0.531 26.959 -1.598 1.00 0.00 N ATOM 537 CA THR A 35 0.107 26.908 -0.245 1.00 0.00 C ATOM 538 C THR A 35 1.183 25.825 -0.233 1.00 0.00 C ATOM 539 O THR A 35 1.060 24.807 -0.878 1.00 0.00 O ATOM 540 CB THR A 35 -0.962 26.594 0.802 1.00 0.00 C ATOM 541 OG1 THR A 35 -1.677 25.428 0.415 1.00 0.00 O ATOM 542 CG2 THR A 35 -1.923 27.779 0.910 1.00 0.00 C ATOM 0 H THR A 35 -0.692 26.051 -2.033 1.00 0.00 H new ATOM 0 HA THR A 35 0.566 27.869 -0.014 1.00 0.00 H new ATOM 0 HB THR A 35 -0.491 26.420 1.769 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.257 25.638 -0.346 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.688 27.561 1.655 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.370 28.670 1.208 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.397 27.952 -0.056 1.00 0.00 H new ATOM 550 N THR A 36 2.242 26.039 0.497 1.00 0.00 N ATOM 551 CA THR A 36 3.334 25.026 0.548 1.00 0.00 C ATOM 552 C THR A 36 2.996 23.964 1.591 1.00 0.00 C ATOM 553 O THR A 36 2.671 24.274 2.718 1.00 0.00 O ATOM 554 CB THR A 36 4.643 25.718 0.928 1.00 0.00 C ATOM 555 OG1 THR A 36 4.908 26.764 0.003 1.00 0.00 O ATOM 556 CG2 THR A 36 5.787 24.705 0.893 1.00 0.00 C ATOM 0 H THR A 36 2.399 26.874 1.062 1.00 0.00 H new ATOM 0 HA THR A 36 3.440 24.551 -0.428 1.00 0.00 H new ATOM 0 HB THR A 36 4.557 26.131 1.933 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.615 26.492 -0.892 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.720 25.200 1.164 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.583 23.902 1.601 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.875 24.290 -0.111 1.00 0.00 H new ATOM 564 N LYS A 37 3.070 22.708 1.221 1.00 0.00 N ATOM 565 CA LYS A 37 2.757 21.605 2.185 1.00 0.00 C ATOM 566 C LYS A 37 3.896 20.585 2.181 1.00 0.00 C ATOM 567 O LYS A 37 4.544 20.361 1.173 1.00 0.00 O ATOM 568 CB LYS A 37 1.450 20.926 1.773 1.00 0.00 C ATOM 569 CG LYS A 37 0.289 21.898 1.991 1.00 0.00 C ATOM 570 CD LYS A 37 -1.022 21.228 1.582 1.00 0.00 C ATOM 571 CE LYS A 37 -2.181 22.198 1.810 1.00 0.00 C ATOM 572 NZ LYS A 37 -3.459 21.546 1.408 1.00 0.00 N ATOM 0 H LYS A 37 3.336 22.397 0.286 1.00 0.00 H new ATOM 0 HA LYS A 37 2.648 22.016 3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.497 20.625 0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.296 20.020 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.245 22.199 3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.445 22.804 1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.981 20.933 0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.175 20.318 2.163 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.224 22.491 2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.027 23.109 1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.249 22.205 1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.415 21.288 0.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.606 20.689 1.979 1.00 0.00 H new ATOM 586 N SER A 38 4.154 19.978 3.305 1.00 0.00 N ATOM 587 CA SER A 38 5.254 18.977 3.382 1.00 0.00 C ATOM 588 C SER A 38 4.745 17.615 2.914 1.00 0.00 C ATOM 589 O SER A 38 3.576 17.302 3.042 1.00 0.00 O ATOM 590 CB SER A 38 5.723 18.865 4.832 1.00 0.00 C ATOM 591 OG SER A 38 4.589 18.702 5.675 1.00 0.00 O ATOM 0 H SER A 38 3.648 20.133 4.177 1.00 0.00 H new ATOM 0 HA SER A 38 6.080 19.293 2.744 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.400 18.018 4.944 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.279 19.758 5.118 1.00 0.00 H new ATOM 0 HG SER A 38 4.882 18.628 6.607 1.00 0.00 H new ATOM 597 N VAL A 39 5.617 16.794 2.390 1.00 0.00 N ATOM 598 CA VAL A 39 5.201 15.434 1.931 1.00 0.00 C ATOM 599 C VAL A 39 6.327 14.451 2.256 1.00 0.00 C ATOM 600 O VAL A 39 7.491 14.759 2.097 1.00 0.00 O ATOM 601 CB VAL A 39 4.929 15.454 0.417 1.00 0.00 C ATOM 602 CG1 VAL A 39 6.211 15.802 -0.343 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.425 14.079 -0.039 1.00 0.00 C ATOM 0 H VAL A 39 6.606 17.008 2.259 1.00 0.00 H new ATOM 0 HA VAL A 39 4.286 15.128 2.438 1.00 0.00 H new ATOM 0 HB VAL A 39 4.171 16.208 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.007 15.813 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.564 16.785 -0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.976 15.056 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.234 14.099 -1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.179 13.324 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.503 13.836 0.489 1.00 0.00 H new ATOM 613 N TYR A 40 5.989 13.275 2.720 1.00 0.00 N ATOM 614 CA TYR A 40 7.037 12.264 3.067 1.00 0.00 C ATOM 615 C TYR A 40 7.032 11.164 2.008 1.00 0.00 C ATOM 616 O TYR A 40 5.993 10.648 1.650 1.00 0.00 O ATOM 617 CB TYR A 40 6.717 11.659 4.435 1.00 0.00 C ATOM 618 CG TYR A 40 6.667 12.767 5.460 1.00 0.00 C ATOM 619 CD1 TYR A 40 7.834 13.163 6.124 1.00 0.00 C ATOM 620 CD2 TYR A 40 5.452 13.404 5.743 1.00 0.00 C ATOM 621 CE1 TYR A 40 7.788 14.192 7.071 1.00 0.00 C ATOM 622 CE2 TYR A 40 5.405 14.435 6.690 1.00 0.00 C ATOM 623 CZ TYR A 40 6.573 14.828 7.354 1.00 0.00 C ATOM 624 OH TYR A 40 6.529 15.842 8.288 1.00 0.00 O ATOM 0 H TYR A 40 5.028 12.969 2.875 1.00 0.00 H new ATOM 0 HA TYR A 40 8.018 12.738 3.100 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.763 11.134 4.401 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.475 10.925 4.709 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.771 12.673 5.905 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.551 13.100 5.231 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.689 14.496 7.583 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.468 14.926 6.908 1.00 0.00 H new ATOM 0 HH TYR A 40 5.611 16.177 8.364 1.00 0.00 H new ATOM 634 N GLN A 41 8.184 10.807 1.501 1.00 0.00 N ATOM 635 CA GLN A 41 8.264 9.739 0.454 1.00 0.00 C ATOM 636 C GLN A 41 9.109 8.586 0.979 1.00 0.00 C ATOM 637 O GLN A 41 10.032 8.780 1.741 1.00 0.00 O ATOM 638 CB GLN A 41 8.909 10.315 -0.808 1.00 0.00 C ATOM 639 CG GLN A 41 7.953 11.322 -1.449 1.00 0.00 C ATOM 640 CD GLN A 41 8.612 11.939 -2.683 1.00 0.00 C ATOM 641 OE1 GLN A 41 9.709 11.566 -3.052 1.00 0.00 O ATOM 642 NE2 GLN A 41 7.983 12.872 -3.342 1.00 0.00 N ATOM 0 H GLN A 41 9.081 11.212 1.769 1.00 0.00 H new ATOM 0 HA GLN A 41 7.263 9.379 0.217 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.853 10.800 -0.559 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.138 9.514 -1.511 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.023 10.828 -1.729 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.696 12.102 -0.733 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.063 13.184 -3.031 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.411 13.290 -4.168 1.00 0.00 H new ATOM 651 N GLY A 42 8.798 7.382 0.588 1.00 0.00 N ATOM 652 CA GLY A 42 9.590 6.226 1.082 1.00 0.00 C ATOM 653 C GLY A 42 9.210 4.975 0.298 1.00 0.00 C ATOM 654 O GLY A 42 8.520 5.044 -0.701 1.00 0.00 O ATOM 0 H GLY A 42 8.035 7.151 -0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.655 6.428 0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.404 6.072 2.145 1.00 0.00 H new ATOM 658 N TYR A 43 9.661 3.834 0.744 1.00 0.00 N ATOM 659 CA TYR A 43 9.344 2.555 0.040 1.00 0.00 C ATOM 660 C TYR A 43 8.535 1.654 0.967 1.00 0.00 C ATOM 661 O TYR A 43 8.787 1.585 2.153 1.00 0.00 O ATOM 662 CB TYR A 43 10.650 1.857 -0.339 1.00 0.00 C ATOM 663 CG TYR A 43 11.351 2.656 -1.408 1.00 0.00 C ATOM 664 CD1 TYR A 43 12.170 3.736 -1.056 1.00 0.00 C ATOM 665 CD2 TYR A 43 11.176 2.320 -2.754 1.00 0.00 C ATOM 666 CE1 TYR A 43 12.815 4.477 -2.053 1.00 0.00 C ATOM 667 CE2 TYR A 43 11.819 3.060 -3.751 1.00 0.00 C ATOM 668 CZ TYR A 43 12.639 4.140 -3.401 1.00 0.00 C ATOM 669 OH TYR A 43 13.273 4.872 -4.383 1.00 0.00 O ATOM 0 H TYR A 43 10.242 3.731 1.576 1.00 0.00 H new ATOM 0 HA TYR A 43 8.764 2.762 -0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.291 1.760 0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.446 0.848 -0.698 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.304 3.997 -0.017 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.543 1.488 -3.024 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.449 5.309 -1.783 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.683 2.799 -4.790 1.00 0.00 H new ATOM 0 HH TYR A 43 13.045 4.505 -5.263 1.00 0.00 H new ATOM 679 N ILE A 44 7.570 0.952 0.429 1.00 0.00 N ATOM 680 CA ILE A 44 6.735 0.030 1.260 1.00 0.00 C ATOM 681 C ILE A 44 6.941 -1.386 0.743 1.00 0.00 C ATOM 682 O ILE A 44 7.132 -1.588 -0.442 1.00 0.00 O ATOM 683 CB ILE A 44 5.259 0.413 1.137 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.431 -0.450 2.094 1.00 0.00 C ATOM 685 CG2 ILE A 44 4.782 0.182 -0.298 1.00 0.00 C ATOM 686 CD1 ILE A 44 3.012 0.111 2.188 1.00 0.00 C ATOM 0 H ILE A 44 7.322 0.978 -0.560 1.00 0.00 H new ATOM 0 HA ILE A 44 7.026 0.099 2.308 1.00 0.00 H new ATOM 0 HB ILE A 44 5.136 1.466 1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.403 -1.480 1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.894 -0.464 3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.730 0.456 -0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.371 0.795 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.904 -0.870 -0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.422 -0.503 2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.049 1.134 2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.551 0.102 1.200 1.00 0.00 H new ATOM 698 N GLU A 45 6.934 -2.363 1.618 1.00 0.00 N ATOM 699 CA GLU A 45 7.161 -3.776 1.171 1.00 0.00 C ATOM 700 C GLU A 45 6.133 -4.706 1.817 1.00 0.00 C ATOM 701 O GLU A 45 5.518 -4.378 2.817 1.00 0.00 O ATOM 702 CB GLU A 45 8.571 -4.209 1.585 1.00 0.00 C ATOM 703 CG GLU A 45 9.551 -3.055 1.359 1.00 0.00 C ATOM 704 CD GLU A 45 10.969 -3.527 1.677 1.00 0.00 C ATOM 705 OE1 GLU A 45 11.125 -4.694 1.992 1.00 0.00 O ATOM 706 OE2 GLU A 45 11.874 -2.713 1.597 1.00 0.00 O ATOM 0 H GLU A 45 6.782 -2.245 2.620 1.00 0.00 H new ATOM 0 HA GLU A 45 7.055 -3.833 0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.578 -4.505 2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.879 -5.080 1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.493 -2.710 0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.286 -2.209 1.993 1.00 0.00 H new ATOM 713 N ASP A 46 5.947 -5.867 1.241 1.00 0.00 N ATOM 714 CA ASP A 46 4.965 -6.844 1.788 1.00 0.00 C ATOM 715 C ASP A 46 5.332 -8.250 1.303 1.00 0.00 C ATOM 716 O ASP A 46 6.407 -8.477 0.784 1.00 0.00 O ATOM 717 CB ASP A 46 3.563 -6.484 1.293 1.00 0.00 C ATOM 718 CG ASP A 46 2.517 -7.266 2.091 1.00 0.00 C ATOM 719 OD1 ASP A 46 2.876 -7.823 3.114 1.00 0.00 O ATOM 720 OD2 ASP A 46 1.376 -7.298 1.661 1.00 0.00 O ATOM 0 H ASP A 46 6.441 -6.180 0.405 1.00 0.00 H new ATOM 0 HA ASP A 46 4.984 -6.815 2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.392 -5.413 1.403 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.471 -6.714 0.232 1.00 0.00 H new ATOM 725 N ASP A 47 4.445 -9.193 1.465 1.00 0.00 N ATOM 726 CA ASP A 47 4.733 -10.583 1.014 1.00 0.00 C ATOM 727 C ASP A 47 4.798 -10.628 -0.516 1.00 0.00 C ATOM 728 O ASP A 47 5.296 -11.574 -1.096 1.00 0.00 O ATOM 729 CB ASP A 47 3.607 -11.501 1.496 1.00 0.00 C ATOM 730 CG ASP A 47 3.695 -11.660 3.014 1.00 0.00 C ATOM 731 OD1 ASP A 47 4.735 -11.334 3.563 1.00 0.00 O ATOM 732 OD2 ASP A 47 2.721 -12.099 3.601 1.00 0.00 O ATOM 0 H ASP A 47 3.529 -9.059 1.893 1.00 0.00 H new ATOM 0 HA ASP A 47 5.688 -10.911 1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.639 -11.084 1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.685 -12.475 1.012 1.00 0.00 H new ATOM 737 N THR A 48 4.291 -9.617 -1.175 1.00 0.00 N ATOM 738 CA THR A 48 4.310 -9.601 -2.668 1.00 0.00 C ATOM 739 C THR A 48 5.595 -8.939 -3.175 1.00 0.00 C ATOM 740 O THR A 48 6.487 -9.598 -3.668 1.00 0.00 O ATOM 741 CB THR A 48 3.107 -8.809 -3.176 1.00 0.00 C ATOM 742 OG1 THR A 48 3.152 -7.497 -2.633 1.00 0.00 O ATOM 743 CG2 THR A 48 1.812 -9.501 -2.741 1.00 0.00 C ATOM 0 H THR A 48 3.863 -8.799 -0.741 1.00 0.00 H new ATOM 0 HA THR A 48 4.268 -10.627 -3.035 1.00 0.00 H new ATOM 0 HB THR A 48 3.136 -8.758 -4.264 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.247 -7.214 -2.385 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.956 -8.933 -3.105 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.781 -10.509 -3.155 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.776 -9.554 -1.653 1.00 0.00 H new ATOM 751 N ALA A 49 5.691 -7.638 -3.070 1.00 0.00 N ATOM 752 CA ALA A 49 6.915 -6.941 -3.562 1.00 0.00 C ATOM 753 C ALA A 49 7.044 -5.580 -2.881 1.00 0.00 C ATOM 754 O ALA A 49 6.710 -5.422 -1.722 1.00 0.00 O ATOM 755 CB ALA A 49 6.813 -6.744 -5.075 1.00 0.00 C ATOM 0 H ALA A 49 4.977 -7.031 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 49 7.792 -7.545 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.706 -6.235 -5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.726 -7.715 -5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.934 -6.142 -5.305 1.00 0.00 H new ATOM 761 N ARG A 50 7.534 -4.590 -3.586 1.00 0.00 N ATOM 762 CA ARG A 50 7.693 -3.237 -2.971 1.00 0.00 C ATOM 763 C ARG A 50 7.462 -2.145 -4.019 1.00 0.00 C ATOM 764 O ARG A 50 7.664 -2.348 -5.200 1.00 0.00 O ATOM 765 CB ARG A 50 9.107 -3.110 -2.391 1.00 0.00 C ATOM 766 CG ARG A 50 10.155 -3.240 -3.503 1.00 0.00 C ATOM 767 CD ARG A 50 11.558 -3.138 -2.895 1.00 0.00 C ATOM 768 NE ARG A 50 12.580 -3.224 -3.977 1.00 0.00 N ATOM 769 CZ ARG A 50 13.850 -3.108 -3.689 1.00 0.00 C ATOM 770 NH1 ARG A 50 14.227 -2.933 -2.451 1.00 0.00 N ATOM 771 NH2 ARG A 50 14.745 -3.169 -4.639 1.00 0.00 N ATOM 0 H ARG A 50 7.830 -4.661 -4.559 1.00 0.00 H new ATOM 0 HA ARG A 50 6.957 -3.116 -2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.216 -2.148 -1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.269 -3.882 -1.638 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.038 -4.194 -4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.011 -2.456 -4.247 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.664 -2.197 -2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.711 -3.939 -2.172 1.00 0.00 H new ATOM 0 HE ARG A 50 12.288 -3.373 -4.943 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.530 -2.887 -1.707 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.218 -2.843 -2.228 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.453 -3.307 -5.607 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.736 -3.078 -4.413 1.00 0.00 H new ATOM 785 N ILE A 51 7.047 -0.980 -3.589 1.00 0.00 N ATOM 786 CA ILE A 51 6.809 0.142 -4.554 1.00 0.00 C ATOM 787 C ILE A 51 6.997 1.487 -3.842 1.00 0.00 C ATOM 788 O ILE A 51 6.936 1.574 -2.632 1.00 0.00 O ATOM 789 CB ILE A 51 5.389 0.053 -5.124 1.00 0.00 C ATOM 790 CG1 ILE A 51 5.187 1.167 -6.156 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.369 0.212 -3.997 1.00 0.00 C ATOM 792 CD1 ILE A 51 3.903 0.908 -6.948 1.00 0.00 C ATOM 0 H ILE A 51 6.862 -0.755 -2.611 1.00 0.00 H new ATOM 0 HA ILE A 51 7.525 0.064 -5.372 1.00 0.00 H new ATOM 0 HB ILE A 51 5.250 -0.918 -5.600 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.129 2.134 -5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.041 1.209 -6.832 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.361 0.148 -4.407 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.513 -0.580 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.505 1.181 -3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.762 1.702 -7.681 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.979 -0.051 -7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.053 0.888 -6.266 1.00 0.00 H new ATOM 804 N ARG A 52 7.232 2.537 -4.587 1.00 0.00 N ATOM 805 CA ARG A 52 7.431 3.879 -3.959 1.00 0.00 C ATOM 806 C ARG A 52 6.091 4.450 -3.492 1.00 0.00 C ATOM 807 O ARG A 52 5.066 4.237 -4.107 1.00 0.00 O ATOM 808 CB ARG A 52 8.059 4.834 -4.977 1.00 0.00 C ATOM 809 CG ARG A 52 8.331 6.188 -4.311 1.00 0.00 C ATOM 810 CD ARG A 52 9.025 7.116 -5.308 1.00 0.00 C ATOM 811 NE ARG A 52 8.109 7.391 -6.455 1.00 0.00 N ATOM 812 CZ ARG A 52 7.241 8.368 -6.390 1.00 0.00 C ATOM 813 NH1 ARG A 52 7.160 9.107 -5.318 1.00 0.00 N ATOM 814 NH2 ARG A 52 6.451 8.604 -7.405 1.00 0.00 N ATOM 0 H ARG A 52 7.295 2.523 -5.605 1.00 0.00 H new ATOM 0 HA ARG A 52 8.091 3.769 -3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.988 4.413 -5.361 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.392 4.964 -5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.395 6.634 -3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.956 6.052 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.303 8.050 -4.819 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.947 6.658 -5.667 1.00 0.00 H new ATOM 0 HE ARG A 52 8.160 6.814 -7.294 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.775 8.925 -4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.482 9.867 -5.273 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.513 8.027 -8.244 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.773 9.365 -7.358 1.00 0.00 H new ATOM 828 N ILE A 53 6.098 5.184 -2.405 1.00 0.00 N ATOM 829 CA ILE A 53 4.833 5.791 -1.880 1.00 0.00 C ATOM 830 C ILE A 53 5.073 7.250 -1.490 1.00 0.00 C ATOM 831 O ILE A 53 6.195 7.685 -1.316 1.00 0.00 O ATOM 832 CB ILE A 53 4.362 5.007 -0.653 1.00 0.00 C ATOM 833 CG1 ILE A 53 5.459 5.009 0.423 1.00 0.00 C ATOM 834 CG2 ILE A 53 4.052 3.564 -1.062 1.00 0.00 C ATOM 835 CD1 ILE A 53 4.892 4.463 1.731 1.00 0.00 C ATOM 0 H ILE A 53 6.932 5.390 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 53 4.070 5.751 -2.657 1.00 0.00 H new ATOM 0 HB ILE A 53 3.465 5.476 -0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.303 4.400 0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.835 6.021 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.716 3.003 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.268 3.561 -1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.951 3.100 -1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.671 4.465 2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.062 5.090 2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.538 3.444 1.577 1.00 0.00 H new ATOM 847 N SER A 54 4.020 8.003 -1.329 1.00 0.00 N ATOM 848 CA SER A 54 4.164 9.432 -0.930 1.00 0.00 C ATOM 849 C SER A 54 3.017 9.800 0.009 1.00 0.00 C ATOM 850 O SER A 54 1.864 9.560 -0.290 1.00 0.00 O ATOM 851 CB SER A 54 4.120 10.316 -2.177 1.00 0.00 C ATOM 852 OG SER A 54 4.363 11.665 -1.806 1.00 0.00 O ATOM 0 H SER A 54 3.059 7.687 -1.458 1.00 0.00 H new ATOM 0 HA SER A 54 5.116 9.584 -0.421 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.868 9.985 -2.898 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.148 10.230 -2.663 1.00 0.00 H new ATOM 0 HG SER A 54 3.641 12.233 -2.147 1.00 0.00 H new ATOM 858 N SER A 55 3.325 10.378 1.145 1.00 0.00 N ATOM 859 CA SER A 55 2.259 10.768 2.123 1.00 0.00 C ATOM 860 C SER A 55 2.204 12.291 2.221 1.00 0.00 C ATOM 861 O SER A 55 3.184 12.937 2.531 1.00 0.00 O ATOM 862 CB SER A 55 2.591 10.176 3.493 1.00 0.00 C ATOM 863 OG SER A 55 1.679 10.684 4.457 1.00 0.00 O ATOM 0 H SER A 55 4.276 10.598 1.439 1.00 0.00 H new ATOM 0 HA SER A 55 1.293 10.389 1.790 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.531 9.088 3.456 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.613 10.429 3.774 1.00 0.00 H new ATOM 0 HG SER A 55 2.143 11.317 5.044 1.00 0.00 H new ATOM 869 N PHE A 56 1.067 12.870 1.939 1.00 0.00 N ATOM 870 CA PHE A 56 0.943 14.358 1.991 1.00 0.00 C ATOM 871 C PHE A 56 0.336 14.797 3.328 1.00 0.00 C ATOM 872 O PHE A 56 -0.774 14.437 3.665 1.00 0.00 O ATOM 873 CB PHE A 56 0.036 14.812 0.847 1.00 0.00 C ATOM 874 CG PHE A 56 0.745 14.586 -0.467 1.00 0.00 C ATOM 875 CD1 PHE A 56 1.661 15.532 -0.937 1.00 0.00 C ATOM 876 CD2 PHE A 56 0.488 13.428 -1.214 1.00 0.00 C ATOM 877 CE1 PHE A 56 2.319 15.325 -2.154 1.00 0.00 C ATOM 878 CE2 PHE A 56 1.148 13.221 -2.431 1.00 0.00 C ATOM 879 CZ PHE A 56 2.063 14.169 -2.902 1.00 0.00 C ATOM 0 H PHE A 56 0.215 12.375 1.674 1.00 0.00 H new ATOM 0 HA PHE A 56 1.931 14.808 1.894 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.902 14.257 0.868 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.215 15.866 0.962 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.861 16.423 -0.360 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.219 12.696 -0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.025 16.057 -2.517 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.951 12.329 -3.007 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.571 14.009 -3.841 1.00 0.00 H new ATOM 889 N GLY A 57 1.052 15.589 4.084 1.00 0.00 N ATOM 890 CA GLY A 57 0.514 16.073 5.390 1.00 0.00 C ATOM 891 C GLY A 57 0.828 15.075 6.506 1.00 0.00 C ATOM 892 O GLY A 57 1.524 15.392 7.451 1.00 0.00 O ATOM 0 H GLY A 57 1.988 15.922 3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.948 17.044 5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.564 16.215 5.315 1.00 0.00 H new ATOM 896 N LYS A 58 0.305 13.885 6.420 1.00 0.00 N ATOM 897 CA LYS A 58 0.556 12.882 7.495 1.00 0.00 C ATOM 898 C LYS A 58 2.001 12.378 7.435 1.00 0.00 C ATOM 899 O LYS A 58 2.526 12.089 6.380 1.00 0.00 O ATOM 900 CB LYS A 58 -0.400 11.706 7.311 1.00 0.00 C ATOM 901 CG LYS A 58 -1.832 12.177 7.564 1.00 0.00 C ATOM 902 CD LYS A 58 -2.794 11.010 7.355 1.00 0.00 C ATOM 903 CE LYS A 58 -4.234 11.495 7.526 1.00 0.00 C ATOM 904 NZ LYS A 58 -4.420 12.020 8.907 1.00 0.00 N ATOM 0 H LYS A 58 -0.285 13.562 5.653 1.00 0.00 H new ATOM 0 HA LYS A 58 0.392 13.352 8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.310 11.303 6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.142 10.901 8.000 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.926 12.563 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.082 12.995 6.888 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.658 10.587 6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.580 10.216 8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.456 12.274 6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.929 10.676 7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.436 12.080 9.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.959 11.381 9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.995 12.966 8.979 1.00 0.00 H new ATOM 918 N GLN A 59 2.643 12.261 8.574 1.00 0.00 N ATOM 919 CA GLN A 59 4.053 11.763 8.611 1.00 0.00 C ATOM 920 C GLN A 59 4.056 10.262 8.910 1.00 0.00 C ATOM 921 O GLN A 59 3.123 9.738 9.483 1.00 0.00 O ATOM 922 CB GLN A 59 4.832 12.503 9.701 1.00 0.00 C ATOM 923 CG GLN A 59 6.272 11.990 9.728 1.00 0.00 C ATOM 924 CD GLN A 59 7.108 12.857 10.669 1.00 0.00 C ATOM 925 OE1 GLN A 59 6.605 13.793 11.261 1.00 0.00 O ATOM 926 NE2 GLN A 59 8.373 12.584 10.833 1.00 0.00 N ATOM 0 H GLN A 59 2.246 12.491 9.485 1.00 0.00 H new ATOM 0 HA GLN A 59 4.525 11.943 7.645 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.819 13.576 9.509 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.360 12.347 10.671 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.293 10.952 10.059 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.696 12.013 8.724 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.794 11.799 10.336 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.941 13.156 11.458 1.00 0.00 H new ATOM 935 N LEU A 60 5.096 9.568 8.516 1.00 0.00 N ATOM 936 CA LEU A 60 5.172 8.090 8.758 1.00 0.00 C ATOM 937 C LEU A 60 6.496 7.745 9.439 1.00 0.00 C ATOM 938 O LEU A 60 7.433 8.519 9.422 1.00 0.00 O ATOM 939 CB LEU A 60 5.090 7.362 7.418 1.00 0.00 C ATOM 940 CG LEU A 60 3.758 7.684 6.732 1.00 0.00 C ATOM 941 CD1 LEU A 60 3.754 7.056 5.337 1.00 0.00 C ATOM 942 CD2 LEU A 60 2.586 7.119 7.555 1.00 0.00 C ATOM 0 H LEU A 60 5.903 9.964 8.033 1.00 0.00 H new ATOM 0 HA LEU A 60 4.347 7.783 9.401 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.920 7.663 6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.179 6.287 7.572 1.00 0.00 H new ATOM 0 HG LEU A 60 3.643 8.765 6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.810 7.279 4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.578 7.465 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.872 5.976 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.645 7.354 7.057 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.690 6.037 7.642 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.592 7.565 8.550 1.00 0.00 H new ATOM 954 N GLN A 61 6.573 6.584 10.049 1.00 0.00 N ATOM 955 CA GLN A 61 7.827 6.164 10.752 1.00 0.00 C ATOM 956 C GLN A 61 8.470 4.980 10.022 1.00 0.00 C ATOM 957 O GLN A 61 7.818 4.208 9.339 1.00 0.00 O ATOM 958 CB GLN A 61 7.489 5.776 12.192 1.00 0.00 C ATOM 959 CG GLN A 61 7.160 7.035 12.991 1.00 0.00 C ATOM 960 CD GLN A 61 6.763 6.642 14.412 1.00 0.00 C ATOM 961 OE1 GLN A 61 5.988 5.726 14.609 1.00 0.00 O ATOM 962 NE2 GLN A 61 7.265 7.299 15.422 1.00 0.00 N ATOM 0 H GLN A 61 5.813 5.905 10.089 1.00 0.00 H new ATOM 0 HA GLN A 61 8.536 6.992 10.757 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.642 5.091 12.207 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.330 5.253 12.647 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.022 7.701 13.013 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.347 7.581 12.512 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.915 8.068 15.258 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.007 7.044 16.375 1.00 0.00 H new ATOM 971 N ASP A 62 9.759 4.852 10.148 1.00 0.00 N ATOM 972 CA ASP A 62 10.487 3.757 9.454 1.00 0.00 C ATOM 973 C ASP A 62 10.029 2.381 9.952 1.00 0.00 C ATOM 974 O ASP A 62 9.821 2.168 11.130 1.00 0.00 O ATOM 975 CB ASP A 62 11.986 3.928 9.705 1.00 0.00 C ATOM 976 CG ASP A 62 12.765 2.854 8.948 1.00 0.00 C ATOM 977 OD1 ASP A 62 12.133 1.967 8.400 1.00 0.00 O ATOM 978 OD2 ASP A 62 13.982 2.936 8.929 1.00 0.00 O ATOM 0 H ASP A 62 10.347 5.468 10.710 1.00 0.00 H new ATOM 0 HA ASP A 62 10.273 3.812 8.387 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.307 4.918 9.382 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.195 3.857 10.772 1.00 0.00 H new ATOM 983 N SER A 63 9.881 1.443 9.048 1.00 0.00 N ATOM 984 CA SER A 63 9.447 0.072 9.439 1.00 0.00 C ATOM 985 C SER A 63 8.095 0.145 10.141 1.00 0.00 C ATOM 986 O SER A 63 7.776 -0.681 10.976 1.00 0.00 O ATOM 987 CB SER A 63 10.486 -0.549 10.380 1.00 0.00 C ATOM 988 OG SER A 63 11.789 -0.192 9.938 1.00 0.00 O ATOM 0 H SER A 63 10.044 1.573 8.050 1.00 0.00 H new ATOM 0 HA SER A 63 9.356 -0.547 8.546 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.326 -0.199 11.400 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.378 -1.634 10.395 1.00 0.00 H new ATOM 0 HG SER A 63 11.720 0.395 9.156 1.00 0.00 H new ATOM 994 N ASP A 64 7.296 1.124 9.817 1.00 0.00 N ATOM 995 CA ASP A 64 5.964 1.240 10.478 1.00 0.00 C ATOM 996 C ASP A 64 4.956 0.319 9.780 1.00 0.00 C ATOM 997 O ASP A 64 4.619 0.518 8.631 1.00 0.00 O ATOM 998 CB ASP A 64 5.486 2.687 10.383 1.00 0.00 C ATOM 999 CG ASP A 64 4.165 2.839 11.134 1.00 0.00 C ATOM 1000 OD1 ASP A 64 3.631 1.829 11.556 1.00 0.00 O ATOM 1001 OD2 ASP A 64 3.712 3.963 11.276 1.00 0.00 O ATOM 0 H ASP A 64 7.505 1.845 9.127 1.00 0.00 H new ATOM 0 HA ASP A 64 6.048 0.947 11.524 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.235 3.357 10.805 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.357 2.970 9.338 1.00 0.00 H new ATOM 1006 N VAL A 65 4.469 -0.683 10.467 1.00 0.00 N ATOM 1007 CA VAL A 65 3.480 -1.613 9.843 1.00 0.00 C ATOM 1008 C VAL A 65 2.086 -0.989 9.930 1.00 0.00 C ATOM 1009 O VAL A 65 1.543 -0.824 11.007 1.00 0.00 O ATOM 1010 CB VAL A 65 3.495 -2.941 10.602 1.00 0.00 C ATOM 1011 CG1 VAL A 65 2.846 -4.036 9.752 1.00 0.00 C ATOM 1012 CG2 VAL A 65 4.942 -3.322 10.915 1.00 0.00 C ATOM 0 H VAL A 65 4.714 -0.897 11.434 1.00 0.00 H new ATOM 0 HA VAL A 65 3.738 -1.788 8.798 1.00 0.00 H new ATOM 0 HB VAL A 65 2.933 -2.835 11.530 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.861 -4.978 10.300 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.815 -3.761 9.530 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.400 -4.149 8.820 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.960 -4.268 11.456 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.500 -3.425 9.985 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.399 -2.545 11.528 1.00 0.00 H new ATOM 1022 N VAL A 66 1.501 -0.638 8.808 1.00 0.00 N ATOM 1023 CA VAL A 66 0.137 -0.015 8.835 1.00 0.00 C ATOM 1024 C VAL A 66 -0.702 -0.534 7.671 1.00 0.00 C ATOM 1025 O VAL A 66 -0.194 -1.101 6.726 1.00 0.00 O ATOM 1026 CB VAL A 66 0.269 1.508 8.720 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.056 2.050 9.917 1.00 0.00 C ATOM 1028 CG2 VAL A 66 1.004 1.860 7.424 1.00 0.00 C ATOM 0 H VAL A 66 1.906 -0.755 7.879 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.352 -0.276 9.774 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.724 1.956 8.709 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.148 3.133 9.832 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.532 1.802 10.840 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.049 1.602 9.932 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.098 2.943 7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.996 1.409 7.435 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.441 1.479 6.572 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.992 -0.321 7.729 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.899 -0.769 6.630 1.00 0.00 C ATOM 1040 C ARG A 67 -3.331 0.467 5.848 1.00 0.00 C ATOM 1041 O ARG A 67 -3.827 1.424 6.418 1.00 0.00 O ATOM 1042 CB ARG A 67 -4.130 -1.452 7.237 1.00 0.00 C ATOM 1043 CG ARG A 67 -5.070 -1.937 6.127 1.00 0.00 C ATOM 1044 CD ARG A 67 -6.328 -2.539 6.758 1.00 0.00 C ATOM 1045 NE ARG A 67 -5.973 -3.792 7.488 1.00 0.00 N ATOM 1046 CZ ARG A 67 -5.938 -4.937 6.856 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -6.205 -4.992 5.579 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -5.636 -6.032 7.504 1.00 0.00 N ATOM 0 H ARG A 67 -2.461 0.151 8.502 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.391 -1.475 5.973 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.819 -2.295 7.854 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.656 -0.756 7.890 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.338 -1.107 5.473 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.568 -2.681 5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.781 -1.823 7.444 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.067 -2.753 5.986 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.757 -3.755 8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.442 -4.140 5.070 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.177 -5.887 5.090 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.428 -5.993 8.502 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.609 -6.925 7.012 1.00 0.00 H new ATOM 1062 N ILE A 68 -3.141 0.462 4.549 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.530 1.645 3.720 1.00 0.00 C ATOM 1064 C ILE A 68 -4.761 1.293 2.895 1.00 0.00 C ATOM 1065 O ILE A 68 -4.780 0.307 2.183 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.378 2.000 2.779 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.080 2.153 3.587 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -2.694 3.313 2.054 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -1.285 3.129 4.749 1.00 0.00 C ATOM 0 H ILE A 68 -2.732 -0.313 4.027 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.750 2.494 4.368 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.252 1.204 2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.767 1.182 3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.281 2.513 2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.872 3.565 1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.611 3.198 1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.823 4.111 2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.356 3.226 5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.576 4.104 4.358 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.069 2.753 5.406 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.791 2.095 2.989 1.00 0.00 N ATOM 1082 CA ASP A 69 -7.045 1.826 2.222 1.00 0.00 C ATOM 1083 C ASP A 69 -7.366 3.032 1.336 1.00 0.00 C ATOM 1084 O ASP A 69 -7.136 4.169 1.711 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.188 1.590 3.210 1.00 0.00 C ATOM 1086 CG ASP A 69 -9.374 0.958 2.485 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -9.424 1.060 1.271 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -10.212 0.379 3.157 1.00 0.00 O ATOM 0 H ASP A 69 -5.817 2.933 3.570 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.917 0.945 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.854 0.939 4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.489 2.534 3.665 1.00 0.00 H new ATOM 1093 N ASN A 70 -7.888 2.779 0.161 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.225 3.883 -0.783 1.00 0.00 C ATOM 1095 C ASN A 70 -6.948 4.631 -1.171 1.00 0.00 C ATOM 1096 O ASN A 70 -6.934 5.843 -1.273 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.217 4.848 -0.123 1.00 0.00 C ATOM 1098 CG ASN A 70 -9.848 5.747 -1.189 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -10.097 5.315 -2.296 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -10.119 6.992 -0.900 1.00 0.00 N ATOM 0 H ASN A 70 -8.096 1.843 -0.186 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.683 3.465 -1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.992 4.287 0.399 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.706 5.456 0.623 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.539 7.599 -1.604 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.911 7.357 0.029 1.00 0.00 H new ATOM 1107 N ALA A 71 -5.875 3.915 -1.402 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.598 4.577 -1.797 1.00 0.00 C ATOM 1109 C ALA A 71 -4.712 5.054 -3.247 1.00 0.00 C ATOM 1110 O ALA A 71 -5.117 4.313 -4.113 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.451 3.567 -1.681 1.00 0.00 C ATOM 0 H ALA A 71 -5.831 2.898 -1.333 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.402 5.428 -1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.515 4.045 -1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.378 3.216 -0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.643 2.721 -2.340 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.355 6.280 -3.518 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.453 6.792 -4.917 1.00 0.00 C ATOM 1119 C ARG A 72 -3.227 6.361 -5.721 1.00 0.00 C ATOM 1120 O ARG A 72 -2.102 6.508 -5.288 1.00 0.00 O ATOM 1121 CB ARG A 72 -4.539 8.319 -4.883 1.00 0.00 C ATOM 1122 CG ARG A 72 -4.687 8.863 -6.305 1.00 0.00 C ATOM 1123 CD ARG A 72 -4.953 10.367 -6.240 1.00 0.00 C ATOM 1124 NE ARG A 72 -4.988 10.928 -7.622 1.00 0.00 N ATOM 1125 CZ ARG A 72 -6.103 10.937 -8.306 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -7.197 10.443 -7.793 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -6.120 11.439 -9.511 1.00 0.00 N ATOM 0 H ARG A 72 -4.001 6.949 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.344 6.382 -5.393 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.388 8.631 -4.275 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.644 8.732 -4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.782 8.666 -6.879 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.506 8.358 -6.817 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.900 10.558 -5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.175 10.859 -5.656 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.137 11.307 -8.036 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.186 10.047 -6.853 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.063 10.453 -8.332 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.266 11.822 -9.916 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.987 11.448 -10.048 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.441 5.830 -6.896 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.300 5.385 -7.747 1.00 0.00 C ATOM 1143 C VAL A 73 -1.870 6.529 -8.663 1.00 0.00 C ATOM 1144 O VAL A 73 -2.684 7.149 -9.316 1.00 0.00 O ATOM 1145 CB VAL A 73 -2.739 4.193 -8.596 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.529 3.614 -9.331 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -3.347 3.123 -7.686 1.00 0.00 C ATOM 0 H VAL A 73 -4.364 5.685 -7.305 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.463 5.095 -7.112 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.481 4.517 -9.326 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.844 2.764 -9.936 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.095 4.378 -9.976 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.785 3.287 -8.605 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.662 2.270 -8.287 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.603 2.799 -6.958 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.210 3.537 -7.164 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.595 6.812 -8.716 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.094 7.917 -9.590 1.00 0.00 C ATOM 1159 C ALA A 74 1.183 7.457 -10.288 1.00 0.00 C ATOM 1160 O ALA A 74 1.897 6.610 -9.791 1.00 0.00 O ATOM 1161 CB ALA A 74 0.209 9.146 -8.733 1.00 0.00 C ATOM 0 H ALA A 74 0.127 6.322 -8.188 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.850 8.172 -10.333 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.574 9.952 -9.369 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.700 9.468 -8.225 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.969 8.895 -7.993 1.00 0.00 H new ATOM 1167 N GLN A 75 1.473 8.007 -11.439 1.00 0.00 N ATOM 1168 CA GLN A 75 2.706 7.610 -12.190 1.00 0.00 C ATOM 1169 C GLN A 75 3.641 8.811 -12.294 1.00 0.00 C ATOM 1170 O GLN A 75 3.293 9.828 -12.857 1.00 0.00 O ATOM 1171 CB GLN A 75 2.308 7.146 -13.593 1.00 0.00 C ATOM 1172 CG GLN A 75 3.561 6.765 -14.382 1.00 0.00 C ATOM 1173 CD GLN A 75 3.147 6.139 -15.714 1.00 0.00 C ATOM 1174 OE1 GLN A 75 2.476 6.764 -16.511 1.00 0.00 O ATOM 1175 NE2 GLN A 75 3.521 4.919 -15.990 1.00 0.00 N ATOM 0 H GLN A 75 0.905 8.720 -11.896 1.00 0.00 H new ATOM 0 HA GLN A 75 3.215 6.800 -11.667 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.634 6.292 -13.527 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.768 7.939 -14.110 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.177 7.647 -14.557 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.166 6.062 -13.809 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.084 4.395 -15.321 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.250 4.490 -16.875 1.00 0.00 H new ATOM 1184 N PHE A 76 4.829 8.699 -11.749 1.00 0.00 N ATOM 1185 CA PHE A 76 5.807 9.833 -11.803 1.00 0.00 C ATOM 1186 C PHE A 76 7.121 9.346 -12.423 1.00 0.00 C ATOM 1187 O PHE A 76 7.637 8.305 -12.071 1.00 0.00 O ATOM 1188 CB PHE A 76 6.060 10.347 -10.385 1.00 0.00 C ATOM 1189 CG PHE A 76 4.815 11.044 -9.883 1.00 0.00 C ATOM 1190 CD1 PHE A 76 4.441 12.280 -10.424 1.00 0.00 C ATOM 1191 CD2 PHE A 76 4.034 10.454 -8.880 1.00 0.00 C ATOM 1192 CE1 PHE A 76 3.287 12.927 -9.964 1.00 0.00 C ATOM 1193 CE2 PHE A 76 2.880 11.103 -8.420 1.00 0.00 C ATOM 1194 CZ PHE A 76 2.507 12.338 -8.962 1.00 0.00 C ATOM 0 H PHE A 76 5.165 7.866 -11.266 1.00 0.00 H new ATOM 0 HA PHE A 76 5.402 10.640 -12.414 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.319 9.519 -9.725 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.905 11.036 -10.380 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.043 12.735 -11.197 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.321 9.500 -8.462 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.999 13.880 -10.382 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.278 10.649 -7.646 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.617 12.837 -8.607 1.00 0.00 H new ATOM 1204 N ASN A 77 7.654 10.098 -13.350 1.00 0.00 N ATOM 1205 CA ASN A 77 8.930 9.704 -14.013 1.00 0.00 C ATOM 1206 C ASN A 77 8.795 8.303 -14.614 1.00 0.00 C ATOM 1207 O ASN A 77 9.757 7.565 -14.709 1.00 0.00 O ATOM 1208 CB ASN A 77 10.073 9.726 -12.992 1.00 0.00 C ATOM 1209 CG ASN A 77 10.373 11.173 -12.591 1.00 0.00 C ATOM 1210 OD1 ASN A 77 9.798 12.151 -13.236 1.00 0.00 O flip ATOM 1211 ND2 ASN A 77 11.131 11.416 -11.673 1.00 0.00 N flip ATOM 0 H ASN A 77 7.255 10.977 -13.679 1.00 0.00 H new ATOM 0 HA ASN A 77 9.151 10.412 -14.812 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.800 9.143 -12.112 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.964 9.263 -13.417 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.581 10.653 -11.168 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.317 12.383 -11.408 1.00 0.00 H new ATOM 1218 N GLY A 78 7.614 7.939 -15.040 1.00 0.00 N ATOM 1219 CA GLY A 78 7.426 6.595 -15.659 1.00 0.00 C ATOM 1220 C GLY A 78 7.394 5.508 -14.582 1.00 0.00 C ATOM 1221 O GLY A 78 7.369 4.332 -14.889 1.00 0.00 O ATOM 0 H GLY A 78 6.773 8.514 -14.986 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.497 6.578 -16.229 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.235 6.395 -16.362 1.00 0.00 H new ATOM 1225 N TYR A 79 7.395 5.888 -13.327 1.00 0.00 N ATOM 1226 CA TYR A 79 7.369 4.878 -12.218 1.00 0.00 C ATOM 1227 C TYR A 79 6.051 4.989 -11.450 1.00 0.00 C ATOM 1228 O TYR A 79 5.607 6.066 -11.106 1.00 0.00 O ATOM 1229 CB TYR A 79 8.545 5.143 -11.277 1.00 0.00 C ATOM 1230 CG TYR A 79 9.829 4.796 -11.991 1.00 0.00 C ATOM 1231 CD1 TYR A 79 10.227 3.458 -12.093 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.616 5.806 -12.556 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.415 3.129 -12.759 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.804 5.477 -13.222 1.00 0.00 C ATOM 1235 CZ TYR A 79 12.202 4.139 -13.324 1.00 0.00 C ATOM 1236 OH TYR A 79 13.371 3.813 -13.981 1.00 0.00 O ATOM 0 H TYR A 79 7.413 6.860 -13.020 1.00 0.00 H new ATOM 0 HA TYR A 79 7.451 3.873 -12.632 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.555 6.189 -10.971 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.444 4.546 -10.370 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.618 2.679 -11.658 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.308 6.838 -12.479 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.723 2.097 -12.836 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.413 6.256 -13.657 1.00 0.00 H new ATOM 0 HH TYR A 79 13.797 4.630 -14.315 1.00 0.00 H new ATOM 1246 N LEU A 80 5.421 3.878 -11.190 1.00 0.00 N ATOM 1247 CA LEU A 80 4.125 3.897 -10.456 1.00 0.00 C ATOM 1248 C LEU A 80 4.371 4.129 -8.964 1.00 0.00 C ATOM 1249 O LEU A 80 5.359 3.692 -8.413 1.00 0.00 O ATOM 1250 CB LEU A 80 3.423 2.556 -10.658 1.00 0.00 C ATOM 1251 CG LEU A 80 3.216 2.305 -12.155 1.00 0.00 C ATOM 1252 CD1 LEU A 80 2.588 0.923 -12.350 1.00 0.00 C ATOM 1253 CD2 LEU A 80 2.291 3.384 -12.752 1.00 0.00 C ATOM 0 H LEU A 80 5.751 2.950 -11.457 1.00 0.00 H new ATOM 0 HA LEU A 80 3.501 4.705 -10.839 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.018 1.753 -10.223 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.463 2.556 -10.143 1.00 0.00 H new ATOM 0 HG LEU A 80 4.179 2.348 -12.664 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.438 0.738 -13.414 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.250 0.161 -11.939 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.628 0.884 -11.836 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.151 3.195 -13.816 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.325 3.354 -12.248 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.742 4.367 -12.614 1.00 0.00 H new ATOM 1265 N SER A 81 3.471 4.815 -8.310 1.00 0.00 N ATOM 1266 CA SER A 81 3.639 5.079 -6.852 1.00 0.00 C ATOM 1267 C SER A 81 2.264 5.303 -6.225 1.00 0.00 C ATOM 1268 O SER A 81 1.333 5.709 -6.888 1.00 0.00 O ATOM 1269 CB SER A 81 4.502 6.324 -6.649 1.00 0.00 C ATOM 1270 OG SER A 81 4.584 6.617 -5.261 1.00 0.00 O ATOM 0 H SER A 81 2.625 5.205 -8.725 1.00 0.00 H new ATOM 0 HA SER A 81 4.126 4.226 -6.379 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.499 6.160 -7.057 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.073 7.170 -7.186 1.00 0.00 H new ATOM 0 HG SER A 81 4.502 5.787 -4.746 1.00 0.00 H new ATOM 1276 N LEU A 82 2.129 5.039 -4.952 1.00 0.00 N ATOM 1277 CA LEU A 82 0.810 5.232 -4.274 1.00 0.00 C ATOM 1278 C LEU A 82 0.856 6.514 -3.447 1.00 0.00 C ATOM 1279 O LEU A 82 1.765 6.734 -2.673 1.00 0.00 O ATOM 1280 CB LEU A 82 0.540 4.036 -3.360 1.00 0.00 C ATOM 1281 CG LEU A 82 0.592 2.743 -4.180 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.367 1.546 -3.252 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.495 2.765 -5.272 1.00 0.00 C ATOM 0 H LEU A 82 2.877 4.697 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 82 0.015 5.309 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.280 4.002 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.436 4.140 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 82 1.569 2.659 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.403 0.624 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.145 1.526 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.608 1.635 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.450 1.842 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.477 2.854 -4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.329 3.615 -5.934 1.00 0.00 H new ATOM 1295 N SER A 83 -0.122 7.365 -3.618 1.00 0.00 N ATOM 1296 CA SER A 83 -0.159 8.653 -2.861 1.00 0.00 C ATOM 1297 C SER A 83 -1.211 8.567 -1.756 1.00 0.00 C ATOM 1298 O SER A 83 -2.351 8.221 -1.998 1.00 0.00 O ATOM 1299 CB SER A 83 -0.523 9.784 -3.825 1.00 0.00 C ATOM 1300 OG SER A 83 -0.931 10.923 -3.083 1.00 0.00 O ATOM 0 H SER A 83 -0.905 7.222 -4.256 1.00 0.00 H new ATOM 0 HA SER A 83 0.816 8.847 -2.414 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.334 10.032 -4.452 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.324 9.465 -4.492 1.00 0.00 H new ATOM 0 HG SER A 83 -1.163 11.649 -3.699 1.00 0.00 H new ATOM 1306 N VAL A 84 -0.839 8.887 -0.545 1.00 0.00 N ATOM 1307 CA VAL A 84 -1.813 8.835 0.588 1.00 0.00 C ATOM 1308 C VAL A 84 -2.283 10.258 0.893 1.00 0.00 C ATOM 1309 O VAL A 84 -1.595 11.023 1.544 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.116 8.241 1.814 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.156 7.842 2.860 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.318 7.007 1.387 1.00 0.00 C ATOM 0 H VAL A 84 0.103 9.184 -0.289 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.671 8.216 0.327 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.445 8.983 2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.653 7.420 3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.725 8.721 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.832 7.100 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.182 6.578 2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.993 6.268 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.427 7.294 0.645 1.00 0.00 H new ATOM 1322 N GLY A 85 -3.446 10.622 0.414 1.00 0.00 N ATOM 1323 CA GLY A 85 -3.971 12.001 0.656 1.00 0.00 C ATOM 1324 C GLY A 85 -4.933 11.995 1.842 1.00 0.00 C ATOM 1325 O GLY A 85 -5.045 11.024 2.563 1.00 0.00 O ATOM 0 H GLY A 85 -4.058 10.020 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.144 12.684 0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.482 12.366 -0.235 1.00 0.00 H new ATOM 1329 N ASP A 86 -5.628 13.080 2.045 1.00 0.00 N ATOM 1330 CA ASP A 86 -6.590 13.162 3.177 1.00 0.00 C ATOM 1331 C ASP A 86 -7.773 12.231 2.914 1.00 0.00 C ATOM 1332 O ASP A 86 -8.521 11.895 3.812 1.00 0.00 O ATOM 1333 CB ASP A 86 -7.095 14.600 3.304 1.00 0.00 C ATOM 1334 CG ASP A 86 -5.963 15.492 3.813 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -4.973 14.950 4.279 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -6.103 16.701 3.728 1.00 0.00 O ATOM 0 H ASP A 86 -5.569 13.920 1.469 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.093 12.862 4.100 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.450 14.959 2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.941 14.641 3.990 1.00 0.00 H new ATOM 1341 N SER A 87 -7.951 11.815 1.689 1.00 0.00 N ATOM 1342 CA SER A 87 -9.090 10.913 1.364 1.00 0.00 C ATOM 1343 C SER A 87 -8.709 9.467 1.683 1.00 0.00 C ATOM 1344 O SER A 87 -9.535 8.577 1.637 1.00 0.00 O ATOM 1345 CB SER A 87 -9.412 11.026 -0.126 1.00 0.00 C ATOM 1346 OG SER A 87 -9.885 12.336 -0.405 1.00 0.00 O ATOM 0 H SER A 87 -7.355 12.062 0.899 1.00 0.00 H new ATOM 0 HA SER A 87 -9.959 11.201 1.956 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.523 10.814 -0.719 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.164 10.288 -0.404 1.00 0.00 H new ATOM 0 HG SER A 87 -10.091 12.413 -1.360 1.00 0.00 H new ATOM 1352 N SER A 88 -7.466 9.223 2.003 1.00 0.00 N ATOM 1353 CA SER A 88 -7.030 7.832 2.319 1.00 0.00 C ATOM 1354 C SER A 88 -7.217 7.552 3.810 1.00 0.00 C ATOM 1355 O SER A 88 -7.425 8.455 4.596 1.00 0.00 O ATOM 1356 CB SER A 88 -5.557 7.668 1.957 1.00 0.00 C ATOM 1357 OG SER A 88 -5.087 6.432 2.476 1.00 0.00 O ATOM 0 H SER A 88 -6.732 9.929 2.059 1.00 0.00 H new ATOM 0 HA SER A 88 -7.633 7.130 1.743 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.430 7.694 0.875 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.975 8.494 2.366 1.00 0.00 H new ATOM 0 HG SER A 88 -4.626 5.935 1.769 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.136 6.302 4.201 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.297 5.937 5.649 1.00 0.00 C ATOM 1365 C ARG A 89 -6.073 5.140 6.103 1.00 0.00 C ATOM 1366 O ARG A 89 -5.638 4.224 5.433 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.553 5.078 5.831 1.00 0.00 C ATOM 1368 CG ARG A 89 -8.762 4.784 7.319 1.00 0.00 C ATOM 1369 CD ARG A 89 -10.050 3.979 7.506 1.00 0.00 C ATOM 1370 NE ARG A 89 -9.889 2.632 6.889 1.00 0.00 N ATOM 1371 CZ ARG A 89 -10.898 1.804 6.856 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -12.054 2.163 7.345 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -10.754 0.617 6.330 1.00 0.00 N ATOM 0 H ARG A 89 -6.964 5.513 3.577 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.392 6.846 6.243 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.422 5.596 5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.452 4.145 5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.912 4.227 7.713 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.819 5.717 7.880 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -10.278 3.880 8.567 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -10.889 4.503 7.047 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.990 2.357 6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.169 3.091 7.753 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.842 1.516 7.319 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -9.852 0.336 5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.543 -0.029 6.305 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.521 5.484 7.242 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.320 4.760 7.767 1.00 0.00 C ATOM 1389 C ILE A 90 -4.665 4.135 9.114 1.00 0.00 C ATOM 1390 O ILE A 90 -5.156 4.801 10.003 1.00 0.00 O ATOM 1391 CB ILE A 90 -3.169 5.749 7.958 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -2.800 6.352 6.599 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -1.956 5.021 8.548 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -1.761 7.464 6.777 1.00 0.00 C ATOM 0 H ILE A 90 -5.855 6.243 7.836 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.023 3.986 7.060 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.474 6.542 8.641 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.404 5.576 5.944 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.692 6.752 6.116 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.138 5.728 8.683 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.225 4.589 9.512 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.642 4.228 7.869 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.507 7.884 5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.172 8.247 7.414 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.864 7.053 7.240 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.407 2.861 9.275 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.712 2.179 10.578 1.00 0.00 C ATOM 1408 C GLU A 91 -3.457 1.473 11.089 1.00 0.00 C ATOM 1409 O GLU A 91 -2.781 0.773 10.361 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.840 1.163 10.372 1.00 0.00 C ATOM 1411 CG GLU A 91 -7.179 1.900 10.250 1.00 0.00 C ATOM 1412 CD GLU A 91 -7.552 2.513 11.602 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -6.886 2.200 12.575 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -8.500 3.280 11.643 1.00 0.00 O ATOM 0 H GLU A 91 -3.997 2.259 8.560 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.029 2.918 11.313 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.654 0.575 9.473 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.872 0.465 11.209 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.108 2.680 9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.957 1.210 9.925 1.00 0.00 H new ATOM 1421 N SER A 92 -3.138 1.666 12.339 1.00 0.00 N ATOM 1422 CA SER A 92 -1.924 1.028 12.915 1.00 0.00 C ATOM 1423 C SER A 92 -2.092 -0.492 12.951 1.00 0.00 C ATOM 1424 O SER A 92 -3.102 -1.003 13.389 1.00 0.00 O ATOM 1425 CB SER A 92 -1.717 1.548 14.334 1.00 0.00 C ATOM 1426 OG SER A 92 -0.724 0.766 14.980 1.00 0.00 O ATOM 0 H SER A 92 -3.671 2.243 12.990 1.00 0.00 H new ATOM 0 HA SER A 92 -1.061 1.273 12.296 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.413 2.594 14.309 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.653 1.501 14.891 1.00 0.00 H new ATOM 0 HG SER A 92 -0.588 1.099 15.892 1.00 0.00 H new ATOM 1432 N VAL A 93 -1.096 -1.214 12.503 1.00 0.00 N ATOM 1433 CA VAL A 93 -1.161 -2.708 12.513 1.00 0.00 C ATOM 1434 C VAL A 93 -0.235 -3.239 13.611 1.00 0.00 C ATOM 1435 O VAL A 93 -0.641 -4.018 14.451 1.00 0.00 O ATOM 1436 CB VAL A 93 -0.704 -3.236 11.151 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -0.547 -4.759 11.207 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -1.751 -2.872 10.095 1.00 0.00 C ATOM 0 H VAL A 93 -0.230 -0.828 12.126 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.181 -3.039 12.706 1.00 0.00 H new ATOM 0 HB VAL A 93 0.255 -2.788 10.893 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.222 -5.127 10.234 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.195 -5.021 11.961 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.503 -5.214 11.466 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.431 -3.245 9.122 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.707 -3.323 10.360 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.861 -1.788 10.050 1.00 0.00 H new ATOM 1448 N ASN A 94 1.008 -2.818 13.606 1.00 0.00 N ATOM 1449 CA ASN A 94 1.978 -3.290 14.648 1.00 0.00 C ATOM 1450 C ASN A 94 2.774 -2.093 15.174 1.00 0.00 C ATOM 1451 O ASN A 94 2.777 -1.806 16.357 1.00 0.00 O ATOM 1452 CB ASN A 94 2.942 -4.311 14.022 1.00 0.00 C ATOM 1453 CG ASN A 94 3.563 -5.186 15.115 1.00 0.00 C ATOM 1454 OD1 ASN A 94 3.487 -4.868 16.285 1.00 0.00 O ATOM 1455 ND2 ASN A 94 4.184 -6.285 14.777 1.00 0.00 N ATOM 0 H ASN A 94 1.394 -2.166 12.923 1.00 0.00 H new ATOM 0 HA ASN A 94 1.436 -3.759 15.469 1.00 0.00 H new ATOM 0 HB2 ASN A 94 2.408 -4.935 13.305 1.00 0.00 H new ATOM 0 HB3 ASN A 94 3.726 -3.792 13.471 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.604 -6.875 15.495 1.00 0.00 H new ATOM 0 HD22 ASN A 94 4.248 -6.553 13.795 1.00 0.00 H new ATOM 1462 N VAL A 95 3.450 -1.398 14.297 1.00 0.00 N ATOM 1463 CA VAL A 95 4.255 -0.223 14.727 1.00 0.00 C ATOM 1464 C VAL A 95 5.189 -0.637 15.868 1.00 0.00 C ATOM 1465 O VAL A 95 5.524 0.160 16.722 1.00 0.00 O ATOM 1466 CB VAL A 95 3.328 0.909 15.190 1.00 0.00 C ATOM 1467 CG1 VAL A 95 4.049 2.254 15.054 1.00 0.00 C ATOM 1468 CG2 VAL A 95 2.070 0.922 14.320 1.00 0.00 C ATOM 0 H VAL A 95 3.477 -1.597 13.297 1.00 0.00 H new ATOM 0 HA VAL A 95 4.849 0.135 13.886 1.00 0.00 H new ATOM 0 HB VAL A 95 3.054 0.747 16.233 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.388 3.056 15.383 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.948 2.249 15.670 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.324 2.416 14.012 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.410 1.725 14.647 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.349 1.083 13.279 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.553 -0.033 14.413 1.00 0.00 H new ATOM 1478 N ASN A 96 5.600 -1.880 15.877 1.00 0.00 N ATOM 1479 CA ASN A 96 6.515 -2.385 16.945 1.00 0.00 C ATOM 1480 C ASN A 96 5.881 -2.198 18.326 1.00 0.00 C ATOM 1481 O ASN A 96 5.437 -1.124 18.683 1.00 0.00 O ATOM 1482 CB ASN A 96 7.855 -1.644 16.883 1.00 0.00 C ATOM 1483 CG ASN A 96 8.588 -2.025 15.595 1.00 0.00 C ATOM 1484 OD1 ASN A 96 8.294 -3.040 14.994 1.00 0.00 O ATOM 1485 ND2 ASN A 96 9.535 -1.250 15.142 1.00 0.00 N ATOM 0 H ASN A 96 5.336 -2.576 15.179 1.00 0.00 H new ATOM 0 HA ASN A 96 6.686 -3.449 16.780 1.00 0.00 H new ATOM 0 HB2 ASN A 96 7.689 -0.567 16.915 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.464 -1.899 17.750 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.028 -1.496 14.284 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.782 -0.398 15.646 1.00 0.00 H new ATOM 1492 N ILE A 97 5.848 -3.250 19.105 1.00 0.00 N ATOM 1493 CA ILE A 97 5.257 -3.184 20.479 1.00 0.00 C ATOM 1494 C ILE A 97 6.379 -3.278 21.532 1.00 0.00 C ATOM 1495 O ILE A 97 6.296 -2.650 22.571 1.00 0.00 O ATOM 1496 CB ILE A 97 4.274 -4.361 20.670 1.00 0.00 C ATOM 1497 CG1 ILE A 97 3.622 -4.707 19.325 1.00 0.00 C ATOM 1498 CG2 ILE A 97 3.185 -3.982 21.684 1.00 0.00 C ATOM 1499 CD1 ILE A 97 2.552 -5.782 19.529 1.00 0.00 C ATOM 0 H ILE A 97 6.211 -4.167 18.844 1.00 0.00 H new ATOM 0 HA ILE A 97 4.727 -2.239 20.600 1.00 0.00 H new ATOM 0 HB ILE A 97 4.823 -5.225 21.045 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.175 -3.815 18.887 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.378 -5.062 18.624 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.498 -4.819 21.810 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.647 -3.744 22.642 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.636 -3.114 21.320 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.092 -6.024 18.571 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.011 -6.678 19.948 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.790 -5.411 20.214 1.00 0.00 H new ATOM 1511 N PRO A 98 7.427 -4.036 21.281 1.00 0.00 N ATOM 1512 CA PRO A 98 8.553 -4.168 22.237 1.00 0.00 C ATOM 1513 C PRO A 98 9.607 -3.078 22.016 1.00 0.00 C ATOM 1514 O PRO A 98 10.576 -2.983 22.745 1.00 0.00 O ATOM 1515 CB PRO A 98 9.112 -5.561 21.931 1.00 0.00 C ATOM 1516 CG PRO A 98 8.831 -5.790 20.470 1.00 0.00 C ATOM 1517 CD PRO A 98 7.669 -4.853 20.074 1.00 0.00 C ATOM 0 HA PRO A 98 8.245 -4.053 23.276 1.00 0.00 H new ATOM 0 HB2 PRO A 98 10.181 -5.610 22.138 1.00 0.00 H new ATOM 0 HB3 PRO A 98 8.633 -6.321 22.548 1.00 0.00 H new ATOM 0 HG2 PRO A 98 9.717 -5.579 19.871 1.00 0.00 H new ATOM 0 HG3 PRO A 98 8.564 -6.831 20.288 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.934 -4.230 19.220 1.00 0.00 H new ATOM 0 HD3 PRO A 98 6.781 -5.419 19.793 1.00 0.00 H new ATOM 1525 N LEU A 99 9.407 -2.261 21.010 1.00 0.00 N ATOM 1526 CA LEU A 99 10.365 -1.156 20.698 1.00 0.00 C ATOM 1527 C LEU A 99 11.763 -1.730 20.439 1.00 0.00 C ATOM 1528 O LEU A 99 12.225 -2.616 21.130 1.00 0.00 O ATOM 1529 CB LEU A 99 10.402 -0.153 21.863 1.00 0.00 C ATOM 1530 CG LEU A 99 9.184 0.775 21.777 1.00 0.00 C ATOM 1531 CD1 LEU A 99 7.898 -0.054 21.861 1.00 0.00 C ATOM 1532 CD2 LEU A 99 9.224 1.775 22.936 1.00 0.00 C ATOM 0 H LEU A 99 8.606 -2.315 20.381 1.00 0.00 H new ATOM 0 HA LEU A 99 10.032 -0.636 19.799 1.00 0.00 H new ATOM 0 HB2 LEU A 99 10.401 -0.684 22.815 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.321 0.431 21.825 1.00 0.00 H new ATOM 0 HG LEU A 99 9.205 1.313 20.829 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.034 0.608 21.800 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.869 -0.766 21.036 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.875 -0.594 22.807 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.359 2.436 22.877 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.204 1.235 23.883 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.137 2.367 22.875 1.00 0.00 H new ATOM 1544 N GLU A 100 12.428 -1.234 19.429 1.00 0.00 N ATOM 1545 CA GLU A 100 13.787 -1.746 19.085 1.00 0.00 C ATOM 1546 C GLU A 100 14.814 -1.313 20.136 1.00 0.00 C ATOM 1547 O GLU A 100 14.491 -0.656 21.105 1.00 0.00 O ATOM 1548 CB GLU A 100 14.194 -1.207 17.712 1.00 0.00 C ATOM 1549 CG GLU A 100 14.249 0.321 17.753 1.00 0.00 C ATOM 1550 CD GLU A 100 14.555 0.854 16.353 1.00 0.00 C ATOM 1551 OE1 GLU A 100 13.696 0.732 15.494 1.00 0.00 O ATOM 1552 OE2 GLU A 100 15.642 1.373 16.163 1.00 0.00 O ATOM 0 H GLU A 100 12.084 -0.489 18.822 1.00 0.00 H new ATOM 0 HA GLU A 100 13.758 -2.835 19.064 1.00 0.00 H new ATOM 0 HB2 GLU A 100 15.167 -1.608 17.427 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.480 -1.535 16.956 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.299 0.721 18.107 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.015 0.650 18.455 1.00 0.00 H new ATOM 1559 N HIS A 101 16.052 -1.694 19.947 1.00 0.00 N ATOM 1560 CA HIS A 101 17.117 -1.330 20.926 1.00 0.00 C ATOM 1561 C HIS A 101 17.372 0.180 20.892 1.00 0.00 C ATOM 1562 O HIS A 101 17.359 0.800 19.848 1.00 0.00 O ATOM 1563 CB HIS A 101 18.404 -2.086 20.574 1.00 0.00 C ATOM 1564 CG HIS A 101 18.962 -1.577 19.272 1.00 0.00 C ATOM 1565 ND1 HIS A 101 19.605 -0.353 19.171 1.00 0.00 N ATOM 1566 CD2 HIS A 101 18.995 -2.124 18.014 1.00 0.00 C ATOM 1567 CE1 HIS A 101 19.995 -0.205 17.890 1.00 0.00 C ATOM 1568 NE2 HIS A 101 19.648 -1.255 17.143 1.00 0.00 N ATOM 0 H HIS A 101 16.371 -2.245 19.150 1.00 0.00 H new ATOM 0 HA HIS A 101 16.794 -1.605 21.930 1.00 0.00 H new ATOM 0 HB2 HIS A 101 19.139 -1.958 21.369 1.00 0.00 H new ATOM 0 HB3 HIS A 101 18.199 -3.154 20.498 1.00 0.00 H new ATOM 0 HD2 HIS A 101 18.578 -3.082 17.741 1.00 0.00 H new ATOM 0 HE1 HIS A 101 20.524 0.658 17.514 1.00 0.00 H new ATOM 0 HE2 HIS A 101 19.823 -1.392 16.148 1.00 0.00 H new ATOM 1576 N HIS A 102 17.594 0.774 22.036 1.00 0.00 N ATOM 1577 CA HIS A 102 17.838 2.246 22.092 1.00 0.00 C ATOM 1578 C HIS A 102 19.268 2.571 21.650 1.00 0.00 C ATOM 1579 O HIS A 102 20.204 1.866 21.969 1.00 0.00 O ATOM 1580 CB HIS A 102 17.630 2.730 23.527 1.00 0.00 C ATOM 1581 CG HIS A 102 16.172 2.635 23.883 1.00 0.00 C ATOM 1582 ND1 HIS A 102 15.618 1.493 24.441 1.00 0.00 N ATOM 1583 CD2 HIS A 102 15.139 3.531 23.761 1.00 0.00 C ATOM 1584 CE1 HIS A 102 14.308 1.730 24.632 1.00 0.00 C ATOM 1585 NE2 HIS A 102 13.963 2.958 24.236 1.00 0.00 N ATOM 0 H HIS A 102 17.617 0.300 22.939 1.00 0.00 H new ATOM 0 HA HIS A 102 17.142 2.748 21.420 1.00 0.00 H new ATOM 0 HB2 HIS A 102 18.223 2.127 24.215 1.00 0.00 H new ATOM 0 HB3 HIS A 102 17.973 3.760 23.628 1.00 0.00 H new ATOM 0 HD2 HIS A 102 15.226 4.529 23.358 1.00 0.00 H new ATOM 0 HE1 HIS A 102 13.619 1.014 25.054 1.00 0.00 H new ATOM 0 HE2 HIS A 102 13.037 3.384 24.274 1.00 0.00 H new ATOM 1593 N HIS A 103 19.438 3.646 20.923 1.00 0.00 N ATOM 1594 CA HIS A 103 20.799 4.038 20.459 1.00 0.00 C ATOM 1595 C HIS A 103 21.554 4.709 21.612 1.00 0.00 C ATOM 1596 O HIS A 103 22.762 4.850 21.575 1.00 0.00 O ATOM 1597 CB HIS A 103 20.670 5.009 19.283 1.00 0.00 C ATOM 1598 CG HIS A 103 19.947 6.249 19.731 1.00 0.00 C ATOM 1599 ND1 HIS A 103 20.565 7.237 20.480 1.00 0.00 N ATOM 1600 CD2 HIS A 103 18.656 6.675 19.541 1.00 0.00 C ATOM 1601 CE1 HIS A 103 19.655 8.202 20.709 1.00 0.00 C ATOM 1602 NE2 HIS A 103 18.474 7.909 20.159 1.00 0.00 N ATOM 0 H HIS A 103 18.687 4.271 20.630 1.00 0.00 H new ATOM 0 HA HIS A 103 21.350 3.155 20.137 1.00 0.00 H new ATOM 0 HB2 HIS A 103 21.658 5.269 18.903 1.00 0.00 H new ATOM 0 HB3 HIS A 103 20.128 4.535 18.465 1.00 0.00 H new ATOM 0 HD1 HIS A 103 21.534 7.234 20.800 1.00 0.00 H new ATOM 0 HD2 HIS A 103 17.897 6.135 18.995 1.00 0.00 H new ATOM 0 HE1 HIS A 103 19.856 9.103 21.269 1.00 0.00 H new ATOM 1610 N HIS A 104 20.844 5.112 22.638 1.00 0.00 N ATOM 1611 CA HIS A 104 21.494 5.766 23.818 1.00 0.00 C ATOM 1612 C HIS A 104 22.311 6.983 23.375 1.00 0.00 C ATOM 1613 O HIS A 104 22.682 7.113 22.227 1.00 0.00 O ATOM 1614 CB HIS A 104 22.413 4.761 24.518 1.00 0.00 C ATOM 1615 CG HIS A 104 23.061 5.418 25.705 1.00 0.00 C ATOM 1616 ND1 HIS A 104 22.365 5.682 26.875 1.00 0.00 N ATOM 1617 CD2 HIS A 104 24.339 5.870 25.918 1.00 0.00 C ATOM 1618 CE1 HIS A 104 23.221 6.266 27.731 1.00 0.00 C ATOM 1619 NE2 HIS A 104 24.439 6.405 27.199 1.00 0.00 N ATOM 0 H HIS A 104 19.831 5.015 22.709 1.00 0.00 H new ATOM 0 HA HIS A 104 20.717 6.097 24.507 1.00 0.00 H new ATOM 0 HB2 HIS A 104 21.841 3.890 24.838 1.00 0.00 H new ATOM 0 HB3 HIS A 104 23.175 4.405 23.825 1.00 0.00 H new ATOM 0 HD2 HIS A 104 25.145 5.818 25.201 1.00 0.00 H new ATOM 0 HE1 HIS A 104 22.956 6.585 28.728 1.00 0.00 H new ATOM 0 HE2 HIS A 104 25.264 6.815 27.637 1.00 0.00 H new ATOM 1627 N HIS A 105 22.592 7.879 24.290 1.00 0.00 N ATOM 1628 CA HIS A 105 23.387 9.094 23.938 1.00 0.00 C ATOM 1629 C HIS A 105 24.145 9.588 25.176 1.00 0.00 C ATOM 1630 O HIS A 105 23.826 9.234 26.294 1.00 0.00 O ATOM 1631 CB HIS A 105 22.446 10.194 23.440 1.00 0.00 C ATOM 1632 CG HIS A 105 21.373 10.452 24.465 1.00 0.00 C ATOM 1633 ND1 HIS A 105 20.328 9.684 24.916 1.00 0.00 N flip ATOM 1634 CD2 HIS A 105 21.286 11.651 25.156 1.00 0.00 C flip ATOM 1635 CE1 HIS A 105 19.602 10.393 25.869 1.00 0.00 C flip ATOM 1636 NE2 HIS A 105 20.221 11.571 25.975 1.00 0.00 N flip ATOM 0 H HIS A 105 22.304 7.820 25.267 1.00 0.00 H new ATOM 0 HA HIS A 105 24.101 8.845 23.153 1.00 0.00 H new ATOM 0 HB2 HIS A 105 23.009 11.108 23.251 1.00 0.00 H new ATOM 0 HB3 HIS A 105 21.994 9.897 22.494 1.00 0.00 H new ATOM 0 HD2 HIS A 105 21.952 12.495 25.055 1.00 0.00 H new ATOM 0 HE1 HIS A 105 18.726 10.061 26.407 1.00 0.00 H new ATOM 0 HE2 HIS A 105 19.923 12.319 26.601 1.00 0.00 H new ATOM 1644 N HIS A 106 25.145 10.403 24.982 1.00 0.00 N ATOM 1645 CA HIS A 106 25.923 10.925 26.142 1.00 0.00 C ATOM 1646 C HIS A 106 26.763 12.122 25.691 1.00 0.00 C ATOM 1647 O HIS A 106 27.967 11.964 25.568 1.00 0.00 O ATOM 1648 CB HIS A 106 26.849 9.832 26.680 1.00 0.00 C ATOM 1649 CG HIS A 106 27.575 9.177 25.539 1.00 0.00 C ATOM 1650 ND1 HIS A 106 27.854 9.845 24.357 1.00 0.00 N ATOM 1651 CD2 HIS A 106 28.090 7.914 25.385 1.00 0.00 C ATOM 1652 CE1 HIS A 106 28.509 8.990 23.552 1.00 0.00 C ATOM 1653 NE2 HIS A 106 28.679 7.797 24.129 1.00 0.00 N ATOM 1654 OXT HIS A 106 26.188 13.175 25.475 1.00 0.00 O ATOM 0 H HIS A 106 25.458 10.731 24.068 1.00 0.00 H new ATOM 0 HA HIS A 106 25.234 11.233 26.928 1.00 0.00 H new ATOM 0 HB2 HIS A 106 27.565 10.261 27.381 1.00 0.00 H new ATOM 0 HB3 HIS A 106 26.270 9.090 27.230 1.00 0.00 H new ATOM 0 HD2 HIS A 106 28.045 7.130 26.126 1.00 0.00 H new ATOM 0 HE1 HIS A 106 28.856 9.238 22.560 1.00 0.00 H new ATOM 0 HE2 HIS A 106 29.141 6.977 23.734 1.00 0.00 H new TER 1662 HIS A 106