USER MOD reduce.3.24.130724 H: found=0, std=0, add=1514, rem=0, adj=73 USER MOD reduce.3.24.130724 removed 1502 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: B 80 CYS SG : rot 180:sc= 0.796 USER MOD Set 1.2: B 84 ASN : amide:sc= 0.905 K(o=1.7,f=0.25) USER MOD Set 2.1: B 32 LYS NZ :NH3+ -130:sc= 2.14 (180deg=-0.539) USER MOD Set 2.2: B 63 SER OG : rot 95:sc= 2.05 USER MOD Set 3.1: B 61 LYS NZ :NH3+ -150:sc= 1.12 (180deg=1.21) USER MOD Set 3.2: B 62 ASN : amide:sc= 0.928 K(o=3,f=-2.9) USER MOD Set 3.3: B 65 GLN : amide:sc= 0.935 K(o=3,f=-3.9) USER MOD Set 4.1: B 18 LYS NZ :NH3+ -170:sc= 1.31 (180deg=1.11) USER MOD Set 4.2: B 19 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: B 15 THR OG1 : rot 89:sc= 0.262 USER MOD Set 5.2: B 72 TYR OH : rot 174:sc= 1.18 USER MOD Set 6.1: B 7 LYS NZ :NH3+ -107:sc= 0.161 (180deg=-0.652) USER MOD Set 6.2: B 10 THR OG1 : rot 18:sc= 1.41 USER MOD Set 7.1: A 81 MET CE :methyl -137:sc= -0.034 (180deg=-1.82!) USER MOD Set 7.2: B 70 LYS NZ :NH3+ 167:sc= 1.28 (180deg=1.02) USER MOD Set 8.1: A 77 THR OG1 : rot 85:sc= 1.07 USER MOD Set 8.2: B 73 SER OG : rot -86:sc= 1.2 USER MOD Set 9.1: A 62 ASN : amide:sc= 0.989 K(o=0.79,f=-1.1) USER MOD Set 9.2: A 65 GLN : amide:sc= -0.198 K(o=0.79,f=-2.8) USER MOD Set10.1: A 58 SER OG : rot 119:sc= 1.6 USER MOD Set10.2: A 61 LYS NZ :NH3+ -123:sc= 1.11 (180deg=0.0829) USER MOD Set11.1: A 43 CYS SG : rot 178:sc= 0.926 USER MOD Set11.2: B 3 THR OG1 : rot -126:sc= 0.882 USER MOD Set12.1: A 32 LYS NZ :NH3+ 157:sc= 1.89 (180deg=0.696) USER MOD Set12.2: A 63 SER OG : rot -19:sc= 2.21 USER MOD Set13.1: A 25 SER OG : rot 117:sc= 0.347 USER MOD Set13.2: A 28 THR OG1 : rot 115:sc= 1.46 USER MOD Set14.1: A 15 THR OG1 : rot 171:sc= 1.39 USER MOD Set14.2: A 72 TYR OH : rot 167:sc= 0.872 USER MOD Set15.1: A 12 MET CE :methyl 166:sc= 0 (180deg=-0.0314) USER MOD Set15.2: A 73 SER OG : rot 167:sc= 0.147 USER MOD Set15.3: B 77 THR OG1 : rot 76:sc= 1.48 USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0152) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.24 (180deg=1.01) USER MOD Single : A 3 THR OG1 : rot 179:sc= 1.53 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0539 USER MOD Single : A 11 THR OG1 : rot 51:sc= 1.17 USER MOD Single : A 14 THR OG1 : rot 73:sc= 1.26 USER MOD Single : A 17 HIS : no HE2:sc= -0.236 K(o=-0.24,f=-2.1) USER MOD Single : A 18 LYS NZ :NH3+ -153:sc= 1.24 (180deg=0.773) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -89:sc= 0.796 USER MOD Single : A 26 LYS NZ :NH3+ 145:sc= 1.47 (180deg=0.727) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00825 USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= 1.3 (180deg=1.18) USER MOD Single : A 39 LYS NZ :NH3+ 150:sc= 2.13 (180deg=1.14) USER MOD Single : A 40 LYS NZ :NH3+ 156:sc= 1.28 (180deg=1.07) USER MOD Single : A 47 MET CE :methyl -156:sc= -0.132 (180deg=-0.183) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= 0.0655 (180deg=-0.469) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00612 USER MOD Single : A 51 SER OG : rot -16:sc= 1.26 USER MOD Single : A 56 MET CE :methyl 175:sc= -0.633 (180deg=-0.733) USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= 1.34 (180deg=1.3) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 1.38 (180deg=1.38) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 12:sc= 1.26 USER MOD Single : A 84 ASN : amide:sc= -0.471 K(o=-0.47,f=-1) USER MOD Single : A 91 ASN : amide:sc= -0.0208 X(o=-0.021,f=-0.027) USER MOD Single : A 92 LYS NZ :NH3+ 164:sc= 0.366 (180deg=-0.468) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -141:sc= 0.354 (180deg=-1.36!) USER MOD Single : B 11 THR OG1 : rot 138:sc= 0.649 USER MOD Single : B 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 14 THR OG1 : rot 70:sc= 1.29 USER MOD Single : B 17 HIS : no HE2:sc= 0.701 K(o=0.7,f=-4.3!) USER MOD Single : B 20 SER OG : rot 157:sc= 0.571 USER MOD Single : B 25 SER OG : rot -138:sc= 1.28 USER MOD Single : B 26 LYS NZ :NH3+ -165:sc= 0.72 (180deg=-0.046!) USER MOD Single : B 28 THR OG1 : rot 111:sc= 1.28 USER MOD Single : B 30 SER OG : rot 166:sc= 1.17 USER MOD Single : B 35 LYS NZ :NH3+ -175:sc= 1.14 (180deg=1.06) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 1.48 (180deg=1.48) USER MOD Single : B 40 LYS NZ :NH3+ -158:sc= 1.18 (180deg=0.653) USER MOD Single : B 43 CYS SG : rot -53:sc= -0.255 USER MOD Single : B 47 MET CE :methyl -169:sc= -0.718 (180deg=-1.68) USER MOD Single : B 48 LYS NZ :NH3+ 146:sc= 1.15 (180deg=0.906) USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot 88:sc= 1.27 USER MOD Single : B 56 MET CE :methyl 176:sc= -0.325 (180deg=-0.391) USER MOD Single : B 57 LYS NZ :NH3+ -177:sc= 0.362 (180deg=0.266) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 78 MET CE :methyl 153:sc= 0 (180deg=-0.554) USER MOD Single : B 81 MET CE :methyl 159:sc= 0 (180deg=-0.351) USER MOD Single : B 83 TYR OH : rot 121:sc= 0.0268 USER MOD Single : B 91 ASN : amide:sc= 0.257 K(o=0.26,f=-0.25) USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0.348! (180deg=0.348!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.246 2.137 21.460 1.00 3.87 N ATOM 2 CA MET A 1 10.749 3.392 22.061 1.00 3.37 C ATOM 3 C MET A 1 9.542 3.849 21.271 1.00 2.40 C ATOM 4 O MET A 1 9.648 4.105 20.078 1.00 3.27 O ATOM 5 CB MET A 1 11.819 4.484 22.119 1.00 4.37 C ATOM 6 CG MET A 1 12.750 4.270 23.317 1.00 5.73 C ATOM 7 SD MET A 1 14.194 5.364 23.355 1.00 7.02 S ATOM 8 CE MET A 1 13.404 6.972 23.633 1.00 8.16 C ATOM 0 H1 MET A 1 12.046 1.777 22.019 1.00 3.87 H new ATOM 0 H2 MET A 1 10.483 1.430 21.452 1.00 3.87 H new ATOM 0 H3 MET A 1 11.559 2.319 20.485 1.00 3.87 H new ATOM 0 HA MET A 1 10.472 3.198 23.097 1.00 3.37 H new ATOM 0 HB2 MET A 1 12.399 4.480 21.196 1.00 4.37 H new ATOM 0 HB3 MET A 1 11.343 5.462 22.192 1.00 4.37 H new ATOM 0 HG2 MET A 1 12.179 4.412 24.234 1.00 5.73 H new ATOM 0 HG3 MET A 1 13.094 3.236 23.313 1.00 5.73 H new ATOM 0 HE1 MET A 1 14.170 7.735 23.769 1.00 8.16 H new ATOM 0 HE2 MET A 1 12.786 7.227 22.772 1.00 8.16 H new ATOM 0 HE3 MET A 1 12.780 6.922 24.526 1.00 8.16 H new ATOM 17 N GLU A 2 8.382 3.843 21.917 1.00 2.21 N ATOM 18 CA GLU A 2 7.114 3.577 21.244 1.00 2.34 C ATOM 19 C GLU A 2 6.397 4.883 20.924 1.00 2.15 C ATOM 20 O GLU A 2 5.450 5.294 21.597 1.00 2.77 O ATOM 21 CB GLU A 2 6.299 2.606 22.114 1.00 3.81 C ATOM 22 CG GLU A 2 6.876 1.179 22.041 1.00 4.43 C ATOM 23 CD GLU A 2 8.332 1.036 22.523 1.00 4.09 C ATOM 24 OE1 GLU A 2 8.745 1.701 23.501 1.00 4.58 O ATOM 25 OE2 GLU A 2 9.142 0.452 21.773 1.00 4.48 O ATOM 0 H GLU A 2 8.293 4.021 22.917 1.00 2.21 H new ATOM 0 HA GLU A 2 7.270 3.095 20.279 1.00 2.34 H new ATOM 0 HB2 GLU A 2 6.301 2.950 23.148 1.00 3.81 H new ATOM 0 HB3 GLU A 2 5.261 2.599 21.782 1.00 3.81 H new ATOM 0 HG2 GLU A 2 6.246 0.518 22.637 1.00 4.43 H new ATOM 0 HG3 GLU A 2 6.816 0.832 21.009 1.00 4.43 H new ATOM 32 N THR A 3 6.911 5.543 19.889 1.00 1.45 N ATOM 33 CA THR A 3 6.365 6.795 19.357 1.00 1.27 C ATOM 34 C THR A 3 5.185 6.499 18.415 1.00 1.28 C ATOM 35 O THR A 3 5.060 5.360 17.944 1.00 1.40 O ATOM 36 CB THR A 3 7.451 7.659 18.681 1.00 1.17 C ATOM 37 OG1 THR A 3 7.352 7.514 17.292 1.00 1.48 O ATOM 38 CG2 THR A 3 8.903 7.383 19.081 1.00 1.39 C ATOM 0 H THR A 3 7.736 5.218 19.384 1.00 1.45 H new ATOM 0 HA THR A 3 5.989 7.386 20.192 1.00 1.27 H new ATOM 0 HB THR A 3 7.242 8.670 19.032 1.00 1.17 H new ATOM 0 HG1 THR A 3 8.029 8.072 16.856 1.00 1.48 H new ATOM 0 HG21 THR A 3 9.565 8.056 18.536 1.00 1.39 H new ATOM 0 HG22 THR A 3 9.023 7.546 20.152 1.00 1.39 H new ATOM 0 HG23 THR A 3 9.157 6.351 18.840 1.00 1.39 H new ATOM 46 N PRO A 4 4.336 7.493 18.087 1.00 1.28 N ATOM 47 CA PRO A 4 3.262 7.308 17.125 1.00 1.44 C ATOM 48 C PRO A 4 3.822 7.051 15.724 1.00 1.16 C ATOM 49 O PRO A 4 3.440 6.064 15.096 1.00 1.16 O ATOM 50 CB PRO A 4 2.405 8.580 17.211 1.00 1.71 C ATOM 51 CG PRO A 4 3.368 9.647 17.727 1.00 1.49 C ATOM 52 CD PRO A 4 4.348 8.858 18.596 1.00 1.30 C ATOM 0 HA PRO A 4 2.653 6.431 17.345 1.00 1.44 H new ATOM 0 HB2 PRO A 4 1.995 8.851 16.238 1.00 1.71 H new ATOM 0 HB3 PRO A 4 1.560 8.446 17.887 1.00 1.71 H new ATOM 0 HG2 PRO A 4 3.878 10.156 16.909 1.00 1.49 H new ATOM 0 HG3 PRO A 4 2.847 10.412 18.303 1.00 1.49 H new ATOM 0 HD2 PRO A 4 5.349 9.285 18.540 1.00 1.30 H new ATOM 0 HD3 PRO A 4 4.048 8.885 19.644 1.00 1.30 H new ATOM 60 N LEU A 5 4.745 7.885 15.230 1.00 1.03 N ATOM 61 CA LEU A 5 5.289 7.727 13.881 1.00 0.96 C ATOM 62 C LEU A 5 6.070 6.420 13.717 1.00 0.86 C ATOM 63 O LEU A 5 5.844 5.703 12.743 1.00 0.89 O ATOM 64 CB LEU A 5 6.137 8.963 13.532 1.00 0.98 C ATOM 65 CG LEU A 5 6.618 9.006 12.068 1.00 1.22 C ATOM 66 CD1 LEU A 5 5.441 8.916 11.090 1.00 1.57 C ATOM 67 CD2 LEU A 5 7.397 10.306 11.827 1.00 2.25 C ATOM 0 H LEU A 5 5.129 8.676 15.747 1.00 1.03 H new ATOM 0 HA LEU A 5 4.462 7.658 13.175 1.00 0.96 H new ATOM 0 HB2 LEU A 5 5.553 9.860 13.737 1.00 0.98 H new ATOM 0 HB3 LEU A 5 7.006 8.991 14.189 1.00 0.98 H new ATOM 0 HG LEU A 5 7.265 8.146 11.893 1.00 1.22 H new ATOM 0 HD11 LEU A 5 5.815 8.949 10.067 1.00 1.57 H new ATOM 0 HD12 LEU A 5 4.905 7.980 11.251 1.00 1.57 H new ATOM 0 HD13 LEU A 5 4.765 9.754 11.256 1.00 1.57 H new ATOM 0 HD21 LEU A 5 7.738 10.339 10.792 1.00 2.25 H new ATOM 0 HD22 LEU A 5 6.749 11.160 12.023 1.00 2.25 H new ATOM 0 HD23 LEU A 5 8.258 10.343 12.495 1.00 2.25 H new ATOM 79 N GLU A 6 6.900 6.073 14.706 1.00 0.85 N ATOM 80 CA GLU A 6 7.625 4.803 14.750 1.00 0.94 C ATOM 81 C GLU A 6 6.641 3.627 14.662 1.00 0.92 C ATOM 82 O GLU A 6 6.800 2.725 13.834 1.00 1.03 O ATOM 83 CB GLU A 6 8.448 4.758 16.053 1.00 1.18 C ATOM 84 CG GLU A 6 9.709 3.897 15.985 1.00 1.52 C ATOM 85 CD GLU A 6 10.942 4.706 15.553 1.00 3.19 C ATOM 86 OE1 GLU A 6 11.279 5.704 16.247 1.00 4.64 O ATOM 87 OE2 GLU A 6 11.571 4.331 14.540 1.00 3.92 O ATOM 0 H GLU A 6 7.088 6.675 15.508 1.00 0.85 H new ATOM 0 HA GLU A 6 8.301 4.721 13.899 1.00 0.94 H new ATOM 0 HB2 GLU A 6 8.734 5.775 16.321 1.00 1.18 H new ATOM 0 HB3 GLU A 6 7.812 4.383 16.855 1.00 1.18 H new ATOM 0 HG2 GLU A 6 9.894 3.449 16.961 1.00 1.52 H new ATOM 0 HG3 GLU A 6 9.550 3.078 15.284 1.00 1.52 H new ATOM 94 N LYS A 7 5.542 3.678 15.424 1.00 0.86 N ATOM 95 CA LYS A 7 4.509 2.645 15.392 1.00 0.94 C ATOM 96 C LYS A 7 3.835 2.545 14.014 1.00 0.88 C ATOM 97 O LYS A 7 3.395 1.460 13.627 1.00 0.96 O ATOM 98 CB LYS A 7 3.526 2.919 16.550 1.00 1.15 C ATOM 99 CG LYS A 7 2.280 2.034 16.585 1.00 2.21 C ATOM 100 CD LYS A 7 1.175 2.622 15.693 1.00 4.28 C ATOM 101 CE LYS A 7 0.546 1.528 14.845 1.00 5.93 C ATOM 102 NZ LYS A 7 -0.262 0.583 15.648 1.00 7.12 N ATOM 0 H LYS A 7 5.347 4.436 16.078 1.00 0.86 H new ATOM 0 HA LYS A 7 4.952 1.660 15.541 1.00 0.94 H new ATOM 0 HB2 LYS A 7 4.061 2.799 17.492 1.00 1.15 H new ATOM 0 HB3 LYS A 7 3.208 3.960 16.494 1.00 1.15 H new ATOM 0 HG2 LYS A 7 2.532 1.029 16.247 1.00 2.21 H new ATOM 0 HG3 LYS A 7 1.919 1.945 17.610 1.00 2.21 H new ATOM 0 HD2 LYS A 7 0.413 3.096 16.311 1.00 4.28 H new ATOM 0 HD3 LYS A 7 1.591 3.397 15.049 1.00 4.28 H new ATOM 0 HE2 LYS A 7 -0.085 1.982 14.081 1.00 5.93 H new ATOM 0 HE3 LYS A 7 1.331 0.979 14.325 1.00 5.93 H new ATOM 0 HZ1 LYS A 7 -0.669 -0.143 15.024 1.00 7.12 H new ATOM 0 HZ2 LYS A 7 0.343 0.127 16.361 1.00 7.12 H new ATOM 0 HZ3 LYS A 7 -1.029 1.100 16.124 1.00 7.12 H new ATOM 116 N ALA A 8 3.711 3.642 13.260 1.00 0.81 N ATOM 117 CA ALA A 8 3.083 3.639 11.936 1.00 0.81 C ATOM 118 C ALA A 8 3.875 2.764 10.959 1.00 0.71 C ATOM 119 O ALA A 8 3.288 1.870 10.342 1.00 0.76 O ATOM 120 CB ALA A 8 2.951 5.081 11.439 1.00 0.95 C ATOM 0 H ALA A 8 4.045 4.560 13.553 1.00 0.81 H new ATOM 0 HA ALA A 8 2.085 3.206 12.004 1.00 0.81 H new ATOM 0 HB1 ALA A 8 2.484 5.085 10.454 1.00 0.95 H new ATOM 0 HB2 ALA A 8 2.335 5.651 12.135 1.00 0.95 H new ATOM 0 HB3 ALA A 8 3.940 5.535 11.374 1.00 0.95 H new ATOM 126 N LEU A 9 5.205 2.912 10.934 1.00 0.67 N ATOM 127 CA LEU A 9 6.100 1.994 10.224 1.00 0.70 C ATOM 128 C LEU A 9 5.945 0.560 10.748 1.00 0.80 C ATOM 129 O LEU A 9 5.863 -0.361 9.928 1.00 0.83 O ATOM 130 CB LEU A 9 7.574 2.453 10.326 1.00 0.76 C ATOM 131 CG LEU A 9 8.023 3.649 9.455 1.00 0.71 C ATOM 132 CD1 LEU A 9 7.726 3.425 7.965 1.00 0.92 C ATOM 133 CD2 LEU A 9 7.427 4.981 9.923 1.00 0.86 C ATOM 0 H LEU A 9 5.691 3.674 11.407 1.00 0.67 H new ATOM 0 HA LEU A 9 5.816 2.007 9.172 1.00 0.70 H new ATOM 0 HB2 LEU A 9 7.774 2.704 11.368 1.00 0.76 H new ATOM 0 HB3 LEU A 9 8.207 1.602 10.076 1.00 0.76 H new ATOM 0 HG LEU A 9 9.104 3.711 9.581 1.00 0.71 H new ATOM 0 HD11 LEU A 9 8.059 4.291 7.393 1.00 0.92 H new ATOM 0 HD12 LEU A 9 8.254 2.537 7.618 1.00 0.92 H new ATOM 0 HD13 LEU A 9 6.654 3.288 7.824 1.00 0.92 H new ATOM 0 HD21 LEU A 9 7.777 5.784 9.274 1.00 0.86 H new ATOM 0 HD22 LEU A 9 6.339 4.928 9.880 1.00 0.86 H new ATOM 0 HD23 LEU A 9 7.740 5.180 10.948 1.00 0.86 H new ATOM 145 N THR A 10 5.814 0.358 12.074 1.00 0.89 N ATOM 146 CA THR A 10 5.619 -0.986 12.651 1.00 0.97 C ATOM 147 C THR A 10 4.394 -1.665 12.056 1.00 0.97 C ATOM 148 O THR A 10 4.489 -2.822 11.656 1.00 1.02 O ATOM 149 CB THR A 10 5.494 -0.962 14.177 1.00 1.09 C ATOM 150 OG1 THR A 10 6.476 -0.148 14.755 1.00 1.31 O ATOM 151 CG2 THR A 10 5.642 -2.368 14.744 1.00 1.16 C ATOM 0 H THR A 10 5.840 1.108 12.765 1.00 0.89 H new ATOM 0 HA THR A 10 6.513 -1.555 12.397 1.00 0.97 H new ATOM 0 HB THR A 10 4.508 -0.562 14.414 1.00 1.09 H new ATOM 0 HG1 THR A 10 6.371 -0.150 15.729 1.00 1.31 H new ATOM 0 HG21 THR A 10 5.551 -2.334 15.830 1.00 1.16 H new ATOM 0 HG22 THR A 10 4.862 -3.010 14.334 1.00 1.16 H new ATOM 0 HG23 THR A 10 6.619 -2.768 14.474 1.00 1.16 H new ATOM 159 N THR A 11 3.267 -0.958 11.928 1.00 0.93 N ATOM 160 CA THR A 11 2.057 -1.456 11.248 1.00 0.95 C ATOM 161 C THR A 11 2.328 -1.826 9.801 1.00 0.84 C ATOM 162 O THR A 11 1.953 -2.927 9.422 1.00 0.86 O ATOM 163 CB THR A 11 0.864 -0.494 11.374 1.00 1.00 C ATOM 164 OG1 THR A 11 1.260 0.774 11.820 1.00 1.95 O ATOM 165 CG2 THR A 11 -0.156 -1.021 12.379 1.00 1.54 C ATOM 0 H THR A 11 3.163 -0.012 12.296 1.00 0.93 H new ATOM 0 HA THR A 11 1.773 -2.370 11.769 1.00 0.95 H new ATOM 0 HB THR A 11 0.430 -0.420 10.377 1.00 1.00 H new ATOM 0 HG1 THR A 11 2.007 1.095 11.273 1.00 1.95 H new ATOM 0 HG21 THR A 11 -0.990 -0.323 12.451 1.00 1.54 H new ATOM 0 HG22 THR A 11 -0.523 -1.993 12.049 1.00 1.54 H new ATOM 0 HG23 THR A 11 0.316 -1.124 13.356 1.00 1.54 H new ATOM 173 N MET A 12 3.054 -0.996 9.046 1.00 0.73 N ATOM 174 CA MET A 12 3.344 -1.263 7.623 1.00 0.72 C ATOM 175 C MET A 12 4.215 -2.510 7.420 1.00 0.78 C ATOM 176 O MET A 12 3.961 -3.277 6.498 1.00 0.75 O ATOM 177 CB MET A 12 4.035 -0.058 6.959 1.00 0.67 C ATOM 178 CG MET A 12 3.115 1.157 6.832 1.00 0.85 C ATOM 179 SD MET A 12 3.944 2.588 6.089 1.00 0.94 S ATOM 180 CE MET A 12 2.766 2.969 4.773 1.00 0.83 C ATOM 0 H MET A 12 3.457 -0.126 9.394 1.00 0.73 H new ATOM 0 HA MET A 12 2.378 -1.441 7.151 1.00 0.72 H new ATOM 0 HB2 MET A 12 4.914 0.217 7.542 1.00 0.67 H new ATOM 0 HB3 MET A 12 4.386 -0.347 5.969 1.00 0.67 H new ATOM 0 HG2 MET A 12 2.249 0.890 6.227 1.00 0.85 H new ATOM 0 HG3 MET A 12 2.742 1.430 7.819 1.00 0.85 H new ATOM 0 HE1 MET A 12 2.978 3.960 4.371 1.00 0.83 H new ATOM 0 HE2 MET A 12 2.855 2.228 3.979 1.00 0.83 H new ATOM 0 HE3 MET A 12 1.753 2.950 5.175 1.00 0.83 H new ATOM 190 N VAL A 13 5.231 -2.718 8.267 1.00 0.91 N ATOM 191 CA VAL A 13 6.070 -3.939 8.206 1.00 1.08 C ATOM 192 C VAL A 13 5.328 -5.178 8.741 1.00 1.21 C ATOM 193 O VAL A 13 5.558 -6.287 8.255 1.00 1.34 O ATOM 194 CB VAL A 13 7.449 -3.804 8.907 1.00 1.16 C ATOM 195 CG1 VAL A 13 8.331 -2.730 8.251 1.00 1.11 C ATOM 196 CG2 VAL A 13 7.365 -3.525 10.412 1.00 1.16 C ATOM 0 H VAL A 13 5.498 -2.064 9.003 1.00 0.91 H new ATOM 0 HA VAL A 13 6.272 -4.073 7.143 1.00 1.08 H new ATOM 0 HB VAL A 13 7.905 -4.786 8.779 1.00 1.16 H new ATOM 0 HG11 VAL A 13 9.285 -2.672 8.776 1.00 1.11 H new ATOM 0 HG12 VAL A 13 8.506 -2.991 7.207 1.00 1.11 H new ATOM 0 HG13 VAL A 13 7.829 -1.764 8.304 1.00 1.11 H new ATOM 0 HG21 VAL A 13 8.371 -3.445 10.824 1.00 1.16 H new ATOM 0 HG22 VAL A 13 6.829 -2.591 10.580 1.00 1.16 H new ATOM 0 HG23 VAL A 13 6.835 -4.341 10.904 1.00 1.16 H new ATOM 206 N THR A 14 4.421 -5.005 9.715 1.00 1.23 N ATOM 207 CA THR A 14 3.681 -6.095 10.378 1.00 1.36 C ATOM 208 C THR A 14 2.703 -6.776 9.427 1.00 1.40 C ATOM 209 O THR A 14 2.470 -7.977 9.581 1.00 1.88 O ATOM 210 CB THR A 14 2.966 -5.571 11.628 1.00 1.41 C ATOM 211 OG1 THR A 14 3.956 -5.248 12.567 1.00 1.36 O ATOM 212 CG2 THR A 14 2.052 -6.585 12.316 1.00 1.88 C ATOM 0 H THR A 14 4.175 -4.082 10.073 1.00 1.23 H new ATOM 0 HA THR A 14 4.404 -6.851 10.685 1.00 1.36 H new ATOM 0 HB THR A 14 2.347 -4.736 11.300 1.00 1.41 H new ATOM 0 HG1 THR A 14 4.416 -4.429 12.289 1.00 1.36 H new ATOM 0 HG21 THR A 14 1.590 -6.125 13.189 1.00 1.88 H new ATOM 0 HG22 THR A 14 1.276 -6.905 11.621 1.00 1.88 H new ATOM 0 HG23 THR A 14 2.638 -7.449 12.629 1.00 1.88 H new ATOM 220 N THR A 15 2.116 -6.039 8.483 1.00 1.07 N ATOM 221 CA THR A 15 1.277 -6.567 7.400 1.00 0.99 C ATOM 222 C THR A 15 2.137 -7.128 6.286 1.00 0.97 C ATOM 223 O THR A 15 2.134 -8.344 6.117 1.00 1.21 O ATOM 224 CB THR A 15 0.335 -5.473 6.885 1.00 0.94 C ATOM 225 OG1 THR A 15 1.001 -4.237 6.851 1.00 1.20 O ATOM 226 CG2 THR A 15 -0.880 -5.363 7.800 1.00 1.14 C ATOM 0 H THR A 15 2.213 -5.024 8.448 1.00 1.07 H new ATOM 0 HA THR A 15 0.668 -7.384 7.788 1.00 0.99 H new ATOM 0 HB THR A 15 0.012 -5.736 5.878 1.00 0.94 H new ATOM 0 HG1 THR A 15 0.444 -3.578 6.387 1.00 1.20 H new ATOM 0 HG21 THR A 15 -1.546 -4.584 7.429 1.00 1.14 H new ATOM 0 HG22 THR A 15 -1.410 -6.315 7.817 1.00 1.14 H new ATOM 0 HG23 THR A 15 -0.554 -5.111 8.809 1.00 1.14 H new ATOM 234 N PHE A 16 2.936 -6.290 5.619 1.00 1.02 N ATOM 235 CA PHE A 16 3.828 -6.617 4.498 1.00 0.93 C ATOM 236 C PHE A 16 4.663 -7.891 4.735 1.00 0.84 C ATOM 237 O PHE A 16 4.652 -8.793 3.906 1.00 0.87 O ATOM 238 CB PHE A 16 4.693 -5.367 4.257 1.00 1.02 C ATOM 239 CG PHE A 16 5.565 -5.302 3.014 1.00 0.99 C ATOM 240 CD1 PHE A 16 6.895 -5.750 3.075 1.00 1.48 C ATOM 241 CD2 PHE A 16 5.115 -4.665 1.844 1.00 2.22 C ATOM 242 CE1 PHE A 16 7.752 -5.570 1.981 1.00 1.48 C ATOM 243 CE2 PHE A 16 6.001 -4.426 0.771 1.00 2.25 C ATOM 244 CZ PHE A 16 7.329 -4.874 0.834 1.00 1.06 C ATOM 0 H PHE A 16 2.981 -5.300 5.862 1.00 1.02 H new ATOM 0 HA PHE A 16 3.247 -6.861 3.609 1.00 0.93 H new ATOM 0 HB2 PHE A 16 4.026 -4.505 4.237 1.00 1.02 H new ATOM 0 HB3 PHE A 16 5.344 -5.246 5.122 1.00 1.02 H new ATOM 0 HD1 PHE A 16 7.259 -6.235 3.969 1.00 1.48 H new ATOM 0 HD2 PHE A 16 4.083 -4.356 1.765 1.00 2.22 H new ATOM 0 HE1 PHE A 16 8.754 -5.972 2.019 1.00 1.48 H new ATOM 0 HE2 PHE A 16 5.654 -3.895 -0.103 1.00 2.25 H new ATOM 0 HZ PHE A 16 8.013 -4.688 0.019 1.00 1.06 H new ATOM 254 N HIS A 17 5.298 -8.060 5.901 1.00 0.84 N ATOM 255 CA HIS A 17 6.127 -9.243 6.191 1.00 0.78 C ATOM 256 C HIS A 17 5.328 -10.569 6.345 1.00 0.85 C ATOM 257 O HIS A 17 5.914 -11.644 6.284 1.00 1.09 O ATOM 258 CB HIS A 17 7.033 -8.954 7.403 1.00 0.78 C ATOM 259 CG HIS A 17 8.194 -9.912 7.592 1.00 0.98 C ATOM 260 ND1 HIS A 17 8.116 -11.250 7.911 1.00 1.72 N ATOM 261 CD2 HIS A 17 9.527 -9.617 7.496 1.00 1.48 C ATOM 262 CE1 HIS A 17 9.361 -11.745 8.001 1.00 1.97 C ATOM 263 NE2 HIS A 17 10.261 -10.780 7.765 1.00 1.74 N ATOM 0 H HIS A 17 5.254 -7.388 6.667 1.00 0.84 H new ATOM 0 HA HIS A 17 6.749 -9.419 5.313 1.00 0.78 H new ATOM 0 HB2 HIS A 17 7.430 -7.944 7.305 1.00 0.78 H new ATOM 0 HB3 HIS A 17 6.421 -8.970 8.305 1.00 0.78 H new ATOM 0 HD1 HIS A 17 7.255 -11.777 8.055 1.00 1.72 H new ATOM 0 HD2 HIS A 17 9.943 -8.650 7.254 1.00 1.48 H new ATOM 0 HE1 HIS A 17 9.602 -12.772 8.230 1.00 1.97 H new ATOM 272 N LYS A 18 3.993 -10.557 6.476 1.00 0.86 N ATOM 273 CA LYS A 18 3.173 -11.783 6.310 1.00 0.97 C ATOM 274 C LYS A 18 3.105 -12.269 4.845 1.00 0.87 C ATOM 275 O LYS A 18 2.605 -13.359 4.555 1.00 0.99 O ATOM 276 CB LYS A 18 1.751 -11.563 6.855 1.00 1.30 C ATOM 277 CG LYS A 18 1.719 -11.268 8.359 1.00 1.67 C ATOM 278 CD LYS A 18 0.269 -11.127 8.841 1.00 2.54 C ATOM 279 CE LYS A 18 0.197 -10.926 10.357 1.00 3.83 C ATOM 280 NZ LYS A 18 0.602 -9.558 10.756 1.00 4.89 N ATOM 0 H LYS A 18 3.453 -9.720 6.695 1.00 0.86 H new ATOM 0 HA LYS A 18 3.669 -12.564 6.886 1.00 0.97 H new ATOM 0 HB2 LYS A 18 1.288 -10.735 6.319 1.00 1.30 H new ATOM 0 HB3 LYS A 18 1.150 -12.450 6.652 1.00 1.30 H new ATOM 0 HG2 LYS A 18 2.215 -12.071 8.905 1.00 1.67 H new ATOM 0 HG3 LYS A 18 2.270 -10.352 8.569 1.00 1.67 H new ATOM 0 HD2 LYS A 18 -0.202 -10.282 8.338 1.00 2.54 H new ATOM 0 HD3 LYS A 18 -0.295 -12.017 8.564 1.00 2.54 H new ATOM 0 HE2 LYS A 18 -0.820 -11.117 10.700 1.00 3.83 H new ATOM 0 HE3 LYS A 18 0.842 -11.653 10.850 1.00 3.83 H new ATOM 0 HZ1 LYS A 18 0.978 -9.576 11.725 1.00 4.89 H new ATOM 0 HZ2 LYS A 18 1.336 -9.210 10.106 1.00 4.89 H new ATOM 0 HZ3 LYS A 18 -0.223 -8.926 10.717 1.00 4.89 H new ATOM 294 N TYR A 19 3.570 -11.429 3.921 1.00 0.73 N ATOM 295 CA TYR A 19 3.622 -11.663 2.480 1.00 0.71 C ATOM 296 C TYR A 19 5.097 -11.762 2.012 1.00 0.88 C ATOM 297 O TYR A 19 5.435 -12.710 1.311 1.00 1.50 O ATOM 298 CB TYR A 19 2.772 -10.580 1.778 1.00 0.67 C ATOM 299 CG TYR A 19 1.295 -10.500 2.193 1.00 0.61 C ATOM 300 CD1 TYR A 19 0.926 -10.013 3.464 1.00 1.97 C ATOM 301 CD2 TYR A 19 0.261 -10.831 1.290 1.00 1.85 C ATOM 302 CE1 TYR A 19 -0.425 -9.873 3.833 1.00 1.95 C ATOM 303 CE2 TYR A 19 -1.090 -10.652 1.628 1.00 1.88 C ATOM 304 CZ TYR A 19 -1.443 -10.168 2.907 1.00 0.60 C ATOM 305 OH TYR A 19 -2.745 -9.939 3.231 1.00 0.77 O ATOM 0 H TYR A 19 3.942 -10.514 4.174 1.00 0.73 H new ATOM 0 HA TYR A 19 3.183 -12.621 2.203 1.00 0.71 H new ATOM 0 HB2 TYR A 19 3.233 -9.610 1.964 1.00 0.67 H new ATOM 0 HB3 TYR A 19 2.817 -10.754 0.703 1.00 0.67 H new ATOM 0 HD1 TYR A 19 1.697 -9.741 4.170 1.00 1.97 H new ATOM 0 HD2 TYR A 19 0.515 -11.230 0.319 1.00 1.85 H new ATOM 0 HE1 TYR A 19 -0.681 -9.539 4.828 1.00 1.95 H new ATOM 0 HE2 TYR A 19 -1.861 -10.885 0.908 1.00 1.88 H new ATOM 0 HH TYR A 19 -3.319 -10.196 2.480 1.00 0.77 H new ATOM 315 N SER A 20 5.999 -10.904 2.501 1.00 0.78 N ATOM 316 CA SER A 20 7.460 -11.007 2.282 1.00 0.98 C ATOM 317 C SER A 20 8.089 -12.250 2.924 1.00 1.04 C ATOM 318 O SER A 20 8.815 -12.986 2.268 1.00 1.44 O ATOM 319 CB SER A 20 8.192 -9.810 2.900 1.00 1.25 C ATOM 320 OG SER A 20 7.466 -8.619 2.721 1.00 1.72 O ATOM 0 H SER A 20 5.737 -10.101 3.072 1.00 0.78 H new ATOM 0 HA SER A 20 7.571 -11.052 1.199 1.00 0.98 H new ATOM 0 HB2 SER A 20 8.348 -9.987 3.964 1.00 1.25 H new ATOM 0 HB3 SER A 20 9.178 -9.709 2.445 1.00 1.25 H new ATOM 0 HG SER A 20 7.727 -8.201 1.874 1.00 1.72 H new ATOM 326 N GLY A 21 7.788 -12.510 4.206 1.00 1.15 N ATOM 327 CA GLY A 21 8.435 -13.558 5.015 1.00 1.34 C ATOM 328 C GLY A 21 8.075 -14.988 4.610 1.00 1.39 C ATOM 329 O GLY A 21 8.422 -15.930 5.316 1.00 1.89 O ATOM 0 H GLY A 21 7.076 -11.990 4.719 1.00 1.15 H new ATOM 0 HA2 GLY A 21 9.516 -13.436 4.946 1.00 1.34 H new ATOM 0 HA3 GLY A 21 8.163 -13.411 6.060 1.00 1.34 H new ATOM 332 N ARG A 22 7.379 -15.137 3.478 1.00 1.30 N ATOM 333 CA ARG A 22 7.170 -16.382 2.733 1.00 1.59 C ATOM 334 C ARG A 22 8.457 -16.857 2.031 1.00 2.12 C ATOM 335 O ARG A 22 8.504 -18.003 1.595 1.00 2.53 O ATOM 336 CB ARG A 22 6.055 -16.157 1.694 1.00 1.73 C ATOM 337 CG ARG A 22 4.718 -15.780 2.359 1.00 1.78 C ATOM 338 CD ARG A 22 3.620 -15.448 1.350 1.00 1.71 C ATOM 339 NE ARG A 22 2.435 -14.965 2.079 1.00 2.40 N ATOM 340 CZ ARG A 22 1.259 -14.625 1.570 1.00 3.15 C ATOM 341 NH1 ARG A 22 0.984 -14.699 0.289 1.00 3.22 N ATOM 342 NH2 ARG A 22 0.334 -14.171 2.379 1.00 4.55 N ATOM 0 H ARG A 22 6.919 -14.344 3.031 1.00 1.30 H new ATOM 0 HA ARG A 22 6.882 -17.162 3.438 1.00 1.59 H new ATOM 0 HB2 ARG A 22 6.354 -15.366 1.006 1.00 1.73 H new ATOM 0 HB3 ARG A 22 5.923 -17.062 1.101 1.00 1.73 H new ATOM 0 HG2 ARG A 22 4.387 -16.606 2.989 1.00 1.78 H new ATOM 0 HG3 ARG A 22 4.874 -14.922 3.013 1.00 1.78 H new ATOM 0 HD2 ARG A 22 3.968 -14.688 0.650 1.00 1.71 H new ATOM 0 HD3 ARG A 22 3.368 -16.331 0.763 1.00 1.71 H new ATOM 0 HE ARG A 22 2.530 -14.883 3.091 1.00 2.40 H new ATOM 0 HH11 ARG A 22 1.692 -15.031 -0.366 1.00 3.22 H new ATOM 0 HH12 ARG A 22 0.062 -14.425 -0.051 1.00 3.22 H new ATOM 0 HH21 ARG A 22 0.527 -14.086 3.377 1.00 4.55 H new ATOM 0 HH22 ARG A 22 -0.579 -13.903 2.011 1.00 4.55 H new ATOM 356 N GLU A 23 9.471 -15.991 1.951 1.00 2.47 N ATOM 357 CA GLU A 23 10.840 -16.258 1.505 1.00 3.33 C ATOM 358 C GLU A 23 11.815 -15.322 2.259 1.00 3.79 C ATOM 359 O GLU A 23 11.421 -14.568 3.158 1.00 4.57 O ATOM 360 CB GLU A 23 10.929 -16.103 -0.036 1.00 3.75 C ATOM 361 CG GLU A 23 11.148 -17.432 -0.779 1.00 4.87 C ATOM 362 CD GLU A 23 12.555 -18.027 -0.594 1.00 6.78 C ATOM 363 OE1 GLU A 23 13.262 -17.592 0.339 1.00 8.05 O ATOM 364 OE2 GLU A 23 12.908 -18.923 -1.385 1.00 7.46 O ATOM 0 H GLU A 23 9.347 -15.014 2.216 1.00 2.47 H new ATOM 0 HA GLU A 23 11.126 -17.284 1.738 1.00 3.33 H new ATOM 0 HB2 GLU A 23 10.011 -15.641 -0.399 1.00 3.75 H new ATOM 0 HB3 GLU A 23 11.746 -15.423 -0.277 1.00 3.75 H new ATOM 0 HG2 GLU A 23 10.410 -18.156 -0.433 1.00 4.87 H new ATOM 0 HG3 GLU A 23 10.967 -17.276 -1.843 1.00 4.87 H new ATOM 371 N GLY A 24 13.104 -15.365 1.911 1.00 4.09 N ATOM 372 CA GLY A 24 14.180 -14.604 2.551 1.00 4.71 C ATOM 373 C GLY A 24 14.222 -13.121 2.183 1.00 3.81 C ATOM 374 O GLY A 24 14.939 -12.370 2.841 1.00 4.78 O ATOM 0 H GLY A 24 13.439 -15.953 1.148 1.00 4.09 H new ATOM 0 HA2 GLY A 24 14.075 -14.693 3.632 1.00 4.71 H new ATOM 0 HA3 GLY A 24 15.135 -15.057 2.285 1.00 4.71 H new ATOM 377 N SER A 25 13.459 -12.661 1.198 1.00 2.35 N ATOM 378 CA SER A 25 13.465 -11.275 0.707 1.00 1.77 C ATOM 379 C SER A 25 12.596 -10.350 1.587 1.00 1.79 C ATOM 380 O SER A 25 11.570 -9.799 1.185 1.00 2.16 O ATOM 381 CB SER A 25 13.073 -11.279 -0.771 1.00 1.44 C ATOM 382 OG SER A 25 11.782 -11.833 -0.952 1.00 2.74 O ATOM 0 H SER A 25 12.797 -13.255 0.699 1.00 2.35 H new ATOM 0 HA SER A 25 14.467 -10.853 0.784 1.00 1.77 H new ATOM 0 HB2 SER A 25 13.093 -10.261 -1.159 1.00 1.44 H new ATOM 0 HB3 SER A 25 13.802 -11.853 -1.343 1.00 1.44 H new ATOM 0 HG SER A 25 11.180 -11.149 -1.312 1.00 2.74 H new ATOM 388 N LYS A 26 12.980 -10.177 2.858 1.00 1.68 N ATOM 389 CA LYS A 26 12.056 -9.748 3.935 1.00 1.54 C ATOM 390 C LYS A 26 11.613 -8.257 3.891 1.00 1.52 C ATOM 391 O LYS A 26 10.863 -7.788 4.753 1.00 1.57 O ATOM 392 CB LYS A 26 12.687 -10.190 5.269 1.00 1.67 C ATOM 393 CG LYS A 26 12.630 -11.724 5.433 1.00 1.35 C ATOM 394 CD LYS A 26 13.405 -12.262 6.651 1.00 1.79 C ATOM 395 CE LYS A 26 14.889 -11.855 6.695 1.00 2.23 C ATOM 396 NZ LYS A 26 15.686 -12.330 5.531 1.00 3.13 N ATOM 0 H LYS A 26 13.937 -10.328 3.176 1.00 1.68 H new ATOM 0 HA LYS A 26 11.094 -10.239 3.792 1.00 1.54 H new ATOM 0 HB2 LYS A 26 13.723 -9.855 5.312 1.00 1.67 H new ATOM 0 HB3 LYS A 26 12.163 -9.713 6.098 1.00 1.67 H new ATOM 0 HG2 LYS A 26 11.587 -12.030 5.517 1.00 1.35 H new ATOM 0 HG3 LYS A 26 13.027 -12.189 4.531 1.00 1.35 H new ATOM 0 HD2 LYS A 26 12.918 -11.910 7.560 1.00 1.79 H new ATOM 0 HD3 LYS A 26 13.340 -13.350 6.655 1.00 1.79 H new ATOM 0 HE2 LYS A 26 14.955 -10.768 6.747 1.00 2.23 H new ATOM 0 HE3 LYS A 26 15.334 -12.246 7.610 1.00 2.23 H new ATOM 0 HZ1 LYS A 26 16.406 -11.619 5.290 1.00 3.13 H new ATOM 0 HZ2 LYS A 26 16.153 -13.227 5.773 1.00 3.13 H new ATOM 0 HZ3 LYS A 26 15.057 -12.476 4.716 1.00 3.13 H new ATOM 410 N LEU A 27 12.024 -7.535 2.836 1.00 1.57 N ATOM 411 CA LEU A 27 11.616 -6.169 2.463 1.00 1.64 C ATOM 412 C LEU A 27 11.022 -6.044 1.042 1.00 1.32 C ATOM 413 O LEU A 27 10.710 -4.922 0.635 1.00 1.32 O ATOM 414 CB LEU A 27 12.828 -5.237 2.640 1.00 2.20 C ATOM 415 CG LEU A 27 13.052 -4.866 4.116 1.00 3.68 C ATOM 416 CD1 LEU A 27 14.525 -4.521 4.335 1.00 3.67 C ATOM 417 CD2 LEU A 27 12.153 -3.703 4.560 1.00 5.19 C ATOM 0 H LEU A 27 12.699 -7.917 2.173 1.00 1.57 H new ATOM 0 HA LEU A 27 10.800 -5.880 3.125 1.00 1.64 H new ATOM 0 HB2 LEU A 27 13.721 -5.724 2.248 1.00 2.20 H new ATOM 0 HB3 LEU A 27 12.677 -4.329 2.056 1.00 2.20 H new ATOM 0 HG LEU A 27 12.782 -5.727 4.728 1.00 3.68 H new ATOM 0 HD11 LEU A 27 14.686 -4.258 5.381 1.00 3.67 H new ATOM 0 HD12 LEU A 27 15.142 -5.382 4.079 1.00 3.67 H new ATOM 0 HD13 LEU A 27 14.799 -3.677 3.702 1.00 3.67 H new ATOM 0 HD21 LEU A 27 12.345 -3.475 5.608 1.00 5.19 H new ATOM 0 HD22 LEU A 27 12.368 -2.824 3.952 1.00 5.19 H new ATOM 0 HD23 LEU A 27 11.107 -3.983 4.435 1.00 5.19 H new ATOM 429 N THR A 28 10.819 -7.155 0.319 1.00 1.19 N ATOM 430 CA THR A 28 10.086 -7.201 -0.964 1.00 1.06 C ATOM 431 C THR A 28 8.755 -7.957 -0.854 1.00 1.38 C ATOM 432 O THR A 28 8.384 -8.423 0.225 1.00 2.00 O ATOM 433 CB THR A 28 10.949 -7.792 -2.099 1.00 1.05 C ATOM 434 OG1 THR A 28 11.016 -9.192 -1.989 1.00 1.52 O ATOM 435 CG2 THR A 28 12.372 -7.234 -2.146 1.00 1.08 C ATOM 0 H THR A 28 11.165 -8.068 0.612 1.00 1.19 H new ATOM 0 HA THR A 28 9.856 -6.165 -1.214 1.00 1.06 H new ATOM 0 HB THR A 28 10.454 -7.499 -3.025 1.00 1.05 H new ATOM 0 HG1 THR A 28 10.582 -9.602 -2.766 1.00 1.52 H new ATOM 0 HG21 THR A 28 12.917 -7.696 -2.969 1.00 1.08 H new ATOM 0 HG22 THR A 28 12.335 -6.155 -2.296 1.00 1.08 H new ATOM 0 HG23 THR A 28 12.880 -7.452 -1.206 1.00 1.08 H new ATOM 443 N LEU A 29 8.073 -8.089 -1.996 1.00 1.01 N ATOM 444 CA LEU A 29 7.036 -9.073 -2.361 1.00 0.98 C ATOM 445 C LEU A 29 6.711 -8.928 -3.856 1.00 0.86 C ATOM 446 O LEU A 29 7.024 -7.900 -4.455 1.00 0.88 O ATOM 447 CB LEU A 29 5.770 -9.016 -1.466 1.00 0.96 C ATOM 448 CG LEU A 29 4.769 -7.869 -1.736 1.00 0.87 C ATOM 449 CD1 LEU A 29 3.674 -7.896 -0.659 1.00 0.99 C ATOM 450 CD2 LEU A 29 5.422 -6.485 -1.736 1.00 0.87 C ATOM 0 H LEU A 29 8.247 -7.447 -2.769 1.00 1.01 H new ATOM 0 HA LEU A 29 7.441 -10.068 -2.176 1.00 0.98 H new ATOM 0 HB2 LEU A 29 5.238 -9.961 -1.572 1.00 0.96 H new ATOM 0 HB3 LEU A 29 6.093 -8.946 -0.427 1.00 0.96 H new ATOM 0 HG LEU A 29 4.358 -8.034 -2.732 1.00 0.87 H new ATOM 0 HD11 LEU A 29 2.964 -7.090 -0.842 1.00 0.99 H new ATOM 0 HD12 LEU A 29 3.154 -8.853 -0.693 1.00 0.99 H new ATOM 0 HD13 LEU A 29 4.127 -7.764 0.324 1.00 0.99 H new ATOM 0 HD21 LEU A 29 4.665 -5.726 -1.931 1.00 0.87 H new ATOM 0 HD22 LEU A 29 5.880 -6.299 -0.765 1.00 0.87 H new ATOM 0 HD23 LEU A 29 6.186 -6.443 -2.512 1.00 0.87 H new ATOM 462 N SER A 30 6.050 -9.901 -4.482 1.00 0.83 N ATOM 463 CA SER A 30 5.725 -9.798 -5.911 1.00 0.81 C ATOM 464 C SER A 30 4.599 -8.784 -6.206 1.00 0.68 C ATOM 465 O SER A 30 3.714 -8.545 -5.379 1.00 0.66 O ATOM 466 CB SER A 30 5.418 -11.172 -6.522 1.00 0.95 C ATOM 467 OG SER A 30 4.142 -11.665 -6.141 1.00 1.39 O ATOM 0 H SER A 30 5.731 -10.760 -4.033 1.00 0.83 H new ATOM 0 HA SER A 30 6.620 -9.408 -6.396 1.00 0.81 H new ATOM 0 HB2 SER A 30 5.467 -11.102 -7.609 1.00 0.95 H new ATOM 0 HB3 SER A 30 6.185 -11.882 -6.214 1.00 0.95 H new ATOM 0 HG SER A 30 3.992 -12.540 -6.556 1.00 1.39 H new ATOM 473 N ARG A 31 4.556 -8.207 -7.413 1.00 0.73 N ATOM 474 CA ARG A 31 3.534 -7.204 -7.760 1.00 0.74 C ATOM 475 C ARG A 31 2.126 -7.802 -7.743 1.00 0.79 C ATOM 476 O ARG A 31 1.180 -7.142 -7.304 1.00 0.87 O ATOM 477 CB ARG A 31 3.792 -6.490 -9.099 1.00 0.91 C ATOM 478 CG ARG A 31 5.256 -6.431 -9.572 1.00 1.75 C ATOM 479 CD ARG A 31 5.630 -5.109 -10.243 1.00 1.55 C ATOM 480 NE ARG A 31 6.982 -4.687 -9.838 1.00 3.10 N ATOM 481 CZ ARG A 31 7.393 -3.460 -9.548 1.00 3.26 C ATOM 482 NH1 ARG A 31 6.713 -2.361 -9.795 1.00 2.48 N ATOM 483 NH2 ARG A 31 8.533 -3.332 -8.921 1.00 4.99 N ATOM 0 H ARG A 31 5.213 -8.414 -8.165 1.00 0.73 H new ATOM 0 HA ARG A 31 3.608 -6.445 -6.981 1.00 0.74 H new ATOM 0 HB2 ARG A 31 3.204 -6.987 -9.870 1.00 0.91 H new ATOM 0 HB3 ARG A 31 3.417 -5.470 -9.020 1.00 0.91 H new ATOM 0 HG2 ARG A 31 5.912 -6.593 -8.717 1.00 1.75 H new ATOM 0 HG3 ARG A 31 5.436 -7.247 -10.271 1.00 1.75 H new ATOM 0 HD2 ARG A 31 5.587 -5.220 -11.326 1.00 1.55 H new ATOM 0 HD3 ARG A 31 4.907 -4.340 -9.972 1.00 1.55 H new ATOM 0 HE ARG A 31 7.684 -5.424 -9.773 1.00 3.10 H new ATOM 0 HH11 ARG A 31 5.798 -2.417 -10.242 1.00 2.48 H new ATOM 0 HH12 ARG A 31 7.101 -1.453 -9.540 1.00 2.48 H new ATOM 0 HH21 ARG A 31 9.074 -4.160 -8.672 1.00 4.99 H new ATOM 0 HH22 ARG A 31 8.882 -2.404 -8.681 1.00 4.99 H new ATOM 497 N LYS A 32 2.014 -9.077 -8.127 1.00 0.85 N ATOM 498 CA LYS A 32 0.828 -9.917 -7.963 1.00 1.01 C ATOM 499 C LYS A 32 0.384 -10.039 -6.494 1.00 0.96 C ATOM 500 O LYS A 32 -0.814 -9.994 -6.209 1.00 1.20 O ATOM 501 CB LYS A 32 1.181 -11.303 -8.542 1.00 1.22 C ATOM 502 CG LYS A 32 -0.035 -12.158 -8.945 1.00 1.69 C ATOM 503 CD LYS A 32 -0.756 -11.679 -10.214 1.00 2.13 C ATOM 504 CE LYS A 32 0.182 -11.725 -11.426 1.00 3.40 C ATOM 505 NZ LYS A 32 -0.430 -11.181 -12.656 1.00 4.43 N ATOM 0 H LYS A 32 2.782 -9.572 -8.580 1.00 0.85 H new ATOM 0 HA LYS A 32 -0.014 -9.465 -8.486 1.00 1.01 H new ATOM 0 HB2 LYS A 32 1.818 -11.166 -9.416 1.00 1.22 H new ATOM 0 HB3 LYS A 32 1.766 -11.852 -7.804 1.00 1.22 H new ATOM 0 HG2 LYS A 32 0.293 -13.187 -9.095 1.00 1.69 H new ATOM 0 HG3 LYS A 32 -0.747 -12.168 -8.119 1.00 1.69 H new ATOM 0 HD2 LYS A 32 -1.628 -12.306 -10.400 1.00 2.13 H new ATOM 0 HD3 LYS A 32 -1.119 -10.662 -10.069 1.00 2.13 H new ATOM 0 HE2 LYS A 32 1.087 -11.162 -11.198 1.00 3.40 H new ATOM 0 HE3 LYS A 32 0.485 -12.757 -11.604 1.00 3.40 H new ATOM 0 HZ1 LYS A 32 0.318 -10.876 -13.311 1.00 4.43 H new ATOM 0 HZ2 LYS A 32 -1.009 -11.916 -13.110 1.00 4.43 H new ATOM 0 HZ3 LYS A 32 -1.031 -10.367 -12.414 1.00 4.43 H new ATOM 519 N GLU A 33 1.338 -10.170 -5.566 1.00 0.77 N ATOM 520 CA GLU A 33 1.083 -10.276 -4.133 1.00 0.73 C ATOM 521 C GLU A 33 0.700 -8.911 -3.530 1.00 0.73 C ATOM 522 O GLU A 33 -0.324 -8.825 -2.853 1.00 0.87 O ATOM 523 CB GLU A 33 2.326 -10.878 -3.458 1.00 0.72 C ATOM 524 CG GLU A 33 2.110 -11.251 -1.996 1.00 1.39 C ATOM 525 CD GLU A 33 1.459 -12.624 -1.819 1.00 1.82 C ATOM 526 OE1 GLU A 33 2.221 -13.614 -1.799 1.00 2.58 O ATOM 527 OE2 GLU A 33 0.235 -12.702 -1.556 1.00 2.69 O ATOM 0 H GLU A 33 2.330 -10.206 -5.800 1.00 0.77 H new ATOM 0 HA GLU A 33 0.231 -10.933 -3.957 1.00 0.73 H new ATOM 0 HB2 GLU A 33 2.633 -11.767 -4.009 1.00 0.72 H new ATOM 0 HB3 GLU A 33 3.146 -10.163 -3.524 1.00 0.72 H new ATOM 0 HG2 GLU A 33 3.069 -11.241 -1.479 1.00 1.39 H new ATOM 0 HG3 GLU A 33 1.484 -10.495 -1.522 1.00 1.39 H new ATOM 534 N LEU A 34 1.439 -7.820 -3.812 1.00 0.66 N ATOM 535 CA LEU A 34 1.139 -6.486 -3.259 1.00 0.67 C ATOM 536 C LEU A 34 -0.282 -6.046 -3.607 1.00 0.70 C ATOM 537 O LEU A 34 -1.013 -5.534 -2.756 1.00 0.75 O ATOM 538 CB LEU A 34 2.139 -5.411 -3.748 1.00 0.66 C ATOM 539 CG LEU A 34 1.752 -3.989 -3.257 1.00 0.86 C ATOM 540 CD1 LEU A 34 1.686 -3.884 -1.731 1.00 1.27 C ATOM 541 CD2 LEU A 34 2.698 -2.895 -3.749 1.00 1.07 C ATOM 0 H LEU A 34 2.254 -7.838 -4.425 1.00 0.66 H new ATOM 0 HA LEU A 34 1.234 -6.578 -2.177 1.00 0.67 H new ATOM 0 HB2 LEU A 34 3.139 -5.658 -3.392 1.00 0.66 H new ATOM 0 HB3 LEU A 34 2.177 -5.420 -4.837 1.00 0.66 H new ATOM 0 HG LEU A 34 0.763 -3.832 -3.687 1.00 0.86 H new ATOM 0 HD11 LEU A 34 1.411 -2.868 -1.448 1.00 1.27 H new ATOM 0 HD12 LEU A 34 0.940 -4.581 -1.350 1.00 1.27 H new ATOM 0 HD13 LEU A 34 2.660 -4.128 -1.307 1.00 1.27 H new ATOM 0 HD21 LEU A 34 2.367 -1.929 -3.368 1.00 1.07 H new ATOM 0 HD22 LEU A 34 3.707 -3.099 -3.392 1.00 1.07 H new ATOM 0 HD23 LEU A 34 2.696 -2.875 -4.839 1.00 1.07 H new ATOM 553 N LYS A 35 -0.680 -6.254 -4.864 1.00 0.77 N ATOM 554 CA LYS A 35 -2.026 -5.885 -5.285 1.00 0.86 C ATOM 555 C LYS A 35 -3.110 -6.672 -4.543 1.00 0.96 C ATOM 556 O LYS A 35 -4.260 -6.252 -4.534 1.00 1.31 O ATOM 557 CB LYS A 35 -2.127 -5.857 -6.819 1.00 0.99 C ATOM 558 CG LYS A 35 -2.143 -7.140 -7.666 1.00 2.20 C ATOM 559 CD LYS A 35 -3.471 -7.885 -7.892 1.00 1.76 C ATOM 560 CE LYS A 35 -3.918 -8.759 -6.716 1.00 2.81 C ATOM 561 NZ LYS A 35 -4.973 -9.730 -7.081 1.00 3.62 N ATOM 0 H LYS A 35 -0.099 -6.668 -5.593 1.00 0.77 H new ATOM 0 HA LYS A 35 -2.231 -4.859 -4.978 1.00 0.86 H new ATOM 0 HB2 LYS A 35 -3.038 -5.310 -7.062 1.00 0.99 H new ATOM 0 HB3 LYS A 35 -1.290 -5.257 -7.176 1.00 0.99 H new ATOM 0 HG2 LYS A 35 -1.739 -6.888 -8.647 1.00 2.20 H new ATOM 0 HG3 LYS A 35 -1.449 -7.843 -7.206 1.00 2.20 H new ATOM 0 HD2 LYS A 35 -4.252 -7.154 -8.102 1.00 1.76 H new ATOM 0 HD3 LYS A 35 -3.375 -8.512 -8.778 1.00 1.76 H new ATOM 0 HE2 LYS A 35 -3.056 -9.299 -6.324 1.00 2.81 H new ATOM 0 HE3 LYS A 35 -4.284 -8.118 -5.914 1.00 2.81 H new ATOM 0 HZ1 LYS A 35 -5.399 -10.121 -6.217 1.00 3.62 H new ATOM 0 HZ2 LYS A 35 -5.706 -9.251 -7.642 1.00 3.62 H new ATOM 0 HZ3 LYS A 35 -4.557 -10.501 -7.641 1.00 3.62 H new ATOM 575 N GLU A 36 -2.769 -7.795 -3.910 1.00 0.75 N ATOM 576 CA GLU A 36 -3.634 -8.522 -2.991 1.00 0.74 C ATOM 577 C GLU A 36 -3.493 -8.078 -1.522 1.00 0.71 C ATOM 578 O GLU A 36 -4.511 -7.935 -0.845 1.00 0.79 O ATOM 579 CB GLU A 36 -3.337 -10.019 -3.155 1.00 0.86 C ATOM 580 CG GLU A 36 -4.515 -10.848 -2.665 1.00 1.11 C ATOM 581 CD GLU A 36 -5.772 -10.579 -3.499 1.00 1.69 C ATOM 582 OE1 GLU A 36 -5.725 -10.777 -4.731 1.00 2.62 O ATOM 583 OE2 GLU A 36 -6.785 -10.135 -2.916 1.00 2.31 O ATOM 0 H GLU A 36 -1.856 -8.234 -4.029 1.00 0.75 H new ATOM 0 HA GLU A 36 -4.671 -8.300 -3.245 1.00 0.74 H new ATOM 0 HB2 GLU A 36 -3.136 -10.244 -4.202 1.00 0.86 H new ATOM 0 HB3 GLU A 36 -2.440 -10.282 -2.594 1.00 0.86 H new ATOM 0 HG2 GLU A 36 -4.263 -11.907 -2.715 1.00 1.11 H new ATOM 0 HG3 GLU A 36 -4.714 -10.617 -1.619 1.00 1.11 H new ATOM 590 N LEU A 37 -2.275 -7.808 -1.030 1.00 0.68 N ATOM 591 CA LEU A 37 -2.004 -7.286 0.321 1.00 0.70 C ATOM 592 C LEU A 37 -2.887 -6.069 0.642 1.00 0.70 C ATOM 593 O LEU A 37 -3.636 -6.111 1.617 1.00 0.79 O ATOM 594 CB LEU A 37 -0.484 -7.003 0.425 1.00 0.72 C ATOM 595 CG LEU A 37 -0.026 -6.140 1.625 1.00 0.73 C ATOM 596 CD1 LEU A 37 -0.285 -6.758 2.994 1.00 1.17 C ATOM 597 CD2 LEU A 37 1.479 -5.845 1.540 1.00 1.30 C ATOM 0 H LEU A 37 -1.425 -7.950 -1.576 1.00 0.68 H new ATOM 0 HA LEU A 37 -2.268 -8.021 1.081 1.00 0.70 H new ATOM 0 HB2 LEU A 37 0.039 -7.958 0.472 1.00 0.72 H new ATOM 0 HB3 LEU A 37 -0.165 -6.509 -0.493 1.00 0.72 H new ATOM 0 HG LEU A 37 -0.629 -5.235 1.546 1.00 0.73 H new ATOM 0 HD11 LEU A 37 0.069 -6.081 3.772 1.00 1.17 H new ATOM 0 HD12 LEU A 37 -1.354 -6.928 3.120 1.00 1.17 H new ATOM 0 HD13 LEU A 37 0.245 -7.708 3.071 1.00 1.17 H new ATOM 0 HD21 LEU A 37 1.779 -5.237 2.393 1.00 1.30 H new ATOM 0 HD22 LEU A 37 2.035 -6.783 1.549 1.00 1.30 H new ATOM 0 HD23 LEU A 37 1.692 -5.306 0.617 1.00 1.30 H new ATOM 609 N ILE A 38 -2.870 -5.032 -0.205 1.00 0.66 N ATOM 610 CA ILE A 38 -3.572 -3.760 0.081 1.00 0.74 C ATOM 611 C ILE A 38 -5.082 -3.959 0.326 1.00 0.85 C ATOM 612 O ILE A 38 -5.621 -3.486 1.330 1.00 1.32 O ATOM 613 CB ILE A 38 -3.293 -2.730 -1.049 1.00 0.70 C ATOM 614 CG1 ILE A 38 -1.772 -2.452 -1.143 1.00 0.78 C ATOM 615 CG2 ILE A 38 -4.091 -1.432 -0.817 1.00 0.90 C ATOM 616 CD1 ILE A 38 -1.371 -1.531 -2.301 1.00 0.88 C ATOM 0 H ILE A 38 -2.378 -5.043 -1.098 1.00 0.66 H new ATOM 0 HA ILE A 38 -3.173 -3.361 1.014 1.00 0.74 H new ATOM 0 HB ILE A 38 -3.624 -3.148 -2.000 1.00 0.70 H new ATOM 0 HG12 ILE A 38 -1.437 -2.006 -0.206 1.00 0.78 H new ATOM 0 HG13 ILE A 38 -1.247 -3.401 -1.250 1.00 0.78 H new ATOM 0 HG21 ILE A 38 -3.880 -0.726 -1.620 1.00 0.90 H new ATOM 0 HG22 ILE A 38 -5.157 -1.658 -0.804 1.00 0.90 H new ATOM 0 HG23 ILE A 38 -3.801 -0.992 0.137 1.00 0.90 H new ATOM 0 HD11 ILE A 38 -0.290 -1.388 -2.295 1.00 0.88 H new ATOM 0 HD12 ILE A 38 -1.672 -1.983 -3.246 1.00 0.88 H new ATOM 0 HD13 ILE A 38 -1.865 -0.566 -2.187 1.00 0.88 H new ATOM 628 N LYS A 39 -5.776 -4.712 -0.531 1.00 0.75 N ATOM 629 CA LYS A 39 -7.205 -5.002 -0.410 1.00 0.86 C ATOM 630 C LYS A 39 -7.561 -5.946 0.762 1.00 0.90 C ATOM 631 O LYS A 39 -8.746 -6.158 1.028 1.00 1.08 O ATOM 632 CB LYS A 39 -7.679 -5.527 -1.778 1.00 0.91 C ATOM 633 CG LYS A 39 -7.763 -4.439 -2.867 1.00 1.22 C ATOM 634 CD LYS A 39 -8.937 -3.448 -2.716 1.00 1.70 C ATOM 635 CE LYS A 39 -10.273 -4.053 -3.180 1.00 2.15 C ATOM 636 NZ LYS A 39 -11.373 -3.061 -3.139 1.00 2.99 N ATOM 0 H LYS A 39 -5.348 -5.147 -1.348 1.00 0.75 H new ATOM 0 HA LYS A 39 -7.738 -4.087 -0.151 1.00 0.86 H new ATOM 0 HB2 LYS A 39 -6.998 -6.310 -2.112 1.00 0.91 H new ATOM 0 HB3 LYS A 39 -8.660 -5.986 -1.660 1.00 0.91 H new ATOM 0 HG2 LYS A 39 -6.830 -3.875 -2.868 1.00 1.22 H new ATOM 0 HG3 LYS A 39 -7.842 -4.926 -3.839 1.00 1.22 H new ATOM 0 HD2 LYS A 39 -9.021 -3.144 -1.673 1.00 1.70 H new ATOM 0 HD3 LYS A 39 -8.727 -2.548 -3.295 1.00 1.70 H new ATOM 0 HE2 LYS A 39 -10.166 -4.434 -4.196 1.00 2.15 H new ATOM 0 HE3 LYS A 39 -10.526 -4.903 -2.546 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 -12.071 -3.286 -3.876 1.00 2.99 H new ATOM 0 HZ2 LYS A 39 -11.833 -3.091 -2.206 1.00 2.99 H new ATOM 0 HZ3 LYS A 39 -10.988 -2.109 -3.305 1.00 2.99 H new ATOM 650 N LYS A 40 -6.575 -6.518 1.464 1.00 0.84 N ATOM 651 CA LYS A 40 -6.732 -7.165 2.773 1.00 1.07 C ATOM 652 C LYS A 40 -6.409 -6.224 3.954 1.00 1.24 C ATOM 653 O LYS A 40 -7.025 -6.365 5.010 1.00 1.50 O ATOM 654 CB LYS A 40 -5.816 -8.402 2.815 1.00 1.05 C ATOM 655 CG LYS A 40 -6.476 -9.686 2.325 1.00 1.46 C ATOM 656 CD LYS A 40 -6.981 -9.645 0.882 1.00 1.45 C ATOM 657 CE LYS A 40 -7.487 -11.035 0.522 1.00 1.73 C ATOM 658 NZ LYS A 40 -8.133 -11.037 -0.811 1.00 2.36 N ATOM 0 H LYS A 40 -5.613 -6.544 1.125 1.00 0.84 H new ATOM 0 HA LYS A 40 -7.778 -7.448 2.887 1.00 1.07 H new ATOM 0 HB2 LYS A 40 -4.932 -8.206 2.208 1.00 1.05 H new ATOM 0 HB3 LYS A 40 -5.473 -8.551 3.839 1.00 1.05 H new ATOM 0 HG2 LYS A 40 -5.761 -10.503 2.420 1.00 1.46 H new ATOM 0 HG3 LYS A 40 -7.315 -9.918 2.981 1.00 1.46 H new ATOM 0 HD2 LYS A 40 -7.779 -8.910 0.778 1.00 1.45 H new ATOM 0 HD3 LYS A 40 -6.180 -9.344 0.206 1.00 1.45 H new ATOM 0 HE2 LYS A 40 -6.657 -11.741 0.528 1.00 1.73 H new ATOM 0 HE3 LYS A 40 -8.199 -11.373 1.275 1.00 1.73 H new ATOM 0 HZ1 LYS A 40 -8.102 -11.997 -1.210 1.00 2.36 H new ATOM 0 HZ2 LYS A 40 -9.123 -10.732 -0.717 1.00 2.36 H new ATOM 0 HZ3 LYS A 40 -7.628 -10.383 -1.443 1.00 2.36 H new ATOM 672 N GLU A 41 -5.473 -5.291 3.796 1.00 1.30 N ATOM 673 CA GLU A 41 -5.063 -4.353 4.850 1.00 1.57 C ATOM 674 C GLU A 41 -6.075 -3.251 5.195 1.00 1.39 C ATOM 675 O GLU A 41 -6.061 -2.740 6.320 1.00 1.62 O ATOM 676 CB GLU A 41 -3.792 -3.624 4.415 1.00 2.45 C ATOM 677 CG GLU A 41 -2.534 -4.476 4.409 1.00 2.47 C ATOM 678 CD GLU A 41 -1.353 -3.545 4.180 1.00 4.41 C ATOM 679 OE1 GLU A 41 -1.147 -3.196 2.998 1.00 5.78 O ATOM 680 OE2 GLU A 41 -0.708 -3.176 5.191 1.00 5.10 O ATOM 0 H GLU A 41 -4.967 -5.160 2.920 1.00 1.30 H new ATOM 0 HA GLU A 41 -4.942 -4.983 5.731 1.00 1.57 H new ATOM 0 HB2 GLU A 41 -3.946 -3.223 3.413 1.00 2.45 H new ATOM 0 HB3 GLU A 41 -3.634 -2.774 5.078 1.00 2.45 H new ATOM 0 HG2 GLU A 41 -2.426 -5.007 5.355 1.00 2.47 H new ATOM 0 HG3 GLU A 41 -2.585 -5.230 3.624 1.00 2.47 H new ATOM 687 N LEU A 42 -6.892 -2.816 4.226 1.00 1.43 N ATOM 688 CA LEU A 42 -7.545 -1.510 4.270 1.00 1.47 C ATOM 689 C LEU A 42 -8.984 -1.589 3.734 1.00 1.72 C ATOM 690 O LEU A 42 -9.289 -2.263 2.748 1.00 1.94 O ATOM 691 CB LEU A 42 -6.647 -0.507 3.503 1.00 1.42 C ATOM 692 CG LEU A 42 -6.465 0.880 4.160 1.00 1.45 C ATOM 693 CD1 LEU A 42 -5.556 1.748 3.279 1.00 1.77 C ATOM 694 CD2 LEU A 42 -7.777 1.627 4.431 1.00 2.24 C ATOM 0 H LEU A 42 -7.115 -3.361 3.394 1.00 1.43 H new ATOM 0 HA LEU A 42 -7.652 -1.160 5.297 1.00 1.47 H new ATOM 0 HB2 LEU A 42 -5.663 -0.957 3.373 1.00 1.42 H new ATOM 0 HB3 LEU A 42 -7.066 -0.363 2.507 1.00 1.42 H new ATOM 0 HG LEU A 42 -6.013 0.696 5.135 1.00 1.45 H new ATOM 0 HD11 LEU A 42 -5.427 2.726 3.742 1.00 1.77 H new ATOM 0 HD12 LEU A 42 -4.584 1.266 3.173 1.00 1.77 H new ATOM 0 HD13 LEU A 42 -6.010 1.869 2.296 1.00 1.77 H new ATOM 0 HD21 LEU A 42 -7.559 2.590 4.893 1.00 2.24 H new ATOM 0 HD22 LEU A 42 -8.306 1.787 3.491 1.00 2.24 H new ATOM 0 HD23 LEU A 42 -8.400 1.036 5.102 1.00 2.24 H new ATOM 706 N CYS A 43 -9.883 -0.881 4.413 1.00 2.05 N ATOM 707 CA CYS A 43 -11.343 -0.888 4.250 1.00 2.48 C ATOM 708 C CYS A 43 -11.847 -0.159 2.987 1.00 2.26 C ATOM 709 O CYS A 43 -12.569 0.837 3.062 1.00 3.51 O ATOM 710 CB CYS A 43 -12.004 -0.377 5.549 1.00 3.52 C ATOM 711 SG CYS A 43 -11.174 1.093 6.239 1.00 5.93 S ATOM 0 H CYS A 43 -9.592 -0.237 5.149 1.00 2.05 H new ATOM 0 HA CYS A 43 -11.649 -1.920 4.080 1.00 2.48 H new ATOM 0 HB2 CYS A 43 -13.048 -0.138 5.349 1.00 3.52 H new ATOM 0 HB3 CYS A 43 -11.996 -1.174 6.292 1.00 3.52 H new ATOM 0 HG CYS A 43 -11.804 1.486 7.306 1.00 5.93 H new ATOM 717 N LEU A 44 -11.473 -0.665 1.812 1.00 1.81 N ATOM 718 CA LEU A 44 -11.977 -0.184 0.526 1.00 2.58 C ATOM 719 C LEU A 44 -12.944 -1.182 -0.116 1.00 3.18 C ATOM 720 O LEU A 44 -12.519 -2.073 -0.849 1.00 4.54 O ATOM 721 CB LEU A 44 -10.822 0.198 -0.418 1.00 3.14 C ATOM 722 CG LEU A 44 -9.983 1.372 0.124 1.00 2.77 C ATOM 723 CD1 LEU A 44 -8.717 0.880 0.821 1.00 3.03 C ATOM 724 CD2 LEU A 44 -9.585 2.326 -0.996 1.00 3.79 C ATOM 0 H LEU A 44 -10.803 -1.430 1.726 1.00 1.81 H new ATOM 0 HA LEU A 44 -12.550 0.723 0.716 1.00 2.58 H new ATOM 0 HB2 LEU A 44 -10.177 -0.668 -0.567 1.00 3.14 H new ATOM 0 HB3 LEU A 44 -11.227 0.465 -1.394 1.00 3.14 H new ATOM 0 HG LEU A 44 -10.609 1.897 0.846 1.00 2.77 H new ATOM 0 HD11 LEU A 44 -8.150 1.734 1.191 1.00 3.03 H new ATOM 0 HD12 LEU A 44 -8.989 0.236 1.657 1.00 3.03 H new ATOM 0 HD13 LEU A 44 -8.107 0.318 0.114 1.00 3.03 H new ATOM 0 HD21 LEU A 44 -8.994 3.144 -0.584 1.00 3.79 H new ATOM 0 HD22 LEU A 44 -8.994 1.789 -1.738 1.00 3.79 H new ATOM 0 HD23 LEU A 44 -10.482 2.728 -1.468 1.00 3.79 H new ATOM 736 N GLY A 45 -14.239 -0.988 0.138 1.00 2.99 N ATOM 737 CA GLY A 45 -15.347 -1.534 -0.653 1.00 3.55 C ATOM 738 C GLY A 45 -16.094 -0.393 -1.334 1.00 3.18 C ATOM 739 O GLY A 45 -15.794 -0.031 -2.467 1.00 3.60 O ATOM 0 H GLY A 45 -14.558 -0.427 0.928 1.00 2.99 H new ATOM 0 HA2 GLY A 45 -14.966 -2.231 -1.400 1.00 3.55 H new ATOM 0 HA3 GLY A 45 -16.025 -2.095 -0.010 1.00 3.55 H new ATOM 742 N GLU A 46 -17.002 0.231 -0.587 1.00 3.23 N ATOM 743 CA GLU A 46 -17.788 1.443 -0.873 1.00 3.55 C ATOM 744 C GLU A 46 -16.920 2.727 -0.942 1.00 2.87 C ATOM 745 O GLU A 46 -17.152 3.729 -0.267 1.00 3.51 O ATOM 746 CB GLU A 46 -18.940 1.554 0.151 1.00 4.81 C ATOM 747 CG GLU A 46 -18.507 1.536 1.630 1.00 5.06 C ATOM 748 CD GLU A 46 -18.329 0.116 2.175 1.00 5.59 C ATOM 749 OE1 GLU A 46 -19.339 -0.472 2.619 1.00 6.87 O ATOM 750 OE2 GLU A 46 -17.188 -0.393 2.074 1.00 5.32 O ATOM 0 H GLU A 46 -17.235 -0.136 0.336 1.00 3.23 H new ATOM 0 HA GLU A 46 -18.215 1.349 -1.871 1.00 3.55 H new ATOM 0 HB2 GLU A 46 -19.487 2.478 -0.040 1.00 4.81 H new ATOM 0 HB3 GLU A 46 -19.635 0.732 -0.018 1.00 4.81 H new ATOM 0 HG2 GLU A 46 -17.570 2.082 1.737 1.00 5.06 H new ATOM 0 HG3 GLU A 46 -19.252 2.060 2.229 1.00 5.06 H new ATOM 757 N MET A 47 -15.848 2.667 -1.730 1.00 2.49 N ATOM 758 CA MET A 47 -14.625 3.439 -1.518 1.00 2.34 C ATOM 759 C MET A 47 -13.816 3.619 -2.816 1.00 2.50 C ATOM 760 O MET A 47 -14.321 3.503 -3.932 1.00 3.44 O ATOM 761 CB MET A 47 -13.847 2.703 -0.411 1.00 2.95 C ATOM 762 CG MET A 47 -13.555 3.615 0.769 1.00 2.70 C ATOM 763 SD MET A 47 -12.199 4.786 0.506 1.00 3.41 S ATOM 764 CE MET A 47 -11.403 4.586 2.116 1.00 2.16 C ATOM 0 H MET A 47 -15.805 2.066 -2.553 1.00 2.49 H new ATOM 0 HA MET A 47 -14.848 4.460 -1.209 1.00 2.34 H new ATOM 0 HB2 MET A 47 -14.423 1.842 -0.072 1.00 2.95 H new ATOM 0 HB3 MET A 47 -12.910 2.321 -0.817 1.00 2.95 H new ATOM 0 HG2 MET A 47 -14.459 4.175 1.010 1.00 2.70 H new ATOM 0 HG3 MET A 47 -13.321 2.999 1.637 1.00 2.70 H new ATOM 0 HE1 MET A 47 -10.824 5.479 2.349 1.00 2.16 H new ATOM 0 HE2 MET A 47 -12.164 4.437 2.882 1.00 2.16 H new ATOM 0 HE3 MET A 47 -10.740 3.721 2.089 1.00 2.16 H new ATOM 774 N LYS A 48 -12.525 3.934 -2.709 1.00 2.31 N ATOM 775 CA LYS A 48 -11.623 4.018 -3.855 1.00 2.69 C ATOM 776 C LYS A 48 -11.321 2.650 -4.504 1.00 3.39 C ATOM 777 O LYS A 48 -10.568 1.839 -3.970 1.00 4.13 O ATOM 778 CB LYS A 48 -10.350 4.763 -3.425 1.00 2.67 C ATOM 779 CG LYS A 48 -10.333 6.192 -3.952 1.00 3.12 C ATOM 780 CD LYS A 48 -11.448 7.133 -3.483 1.00 3.35 C ATOM 781 CE LYS A 48 -11.607 7.267 -1.969 1.00 3.78 C ATOM 782 NZ LYS A 48 -12.250 8.563 -1.616 1.00 4.78 N ATOM 0 H LYS A 48 -12.074 4.139 -1.818 1.00 2.31 H new ATOM 0 HA LYS A 48 -12.122 4.580 -4.645 1.00 2.69 H new ATOM 0 HB2 LYS A 48 -10.284 4.775 -2.337 1.00 2.67 H new ATOM 0 HB3 LYS A 48 -9.473 4.229 -3.791 1.00 2.67 H new ATOM 0 HG2 LYS A 48 -9.378 6.640 -3.678 1.00 3.12 H new ATOM 0 HG3 LYS A 48 -10.365 6.149 -5.041 1.00 3.12 H new ATOM 0 HD2 LYS A 48 -11.262 8.123 -3.900 1.00 3.35 H new ATOM 0 HD3 LYS A 48 -12.393 6.784 -3.900 1.00 3.35 H new ATOM 0 HE2 LYS A 48 -12.209 6.442 -1.588 1.00 3.78 H new ATOM 0 HE3 LYS A 48 -10.631 7.198 -1.489 1.00 3.78 H new ATOM 0 HZ1 LYS A 48 -12.608 8.519 -0.641 1.00 4.78 H new ATOM 0 HZ2 LYS A 48 -11.552 9.330 -1.694 1.00 4.78 H new ATOM 0 HZ3 LYS A 48 -13.040 8.747 -2.267 1.00 4.78 H new ATOM 796 N GLU A 49 -11.890 2.451 -5.691 1.00 3.62 N ATOM 797 CA GLU A 49 -11.567 1.366 -6.630 1.00 4.39 C ATOM 798 C GLU A 49 -11.299 1.962 -8.026 1.00 3.53 C ATOM 799 O GLU A 49 -10.219 1.796 -8.585 1.00 3.99 O ATOM 800 CB GLU A 49 -12.694 0.313 -6.674 1.00 5.79 C ATOM 801 CG GLU A 49 -12.932 -0.371 -5.316 1.00 7.24 C ATOM 802 CD GLU A 49 -13.755 -1.660 -5.431 1.00 8.86 C ATOM 803 OE1 GLU A 49 -14.787 -1.647 -6.128 1.00 8.98 O ATOM 804 OE2 GLU A 49 -13.313 -2.664 -4.823 1.00 10.34 O ATOM 0 H GLU A 49 -12.622 3.066 -6.045 1.00 3.62 H new ATOM 0 HA GLU A 49 -10.668 0.854 -6.287 1.00 4.39 H new ATOM 0 HB2 GLU A 49 -13.618 0.791 -7.001 1.00 5.79 H new ATOM 0 HB3 GLU A 49 -12.447 -0.445 -7.418 1.00 5.79 H new ATOM 0 HG2 GLU A 49 -11.970 -0.600 -4.857 1.00 7.24 H new ATOM 0 HG3 GLU A 49 -13.445 0.323 -4.651 1.00 7.24 H new ATOM 811 N SER A 50 -12.227 2.750 -8.568 1.00 2.84 N ATOM 812 CA SER A 50 -12.041 3.454 -9.844 1.00 2.34 C ATOM 813 C SER A 50 -10.783 4.354 -9.868 1.00 2.03 C ATOM 814 O SER A 50 -10.542 5.114 -8.931 1.00 2.22 O ATOM 815 CB SER A 50 -13.286 4.309 -10.140 1.00 2.66 C ATOM 816 OG SER A 50 -14.483 3.579 -9.907 1.00 3.96 O ATOM 0 H SER A 50 -13.135 2.921 -8.135 1.00 2.84 H new ATOM 0 HA SER A 50 -11.899 2.691 -10.610 1.00 2.34 H new ATOM 0 HB2 SER A 50 -13.274 5.201 -9.514 1.00 2.66 H new ATOM 0 HB3 SER A 50 -13.260 4.647 -11.176 1.00 2.66 H new ATOM 0 HG SER A 50 -15.257 4.148 -10.102 1.00 3.96 H new ATOM 822 N SER A 51 -9.975 4.288 -10.933 1.00 2.68 N ATOM 823 CA SER A 51 -8.724 5.056 -11.187 1.00 2.79 C ATOM 824 C SER A 51 -7.527 4.599 -10.342 1.00 2.36 C ATOM 825 O SER A 51 -6.438 4.470 -10.898 1.00 2.75 O ATOM 826 CB SER A 51 -8.921 6.588 -11.110 1.00 3.40 C ATOM 827 OG SER A 51 -9.122 7.088 -9.801 1.00 3.08 O ATOM 0 H SER A 51 -10.183 3.653 -11.704 1.00 2.68 H new ATOM 0 HA SER A 51 -8.473 4.818 -12.221 1.00 2.79 H new ATOM 0 HB2 SER A 51 -8.047 7.076 -11.542 1.00 3.40 H new ATOM 0 HB3 SER A 51 -9.777 6.863 -11.726 1.00 3.40 H new ATOM 0 HG SER A 51 -9.357 6.349 -9.201 1.00 3.08 H new ATOM 833 N ILE A 52 -7.721 4.213 -9.071 1.00 1.89 N ATOM 834 CA ILE A 52 -6.706 3.404 -8.364 1.00 1.82 C ATOM 835 C ILE A 52 -6.578 1.998 -8.981 1.00 1.50 C ATOM 836 O ILE A 52 -5.563 1.330 -8.807 1.00 1.51 O ATOM 837 CB ILE A 52 -6.853 3.459 -6.820 1.00 2.11 C ATOM 838 CG1 ILE A 52 -7.993 2.645 -6.173 1.00 2.08 C ATOM 839 CG2 ILE A 52 -6.995 4.932 -6.374 1.00 2.80 C ATOM 840 CD1 ILE A 52 -7.804 1.121 -6.201 1.00 2.15 C ATOM 0 H ILE A 52 -8.549 4.439 -8.520 1.00 1.89 H new ATOM 0 HA ILE A 52 -5.731 3.864 -8.526 1.00 1.82 H new ATOM 0 HB ILE A 52 -5.942 2.976 -6.465 1.00 2.11 H new ATOM 0 HG12 ILE A 52 -8.102 2.963 -5.136 1.00 2.08 H new ATOM 0 HG13 ILE A 52 -8.926 2.889 -6.681 1.00 2.08 H new ATOM 0 HG21 ILE A 52 -7.099 4.976 -5.290 1.00 2.80 H new ATOM 0 HG22 ILE A 52 -6.109 5.491 -6.677 1.00 2.80 H new ATOM 0 HG23 ILE A 52 -7.877 5.370 -6.841 1.00 2.80 H new ATOM 0 HD11 ILE A 52 -8.657 0.640 -5.723 1.00 2.15 H new ATOM 0 HD12 ILE A 52 -7.729 0.783 -7.234 1.00 2.15 H new ATOM 0 HD13 ILE A 52 -6.892 0.858 -5.666 1.00 2.15 H new ATOM 852 N ASP A 53 -7.573 1.605 -9.771 1.00 1.43 N ATOM 853 CA ASP A 53 -7.562 0.489 -10.705 1.00 1.45 C ATOM 854 C ASP A 53 -6.407 0.535 -11.728 1.00 1.47 C ATOM 855 O ASP A 53 -5.814 -0.516 -11.961 1.00 1.48 O ATOM 856 CB ASP A 53 -8.914 0.458 -11.424 1.00 1.75 C ATOM 857 CG ASP A 53 -8.994 -0.733 -12.371 1.00 2.65 C ATOM 858 OD1 ASP A 53 -8.928 -1.893 -11.895 1.00 3.27 O ATOM 859 OD2 ASP A 53 -9.098 -0.518 -13.601 1.00 3.81 O ATOM 0 H ASP A 53 -8.469 2.093 -9.774 1.00 1.43 H new ATOM 0 HA ASP A 53 -7.395 -0.422 -10.130 1.00 1.45 H new ATOM 0 HB2 ASP A 53 -9.719 0.401 -10.692 1.00 1.75 H new ATOM 0 HB3 ASP A 53 -9.056 1.383 -11.983 1.00 1.75 H new ATOM 864 N ASP A 54 -6.031 1.690 -12.309 1.00 1.62 N ATOM 865 CA ASP A 54 -4.807 1.698 -13.131 1.00 1.78 C ATOM 866 C ASP A 54 -3.566 1.604 -12.258 1.00 1.44 C ATOM 867 O ASP A 54 -2.616 0.951 -12.663 1.00 1.49 O ATOM 868 CB ASP A 54 -4.628 2.877 -14.090 1.00 2.33 C ATOM 869 CG ASP A 54 -3.321 2.631 -14.905 1.00 2.72 C ATOM 870 OD1 ASP A 54 -3.294 1.762 -15.816 1.00 3.57 O ATOM 871 OD2 ASP A 54 -2.260 3.179 -14.525 1.00 3.16 O ATOM 0 H ASP A 54 -6.523 2.580 -12.233 1.00 1.62 H new ATOM 0 HA ASP A 54 -4.936 0.819 -13.762 1.00 1.78 H new ATOM 0 HB2 ASP A 54 -5.485 2.960 -14.758 1.00 2.33 H new ATOM 0 HB3 ASP A 54 -4.563 3.814 -13.537 1.00 2.33 H new ATOM 876 N LEU A 55 -3.564 2.185 -11.059 1.00 1.25 N ATOM 877 CA LEU A 55 -2.447 1.988 -10.127 1.00 1.06 C ATOM 878 C LEU A 55 -2.246 0.483 -9.880 1.00 1.08 C ATOM 879 O LEU A 55 -1.126 -0.006 -10.023 1.00 1.15 O ATOM 880 CB LEU A 55 -2.627 2.801 -8.830 1.00 0.96 C ATOM 881 CG LEU A 55 -2.901 4.305 -9.020 1.00 1.08 C ATOM 882 CD1 LEU A 55 -3.105 4.949 -7.642 1.00 1.20 C ATOM 883 CD2 LEU A 55 -1.752 5.016 -9.753 1.00 1.15 C ATOM 0 H LEU A 55 -4.310 2.788 -10.711 1.00 1.25 H new ATOM 0 HA LEU A 55 -1.533 2.376 -10.576 1.00 1.06 H new ATOM 0 HB2 LEU A 55 -3.451 2.369 -8.263 1.00 0.96 H new ATOM 0 HB3 LEU A 55 -1.728 2.687 -8.223 1.00 0.96 H new ATOM 0 HG LEU A 55 -3.795 4.411 -9.634 1.00 1.08 H new ATOM 0 HD11 LEU A 55 -3.300 6.015 -7.764 1.00 1.20 H new ATOM 0 HD12 LEU A 55 -3.953 4.480 -7.143 1.00 1.20 H new ATOM 0 HD13 LEU A 55 -2.207 4.811 -7.039 1.00 1.20 H new ATOM 0 HD21 LEU A 55 -1.990 6.074 -9.864 1.00 1.15 H new ATOM 0 HD22 LEU A 55 -0.832 4.910 -9.178 1.00 1.15 H new ATOM 0 HD23 LEU A 55 -1.617 4.569 -10.738 1.00 1.15 H new ATOM 895 N MET A 56 -3.316 -0.284 -9.642 1.00 1.13 N ATOM 896 CA MET A 56 -3.269 -1.748 -9.537 1.00 1.25 C ATOM 897 C MET A 56 -2.800 -2.433 -10.824 1.00 1.40 C ATOM 898 O MET A 56 -1.908 -3.279 -10.749 1.00 1.59 O ATOM 899 CB MET A 56 -4.636 -2.293 -9.115 1.00 1.35 C ATOM 900 CG MET A 56 -4.968 -1.925 -7.666 1.00 1.36 C ATOM 901 SD MET A 56 -6.365 -2.855 -6.990 1.00 1.88 S ATOM 902 CE MET A 56 -5.503 -4.409 -6.660 1.00 2.42 C ATOM 0 H MET A 56 -4.253 0.100 -9.515 1.00 1.13 H new ATOM 0 HA MET A 56 -2.527 -1.980 -8.774 1.00 1.25 H new ATOM 0 HB2 MET A 56 -5.406 -1.897 -9.777 1.00 1.35 H new ATOM 0 HB3 MET A 56 -4.646 -3.377 -9.227 1.00 1.35 H new ATOM 0 HG2 MET A 56 -4.090 -2.100 -7.044 1.00 1.36 H new ATOM 0 HG3 MET A 56 -5.190 -0.859 -7.611 1.00 1.36 H new ATOM 0 HE1 MET A 56 -6.177 -5.098 -6.152 1.00 2.42 H new ATOM 0 HE2 MET A 56 -5.175 -4.850 -7.601 1.00 2.42 H new ATOM 0 HE3 MET A 56 -4.636 -4.217 -6.028 1.00 2.42 H new ATOM 912 N LYS A 57 -3.319 -2.070 -12.004 1.00 1.44 N ATOM 913 CA LYS A 57 -2.765 -2.559 -13.281 1.00 1.70 C ATOM 914 C LYS A 57 -1.299 -2.155 -13.462 1.00 1.70 C ATOM 915 O LYS A 57 -0.572 -2.824 -14.170 1.00 1.91 O ATOM 916 CB LYS A 57 -3.563 -2.042 -14.496 1.00 2.04 C ATOM 917 CG LYS A 57 -4.743 -2.919 -14.927 1.00 2.01 C ATOM 918 CD LYS A 57 -6.020 -2.633 -14.143 1.00 2.31 C ATOM 919 CE LYS A 57 -7.146 -3.501 -14.718 1.00 3.06 C ATOM 920 NZ LYS A 57 -8.468 -3.066 -14.225 1.00 4.01 N ATOM 0 H LYS A 57 -4.117 -1.443 -12.105 1.00 1.44 H new ATOM 0 HA LYS A 57 -2.840 -3.645 -13.234 1.00 1.70 H new ATOM 0 HB2 LYS A 57 -3.938 -1.045 -14.266 1.00 2.04 H new ATOM 0 HB3 LYS A 57 -2.881 -1.939 -15.340 1.00 2.04 H new ATOM 0 HG2 LYS A 57 -4.934 -2.765 -15.989 1.00 2.01 H new ATOM 0 HG3 LYS A 57 -4.474 -3.968 -14.801 1.00 2.01 H new ATOM 0 HD2 LYS A 57 -5.873 -2.854 -13.086 1.00 2.31 H new ATOM 0 HD3 LYS A 57 -6.281 -1.577 -14.215 1.00 2.31 H new ATOM 0 HE2 LYS A 57 -7.127 -3.449 -15.807 1.00 3.06 H new ATOM 0 HE3 LYS A 57 -6.979 -4.543 -14.445 1.00 3.06 H new ATOM 0 HZ1 LYS A 57 -9.206 -3.684 -14.619 1.00 4.01 H new ATOM 0 HZ2 LYS A 57 -8.487 -3.123 -13.187 1.00 4.01 H new ATOM 0 HZ3 LYS A 57 -8.643 -2.085 -14.522 1.00 4.01 H new ATOM 934 N SER A 58 -0.874 -1.037 -12.892 1.00 1.50 N ATOM 935 CA SER A 58 0.496 -0.508 -12.925 1.00 1.51 C ATOM 936 C SER A 58 1.448 -1.209 -11.952 1.00 1.56 C ATOM 937 O SER A 58 2.647 -1.238 -12.222 1.00 1.84 O ATOM 938 CB SER A 58 0.496 1.017 -12.797 1.00 1.36 C ATOM 939 OG SER A 58 0.018 1.562 -14.021 1.00 1.60 O ATOM 0 H SER A 58 -1.505 -0.436 -12.363 1.00 1.50 H new ATOM 0 HA SER A 58 0.907 -0.744 -13.906 1.00 1.51 H new ATOM 0 HB2 SER A 58 -0.138 1.330 -11.967 1.00 1.36 H new ATOM 0 HB3 SER A 58 1.501 1.381 -12.585 1.00 1.36 H new ATOM 0 HG SER A 58 -0.799 2.076 -13.853 1.00 1.60 H new ATOM 945 N LEU A 59 0.939 -1.876 -10.905 1.00 1.42 N ATOM 946 CA LEU A 59 1.692 -2.949 -10.245 1.00 1.49 C ATOM 947 C LEU A 59 1.745 -4.183 -11.152 1.00 1.65 C ATOM 948 O LEU A 59 2.819 -4.717 -11.440 1.00 1.80 O ATOM 949 CB LEU A 59 1.054 -3.293 -8.887 1.00 1.37 C ATOM 950 CG LEU A 59 0.980 -2.125 -7.891 1.00 1.24 C ATOM 951 CD1 LEU A 59 0.367 -2.641 -6.582 1.00 1.21 C ATOM 952 CD2 LEU A 59 2.353 -1.474 -7.660 1.00 1.44 C ATOM 0 H LEU A 59 0.020 -1.693 -10.502 1.00 1.42 H new ATOM 0 HA LEU A 59 2.712 -2.609 -10.063 1.00 1.49 H new ATOM 0 HB2 LEU A 59 0.045 -3.667 -9.061 1.00 1.37 H new ATOM 0 HB3 LEU A 59 1.621 -4.105 -8.431 1.00 1.37 H new ATOM 0 HG LEU A 59 0.347 -1.340 -8.305 1.00 1.24 H new ATOM 0 HD11 LEU A 59 0.306 -1.825 -5.862 1.00 1.21 H new ATOM 0 HD12 LEU A 59 -0.633 -3.028 -6.776 1.00 1.21 H new ATOM 0 HD13 LEU A 59 0.992 -3.437 -6.177 1.00 1.21 H new ATOM 0 HD21 LEU A 59 2.252 -0.654 -6.949 1.00 1.44 H new ATOM 0 HD22 LEU A 59 3.045 -2.216 -7.262 1.00 1.44 H new ATOM 0 HD23 LEU A 59 2.737 -1.090 -8.605 1.00 1.44 H new ATOM 964 N ASP A 60 0.581 -4.618 -11.635 1.00 1.66 N ATOM 965 CA ASP A 60 0.389 -5.826 -12.442 1.00 1.86 C ATOM 966 C ASP A 60 0.801 -5.650 -13.935 1.00 1.71 C ATOM 967 O ASP A 60 0.446 -6.460 -14.783 1.00 1.56 O ATOM 968 CB ASP A 60 -1.058 -6.352 -12.232 1.00 2.10 C ATOM 969 CG ASP A 60 -1.142 -7.860 -11.912 1.00 2.88 C ATOM 970 OD1 ASP A 60 -0.653 -8.257 -10.832 1.00 4.12 O ATOM 971 OD2 ASP A 60 -1.698 -8.650 -12.708 1.00 2.99 O ATOM 0 H ASP A 60 -0.292 -4.118 -11.468 1.00 1.66 H new ATOM 0 HA ASP A 60 1.078 -6.595 -12.093 1.00 1.86 H new ATOM 0 HB2 ASP A 60 -1.522 -5.793 -11.419 1.00 2.10 H new ATOM 0 HB3 ASP A 60 -1.640 -6.150 -13.131 1.00 2.10 H new ATOM 976 N LYS A 61 1.539 -4.586 -14.296 1.00 1.92 N ATOM 977 CA LYS A 61 1.782 -4.199 -15.701 1.00 1.66 C ATOM 978 C LYS A 61 2.724 -5.176 -16.430 1.00 1.51 C ATOM 979 O LYS A 61 2.620 -5.344 -17.644 1.00 1.59 O ATOM 980 CB LYS A 61 2.273 -2.732 -15.730 1.00 1.87 C ATOM 981 CG LYS A 61 1.978 -1.900 -17.003 1.00 1.98 C ATOM 982 CD LYS A 61 0.501 -1.681 -17.421 1.00 1.94 C ATOM 983 CE LYS A 61 -0.448 -0.904 -16.474 1.00 2.67 C ATOM 984 NZ LYS A 61 -0.529 0.576 -16.640 1.00 3.65 N ATOM 0 H LYS A 61 1.986 -3.966 -13.621 1.00 1.92 H new ATOM 0 HA LYS A 61 0.849 -4.262 -16.261 1.00 1.66 H new ATOM 0 HB2 LYS A 61 1.830 -2.213 -14.880 1.00 1.87 H new ATOM 0 HB3 LYS A 61 3.352 -2.736 -15.574 1.00 1.87 H new ATOM 0 HG2 LYS A 61 2.433 -0.919 -16.870 1.00 1.98 H new ATOM 0 HG3 LYS A 61 2.491 -2.379 -17.837 1.00 1.98 H new ATOM 0 HD2 LYS A 61 0.505 -1.161 -18.379 1.00 1.94 H new ATOM 0 HD3 LYS A 61 0.060 -2.663 -17.593 1.00 1.94 H new ATOM 0 HE2 LYS A 61 -1.452 -1.311 -16.596 1.00 2.67 H new ATOM 0 HE3 LYS A 61 -0.143 -1.111 -15.448 1.00 2.67 H new ATOM 0 HZ1 LYS A 61 -0.287 1.040 -15.741 1.00 3.65 H new ATOM 0 HZ2 LYS A 61 0.139 0.880 -17.377 1.00 3.65 H new ATOM 0 HZ3 LYS A 61 -1.495 0.842 -16.918 1.00 3.65 H new ATOM 998 N ASN A 62 3.600 -5.848 -15.674 1.00 1.67 N ATOM 999 CA ASN A 62 4.205 -7.147 -16.039 1.00 1.89 C ATOM 1000 C ASN A 62 3.996 -8.193 -14.926 1.00 1.86 C ATOM 1001 O ASN A 62 3.942 -9.389 -15.192 1.00 2.79 O ATOM 1002 CB ASN A 62 5.716 -7.044 -16.312 1.00 2.68 C ATOM 1003 CG ASN A 62 6.188 -5.702 -16.843 1.00 2.35 C ATOM 1004 OD1 ASN A 62 6.295 -5.483 -18.037 1.00 3.22 O ATOM 1005 ND2 ASN A 62 6.518 -4.761 -15.976 1.00 2.52 N ATOM 0 H ASN A 62 3.919 -5.501 -14.770 1.00 1.67 H new ATOM 0 HA ASN A 62 3.700 -7.456 -16.954 1.00 1.89 H new ATOM 0 HB2 ASN A 62 6.251 -7.259 -15.387 1.00 2.68 H new ATOM 0 HB3 ASN A 62 5.993 -7.818 -17.028 1.00 2.68 H new ATOM 0 HD21 ASN A 62 6.859 -3.859 -16.308 1.00 2.52 H new ATOM 0 HD22 ASN A 62 6.431 -4.937 -14.975 1.00 2.52 H new ATOM 1012 N SER A 63 3.896 -7.746 -13.668 1.00 1.42 N ATOM 1013 CA SER A 63 3.170 -8.368 -12.538 1.00 1.25 C ATOM 1014 C SER A 63 3.923 -9.401 -11.705 1.00 1.07 C ATOM 1015 O SER A 63 3.884 -9.349 -10.476 1.00 1.23 O ATOM 1016 CB SER A 63 1.831 -8.977 -12.955 1.00 1.37 C ATOM 1017 OG SER A 63 1.905 -10.156 -13.730 1.00 2.47 O ATOM 0 H SER A 63 4.351 -6.878 -13.386 1.00 1.42 H new ATOM 0 HA SER A 63 3.027 -7.503 -11.891 1.00 1.25 H new ATOM 0 HB2 SER A 63 1.256 -9.192 -12.055 1.00 1.37 H new ATOM 0 HB3 SER A 63 1.273 -8.229 -13.519 1.00 1.37 H new ATOM 0 HG SER A 63 2.799 -10.233 -14.124 1.00 2.47 H new ATOM 1023 N ASP A 64 4.630 -10.322 -12.349 1.00 1.11 N ATOM 1024 CA ASP A 64 5.192 -11.511 -11.709 1.00 1.22 C ATOM 1025 C ASP A 64 6.676 -11.249 -11.452 1.00 1.22 C ATOM 1026 O ASP A 64 7.580 -12.005 -11.800 1.00 1.54 O ATOM 1027 CB ASP A 64 4.823 -12.763 -12.527 1.00 1.68 C ATOM 1028 CG ASP A 64 3.312 -13.065 -12.439 1.00 2.46 C ATOM 1029 OD1 ASP A 64 2.788 -13.080 -11.299 1.00 3.40 O ATOM 1030 OD2 ASP A 64 2.664 -13.263 -13.492 1.00 3.07 O ATOM 0 H ASP A 64 4.834 -10.265 -13.347 1.00 1.11 H new ATOM 0 HA ASP A 64 4.767 -11.721 -10.728 1.00 1.22 H new ATOM 0 HB2 ASP A 64 5.107 -12.616 -13.569 1.00 1.68 H new ATOM 0 HB3 ASP A 64 5.389 -13.619 -12.161 1.00 1.68 H new ATOM 1035 N GLN A 65 6.903 -10.061 -10.891 1.00 1.21 N ATOM 1036 CA GLN A 65 8.185 -9.451 -10.585 1.00 1.19 C ATOM 1037 C GLN A 65 8.141 -8.985 -9.130 1.00 1.00 C ATOM 1038 O GLN A 65 7.052 -8.753 -8.616 1.00 0.96 O ATOM 1039 CB GLN A 65 8.403 -8.205 -11.476 1.00 1.27 C ATOM 1040 CG GLN A 65 7.440 -7.974 -12.655 1.00 1.65 C ATOM 1041 CD GLN A 65 7.621 -6.600 -13.294 1.00 1.98 C ATOM 1042 OE1 GLN A 65 6.700 -5.801 -13.364 1.00 2.64 O ATOM 1043 NE2 GLN A 65 8.781 -6.281 -13.823 1.00 2.56 N ATOM 0 H GLN A 65 6.128 -9.456 -10.619 1.00 1.21 H new ATOM 0 HA GLN A 65 8.987 -10.169 -10.757 1.00 1.19 H new ATOM 0 HB2 GLN A 65 8.360 -7.325 -10.834 1.00 1.27 H new ATOM 0 HB3 GLN A 65 9.415 -8.257 -11.878 1.00 1.27 H new ATOM 0 HG2 GLN A 65 7.600 -8.746 -13.408 1.00 1.65 H new ATOM 0 HG3 GLN A 65 6.412 -8.077 -12.307 1.00 1.65 H new ATOM 0 HE21 GLN A 65 9.561 -6.936 -13.774 1.00 2.56 H new ATOM 0 HE22 GLN A 65 8.901 -5.378 -14.283 1.00 2.56 H new ATOM 1052 N GLU A 66 9.290 -8.742 -8.502 1.00 0.95 N ATOM 1053 CA GLU A 66 9.317 -8.170 -7.158 1.00 0.84 C ATOM 1054 C GLU A 66 9.043 -6.658 -7.138 1.00 0.86 C ATOM 1055 O GLU A 66 9.168 -5.951 -8.145 1.00 1.07 O ATOM 1056 CB GLU A 66 10.626 -8.513 -6.425 1.00 0.87 C ATOM 1057 CG GLU A 66 10.769 -10.011 -6.097 1.00 1.04 C ATOM 1058 CD GLU A 66 9.661 -10.504 -5.162 1.00 2.90 C ATOM 1059 OE1 GLU A 66 9.631 -9.990 -4.023 1.00 3.96 O ATOM 1060 OE2 GLU A 66 8.809 -11.316 -5.586 1.00 4.25 O ATOM 0 H GLU A 66 10.210 -8.931 -8.900 1.00 0.95 H new ATOM 0 HA GLU A 66 8.494 -8.635 -6.616 1.00 0.84 H new ATOM 0 HB2 GLU A 66 11.470 -8.201 -7.040 1.00 0.87 H new ATOM 0 HB3 GLU A 66 10.676 -7.940 -5.499 1.00 0.87 H new ATOM 0 HG2 GLU A 66 10.746 -10.588 -7.022 1.00 1.04 H new ATOM 0 HG3 GLU A 66 11.740 -10.189 -5.634 1.00 1.04 H new ATOM 1067 N ILE A 67 8.634 -6.187 -5.960 1.00 0.78 N ATOM 1068 CA ILE A 67 8.448 -4.795 -5.541 1.00 0.83 C ATOM 1069 C ILE A 67 9.325 -4.479 -4.340 1.00 0.66 C ATOM 1070 O ILE A 67 9.462 -5.296 -3.434 1.00 0.66 O ATOM 1071 CB ILE A 67 6.957 -4.557 -5.190 1.00 1.11 C ATOM 1072 CG1 ILE A 67 6.235 -4.263 -6.510 1.00 1.41 C ATOM 1073 CG2 ILE A 67 6.727 -3.442 -4.156 1.00 2.45 C ATOM 1074 CD1 ILE A 67 4.732 -4.077 -6.370 1.00 1.66 C ATOM 0 H ILE A 67 8.402 -6.830 -5.203 1.00 0.78 H new ATOM 0 HA ILE A 67 8.737 -4.136 -6.359 1.00 0.83 H new ATOM 0 HB ILE A 67 6.558 -5.448 -4.705 1.00 1.11 H new ATOM 0 HG12 ILE A 67 6.662 -3.363 -6.952 1.00 1.41 H new ATOM 0 HG13 ILE A 67 6.426 -5.080 -7.205 1.00 1.41 H new ATOM 0 HG21 ILE A 67 5.659 -3.338 -3.965 1.00 2.45 H new ATOM 0 HG22 ILE A 67 7.239 -3.696 -3.228 1.00 2.45 H new ATOM 0 HG23 ILE A 67 7.120 -2.501 -4.542 1.00 2.45 H new ATOM 0 HD11 ILE A 67 4.298 -3.873 -7.349 1.00 1.66 H new ATOM 0 HD12 ILE A 67 4.290 -4.985 -5.959 1.00 1.66 H new ATOM 0 HD13 ILE A 67 4.530 -3.240 -5.702 1.00 1.66 H new ATOM 1086 N ASP A 68 9.831 -3.251 -4.301 1.00 0.87 N ATOM 1087 CA ASP A 68 10.553 -2.671 -3.168 1.00 1.04 C ATOM 1088 C ASP A 68 9.618 -1.767 -2.336 1.00 1.05 C ATOM 1089 O ASP A 68 8.762 -1.051 -2.867 1.00 1.36 O ATOM 1090 CB ASP A 68 11.740 -1.916 -3.779 1.00 1.49 C ATOM 1091 CG ASP A 68 12.789 -1.313 -2.836 1.00 1.19 C ATOM 1092 OD1 ASP A 68 12.550 -1.175 -1.613 1.00 1.97 O ATOM 1093 OD2 ASP A 68 13.830 -0.831 -3.347 1.00 2.41 O ATOM 0 H ASP A 68 9.748 -2.606 -5.086 1.00 0.87 H new ATOM 0 HA ASP A 68 10.912 -3.425 -2.467 1.00 1.04 H new ATOM 0 HB2 ASP A 68 12.255 -2.599 -4.454 1.00 1.49 H new ATOM 0 HB3 ASP A 68 11.339 -1.107 -4.389 1.00 1.49 H new ATOM 1098 N PHE A 69 9.804 -1.778 -1.010 1.00 0.85 N ATOM 1099 CA PHE A 69 8.965 -1.138 0.020 1.00 0.77 C ATOM 1100 C PHE A 69 8.632 0.346 -0.260 1.00 0.69 C ATOM 1101 O PHE A 69 7.634 0.881 0.225 1.00 0.71 O ATOM 1102 CB PHE A 69 9.700 -1.288 1.365 1.00 0.81 C ATOM 1103 CG PHE A 69 8.828 -1.382 2.609 1.00 1.13 C ATOM 1104 CD1 PHE A 69 8.169 -0.254 3.143 1.00 2.52 C ATOM 1105 CD2 PHE A 69 8.714 -2.617 3.275 1.00 2.21 C ATOM 1106 CE1 PHE A 69 7.422 -0.354 4.330 1.00 3.10 C ATOM 1107 CE2 PHE A 69 7.949 -2.723 4.449 1.00 2.90 C ATOM 1108 CZ PHE A 69 7.314 -1.590 4.986 1.00 2.84 C ATOM 0 H PHE A 69 10.598 -2.267 -0.597 1.00 0.85 H new ATOM 0 HA PHE A 69 7.996 -1.637 0.027 1.00 0.77 H new ATOM 0 HB2 PHE A 69 10.322 -2.182 1.316 1.00 0.81 H new ATOM 0 HB3 PHE A 69 10.372 -0.438 1.483 1.00 0.81 H new ATOM 0 HD1 PHE A 69 8.239 0.696 2.634 1.00 2.52 H new ATOM 0 HD2 PHE A 69 9.217 -3.488 2.881 1.00 2.21 H new ATOM 0 HE1 PHE A 69 6.932 0.519 4.736 1.00 3.10 H new ATOM 0 HE2 PHE A 69 7.849 -3.679 4.941 1.00 2.90 H new ATOM 0 HZ PHE A 69 6.745 -1.670 5.900 1.00 2.84 H new ATOM 1118 N LYS A 70 9.444 1.047 -1.064 1.00 0.73 N ATOM 1119 CA LYS A 70 9.173 2.437 -1.467 1.00 0.77 C ATOM 1120 C LYS A 70 7.897 2.535 -2.314 1.00 0.74 C ATOM 1121 O LYS A 70 7.039 3.372 -2.021 1.00 0.73 O ATOM 1122 CB LYS A 70 10.331 2.980 -2.307 1.00 1.02 C ATOM 1123 CG LYS A 70 11.675 3.180 -1.594 1.00 1.37 C ATOM 1124 CD LYS A 70 12.438 1.856 -1.467 1.00 2.67 C ATOM 1125 CE LYS A 70 13.943 2.095 -1.377 1.00 3.24 C ATOM 1126 NZ LYS A 70 14.677 0.805 -1.345 1.00 4.14 N ATOM 0 H LYS A 70 10.307 0.668 -1.454 1.00 0.73 H new ATOM 0 HA LYS A 70 9.052 3.018 -0.553 1.00 0.77 H new ATOM 0 HB2 LYS A 70 10.490 2.301 -3.144 1.00 1.02 H new ATOM 0 HB3 LYS A 70 10.025 3.938 -2.727 1.00 1.02 H new ATOM 0 HG2 LYS A 70 12.279 3.899 -2.147 1.00 1.37 H new ATOM 0 HG3 LYS A 70 11.505 3.601 -0.603 1.00 1.37 H new ATOM 0 HD2 LYS A 70 12.098 1.321 -0.581 1.00 2.67 H new ATOM 0 HD3 LYS A 70 12.218 1.222 -2.326 1.00 2.67 H new ATOM 0 HE2 LYS A 70 14.274 2.687 -2.230 1.00 3.24 H new ATOM 0 HE3 LYS A 70 14.172 2.672 -0.481 1.00 3.24 H new ATOM 0 HZ1 LYS A 70 15.699 0.988 -1.284 1.00 4.14 H new ATOM 0 HZ2 LYS A 70 14.374 0.254 -0.517 1.00 4.14 H new ATOM 0 HZ3 LYS A 70 14.473 0.268 -2.212 1.00 4.14 H new ATOM 1140 N GLU A 71 7.796 1.660 -3.319 1.00 0.76 N ATOM 1141 CA GLU A 71 6.664 1.542 -4.237 1.00 0.70 C ATOM 1142 C GLU A 71 5.386 1.233 -3.445 1.00 0.63 C ATOM 1143 O GLU A 71 4.318 1.751 -3.752 1.00 0.69 O ATOM 1144 CB GLU A 71 6.912 0.435 -5.280 1.00 0.75 C ATOM 1145 CG GLU A 71 8.302 0.442 -5.943 1.00 0.87 C ATOM 1146 CD GLU A 71 8.419 -0.666 -6.993 1.00 1.94 C ATOM 1147 OE1 GLU A 71 7.861 -0.518 -8.104 1.00 2.38 O ATOM 1148 OE2 GLU A 71 9.045 -1.710 -6.709 1.00 3.31 O ATOM 0 H GLU A 71 8.534 0.986 -3.522 1.00 0.76 H new ATOM 0 HA GLU A 71 6.548 2.489 -4.764 1.00 0.70 H new ATOM 0 HB2 GLU A 71 6.764 -0.532 -4.799 1.00 0.75 H new ATOM 0 HB3 GLU A 71 6.157 0.521 -6.061 1.00 0.75 H new ATOM 0 HG2 GLU A 71 8.480 1.410 -6.411 1.00 0.87 H new ATOM 0 HG3 GLU A 71 9.071 0.309 -5.183 1.00 0.87 H new ATOM 1155 N TYR A 72 5.520 0.465 -2.359 1.00 0.60 N ATOM 1156 CA TYR A 72 4.419 0.133 -1.441 1.00 0.53 C ATOM 1157 C TYR A 72 3.973 1.359 -0.626 1.00 0.54 C ATOM 1158 O TYR A 72 2.796 1.707 -0.599 1.00 0.53 O ATOM 1159 CB TYR A 72 4.882 -1.050 -0.568 1.00 0.53 C ATOM 1160 CG TYR A 72 4.166 -1.313 0.749 1.00 0.48 C ATOM 1161 CD1 TYR A 72 2.791 -1.600 0.772 1.00 1.72 C ATOM 1162 CD2 TYR A 72 4.905 -1.401 1.946 1.00 1.49 C ATOM 1163 CE1 TYR A 72 2.168 -2.035 1.960 1.00 1.77 C ATOM 1164 CE2 TYR A 72 4.280 -1.790 3.147 1.00 1.53 C ATOM 1165 CZ TYR A 72 2.909 -2.122 3.159 1.00 0.69 C ATOM 1166 OH TYR A 72 2.306 -2.556 4.299 1.00 0.88 O ATOM 0 H TYR A 72 6.410 0.048 -2.086 1.00 0.60 H new ATOM 0 HA TYR A 72 3.529 -0.166 -1.995 1.00 0.53 H new ATOM 0 HB2 TYR A 72 4.807 -1.955 -1.171 1.00 0.53 H new ATOM 0 HB3 TYR A 72 5.939 -0.902 -0.346 1.00 0.53 H new ATOM 0 HD1 TYR A 72 2.206 -1.486 -0.128 1.00 1.72 H new ATOM 0 HD2 TYR A 72 5.960 -1.168 1.942 1.00 1.49 H new ATOM 0 HE1 TYR A 72 1.122 -2.302 1.953 1.00 1.77 H new ATOM 0 HE2 TYR A 72 4.852 -1.834 4.062 1.00 1.53 H new ATOM 0 HH TYR A 72 2.988 -2.754 4.975 1.00 0.88 H new ATOM 1176 N SER A 73 4.924 2.084 -0.042 1.00 0.57 N ATOM 1177 CA SER A 73 4.677 3.290 0.752 1.00 0.59 C ATOM 1178 C SER A 73 4.137 4.471 -0.078 1.00 0.60 C ATOM 1179 O SER A 73 3.205 5.138 0.375 1.00 0.61 O ATOM 1180 CB SER A 73 5.980 3.638 1.476 1.00 0.60 C ATOM 1181 OG SER A 73 5.750 4.368 2.660 1.00 2.32 O ATOM 0 H SER A 73 5.913 1.845 -0.108 1.00 0.57 H new ATOM 0 HA SER A 73 3.884 3.088 1.472 1.00 0.59 H new ATOM 0 HB2 SER A 73 6.518 2.720 1.715 1.00 0.60 H new ATOM 0 HB3 SER A 73 6.620 4.218 0.811 1.00 0.60 H new ATOM 0 HG SER A 73 6.569 4.386 3.198 1.00 2.32 H new ATOM 1187 N VAL A 74 4.630 4.702 -1.307 1.00 0.63 N ATOM 1188 CA VAL A 74 4.074 5.738 -2.198 1.00 0.65 C ATOM 1189 C VAL A 74 2.730 5.351 -2.804 1.00 0.62 C ATOM 1190 O VAL A 74 1.923 6.245 -3.020 1.00 0.63 O ATOM 1191 CB VAL A 74 5.003 6.195 -3.343 1.00 0.72 C ATOM 1192 CG1 VAL A 74 6.298 6.767 -2.772 1.00 0.82 C ATOM 1193 CG2 VAL A 74 5.291 5.123 -4.399 1.00 0.73 C ATOM 0 H VAL A 74 5.413 4.185 -1.707 1.00 0.63 H new ATOM 0 HA VAL A 74 3.950 6.579 -1.516 1.00 0.65 H new ATOM 0 HB VAL A 74 4.458 6.973 -3.878 1.00 0.72 H new ATOM 0 HG11 VAL A 74 6.946 7.086 -3.588 1.00 0.82 H new ATOM 0 HG12 VAL A 74 6.069 7.622 -2.135 1.00 0.82 H new ATOM 0 HG13 VAL A 74 6.805 6.002 -2.184 1.00 0.82 H new ATOM 0 HG21 VAL A 74 5.951 5.533 -5.163 1.00 0.73 H new ATOM 0 HG22 VAL A 74 5.771 4.266 -3.926 1.00 0.73 H new ATOM 0 HG23 VAL A 74 4.356 4.806 -4.860 1.00 0.73 H new ATOM 1203 N PHE A 75 2.443 4.063 -3.044 1.00 0.59 N ATOM 1204 CA PHE A 75 1.121 3.624 -3.495 1.00 0.58 C ATOM 1205 C PHE A 75 0.089 3.837 -2.398 1.00 0.56 C ATOM 1206 O PHE A 75 -0.985 4.368 -2.664 1.00 0.56 O ATOM 1207 CB PHE A 75 1.182 2.139 -3.863 1.00 0.58 C ATOM 1208 CG PHE A 75 -0.016 1.605 -4.620 1.00 0.55 C ATOM 1209 CD1 PHE A 75 -1.282 1.426 -4.020 1.00 1.90 C ATOM 1210 CD2 PHE A 75 0.170 1.241 -5.964 1.00 1.71 C ATOM 1211 CE1 PHE A 75 -2.341 0.860 -4.758 1.00 1.90 C ATOM 1212 CE2 PHE A 75 -0.883 0.685 -6.689 1.00 1.70 C ATOM 1213 CZ PHE A 75 -2.136 0.482 -6.100 1.00 0.55 C ATOM 0 H PHE A 75 3.116 3.305 -2.931 1.00 0.59 H new ATOM 0 HA PHE A 75 0.829 4.210 -4.367 1.00 0.58 H new ATOM 0 HB2 PHE A 75 2.075 1.968 -4.464 1.00 0.58 H new ATOM 0 HB3 PHE A 75 1.298 1.560 -2.947 1.00 0.58 H new ATOM 0 HD1 PHE A 75 -1.439 1.723 -2.994 1.00 1.90 H new ATOM 0 HD2 PHE A 75 1.130 1.392 -6.436 1.00 1.71 H new ATOM 0 HE1 PHE A 75 -3.307 0.716 -4.296 1.00 1.90 H new ATOM 0 HE2 PHE A 75 -0.729 0.407 -7.721 1.00 1.70 H new ATOM 0 HZ PHE A 75 -2.940 0.039 -6.669 1.00 0.55 H new ATOM 1223 N LEU A 76 0.415 3.477 -1.159 1.00 0.55 N ATOM 1224 CA LEU A 76 -0.472 3.689 -0.021 1.00 0.55 C ATOM 1225 C LEU A 76 -0.653 5.169 0.310 1.00 0.54 C ATOM 1226 O LEU A 76 -1.767 5.593 0.610 1.00 0.56 O ATOM 1227 CB LEU A 76 0.082 2.912 1.170 1.00 0.59 C ATOM 1228 CG LEU A 76 -0.026 1.385 1.008 1.00 0.75 C ATOM 1229 CD1 LEU A 76 0.571 0.774 2.273 1.00 1.06 C ATOM 1230 CD2 LEU A 76 -1.475 0.946 0.750 1.00 1.01 C ATOM 0 H LEU A 76 1.300 3.031 -0.917 1.00 0.55 H new ATOM 0 HA LEU A 76 -1.467 3.322 -0.274 1.00 0.55 H new ATOM 0 HB2 LEU A 76 1.128 3.181 1.315 1.00 0.59 H new ATOM 0 HB3 LEU A 76 -0.453 3.213 2.071 1.00 0.59 H new ATOM 0 HG LEU A 76 0.524 1.036 0.134 1.00 0.75 H new ATOM 0 HD11 LEU A 76 0.520 -0.313 2.211 1.00 1.06 H new ATOM 0 HD12 LEU A 76 1.612 1.083 2.370 1.00 1.06 H new ATOM 0 HD13 LEU A 76 0.008 1.115 3.142 1.00 1.06 H new ATOM 0 HD21 LEU A 76 -1.513 -0.138 0.641 1.00 1.01 H new ATOM 0 HD22 LEU A 76 -2.102 1.248 1.589 1.00 1.01 H new ATOM 0 HD23 LEU A 76 -1.840 1.416 -0.163 1.00 1.01 H new ATOM 1242 N THR A 77 0.410 5.964 0.168 1.00 0.55 N ATOM 1243 CA THR A 77 0.352 7.428 0.230 1.00 0.58 C ATOM 1244 C THR A 77 -0.534 7.996 -0.872 1.00 0.61 C ATOM 1245 O THR A 77 -1.412 8.798 -0.582 1.00 0.64 O ATOM 1246 CB THR A 77 1.767 7.996 0.197 1.00 0.62 C ATOM 1247 OG1 THR A 77 2.409 7.586 1.374 1.00 0.67 O ATOM 1248 CG2 THR A 77 1.778 9.520 0.188 1.00 0.72 C ATOM 0 H THR A 77 1.350 5.604 0.004 1.00 0.55 H new ATOM 0 HA THR A 77 -0.109 7.730 1.170 1.00 0.58 H new ATOM 0 HB THR A 77 2.257 7.641 -0.709 1.00 0.62 H new ATOM 0 HG1 THR A 77 2.787 6.691 1.246 1.00 0.67 H new ATOM 0 HG21 THR A 77 2.808 9.876 0.164 1.00 0.72 H new ATOM 0 HG22 THR A 77 1.248 9.882 -0.693 1.00 0.72 H new ATOM 0 HG23 THR A 77 1.286 9.893 1.086 1.00 0.72 H new ATOM 1256 N MET A 78 -0.362 7.560 -2.122 1.00 0.65 N ATOM 1257 CA MET A 78 -1.210 7.949 -3.256 1.00 0.73 C ATOM 1258 C MET A 78 -2.681 7.576 -3.013 1.00 0.74 C ATOM 1259 O MET A 78 -3.574 8.359 -3.309 1.00 0.84 O ATOM 1260 CB MET A 78 -0.673 7.263 -4.524 1.00 0.81 C ATOM 1261 CG MET A 78 -1.263 7.818 -5.821 1.00 1.28 C ATOM 1262 SD MET A 78 -0.120 8.872 -6.750 1.00 1.77 S ATOM 1263 CE MET A 78 0.845 7.550 -7.535 1.00 1.80 C ATOM 0 H MET A 78 0.384 6.915 -2.381 1.00 0.65 H new ATOM 0 HA MET A 78 -1.175 9.032 -3.377 1.00 0.73 H new ATOM 0 HB2 MET A 78 0.411 7.371 -4.553 1.00 0.81 H new ATOM 0 HB3 MET A 78 -0.885 6.195 -4.466 1.00 0.81 H new ATOM 0 HG2 MET A 78 -1.572 6.986 -6.454 1.00 1.28 H new ATOM 0 HG3 MET A 78 -2.161 8.390 -5.586 1.00 1.28 H new ATOM 0 HE1 MET A 78 1.619 7.989 -8.164 1.00 1.80 H new ATOM 0 HE2 MET A 78 1.309 6.933 -6.766 1.00 1.80 H new ATOM 0 HE3 MET A 78 0.187 6.933 -8.147 1.00 1.80 H new ATOM 1273 N LEU A 79 -2.926 6.397 -2.439 1.00 0.69 N ATOM 1274 CA LEU A 79 -4.262 5.892 -2.142 1.00 0.76 C ATOM 1275 C LEU A 79 -4.919 6.668 -0.997 1.00 0.83 C ATOM 1276 O LEU A 79 -6.069 7.071 -1.128 1.00 0.95 O ATOM 1277 CB LEU A 79 -4.146 4.378 -1.877 1.00 0.77 C ATOM 1278 CG LEU A 79 -5.475 3.661 -1.599 1.00 1.17 C ATOM 1279 CD1 LEU A 79 -6.528 3.945 -2.683 1.00 1.55 C ATOM 1280 CD2 LEU A 79 -5.222 2.151 -1.487 1.00 2.15 C ATOM 0 H LEU A 79 -2.183 5.755 -2.163 1.00 0.69 H new ATOM 0 HA LEU A 79 -4.928 6.045 -2.991 1.00 0.76 H new ATOM 0 HB2 LEU A 79 -3.672 3.909 -2.739 1.00 0.77 H new ATOM 0 HB3 LEU A 79 -3.483 4.224 -1.026 1.00 0.77 H new ATOM 0 HG LEU A 79 -5.874 4.044 -0.660 1.00 1.17 H new ATOM 0 HD11 LEU A 79 -7.450 3.416 -2.442 1.00 1.55 H new ATOM 0 HD12 LEU A 79 -6.725 5.016 -2.727 1.00 1.55 H new ATOM 0 HD13 LEU A 79 -6.156 3.604 -3.649 1.00 1.55 H new ATOM 0 HD21 LEU A 79 -6.163 1.638 -1.290 1.00 2.15 H new ATOM 0 HD22 LEU A 79 -4.797 1.783 -2.421 1.00 2.15 H new ATOM 0 HD23 LEU A 79 -4.526 1.958 -0.671 1.00 2.15 H new ATOM 1292 N CYS A 80 -4.192 6.964 0.082 1.00 0.79 N ATOM 1293 CA CYS A 80 -4.659 7.852 1.152 1.00 0.84 C ATOM 1294 C CYS A 80 -4.933 9.277 0.641 1.00 0.88 C ATOM 1295 O CYS A 80 -5.936 9.883 0.998 1.00 1.01 O ATOM 1296 CB CYS A 80 -3.628 7.808 2.286 1.00 0.88 C ATOM 1297 SG CYS A 80 -4.205 8.807 3.690 1.00 0.98 S ATOM 0 H CYS A 80 -3.255 6.592 0.240 1.00 0.79 H new ATOM 0 HA CYS A 80 -5.620 7.506 1.533 1.00 0.84 H new ATOM 0 HB2 CYS A 80 -3.468 6.778 2.604 1.00 0.88 H new ATOM 0 HB3 CYS A 80 -2.669 8.184 1.931 1.00 0.88 H new ATOM 0 HG CYS A 80 -3.325 8.761 4.646 1.00 0.98 H new ATOM 1303 N MET A 81 -4.122 9.779 -0.292 1.00 0.87 N ATOM 1304 CA MET A 81 -4.341 11.050 -0.990 1.00 0.96 C ATOM 1305 C MET A 81 -5.621 11.039 -1.840 1.00 1.18 C ATOM 1306 O MET A 81 -6.159 12.101 -2.141 1.00 1.38 O ATOM 1307 CB MET A 81 -3.073 11.385 -1.791 1.00 1.11 C ATOM 1308 CG MET A 81 -3.153 12.706 -2.555 1.00 2.15 C ATOM 1309 SD MET A 81 -1.541 13.276 -3.159 1.00 2.77 S ATOM 1310 CE MET A 81 -0.937 14.021 -1.624 1.00 3.21 C ATOM 0 H MET A 81 -3.272 9.301 -0.592 1.00 0.87 H new ATOM 0 HA MET A 81 -4.512 11.845 -0.264 1.00 0.96 H new ATOM 0 HB2 MET A 81 -2.224 11.422 -1.109 1.00 1.11 H new ATOM 0 HB3 MET A 81 -2.879 10.579 -2.498 1.00 1.11 H new ATOM 0 HG2 MET A 81 -3.831 12.589 -3.401 1.00 2.15 H new ATOM 0 HG3 MET A 81 -3.582 13.469 -1.906 1.00 2.15 H new ATOM 0 HE1 MET A 81 -0.463 14.977 -1.846 1.00 3.21 H new ATOM 0 HE2 MET A 81 -1.773 14.180 -0.943 1.00 3.21 H new ATOM 0 HE3 MET A 81 -0.211 13.355 -1.158 1.00 3.21 H new ATOM 1320 N ALA A 82 -6.144 9.858 -2.183 1.00 1.24 N ATOM 1321 CA ALA A 82 -7.436 9.718 -2.837 1.00 1.56 C ATOM 1322 C ALA A 82 -8.642 9.825 -1.866 1.00 1.70 C ATOM 1323 O ALA A 82 -9.786 9.668 -2.305 1.00 2.08 O ATOM 1324 CB ALA A 82 -7.421 8.453 -3.707 1.00 1.59 C ATOM 0 H ALA A 82 -5.674 8.969 -2.011 1.00 1.24 H new ATOM 0 HA ALA A 82 -7.593 10.572 -3.496 1.00 1.56 H new ATOM 0 HB1 ALA A 82 -8.386 8.340 -4.201 1.00 1.59 H new ATOM 0 HB2 ALA A 82 -6.636 8.538 -4.458 1.00 1.59 H new ATOM 0 HB3 ALA A 82 -7.230 7.582 -3.080 1.00 1.59 H new ATOM 1330 N TYR A 83 -8.419 10.079 -0.568 1.00 1.53 N ATOM 1331 CA TYR A 83 -9.453 10.377 0.441 1.00 1.76 C ATOM 1332 C TYR A 83 -9.011 11.318 1.584 1.00 1.64 C ATOM 1333 O TYR A 83 -9.736 11.477 2.568 1.00 2.21 O ATOM 1334 CB TYR A 83 -10.067 9.085 0.991 1.00 2.14 C ATOM 1335 CG TYR A 83 -9.115 8.062 1.553 1.00 2.02 C ATOM 1336 CD1 TYR A 83 -8.703 8.137 2.893 1.00 3.27 C ATOM 1337 CD2 TYR A 83 -8.705 6.986 0.745 1.00 1.69 C ATOM 1338 CE1 TYR A 83 -7.888 7.131 3.436 1.00 3.29 C ATOM 1339 CE2 TYR A 83 -7.922 5.955 1.287 1.00 1.75 C ATOM 1340 CZ TYR A 83 -7.510 6.020 2.644 1.00 2.10 C ATOM 1341 OH TYR A 83 -6.741 5.034 3.182 1.00 2.27 O ATOM 0 H TYR A 83 -7.478 10.083 -0.175 1.00 1.53 H new ATOM 0 HA TYR A 83 -10.214 10.943 -0.097 1.00 1.76 H new ATOM 0 HB2 TYR A 83 -10.777 9.353 1.773 1.00 2.14 H new ATOM 0 HB3 TYR A 83 -10.638 8.614 0.191 1.00 2.14 H new ATOM 0 HD1 TYR A 83 -9.013 8.970 3.507 1.00 3.27 H new ATOM 0 HD2 TYR A 83 -8.994 6.953 -0.295 1.00 1.69 H new ATOM 0 HE1 TYR A 83 -7.549 7.205 4.459 1.00 3.29 H new ATOM 0 HE2 TYR A 83 -7.634 5.114 0.673 1.00 1.75 H new ATOM 0 HH TYR A 83 -6.699 5.146 4.155 1.00 2.27 H new ATOM 1351 N ASN A 84 -7.846 11.968 1.488 1.00 1.28 N ATOM 1352 CA ASN A 84 -7.369 12.902 2.519 1.00 1.41 C ATOM 1353 C ASN A 84 -8.016 14.292 2.448 1.00 1.31 C ATOM 1354 O ASN A 84 -7.634 15.199 3.192 1.00 1.74 O ATOM 1355 CB ASN A 84 -5.833 12.903 2.619 1.00 1.57 C ATOM 1356 CG ASN A 84 -5.112 13.699 1.538 1.00 2.98 C ATOM 1357 OD1 ASN A 84 -5.628 14.003 0.477 1.00 4.20 O ATOM 1358 ND2 ASN A 84 -3.862 14.067 1.771 1.00 3.64 N ATOM 0 H ASN A 84 -7.209 11.864 0.699 1.00 1.28 H new ATOM 0 HA ASN A 84 -7.723 12.521 3.477 1.00 1.41 H new ATOM 0 HB2 ASN A 84 -5.549 13.303 3.592 1.00 1.57 H new ATOM 0 HB3 ASN A 84 -5.482 11.872 2.583 1.00 1.57 H new ATOM 0 HD21 ASN A 84 -3.347 14.596 1.068 1.00 3.64 H new ATOM 0 HD22 ASN A 84 -3.414 13.821 2.654 1.00 3.64 H new ATOM 1365 N ASP A 85 -9.077 14.416 1.645 1.00 1.30 N ATOM 1366 CA ASP A 85 -10.071 15.481 1.722 1.00 1.38 C ATOM 1367 C ASP A 85 -10.760 15.586 3.091 1.00 1.60 C ATOM 1368 O ASP A 85 -11.203 16.668 3.459 1.00 1.86 O ATOM 1369 CB ASP A 85 -11.110 15.296 0.601 1.00 2.00 C ATOM 1370 CG ASP A 85 -11.681 13.870 0.541 1.00 3.02 C ATOM 1371 OD1 ASP A 85 -12.659 13.562 1.257 1.00 3.90 O ATOM 1372 OD2 ASP A 85 -11.082 13.056 -0.195 1.00 3.77 O ATOM 0 H ASP A 85 -9.271 13.750 0.897 1.00 1.30 H new ATOM 0 HA ASP A 85 -9.539 16.423 1.589 1.00 1.38 H new ATOM 0 HB2 ASP A 85 -11.927 16.003 0.750 1.00 2.00 H new ATOM 0 HB3 ASP A 85 -10.650 15.538 -0.357 1.00 2.00 H new ATOM 1377 N PHE A 86 -10.730 14.528 3.907 1.00 1.86 N ATOM 1378 CA PHE A 86 -11.127 14.570 5.319 1.00 2.37 C ATOM 1379 C PHE A 86 -10.359 15.608 6.176 1.00 2.37 C ATOM 1380 O PHE A 86 -10.737 15.827 7.328 1.00 2.95 O ATOM 1381 CB PHE A 86 -11.030 13.144 5.896 1.00 2.72 C ATOM 1382 CG PHE A 86 -12.275 12.305 5.665 1.00 3.22 C ATOM 1383 CD1 PHE A 86 -12.653 11.918 4.365 1.00 3.92 C ATOM 1384 CD2 PHE A 86 -13.085 11.930 6.758 1.00 3.88 C ATOM 1385 CE1 PHE A 86 -13.823 11.169 4.156 1.00 4.76 C ATOM 1386 CE2 PHE A 86 -14.256 11.177 6.552 1.00 4.56 C ATOM 1387 CZ PHE A 86 -14.627 10.798 5.248 1.00 4.84 C ATOM 0 H PHE A 86 -10.425 13.604 3.601 1.00 1.86 H new ATOM 0 HA PHE A 86 -12.157 14.923 5.362 1.00 2.37 H new ATOM 0 HB2 PHE A 86 -10.174 12.638 5.449 1.00 2.72 H new ATOM 0 HB3 PHE A 86 -10.839 13.207 6.967 1.00 2.72 H new ATOM 0 HD1 PHE A 86 -12.039 12.199 3.522 1.00 3.92 H new ATOM 0 HD2 PHE A 86 -12.805 12.223 7.759 1.00 3.88 H new ATOM 0 HE1 PHE A 86 -14.105 10.878 3.155 1.00 4.76 H new ATOM 0 HE2 PHE A 86 -14.869 10.890 7.393 1.00 4.56 H new ATOM 0 HZ PHE A 86 -15.527 10.224 5.087 1.00 4.84 H new ATOM 1397 N PHE A 87 -9.311 16.257 5.641 1.00 1.96 N ATOM 1398 CA PHE A 87 -8.581 17.355 6.293 1.00 2.28 C ATOM 1399 C PHE A 87 -8.765 18.730 5.613 1.00 2.32 C ATOM 1400 O PHE A 87 -8.247 19.724 6.131 1.00 2.86 O ATOM 1401 CB PHE A 87 -7.087 16.986 6.363 1.00 2.36 C ATOM 1402 CG PHE A 87 -6.802 15.587 6.884 1.00 2.59 C ATOM 1403 CD1 PHE A 87 -7.282 15.183 8.145 1.00 3.52 C ATOM 1404 CD2 PHE A 87 -6.104 14.672 6.080 1.00 2.68 C ATOM 1405 CE1 PHE A 87 -7.076 13.864 8.588 1.00 3.98 C ATOM 1406 CE2 PHE A 87 -5.903 13.351 6.518 1.00 3.22 C ATOM 1407 CZ PHE A 87 -6.395 12.946 7.772 1.00 3.66 C ATOM 0 H PHE A 87 -8.939 16.026 4.720 1.00 1.96 H new ATOM 0 HA PHE A 87 -9.003 17.469 7.291 1.00 2.28 H new ATOM 0 HB2 PHE A 87 -6.656 17.083 5.367 1.00 2.36 H new ATOM 0 HB3 PHE A 87 -6.578 17.708 7.002 1.00 2.36 H new ATOM 0 HD1 PHE A 87 -7.809 15.887 8.772 1.00 3.52 H new ATOM 0 HD2 PHE A 87 -5.719 14.984 5.120 1.00 2.68 H new ATOM 0 HE1 PHE A 87 -7.442 13.557 9.557 1.00 3.98 H new ATOM 0 HE2 PHE A 87 -5.372 12.649 5.893 1.00 3.22 H new ATOM 0 HZ PHE A 87 -6.249 11.930 8.107 1.00 3.66 H new ATOM 1417 N LEU A 88 -9.451 18.812 4.462 1.00 1.93 N ATOM 1418 CA LEU A 88 -9.636 20.045 3.688 1.00 2.00 C ATOM 1419 C LEU A 88 -11.108 20.440 3.513 1.00 2.65 C ATOM 1420 O LEU A 88 -12.024 19.635 3.551 1.00 3.71 O ATOM 1421 CB LEU A 88 -8.966 19.910 2.303 1.00 1.38 C ATOM 1422 CG LEU A 88 -7.425 19.983 2.285 1.00 2.03 C ATOM 1423 CD1 LEU A 88 -6.935 20.201 0.851 1.00 2.16 C ATOM 1424 CD2 LEU A 88 -6.839 21.111 3.145 1.00 3.33 C ATOM 0 H LEU A 88 -9.902 18.003 4.036 1.00 1.93 H new ATOM 0 HA LEU A 88 -9.161 20.841 4.262 1.00 2.00 H new ATOM 0 HB2 LEU A 88 -9.270 18.959 1.866 1.00 1.38 H new ATOM 0 HB3 LEU A 88 -9.354 20.696 1.656 1.00 1.38 H new ATOM 0 HG LEU A 88 -7.086 19.035 2.702 1.00 2.03 H new ATOM 0 HD11 LEU A 88 -5.846 20.252 0.842 1.00 2.16 H new ATOM 0 HD12 LEU A 88 -7.264 19.372 0.224 1.00 2.16 H new ATOM 0 HD13 LEU A 88 -7.345 21.134 0.464 1.00 2.16 H new ATOM 0 HD21 LEU A 88 -5.751 21.093 3.077 1.00 3.33 H new ATOM 0 HD22 LEU A 88 -7.209 22.072 2.786 1.00 3.33 H new ATOM 0 HD23 LEU A 88 -7.140 20.971 4.183 1.00 3.33 H new ATOM 1436 N GLU A 89 -11.307 21.725 3.265 1.00 2.68 N ATOM 1437 CA GLU A 89 -12.579 22.375 2.957 1.00 3.31 C ATOM 1438 C GLU A 89 -12.929 22.339 1.454 1.00 3.08 C ATOM 1439 O GLU A 89 -13.779 23.097 0.995 1.00 3.57 O ATOM 1440 CB GLU A 89 -12.469 23.834 3.410 1.00 3.94 C ATOM 1441 CG GLU A 89 -12.246 24.012 4.923 1.00 4.65 C ATOM 1442 CD GLU A 89 -10.804 23.809 5.407 1.00 4.67 C ATOM 1443 OE1 GLU A 89 -9.876 23.614 4.589 1.00 4.56 O ATOM 1444 OE2 GLU A 89 -10.568 23.785 6.634 1.00 5.42 O ATOM 0 H GLU A 89 -10.534 22.390 3.273 1.00 2.68 H new ATOM 0 HA GLU A 89 -13.373 21.837 3.475 1.00 3.31 H new ATOM 0 HB2 GLU A 89 -11.646 24.307 2.875 1.00 3.94 H new ATOM 0 HB3 GLU A 89 -13.380 24.361 3.124 1.00 3.94 H new ATOM 0 HG2 GLU A 89 -12.567 25.015 5.204 1.00 4.65 H new ATOM 0 HG3 GLU A 89 -12.891 23.310 5.453 1.00 4.65 H new ATOM 1451 N ASP A 90 -12.164 21.539 0.711 1.00 2.76 N ATOM 1452 CA ASP A 90 -12.063 21.392 -0.759 1.00 3.17 C ATOM 1453 C ASP A 90 -11.378 22.611 -1.400 1.00 3.02 C ATOM 1454 O ASP A 90 -10.439 22.488 -2.184 1.00 3.65 O ATOM 1455 CB ASP A 90 -13.449 21.123 -1.392 1.00 4.61 C ATOM 1456 CG ASP A 90 -13.403 21.054 -2.923 1.00 5.47 C ATOM 1457 OD1 ASP A 90 -13.063 19.970 -3.452 1.00 6.39 O ATOM 1458 OD2 ASP A 90 -13.752 22.081 -3.556 1.00 5.75 O ATOM 0 H ASP A 90 -11.519 20.897 1.172 1.00 2.76 H new ATOM 0 HA ASP A 90 -11.436 20.524 -0.961 1.00 3.17 H new ATOM 0 HB2 ASP A 90 -13.844 20.185 -1.003 1.00 4.61 H new ATOM 0 HB3 ASP A 90 -14.140 21.910 -1.089 1.00 4.61 H new ATOM 1463 N ASN A 91 -11.832 23.800 -1.019 1.00 3.58 N ATOM 1464 CA ASN A 91 -11.663 25.031 -1.779 1.00 4.75 C ATOM 1465 C ASN A 91 -10.244 25.646 -1.792 1.00 5.05 C ATOM 1466 O ASN A 91 -9.957 26.467 -2.671 1.00 5.79 O ATOM 1467 CB ASN A 91 -12.671 26.020 -1.170 1.00 6.02 C ATOM 1468 CG ASN A 91 -12.774 27.310 -1.961 1.00 7.39 C ATOM 1469 OD1 ASN A 91 -12.393 28.380 -1.508 1.00 8.62 O ATOM 1470 ND2 ASN A 91 -13.293 27.235 -3.171 1.00 7.75 N ATOM 0 H ASN A 91 -12.343 23.937 -0.147 1.00 3.58 H new ATOM 0 HA ASN A 91 -11.832 24.805 -2.832 1.00 4.75 H new ATOM 0 HB2 ASN A 91 -13.653 25.549 -1.121 1.00 6.02 H new ATOM 0 HB3 ASN A 91 -12.376 26.249 -0.146 1.00 6.02 H new ATOM 0 HD21 ASN A 91 -13.381 28.076 -3.741 1.00 7.75 H new ATOM 0 HD22 ASN A 91 -13.607 26.336 -3.537 1.00 7.75 H new ATOM 1477 N LYS A 92 -9.407 25.366 -0.779 1.00 4.99 N ATOM 1478 CA LYS A 92 -8.256 26.213 -0.419 1.00 6.07 C ATOM 1479 C LYS A 92 -6.843 25.660 -0.526 1.00 6.21 C ATOM 1480 O LYS A 92 -6.586 24.501 -0.169 1.00 6.13 O ATOM 1481 CB LYS A 92 -8.457 26.849 0.969 1.00 7.32 C ATOM 1482 CG LYS A 92 -9.532 27.940 0.991 1.00 8.03 C ATOM 1483 CD LYS A 92 -9.411 28.974 -0.141 1.00 7.97 C ATOM 1484 CE LYS A 92 -8.057 29.717 -0.224 1.00 8.63 C ATOM 1485 NZ LYS A 92 -7.044 29.052 -1.098 1.00 8.36 N ATOM 1486 OXT LYS A 92 -6.028 26.553 -0.863 1.00 7.09 O ATOM 0 H LYS A 92 -9.509 24.543 -0.185 1.00 4.99 H new ATOM 0 HA LYS A 92 -8.280 26.940 -1.231 1.00 6.07 H new ATOM 0 HB2 LYS A 92 -8.727 26.070 1.681 1.00 7.32 H new ATOM 0 HB3 LYS A 92 -7.512 27.275 1.305 1.00 7.32 H new ATOM 0 HG2 LYS A 92 -10.513 27.468 0.932 1.00 8.03 H new ATOM 0 HG3 LYS A 92 -9.485 28.460 1.948 1.00 8.03 H new ATOM 0 HD2 LYS A 92 -9.587 28.469 -1.091 1.00 7.97 H new ATOM 0 HD3 LYS A 92 -10.204 29.712 -0.021 1.00 7.97 H new ATOM 0 HE2 LYS A 92 -8.232 30.727 -0.594 1.00 8.63 H new ATOM 0 HE3 LYS A 92 -7.646 29.813 0.781 1.00 8.63 H new ATOM 0 HZ1 LYS A 92 -6.282 29.724 -1.320 1.00 8.36 H new ATOM 0 HZ2 LYS A 92 -6.646 28.228 -0.603 1.00 8.36 H new ATOM 0 HZ3 LYS A 92 -7.498 28.740 -1.980 1.00 8.36 H new TER 1500 LYS A 92 ATOM 1501 N MET B 1 -14.248 0.065 13.503 1.00 6.43 N ATOM 1502 CA MET B 1 -13.694 -0.622 12.313 1.00 5.28 C ATOM 1503 C MET B 1 -12.165 -0.638 12.346 1.00 3.84 C ATOM 1504 O MET B 1 -11.619 -1.701 12.580 1.00 4.68 O ATOM 1505 CB MET B 1 -14.230 -0.023 11.003 1.00 5.47 C ATOM 1506 CG MET B 1 -13.864 -0.893 9.795 1.00 6.03 C ATOM 1507 SD MET B 1 -14.314 -0.125 8.220 1.00 6.45 S ATOM 1508 CE MET B 1 -15.065 -1.526 7.344 1.00 8.00 C ATOM 0 H1 MET B 1 -15.096 -0.439 13.831 1.00 6.43 H new ATOM 0 H2 MET B 1 -13.536 0.075 14.261 1.00 6.43 H new ATOM 0 H3 MET B 1 -14.501 1.042 13.253 1.00 6.43 H new ATOM 0 HA MET B 1 -14.034 -1.657 12.347 1.00 5.28 H new ATOM 0 HB2 MET B 1 -15.314 0.078 11.065 1.00 5.47 H new ATOM 0 HB3 MET B 1 -13.824 0.979 10.867 1.00 5.47 H new ATOM 0 HG2 MET B 1 -12.792 -1.090 9.805 1.00 6.03 H new ATOM 0 HG3 MET B 1 -14.366 -1.857 9.881 1.00 6.03 H new ATOM 0 HE1 MET B 1 -15.391 -1.204 6.355 1.00 8.00 H new ATOM 0 HE2 MET B 1 -14.332 -2.326 7.242 1.00 8.00 H new ATOM 0 HE3 MET B 1 -15.923 -1.890 7.909 1.00 8.00 H new ATOM 1517 N GLU B 2 -11.497 0.499 12.102 1.00 2.55 N ATOM 1518 CA GLU B 2 -10.100 0.782 12.463 1.00 2.50 C ATOM 1519 C GLU B 2 -9.089 -0.216 11.896 1.00 2.17 C ATOM 1520 O GLU B 2 -8.375 -0.910 12.618 1.00 2.91 O ATOM 1521 CB GLU B 2 -9.969 1.011 13.977 1.00 4.21 C ATOM 1522 CG GLU B 2 -10.709 2.290 14.410 1.00 4.93 C ATOM 1523 CD GLU B 2 -12.226 2.098 14.412 1.00 4.77 C ATOM 1524 OE1 GLU B 2 -12.753 1.350 15.257 1.00 5.67 O ATOM 1525 OE2 GLU B 2 -12.862 2.437 13.383 1.00 4.58 O ATOM 0 H GLU B 2 -11.938 1.285 11.624 1.00 2.55 H new ATOM 0 HA GLU B 2 -9.827 1.714 11.969 1.00 2.50 H new ATOM 0 HB2 GLU B 2 -10.374 0.153 14.514 1.00 4.21 H new ATOM 0 HB3 GLU B 2 -8.916 1.088 14.247 1.00 4.21 H new ATOM 0 HG2 GLU B 2 -10.379 2.581 15.407 1.00 4.93 H new ATOM 0 HG3 GLU B 2 -10.447 3.106 13.737 1.00 4.93 H new ATOM 1532 N THR B 3 -9.010 -0.241 10.562 1.00 1.49 N ATOM 1533 CA THR B 3 -8.156 -1.187 9.822 1.00 1.38 C ATOM 1534 C THR B 3 -6.671 -0.908 10.069 1.00 1.23 C ATOM 1535 O THR B 3 -6.297 0.269 10.124 1.00 1.29 O ATOM 1536 CB THR B 3 -8.464 -1.201 8.325 1.00 1.77 C ATOM 1537 OG1 THR B 3 -8.486 0.124 7.851 1.00 2.46 O ATOM 1538 CG2 THR B 3 -9.811 -1.861 8.048 1.00 1.88 C ATOM 0 H THR B 3 -9.535 0.393 9.960 1.00 1.49 H new ATOM 0 HA THR B 3 -8.386 -2.180 10.207 1.00 1.38 H new ATOM 0 HB THR B 3 -7.691 -1.775 7.814 1.00 1.77 H new ATOM 0 HG1 THR B 3 -9.334 0.292 7.389 1.00 2.46 H new ATOM 0 HG21 THR B 3 -10.004 -1.857 6.975 1.00 1.88 H new ATOM 0 HG22 THR B 3 -9.794 -2.889 8.410 1.00 1.88 H new ATOM 0 HG23 THR B 3 -10.599 -1.309 8.561 1.00 1.88 H new ATOM 1546 N PRO B 4 -5.824 -1.952 10.188 1.00 1.20 N ATOM 1547 CA PRO B 4 -4.492 -1.852 10.781 1.00 1.13 C ATOM 1548 C PRO B 4 -3.547 -0.954 9.983 1.00 1.09 C ATOM 1549 O PRO B 4 -2.809 -0.178 10.590 1.00 1.09 O ATOM 1550 CB PRO B 4 -3.967 -3.292 10.875 1.00 1.34 C ATOM 1551 CG PRO B 4 -4.761 -4.044 9.810 1.00 1.50 C ATOM 1552 CD PRO B 4 -6.115 -3.342 9.854 1.00 1.37 C ATOM 0 HA PRO B 4 -4.547 -1.378 11.761 1.00 1.13 H new ATOM 0 HB2 PRO B 4 -2.895 -3.340 10.682 1.00 1.34 H new ATOM 0 HB3 PRO B 4 -4.131 -3.713 11.867 1.00 1.34 H new ATOM 0 HG2 PRO B 4 -4.296 -3.968 8.827 1.00 1.50 H new ATOM 0 HG3 PRO B 4 -4.846 -5.106 10.041 1.00 1.50 H new ATOM 0 HD2 PRO B 4 -6.627 -3.416 8.894 1.00 1.37 H new ATOM 0 HD3 PRO B 4 -6.768 -3.796 10.599 1.00 1.37 H new ATOM 1560 N LEU B 5 -3.585 -1.009 8.649 1.00 1.14 N ATOM 1561 CA LEU B 5 -2.769 -0.119 7.825 1.00 1.16 C ATOM 1562 C LEU B 5 -3.250 1.330 7.873 1.00 1.10 C ATOM 1563 O LEU B 5 -2.434 2.242 7.937 1.00 1.13 O ATOM 1564 CB LEU B 5 -2.743 -0.644 6.391 1.00 1.38 C ATOM 1565 CG LEU B 5 -1.961 0.281 5.444 1.00 1.72 C ATOM 1566 CD1 LEU B 5 -0.459 0.344 5.781 1.00 1.92 C ATOM 1567 CD2 LEU B 5 -2.203 -0.131 3.996 1.00 2.28 C ATOM 0 H LEU B 5 -4.169 -1.657 8.121 1.00 1.14 H new ATOM 0 HA LEU B 5 -1.758 -0.114 8.231 1.00 1.16 H new ATOM 0 HB2 LEU B 5 -2.294 -1.637 6.378 1.00 1.38 H new ATOM 0 HB3 LEU B 5 -3.765 -0.752 6.028 1.00 1.38 H new ATOM 0 HG LEU B 5 -2.336 1.295 5.584 1.00 1.72 H new ATOM 0 HD11 LEU B 5 0.043 1.011 5.081 1.00 1.92 H new ATOM 0 HD12 LEU B 5 -0.329 0.719 6.796 1.00 1.92 H new ATOM 0 HD13 LEU B 5 -0.027 -0.654 5.705 1.00 1.92 H new ATOM 0 HD21 LEU B 5 -1.645 0.529 3.332 1.00 2.28 H new ATOM 0 HD22 LEU B 5 -1.870 -1.158 3.850 1.00 2.28 H new ATOM 0 HD23 LEU B 5 -3.267 -0.059 3.770 1.00 2.28 H new ATOM 1579 N GLU B 6 -4.551 1.592 7.934 1.00 1.13 N ATOM 1580 CA GLU B 6 -5.039 2.955 8.172 1.00 1.19 C ATOM 1581 C GLU B 6 -4.672 3.449 9.595 1.00 1.09 C ATOM 1582 O GLU B 6 -4.646 4.632 9.901 1.00 1.39 O ATOM 1583 CB GLU B 6 -6.537 3.009 7.859 1.00 1.35 C ATOM 1584 CG GLU B 6 -7.111 4.426 7.889 1.00 1.93 C ATOM 1585 CD GLU B 6 -6.294 5.468 7.099 1.00 3.00 C ATOM 1586 OE1 GLU B 6 -6.225 5.373 5.853 1.00 4.02 O ATOM 1587 OE2 GLU B 6 -5.693 6.330 7.784 1.00 4.00 O ATOM 0 H GLU B 6 -5.283 0.891 7.824 1.00 1.13 H new ATOM 0 HA GLU B 6 -4.541 3.655 7.501 1.00 1.19 H new ATOM 0 HB2 GLU B 6 -6.711 2.575 6.875 1.00 1.35 H new ATOM 0 HB3 GLU B 6 -7.074 2.392 8.579 1.00 1.35 H new ATOM 0 HG2 GLU B 6 -8.125 4.401 7.490 1.00 1.93 H new ATOM 0 HG3 GLU B 6 -7.184 4.752 8.927 1.00 1.93 H new ATOM 1594 N LYS B 7 -4.347 2.542 10.511 1.00 0.86 N ATOM 1595 CA LYS B 7 -3.679 2.841 11.795 1.00 0.83 C ATOM 1596 C LYS B 7 -2.132 2.916 11.694 1.00 0.95 C ATOM 1597 O LYS B 7 -1.455 3.169 12.699 1.00 1.64 O ATOM 1598 CB LYS B 7 -4.230 1.887 12.872 1.00 0.98 C ATOM 1599 CG LYS B 7 -5.539 2.337 13.565 1.00 1.66 C ATOM 1600 CD LYS B 7 -6.628 2.996 12.689 1.00 2.29 C ATOM 1601 CE LYS B 7 -6.526 4.531 12.702 1.00 3.46 C ATOM 1602 NZ LYS B 7 -7.075 5.139 11.469 1.00 4.55 N ATOM 0 H LYS B 7 -4.542 1.548 10.387 1.00 0.86 H new ATOM 0 HA LYS B 7 -3.925 3.857 12.104 1.00 0.83 H new ATOM 0 HB2 LYS B 7 -4.400 0.912 12.415 1.00 0.98 H new ATOM 0 HB3 LYS B 7 -3.465 1.751 13.636 1.00 0.98 H new ATOM 0 HG2 LYS B 7 -5.980 1.464 14.047 1.00 1.66 H new ATOM 0 HG3 LYS B 7 -5.275 3.039 14.356 1.00 1.66 H new ATOM 0 HD2 LYS B 7 -6.537 2.635 11.665 1.00 2.29 H new ATOM 0 HD3 LYS B 7 -7.613 2.695 13.047 1.00 2.29 H new ATOM 0 HE2 LYS B 7 -7.062 4.922 13.567 1.00 3.46 H new ATOM 0 HE3 LYS B 7 -5.482 4.823 12.815 1.00 3.46 H new ATOM 0 HZ1 LYS B 7 -6.295 5.490 10.878 1.00 4.55 H new ATOM 0 HZ2 LYS B 7 -7.616 4.425 10.941 1.00 4.55 H new ATOM 0 HZ3 LYS B 7 -7.701 5.930 11.721 1.00 4.55 H new ATOM 1616 N ALA B 8 -1.574 2.800 10.483 1.00 0.73 N ATOM 1617 CA ALA B 8 -0.351 3.483 10.052 1.00 0.76 C ATOM 1618 C ALA B 8 -0.646 4.841 9.396 1.00 0.70 C ATOM 1619 O ALA B 8 -0.105 5.839 9.860 1.00 0.71 O ATOM 1620 CB ALA B 8 0.453 2.606 9.082 1.00 0.94 C ATOM 0 H ALA B 8 -1.975 2.209 9.754 1.00 0.73 H new ATOM 0 HA ALA B 8 0.239 3.663 10.950 1.00 0.76 H new ATOM 0 HB1 ALA B 8 1.356 3.135 8.776 1.00 0.94 H new ATOM 0 HB2 ALA B 8 0.728 1.674 9.576 1.00 0.94 H new ATOM 0 HB3 ALA B 8 -0.153 2.385 8.203 1.00 0.94 H new ATOM 1626 N LEU B 9 -1.491 4.919 8.359 1.00 0.70 N ATOM 1627 CA LEU B 9 -1.674 6.151 7.566 1.00 0.64 C ATOM 1628 C LEU B 9 -2.204 7.327 8.401 1.00 0.64 C ATOM 1629 O LEU B 9 -1.529 8.363 8.435 1.00 0.60 O ATOM 1630 CB LEU B 9 -2.553 5.889 6.324 1.00 0.69 C ATOM 1631 CG LEU B 9 -1.810 5.453 5.042 1.00 0.75 C ATOM 1632 CD1 LEU B 9 -0.920 6.572 4.472 1.00 0.99 C ATOM 1633 CD2 LEU B 9 -0.967 4.190 5.258 1.00 0.85 C ATOM 0 H LEU B 9 -2.066 4.137 8.044 1.00 0.70 H new ATOM 0 HA LEU B 9 -0.684 6.450 7.220 1.00 0.64 H new ATOM 0 HB2 LEU B 9 -3.282 5.119 6.576 1.00 0.69 H new ATOM 0 HB3 LEU B 9 -3.113 6.798 6.103 1.00 0.69 H new ATOM 0 HG LEU B 9 -2.592 5.228 4.316 1.00 0.75 H new ATOM 0 HD11 LEU B 9 -0.419 6.216 3.572 1.00 0.99 H new ATOM 0 HD12 LEU B 9 -1.536 7.437 4.227 1.00 0.99 H new ATOM 0 HD13 LEU B 9 -0.174 6.857 5.214 1.00 0.99 H new ATOM 0 HD21 LEU B 9 -0.465 3.924 4.328 1.00 0.85 H new ATOM 0 HD22 LEU B 9 -0.223 4.377 6.032 1.00 0.85 H new ATOM 0 HD23 LEU B 9 -1.614 3.369 5.568 1.00 0.85 H new ATOM 1645 N THR B 10 -3.316 7.168 9.143 1.00 0.81 N ATOM 1646 CA THR B 10 -3.846 8.198 10.064 1.00 0.90 C ATOM 1647 C THR B 10 -2.747 8.757 10.966 1.00 0.82 C ATOM 1648 O THR B 10 -2.632 9.972 11.118 1.00 0.84 O ATOM 1649 CB THR B 10 -4.982 7.624 10.918 1.00 1.07 C ATOM 1650 OG1 THR B 10 -6.112 7.361 10.120 1.00 1.52 O ATOM 1651 CG2 THR B 10 -5.457 8.584 12.013 1.00 1.52 C ATOM 0 H THR B 10 -3.877 6.317 9.122 1.00 0.81 H new ATOM 0 HA THR B 10 -4.236 9.014 9.456 1.00 0.90 H new ATOM 0 HB THR B 10 -4.571 6.722 11.371 1.00 1.07 H new ATOM 0 HG1 THR B 10 -5.847 7.333 9.177 1.00 1.52 H new ATOM 0 HG21 THR B 10 -6.262 8.118 12.581 1.00 1.52 H new ATOM 0 HG22 THR B 10 -4.627 8.814 12.681 1.00 1.52 H new ATOM 0 HG23 THR B 10 -5.821 9.505 11.557 1.00 1.52 H new ATOM 1659 N THR B 11 -1.915 7.874 11.522 1.00 0.76 N ATOM 1660 CA THR B 11 -0.769 8.186 12.385 1.00 0.62 C ATOM 1661 C THR B 11 0.239 9.053 11.624 1.00 0.55 C ATOM 1662 O THR B 11 0.545 10.156 12.070 1.00 0.60 O ATOM 1663 CB THR B 11 -0.158 6.865 12.896 1.00 0.69 C ATOM 1664 OG1 THR B 11 -1.193 5.959 13.229 1.00 1.02 O ATOM 1665 CG2 THR B 11 0.708 7.046 14.137 1.00 0.87 C ATOM 0 H THR B 11 -2.026 6.871 11.376 1.00 0.76 H new ATOM 0 HA THR B 11 -1.084 8.765 13.253 1.00 0.62 H new ATOM 0 HB THR B 11 0.470 6.489 12.089 1.00 0.69 H new ATOM 0 HG1 THR B 11 -0.960 5.063 12.907 1.00 1.02 H new ATOM 0 HG21 THR B 11 1.108 6.080 14.446 1.00 0.87 H new ATOM 0 HG22 THR B 11 1.531 7.724 13.911 1.00 0.87 H new ATOM 0 HG23 THR B 11 0.105 7.464 14.943 1.00 0.87 H new ATOM 1673 N MET B 12 0.652 8.615 10.425 1.00 0.52 N ATOM 1674 CA MET B 12 1.551 9.328 9.504 1.00 0.56 C ATOM 1675 C MET B 12 1.064 10.736 9.143 1.00 0.69 C ATOM 1676 O MET B 12 1.852 11.687 9.172 1.00 0.88 O ATOM 1677 CB MET B 12 1.680 8.494 8.209 1.00 0.57 C ATOM 1678 CG MET B 12 3.120 8.264 7.770 1.00 1.16 C ATOM 1679 SD MET B 12 3.964 6.937 8.663 1.00 2.12 S ATOM 1680 CE MET B 12 4.519 5.923 7.273 1.00 0.86 C ATOM 0 H MET B 12 0.355 7.713 10.054 1.00 0.52 H new ATOM 0 HA MET B 12 2.509 9.448 10.011 1.00 0.56 H new ATOM 0 HB2 MET B 12 1.197 7.529 8.359 1.00 0.57 H new ATOM 0 HB3 MET B 12 1.141 8.999 7.407 1.00 0.57 H new ATOM 0 HG2 MET B 12 3.131 8.034 6.705 1.00 1.16 H new ATOM 0 HG3 MET B 12 3.681 9.189 7.902 1.00 1.16 H new ATOM 0 HE1 MET B 12 5.062 5.056 7.649 1.00 0.86 H new ATOM 0 HE2 MET B 12 3.655 5.589 6.698 1.00 0.86 H new ATOM 0 HE3 MET B 12 5.175 6.512 6.632 1.00 0.86 H new ATOM 1690 N VAL B 13 -0.214 10.864 8.768 1.00 0.70 N ATOM 1691 CA VAL B 13 -0.797 12.146 8.326 1.00 0.87 C ATOM 1692 C VAL B 13 -1.052 13.099 9.500 1.00 0.93 C ATOM 1693 O VAL B 13 -0.993 14.312 9.311 1.00 1.01 O ATOM 1694 CB VAL B 13 -2.062 11.991 7.445 1.00 0.99 C ATOM 1695 CG1 VAL B 13 -1.761 11.135 6.201 1.00 0.97 C ATOM 1696 CG2 VAL B 13 -3.257 11.404 8.192 1.00 0.99 C ATOM 0 H VAL B 13 -0.875 10.087 8.761 1.00 0.70 H new ATOM 0 HA VAL B 13 -0.038 12.594 7.685 1.00 0.87 H new ATOM 0 HB VAL B 13 -2.338 13.002 7.144 1.00 0.99 H new ATOM 0 HG11 VAL B 13 -2.664 11.040 5.598 1.00 0.97 H new ATOM 0 HG12 VAL B 13 -0.979 11.613 5.611 1.00 0.97 H new ATOM 0 HG13 VAL B 13 -1.427 10.145 6.512 1.00 0.97 H new ATOM 0 HG21 VAL B 13 -4.107 11.324 7.514 1.00 0.99 H new ATOM 0 HG22 VAL B 13 -3.000 10.414 8.570 1.00 0.99 H new ATOM 0 HG23 VAL B 13 -3.519 12.054 9.027 1.00 0.99 H new ATOM 1706 N THR B 14 -1.280 12.574 10.718 1.00 0.93 N ATOM 1707 CA THR B 14 -1.430 13.379 11.939 1.00 1.05 C ATOM 1708 C THR B 14 -0.110 14.051 12.294 1.00 1.08 C ATOM 1709 O THR B 14 -0.079 15.272 12.443 1.00 1.41 O ATOM 1710 CB THR B 14 -1.944 12.524 13.102 1.00 1.08 C ATOM 1711 OG1 THR B 14 -3.203 12.014 12.751 1.00 1.23 O ATOM 1712 CG2 THR B 14 -2.145 13.335 14.381 1.00 1.46 C ATOM 0 H THR B 14 -1.366 11.571 10.881 1.00 0.93 H new ATOM 0 HA THR B 14 -2.171 14.156 11.750 1.00 1.05 H new ATOM 0 HB THR B 14 -1.202 11.747 13.286 1.00 1.08 H new ATOM 0 HG1 THR B 14 -3.098 11.339 12.048 1.00 1.23 H new ATOM 0 HG21 THR B 14 -2.510 12.681 15.173 1.00 1.46 H new ATOM 0 HG22 THR B 14 -1.196 13.777 14.684 1.00 1.46 H new ATOM 0 HG23 THR B 14 -2.873 14.126 14.200 1.00 1.46 H new ATOM 1720 N THR B 15 0.981 13.277 12.374 1.00 0.85 N ATOM 1721 CA THR B 15 2.325 13.813 12.643 1.00 0.88 C ATOM 1722 C THR B 15 2.804 14.732 11.531 1.00 0.94 C ATOM 1723 O THR B 15 3.356 15.778 11.834 1.00 1.21 O ATOM 1724 CB THR B 15 3.339 12.702 12.907 1.00 0.84 C ATOM 1725 OG1 THR B 15 3.232 11.722 11.910 1.00 1.60 O ATOM 1726 CG2 THR B 15 3.091 12.031 14.255 1.00 0.95 C ATOM 0 H THR B 15 0.958 12.264 12.255 1.00 0.85 H new ATOM 0 HA THR B 15 2.244 14.410 13.551 1.00 0.88 H new ATOM 0 HB THR B 15 4.331 13.154 12.908 1.00 0.84 H new ATOM 0 HG1 THR B 15 3.824 11.949 11.163 1.00 1.60 H new ATOM 0 HG21 THR B 15 3.830 11.245 14.412 1.00 0.95 H new ATOM 0 HG22 THR B 15 3.174 12.771 15.051 1.00 0.95 H new ATOM 0 HG23 THR B 15 2.091 11.597 14.267 1.00 0.95 H new ATOM 1734 N PHE B 16 2.528 14.432 10.262 1.00 0.78 N ATOM 1735 CA PHE B 16 2.786 15.360 9.152 1.00 0.78 C ATOM 1736 C PHE B 16 2.053 16.698 9.330 1.00 0.85 C ATOM 1737 O PHE B 16 2.648 17.766 9.173 1.00 0.96 O ATOM 1738 CB PHE B 16 2.376 14.669 7.848 1.00 0.67 C ATOM 1739 CG PHE B 16 2.625 15.446 6.571 1.00 0.68 C ATOM 1740 CD1 PHE B 16 1.674 16.376 6.116 1.00 1.97 C ATOM 1741 CD2 PHE B 16 3.775 15.195 5.798 1.00 2.13 C ATOM 1742 CE1 PHE B 16 1.861 17.034 4.893 1.00 2.03 C ATOM 1743 CE2 PHE B 16 3.945 15.825 4.552 1.00 2.10 C ATOM 1744 CZ PHE B 16 2.986 16.746 4.097 1.00 0.76 C ATOM 0 H PHE B 16 2.121 13.543 9.971 1.00 0.78 H new ATOM 0 HA PHE B 16 3.848 15.604 9.129 1.00 0.78 H new ATOM 0 HB2 PHE B 16 2.909 13.720 7.781 1.00 0.67 H new ATOM 0 HB3 PHE B 16 1.313 14.434 7.904 1.00 0.67 H new ATOM 0 HD1 PHE B 16 0.797 16.584 6.711 1.00 1.97 H new ATOM 0 HD2 PHE B 16 4.530 14.515 6.164 1.00 2.13 H new ATOM 0 HE1 PHE B 16 1.139 17.765 4.560 1.00 2.03 H new ATOM 0 HE2 PHE B 16 4.811 15.601 3.946 1.00 2.10 H new ATOM 0 HZ PHE B 16 3.112 17.231 3.140 1.00 0.76 H new ATOM 1754 N HIS B 17 0.767 16.664 9.697 1.00 0.84 N ATOM 1755 CA HIS B 17 -0.010 17.889 9.882 1.00 0.97 C ATOM 1756 C HIS B 17 0.487 18.726 11.082 1.00 1.04 C ATOM 1757 O HIS B 17 0.463 19.955 11.029 1.00 1.35 O ATOM 1758 CB HIS B 17 -1.515 17.579 9.934 1.00 1.05 C ATOM 1759 CG HIS B 17 -2.373 18.784 9.619 1.00 1.54 C ATOM 1760 ND1 HIS B 17 -2.095 20.093 9.952 1.00 3.01 N ATOM 1761 CD2 HIS B 17 -3.521 18.809 8.877 1.00 1.22 C ATOM 1762 CE1 HIS B 17 -3.046 20.877 9.436 1.00 3.18 C ATOM 1763 NE2 HIS B 17 -3.954 20.138 8.771 1.00 2.06 N ATOM 0 H HIS B 17 0.246 15.804 9.871 1.00 0.84 H new ATOM 0 HA HIS B 17 0.150 18.523 9.010 1.00 0.97 H new ATOM 0 HB2 HIS B 17 -1.742 16.782 9.226 1.00 1.05 H new ATOM 0 HB3 HIS B 17 -1.770 17.206 10.926 1.00 1.05 H new ATOM 0 HD1 HIS B 17 -1.296 20.410 10.501 1.00 3.01 H new ATOM 0 HD2 HIS B 17 -4.012 17.949 8.445 1.00 1.22 H new ATOM 0 HE1 HIS B 17 -3.081 21.952 9.538 1.00 3.18 H new ATOM 1772 N LYS B 18 1.040 18.088 12.122 1.00 0.88 N ATOM 1773 CA LYS B 18 1.683 18.753 13.266 1.00 1.01 C ATOM 1774 C LYS B 18 2.866 19.678 12.884 1.00 1.16 C ATOM 1775 O LYS B 18 3.317 20.456 13.723 1.00 1.48 O ATOM 1776 CB LYS B 18 2.054 17.657 14.280 1.00 0.94 C ATOM 1777 CG LYS B 18 2.672 18.152 15.593 1.00 1.78 C ATOM 1778 CD LYS B 18 2.754 16.997 16.598 1.00 2.20 C ATOM 1779 CE LYS B 18 3.613 17.361 17.813 1.00 3.38 C ATOM 1780 NZ LYS B 18 5.055 17.311 17.481 1.00 4.40 N ATOM 0 H LYS B 18 1.054 17.071 12.194 1.00 0.88 H new ATOM 0 HA LYS B 18 0.981 19.455 13.717 1.00 1.01 H new ATOM 0 HB2 LYS B 18 1.156 17.085 14.515 1.00 0.94 H new ATOM 0 HB3 LYS B 18 2.755 16.970 13.806 1.00 0.94 H new ATOM 0 HG2 LYS B 18 3.667 18.556 15.407 1.00 1.78 H new ATOM 0 HG3 LYS B 18 2.071 18.963 16.005 1.00 1.78 H new ATOM 0 HD2 LYS B 18 1.750 16.731 16.929 1.00 2.20 H new ATOM 0 HD3 LYS B 18 3.171 16.117 16.108 1.00 2.20 H new ATOM 0 HE2 LYS B 18 3.351 18.360 18.161 1.00 3.38 H new ATOM 0 HE3 LYS B 18 3.401 16.673 18.631 1.00 3.38 H new ATOM 0 HZ1 LYS B 18 5.615 17.394 18.353 1.00 4.40 H new ATOM 0 HZ2 LYS B 18 5.273 16.407 17.014 1.00 4.40 H new ATOM 0 HZ3 LYS B 18 5.292 18.097 16.842 1.00 4.40 H new ATOM 1794 N TYR B 19 3.349 19.634 11.633 1.00 1.01 N ATOM 1795 CA TYR B 19 4.372 20.544 11.096 1.00 1.03 C ATOM 1796 C TYR B 19 3.951 21.289 9.816 1.00 1.14 C ATOM 1797 O TYR B 19 4.398 22.418 9.626 1.00 1.67 O ATOM 1798 CB TYR B 19 5.673 19.762 10.884 1.00 1.07 C ATOM 1799 CG TYR B 19 6.239 19.211 12.176 1.00 1.06 C ATOM 1800 CD1 TYR B 19 5.759 17.986 12.671 1.00 1.55 C ATOM 1801 CD2 TYR B 19 7.213 19.921 12.900 1.00 2.39 C ATOM 1802 CE1 TYR B 19 6.232 17.462 13.884 1.00 1.53 C ATOM 1803 CE2 TYR B 19 7.676 19.419 14.132 1.00 2.44 C ATOM 1804 CZ TYR B 19 7.172 18.199 14.636 1.00 1.12 C ATOM 1805 OH TYR B 19 7.591 17.747 15.847 1.00 1.23 O ATOM 0 H TYR B 19 3.031 18.947 10.950 1.00 1.01 H new ATOM 0 HA TYR B 19 4.519 21.332 11.835 1.00 1.03 H new ATOM 0 HB2 TYR B 19 5.490 18.940 10.192 1.00 1.07 H new ATOM 0 HB3 TYR B 19 6.412 20.413 10.417 1.00 1.07 H new ATOM 0 HD1 TYR B 19 5.015 17.440 12.110 1.00 1.55 H new ATOM 0 HD2 TYR B 19 7.605 20.849 12.512 1.00 2.39 H new ATOM 0 HE1 TYR B 19 5.880 16.504 14.239 1.00 1.53 H new ATOM 0 HE2 TYR B 19 8.418 19.968 14.693 1.00 2.44 H new ATOM 0 HH TYR B 19 8.239 18.378 16.225 1.00 1.23 H new ATOM 1815 N SER B 20 3.053 20.755 8.977 1.00 1.02 N ATOM 1816 CA SER B 20 2.434 21.530 7.875 1.00 1.06 C ATOM 1817 C SER B 20 1.564 22.684 8.404 1.00 1.43 C ATOM 1818 O SER B 20 1.667 23.823 7.949 1.00 2.02 O ATOM 1819 CB SER B 20 1.625 20.611 6.938 1.00 0.93 C ATOM 1820 OG SER B 20 0.365 20.212 7.462 1.00 1.51 O ATOM 0 H SER B 20 2.734 19.788 9.035 1.00 1.02 H new ATOM 0 HA SER B 20 3.244 21.975 7.297 1.00 1.06 H new ATOM 0 HB2 SER B 20 1.466 21.126 5.990 1.00 0.93 H new ATOM 0 HB3 SER B 20 2.215 19.720 6.722 1.00 0.93 H new ATOM 0 HG SER B 20 -0.233 19.967 6.725 1.00 1.51 H new ATOM 1826 N GLY B 21 0.798 22.419 9.474 1.00 1.42 N ATOM 1827 CA GLY B 21 -0.122 23.357 10.125 1.00 1.81 C ATOM 1828 C GLY B 21 0.550 24.506 10.881 1.00 2.16 C ATOM 1829 O GLY B 21 -0.130 25.204 11.626 1.00 2.50 O ATOM 0 H GLY B 21 0.805 21.505 9.926 1.00 1.42 H new ATOM 0 HA2 GLY B 21 -0.783 23.778 9.368 1.00 1.81 H new ATOM 0 HA3 GLY B 21 -0.749 22.802 10.822 1.00 1.81 H new ATOM 1832 N ARG B 22 1.862 24.716 10.699 1.00 2.32 N ATOM 1833 CA ARG B 22 2.545 25.972 11.044 1.00 2.66 C ATOM 1834 C ARG B 22 2.076 27.151 10.171 1.00 2.56 C ATOM 1835 O ARG B 22 2.266 28.292 10.572 1.00 3.21 O ATOM 1836 CB ARG B 22 4.066 25.791 10.895 1.00 2.99 C ATOM 1837 CG ARG B 22 4.647 24.930 12.023 1.00 2.94 C ATOM 1838 CD ARG B 22 6.160 24.747 11.870 1.00 3.20 C ATOM 1839 NE ARG B 22 6.697 23.993 13.016 1.00 3.42 N ATOM 1840 CZ ARG B 22 7.970 23.710 13.268 1.00 4.54 C ATOM 1841 NH1 ARG B 22 8.962 24.030 12.469 1.00 5.37 N ATOM 1842 NH2 ARG B 22 8.276 23.063 14.370 1.00 5.62 N ATOM 0 H ARG B 22 2.485 24.012 10.304 1.00 2.32 H new ATOM 0 HA ARG B 22 2.293 26.209 12.077 1.00 2.66 H new ATOM 0 HB2 ARG B 22 4.285 25.327 9.933 1.00 2.99 H new ATOM 0 HB3 ARG B 22 4.551 26.767 10.896 1.00 2.99 H new ATOM 0 HG2 ARG B 22 4.432 25.396 12.985 1.00 2.94 H new ATOM 0 HG3 ARG B 22 4.160 23.955 12.025 1.00 2.94 H new ATOM 0 HD2 ARG B 22 6.378 24.218 10.942 1.00 3.20 H new ATOM 0 HD3 ARG B 22 6.647 25.720 11.804 1.00 3.20 H new ATOM 0 HE ARG B 22 6.015 23.650 13.692 1.00 3.42 H new ATOM 0 HH11 ARG B 22 8.775 24.525 11.597 1.00 5.37 H new ATOM 0 HH12 ARG B 22 9.919 23.784 12.721 1.00 5.37 H new ATOM 0 HH21 ARG B 22 7.540 22.785 15.019 1.00 5.62 H new ATOM 0 HH22 ARG B 22 9.249 22.839 14.576 1.00 5.62 H new ATOM 1856 N GLU B 23 1.481 26.868 9.012 1.00 2.02 N ATOM 1857 CA GLU B 23 0.877 27.819 8.077 1.00 2.19 C ATOM 1858 C GLU B 23 -0.380 27.178 7.452 1.00 2.17 C ATOM 1859 O GLU B 23 -0.754 26.058 7.813 1.00 2.81 O ATOM 1860 CB GLU B 23 1.926 28.222 7.011 1.00 2.75 C ATOM 1861 CG GLU B 23 2.419 29.668 7.178 1.00 3.86 C ATOM 1862 CD GLU B 23 1.370 30.732 6.827 1.00 5.25 C ATOM 1863 OE1 GLU B 23 0.207 30.358 6.551 1.00 6.20 O ATOM 1864 OE2 GLU B 23 1.759 31.921 6.828 1.00 6.19 O ATOM 0 H GLU B 23 1.403 25.907 8.679 1.00 2.02 H new ATOM 0 HA GLU B 23 0.566 28.729 8.591 1.00 2.19 H new ATOM 0 HB2 GLU B 23 2.777 27.544 7.071 1.00 2.75 H new ATOM 0 HB3 GLU B 23 1.492 28.103 6.018 1.00 2.75 H new ATOM 0 HG2 GLU B 23 2.739 29.815 8.210 1.00 3.86 H new ATOM 0 HG3 GLU B 23 3.296 29.816 6.548 1.00 3.86 H new ATOM 1871 N GLY B 24 -1.033 27.855 6.499 1.00 2.57 N ATOM 1872 CA GLY B 24 -2.247 27.378 5.814 1.00 2.97 C ATOM 1873 C GLY B 24 -2.035 26.204 4.845 1.00 2.17 C ATOM 1874 O GLY B 24 -3.015 25.642 4.359 1.00 2.67 O ATOM 0 H GLY B 24 -0.727 28.772 6.173 1.00 2.57 H new ATOM 0 HA2 GLY B 24 -2.976 27.079 6.567 1.00 2.97 H new ATOM 0 HA3 GLY B 24 -2.683 28.210 5.261 1.00 2.97 H new ATOM 1877 N SER B 25 -0.788 25.823 4.576 1.00 1.87 N ATOM 1878 CA SER B 25 -0.368 24.677 3.750 1.00 1.89 C ATOM 1879 C SER B 25 -0.754 23.305 4.337 1.00 1.53 C ATOM 1880 O SER B 25 0.101 22.468 4.609 1.00 1.73 O ATOM 1881 CB SER B 25 1.156 24.719 3.546 1.00 2.95 C ATOM 1882 OG SER B 25 1.569 25.787 2.722 1.00 4.05 O ATOM 0 H SER B 25 0.012 26.334 4.949 1.00 1.87 H new ATOM 0 HA SER B 25 -0.901 24.777 2.804 1.00 1.89 H new ATOM 0 HB2 SER B 25 1.645 24.805 4.516 1.00 2.95 H new ATOM 0 HB3 SER B 25 1.485 23.778 3.105 1.00 2.95 H new ATOM 0 HG SER B 25 2.262 25.474 2.104 1.00 4.05 H new ATOM 1888 N LYS B 26 -2.034 22.979 4.561 1.00 1.43 N ATOM 1889 CA LYS B 26 -2.372 21.793 5.368 1.00 1.27 C ATOM 1890 C LYS B 26 -1.812 20.461 4.809 1.00 1.23 C ATOM 1891 O LYS B 26 -1.517 19.552 5.589 1.00 1.45 O ATOM 1892 CB LYS B 26 -3.890 21.763 5.621 1.00 1.40 C ATOM 1893 CG LYS B 26 -4.304 22.869 6.614 1.00 1.68 C ATOM 1894 CD LYS B 26 -5.732 22.685 7.139 1.00 1.65 C ATOM 1895 CE LYS B 26 -6.772 23.073 6.085 1.00 1.64 C ATOM 1896 NZ LYS B 26 -8.126 22.606 6.450 1.00 2.21 N ATOM 0 H LYS B 26 -2.835 23.502 4.207 1.00 1.43 H new ATOM 0 HA LYS B 26 -1.862 21.889 6.327 1.00 1.27 H new ATOM 0 HB2 LYS B 26 -4.422 21.896 4.679 1.00 1.40 H new ATOM 0 HB3 LYS B 26 -4.178 20.788 6.015 1.00 1.40 H new ATOM 0 HG2 LYS B 26 -3.610 22.876 7.454 1.00 1.68 H new ATOM 0 HG3 LYS B 26 -4.223 23.840 6.125 1.00 1.68 H new ATOM 0 HD2 LYS B 26 -5.881 21.646 7.434 1.00 1.65 H new ATOM 0 HD3 LYS B 26 -5.873 23.293 8.032 1.00 1.65 H new ATOM 0 HE2 LYS B 26 -6.781 24.156 5.966 1.00 1.64 H new ATOM 0 HE3 LYS B 26 -6.489 22.649 5.122 1.00 1.64 H new ATOM 0 HZ1 LYS B 26 -8.747 22.657 5.617 1.00 2.21 H new ATOM 0 HZ2 LYS B 26 -8.076 21.623 6.785 1.00 2.21 H new ATOM 0 HZ3 LYS B 26 -8.510 23.210 7.205 1.00 2.21 H new ATOM 1910 N LEU B 27 -1.569 20.347 3.495 1.00 1.17 N ATOM 1911 CA LEU B 27 -1.059 19.130 2.841 1.00 1.14 C ATOM 1912 C LEU B 27 0.425 19.156 2.429 1.00 0.96 C ATOM 1913 O LEU B 27 0.897 18.153 1.894 1.00 0.97 O ATOM 1914 CB LEU B 27 -1.940 18.833 1.622 1.00 1.39 C ATOM 1915 CG LEU B 27 -3.428 18.582 1.933 1.00 1.79 C ATOM 1916 CD1 LEU B 27 -4.046 18.107 0.618 1.00 2.05 C ATOM 1917 CD2 LEU B 27 -3.675 17.538 3.034 1.00 2.49 C ATOM 0 H LEU B 27 -1.725 21.115 2.842 1.00 1.17 H new ATOM 0 HA LEU B 27 -1.111 18.342 3.592 1.00 1.14 H new ATOM 0 HB2 LEU B 27 -1.867 19.670 0.928 1.00 1.39 H new ATOM 0 HB3 LEU B 27 -1.540 17.958 1.109 1.00 1.39 H new ATOM 0 HG LEU B 27 -3.873 19.500 2.317 1.00 1.79 H new ATOM 0 HD11 LEU B 27 -5.108 17.909 0.766 1.00 2.05 H new ATOM 0 HD12 LEU B 27 -3.923 18.879 -0.142 1.00 2.05 H new ATOM 0 HD13 LEU B 27 -3.548 17.194 0.291 1.00 2.05 H new ATOM 0 HD21 LEU B 27 -4.747 17.421 3.191 1.00 2.49 H new ATOM 0 HD22 LEU B 27 -3.246 16.582 2.732 1.00 2.49 H new ATOM 0 HD23 LEU B 27 -3.207 17.869 3.961 1.00 2.49 H new ATOM 1929 N THR B 28 1.147 20.248 2.700 1.00 0.90 N ATOM 1930 CA THR B 28 2.569 20.433 2.329 1.00 0.78 C ATOM 1931 C THR B 28 3.385 21.170 3.396 1.00 0.88 C ATOM 1932 O THR B 28 2.849 21.938 4.184 1.00 1.19 O ATOM 1933 CB THR B 28 2.680 21.159 0.986 1.00 0.76 C ATOM 1934 OG1 THR B 28 1.831 22.280 0.949 1.00 0.91 O ATOM 1935 CG2 THR B 28 2.333 20.257 -0.199 1.00 0.80 C ATOM 0 H THR B 28 0.758 21.051 3.194 1.00 0.90 H new ATOM 0 HA THR B 28 2.996 19.434 2.245 1.00 0.78 H new ATOM 0 HB THR B 28 3.722 21.467 0.898 1.00 0.76 H new ATOM 0 HG1 THR B 28 2.370 23.099 0.958 1.00 0.91 H new ATOM 0 HG21 THR B 28 2.428 20.822 -1.126 1.00 0.80 H new ATOM 0 HG22 THR B 28 3.014 19.407 -0.221 1.00 0.80 H new ATOM 0 HG23 THR B 28 1.309 19.899 -0.096 1.00 0.80 H new ATOM 1943 N LEU B 29 4.699 20.924 3.457 1.00 0.75 N ATOM 1944 CA LEU B 29 5.609 21.498 4.468 1.00 0.82 C ATOM 1945 C LEU B 29 7.034 21.689 3.926 1.00 0.86 C ATOM 1946 O LEU B 29 7.435 20.990 3.007 1.00 0.92 O ATOM 1947 CB LEU B 29 5.569 20.642 5.760 1.00 0.83 C ATOM 1948 CG LEU B 29 6.437 19.359 5.814 1.00 0.86 C ATOM 1949 CD1 LEU B 29 6.122 18.605 7.117 1.00 1.04 C ATOM 1950 CD2 LEU B 29 6.208 18.385 4.653 1.00 0.90 C ATOM 0 H LEU B 29 5.173 20.310 2.795 1.00 0.75 H new ATOM 0 HA LEU B 29 5.259 22.500 4.718 1.00 0.82 H new ATOM 0 HB2 LEU B 29 5.866 21.280 6.592 1.00 0.83 H new ATOM 0 HB3 LEU B 29 4.533 20.351 5.935 1.00 0.83 H new ATOM 0 HG LEU B 29 7.472 19.696 5.752 1.00 0.86 H new ATOM 0 HD11 LEU B 29 6.726 17.699 7.168 1.00 1.04 H new ATOM 0 HD12 LEU B 29 6.351 19.243 7.971 1.00 1.04 H new ATOM 0 HD13 LEU B 29 5.065 18.338 7.136 1.00 1.04 H new ATOM 0 HD21 LEU B 29 6.857 17.517 4.773 1.00 0.90 H new ATOM 0 HD22 LEU B 29 5.167 18.062 4.649 1.00 0.90 H new ATOM 0 HD23 LEU B 29 6.437 18.882 3.710 1.00 0.90 H new ATOM 1962 N SER B 30 7.820 22.629 4.458 1.00 0.93 N ATOM 1963 CA SER B 30 9.191 22.843 3.962 1.00 1.03 C ATOM 1964 C SER B 30 10.135 21.672 4.294 1.00 0.96 C ATOM 1965 O SER B 30 9.968 20.943 5.277 1.00 0.89 O ATOM 1966 CB SER B 30 9.785 24.210 4.383 1.00 1.27 C ATOM 1967 OG SER B 30 11.207 24.203 4.309 1.00 2.91 O ATOM 0 H SER B 30 7.541 23.247 5.220 1.00 0.93 H new ATOM 0 HA SER B 30 9.104 22.873 2.876 1.00 1.03 H new ATOM 0 HB2 SER B 30 9.389 24.995 3.738 1.00 1.27 H new ATOM 0 HB3 SER B 30 9.473 24.446 5.400 1.00 1.27 H new ATOM 0 HG SER B 30 11.542 25.122 4.366 1.00 2.91 H new ATOM 1973 N ARG B 31 11.210 21.540 3.504 1.00 1.05 N ATOM 1974 CA ARG B 31 12.383 20.733 3.856 1.00 0.97 C ATOM 1975 C ARG B 31 12.802 20.883 5.330 1.00 0.78 C ATOM 1976 O ARG B 31 13.223 19.901 5.945 1.00 0.85 O ATOM 1977 CB ARG B 31 13.618 21.087 3.011 1.00 1.23 C ATOM 1978 CG ARG B 31 13.451 21.745 1.633 1.00 1.33 C ATOM 1979 CD ARG B 31 13.012 20.747 0.569 1.00 1.08 C ATOM 1980 NE ARG B 31 14.123 19.834 0.216 1.00 1.73 N ATOM 1981 CZ ARG B 31 14.019 18.639 -0.356 1.00 2.04 C ATOM 1982 NH1 ARG B 31 12.872 18.164 -0.781 1.00 2.23 N ATOM 1983 NH2 ARG B 31 15.084 17.889 -0.496 1.00 2.92 N ATOM 0 H ARG B 31 11.289 21.995 2.595 1.00 1.05 H new ATOM 0 HA ARG B 31 12.062 19.710 3.660 1.00 0.97 H new ATOM 0 HB2 ARG B 31 14.241 21.750 3.612 1.00 1.23 H new ATOM 0 HB3 ARG B 31 14.182 20.166 2.863 1.00 1.23 H new ATOM 0 HG2 ARG B 31 12.716 22.547 1.702 1.00 1.33 H new ATOM 0 HG3 ARG B 31 14.394 22.202 1.333 1.00 1.33 H new ATOM 0 HD2 ARG B 31 12.162 20.170 0.934 1.00 1.08 H new ATOM 0 HD3 ARG B 31 12.677 21.280 -0.320 1.00 1.08 H new ATOM 0 HE ARG B 31 15.066 20.156 0.435 1.00 1.73 H new ATOM 0 HH11 ARG B 31 12.021 18.717 -0.677 1.00 2.23 H new ATOM 0 HH12 ARG B 31 12.831 17.242 -1.215 1.00 2.23 H new ATOM 0 HH21 ARG B 31 15.990 18.223 -0.166 1.00 2.92 H new ATOM 0 HH22 ARG B 31 15.007 16.971 -0.935 1.00 2.92 H new ATOM 1997 N LYS B 32 12.725 22.091 5.914 1.00 0.75 N ATOM 1998 CA LYS B 32 13.097 22.298 7.317 1.00 0.78 C ATOM 1999 C LYS B 32 12.089 21.668 8.296 1.00 0.76 C ATOM 2000 O LYS B 32 12.502 20.849 9.120 1.00 0.97 O ATOM 2001 CB LYS B 32 13.414 23.777 7.601 1.00 0.94 C ATOM 2002 CG LYS B 32 14.853 23.854 8.141 1.00 1.59 C ATOM 2003 CD LYS B 32 15.301 25.279 8.464 1.00 2.09 C ATOM 2004 CE LYS B 32 16.793 25.308 8.839 1.00 3.34 C ATOM 2005 NZ LYS B 32 17.665 25.123 7.651 1.00 4.45 N ATOM 0 H LYS B 32 12.409 22.934 5.435 1.00 0.75 H new ATOM 0 HA LYS B 32 14.025 21.755 7.498 1.00 0.78 H new ATOM 0 HB2 LYS B 32 13.315 24.370 6.692 1.00 0.94 H new ATOM 0 HB3 LYS B 32 12.711 24.186 8.327 1.00 0.94 H new ATOM 0 HG2 LYS B 32 14.929 23.244 9.041 1.00 1.59 H new ATOM 0 HG3 LYS B 32 15.533 23.424 7.406 1.00 1.59 H new ATOM 0 HD2 LYS B 32 15.124 25.925 7.604 1.00 2.09 H new ATOM 0 HD3 LYS B 32 14.706 25.675 9.287 1.00 2.09 H new ATOM 0 HE2 LYS B 32 17.029 26.258 9.318 1.00 3.34 H new ATOM 0 HE3 LYS B 32 17.000 24.524 9.567 1.00 3.34 H new ATOM 0 HZ1 LYS B 32 18.366 24.381 7.847 1.00 4.45 H new ATOM 0 HZ2 LYS B 32 17.085 24.844 6.834 1.00 4.45 H new ATOM 0 HZ3 LYS B 32 18.155 26.015 7.438 1.00 4.45 H new ATOM 2019 N GLU B 33 10.794 21.940 8.126 1.00 0.67 N ATOM 2020 CA GLU B 33 9.698 21.272 8.836 1.00 0.78 C ATOM 2021 C GLU B 33 9.807 19.741 8.786 1.00 0.71 C ATOM 2022 O GLU B 33 9.731 19.112 9.838 1.00 0.72 O ATOM 2023 CB GLU B 33 8.345 21.714 8.246 1.00 1.11 C ATOM 2024 CG GLU B 33 7.748 22.957 8.913 1.00 1.39 C ATOM 2025 CD GLU B 33 8.655 24.184 8.864 1.00 2.63 C ATOM 2026 OE1 GLU B 33 9.398 24.325 7.862 1.00 4.10 O ATOM 2027 OE2 GLU B 33 8.637 24.939 9.861 1.00 2.88 O ATOM 0 H GLU B 33 10.468 22.651 7.472 1.00 0.67 H new ATOM 0 HA GLU B 33 9.768 21.568 9.883 1.00 0.78 H new ATOM 0 HB2 GLU B 33 8.472 21.912 7.182 1.00 1.11 H new ATOM 0 HB3 GLU B 33 7.636 20.891 8.335 1.00 1.11 H new ATOM 0 HG2 GLU B 33 6.802 23.198 8.428 1.00 1.39 H new ATOM 0 HG3 GLU B 33 7.523 22.725 9.954 1.00 1.39 H new ATOM 2034 N LEU B 34 10.061 19.132 7.619 1.00 0.69 N ATOM 2035 CA LEU B 34 10.200 17.676 7.491 1.00 0.68 C ATOM 2036 C LEU B 34 11.370 17.118 8.313 1.00 0.63 C ATOM 2037 O LEU B 34 11.205 16.138 9.049 1.00 0.59 O ATOM 2038 CB LEU B 34 10.324 17.276 6.006 1.00 0.74 C ATOM 2039 CG LEU B 34 10.529 15.751 5.811 1.00 0.79 C ATOM 2040 CD1 LEU B 34 9.365 14.934 6.377 1.00 1.04 C ATOM 2041 CD2 LEU B 34 10.682 15.364 4.337 1.00 1.08 C ATOM 0 H LEU B 34 10.176 19.635 6.739 1.00 0.69 H new ATOM 0 HA LEU B 34 9.295 17.229 7.902 1.00 0.68 H new ATOM 0 HB2 LEU B 34 9.426 17.588 5.474 1.00 0.74 H new ATOM 0 HB3 LEU B 34 11.162 17.811 5.559 1.00 0.74 H new ATOM 0 HG LEU B 34 11.447 15.523 6.352 1.00 0.79 H new ATOM 0 HD11 LEU B 34 9.554 13.872 6.217 1.00 1.04 H new ATOM 0 HD12 LEU B 34 9.269 15.129 7.445 1.00 1.04 H new ATOM 0 HD13 LEU B 34 8.442 15.218 5.872 1.00 1.04 H new ATOM 0 HD21 LEU B 34 10.823 14.286 4.257 1.00 1.08 H new ATOM 0 HD22 LEU B 34 9.785 15.655 3.790 1.00 1.08 H new ATOM 0 HD23 LEU B 34 11.547 15.875 3.914 1.00 1.08 H new ATOM 2053 N LYS B 35 12.566 17.714 8.210 1.00 0.71 N ATOM 2054 CA LYS B 35 13.710 17.228 8.988 1.00 0.78 C ATOM 2055 C LYS B 35 13.494 17.453 10.491 1.00 0.71 C ATOM 2056 O LYS B 35 13.963 16.660 11.311 1.00 0.72 O ATOM 2057 CB LYS B 35 15.047 17.787 8.456 1.00 1.09 C ATOM 2058 CG LYS B 35 15.606 19.006 9.212 1.00 1.00 C ATOM 2059 CD LYS B 35 17.037 19.338 8.779 1.00 1.40 C ATOM 2060 CE LYS B 35 18.063 18.419 9.479 1.00 2.22 C ATOM 2061 NZ LYS B 35 19.406 18.476 8.845 1.00 3.25 N ATOM 0 H LYS B 35 12.763 18.515 7.610 1.00 0.71 H new ATOM 0 HA LYS B 35 13.780 16.149 8.854 1.00 0.78 H new ATOM 0 HB2 LYS B 35 15.791 16.991 8.486 1.00 1.09 H new ATOM 0 HB3 LYS B 35 14.915 18.060 7.409 1.00 1.09 H new ATOM 0 HG2 LYS B 35 14.964 19.869 9.036 1.00 1.00 H new ATOM 0 HG3 LYS B 35 15.587 18.809 10.284 1.00 1.00 H new ATOM 0 HD2 LYS B 35 17.127 19.230 7.698 1.00 1.40 H new ATOM 0 HD3 LYS B 35 17.258 20.379 9.014 1.00 1.40 H new ATOM 0 HE2 LYS B 35 18.147 18.707 10.527 1.00 2.22 H new ATOM 0 HE3 LYS B 35 17.699 17.392 9.459 1.00 2.22 H new ATOM 0 HZ1 LYS B 35 20.033 17.780 9.297 1.00 3.25 H new ATOM 0 HZ2 LYS B 35 19.321 18.258 7.832 1.00 3.25 H new ATOM 0 HZ3 LYS B 35 19.805 19.429 8.962 1.00 3.25 H new ATOM 2075 N GLU B 36 12.784 18.515 10.875 1.00 0.72 N ATOM 2076 CA GLU B 36 12.404 18.714 12.266 1.00 0.74 C ATOM 2077 C GLU B 36 11.404 17.636 12.709 1.00 0.66 C ATOM 2078 O GLU B 36 11.662 16.987 13.724 1.00 0.73 O ATOM 2079 CB GLU B 36 11.853 20.124 12.500 1.00 0.86 C ATOM 2080 CG GLU B 36 11.997 20.463 13.991 1.00 1.15 C ATOM 2081 CD GLU B 36 11.034 21.554 14.419 1.00 2.28 C ATOM 2082 OE1 GLU B 36 10.983 22.600 13.742 1.00 3.65 O ATOM 2083 OE2 GLU B 36 10.295 21.322 15.400 1.00 3.23 O ATOM 0 H GLU B 36 12.463 19.247 10.241 1.00 0.72 H new ATOM 0 HA GLU B 36 13.299 18.616 12.880 1.00 0.74 H new ATOM 0 HB2 GLU B 36 12.396 20.848 11.893 1.00 0.86 H new ATOM 0 HB3 GLU B 36 10.807 20.176 12.199 1.00 0.86 H new ATOM 0 HG2 GLU B 36 11.818 19.567 14.586 1.00 1.15 H new ATOM 0 HG3 GLU B 36 13.020 20.781 14.194 1.00 1.15 H new ATOM 2090 N LEU B 37 10.345 17.400 11.924 1.00 0.59 N ATOM 2091 CA LEU B 37 9.279 16.418 12.137 1.00 0.58 C ATOM 2092 C LEU B 37 9.845 15.036 12.433 1.00 0.57 C ATOM 2093 O LEU B 37 9.641 14.512 13.530 1.00 0.60 O ATOM 2094 CB LEU B 37 8.351 16.437 10.891 1.00 0.61 C ATOM 2095 CG LEU B 37 7.506 15.190 10.544 1.00 0.71 C ATOM 2096 CD1 LEU B 37 6.630 14.643 11.670 1.00 1.06 C ATOM 2097 CD2 LEU B 37 6.627 15.498 9.324 1.00 1.13 C ATOM 0 H LEU B 37 10.202 17.929 11.063 1.00 0.59 H new ATOM 0 HA LEU B 37 8.692 16.681 13.017 1.00 0.58 H new ATOM 0 HB2 LEU B 37 7.662 17.273 11.011 1.00 0.61 H new ATOM 0 HB3 LEU B 37 8.974 16.659 10.025 1.00 0.61 H new ATOM 0 HG LEU B 37 8.232 14.403 10.342 1.00 0.71 H new ATOM 0 HD11 LEU B 37 6.083 13.770 11.314 1.00 1.06 H new ATOM 0 HD12 LEU B 37 7.258 14.358 12.514 1.00 1.06 H new ATOM 0 HD13 LEU B 37 5.923 15.410 11.986 1.00 1.06 H new ATOM 0 HD21 LEU B 37 6.029 14.621 9.076 1.00 1.13 H new ATOM 0 HD22 LEU B 37 5.967 16.334 9.553 1.00 1.13 H new ATOM 0 HD23 LEU B 37 7.260 15.758 8.476 1.00 1.13 H new ATOM 2109 N ILE B 38 10.604 14.480 11.485 1.00 0.64 N ATOM 2110 CA ILE B 38 11.161 13.127 11.619 1.00 0.76 C ATOM 2111 C ILE B 38 11.985 13.024 12.900 1.00 0.82 C ATOM 2112 O ILE B 38 11.729 12.133 13.694 1.00 1.17 O ATOM 2113 CB ILE B 38 11.916 12.704 10.336 1.00 0.86 C ATOM 2114 CG1 ILE B 38 10.902 12.539 9.179 1.00 1.27 C ATOM 2115 CG2 ILE B 38 12.721 11.409 10.565 1.00 1.24 C ATOM 2116 CD1 ILE B 38 11.528 12.166 7.831 1.00 1.62 C ATOM 0 H ILE B 38 10.849 14.947 10.612 1.00 0.64 H new ATOM 0 HA ILE B 38 10.352 12.403 11.720 1.00 0.76 H new ATOM 0 HB ILE B 38 12.633 13.481 10.071 1.00 0.86 H new ATOM 0 HG12 ILE B 38 10.179 11.771 9.454 1.00 1.27 H new ATOM 0 HG13 ILE B 38 10.349 13.471 9.062 1.00 1.27 H new ATOM 0 HG21 ILE B 38 13.241 11.136 9.646 1.00 1.24 H new ATOM 0 HG22 ILE B 38 13.449 11.569 11.360 1.00 1.24 H new ATOM 0 HG23 ILE B 38 12.043 10.605 10.850 1.00 1.24 H new ATOM 0 HD11 ILE B 38 10.744 12.071 7.080 1.00 1.62 H new ATOM 0 HD12 ILE B 38 12.229 12.943 7.528 1.00 1.62 H new ATOM 0 HD13 ILE B 38 12.057 11.217 7.925 1.00 1.62 H new ATOM 2128 N LYS B 39 12.900 13.955 13.187 1.00 0.87 N ATOM 2129 CA LYS B 39 13.741 13.874 14.386 1.00 1.03 C ATOM 2130 C LYS B 39 13.134 14.465 15.683 1.00 1.04 C ATOM 2131 O LYS B 39 13.872 14.704 16.639 1.00 1.39 O ATOM 2132 CB LYS B 39 15.176 14.296 14.026 1.00 1.60 C ATOM 2133 CG LYS B 39 15.939 12.969 13.880 1.00 2.11 C ATOM 2134 CD LYS B 39 17.342 13.057 13.328 1.00 2.17 C ATOM 2135 CE LYS B 39 18.314 13.746 14.284 1.00 2.22 C ATOM 2136 NZ LYS B 39 19.715 13.391 13.971 1.00 3.40 N ATOM 0 H LYS B 39 13.077 14.774 12.605 1.00 0.87 H new ATOM 0 HA LYS B 39 13.789 12.831 14.700 1.00 1.03 H new ATOM 0 HB2 LYS B 39 15.201 14.872 13.101 1.00 1.60 H new ATOM 0 HB3 LYS B 39 15.613 14.922 14.804 1.00 1.60 H new ATOM 0 HG2 LYS B 39 15.987 12.493 14.859 1.00 2.11 H new ATOM 0 HG3 LYS B 39 15.358 12.311 13.234 1.00 2.11 H new ATOM 0 HD2 LYS B 39 17.705 12.053 13.110 1.00 2.17 H new ATOM 0 HD3 LYS B 39 17.322 13.601 12.384 1.00 2.17 H new ATOM 0 HE2 LYS B 39 18.187 14.827 14.219 1.00 2.22 H new ATOM 0 HE3 LYS B 39 18.084 13.459 15.310 1.00 2.22 H new ATOM 0 HZ1 LYS B 39 20.352 13.873 14.636 1.00 3.40 H new ATOM 0 HZ2 LYS B 39 19.840 12.362 14.056 1.00 3.40 H new ATOM 0 HZ3 LYS B 39 19.940 13.688 13.000 1.00 3.40 H new ATOM 2150 N LYS B 40 11.829 14.773 15.747 1.00 0.91 N ATOM 2151 CA LYS B 40 11.026 14.683 16.973 1.00 1.09 C ATOM 2152 C LYS B 40 10.248 13.357 17.064 1.00 1.23 C ATOM 2153 O LYS B 40 10.240 12.750 18.131 1.00 1.60 O ATOM 2154 CB LYS B 40 9.998 15.828 16.976 1.00 1.07 C ATOM 2155 CG LYS B 40 10.435 17.133 17.645 1.00 1.22 C ATOM 2156 CD LYS B 40 11.375 18.034 16.855 1.00 1.57 C ATOM 2157 CE LYS B 40 12.838 17.606 16.992 1.00 2.80 C ATOM 2158 NZ LYS B 40 13.557 17.679 15.702 1.00 3.87 N ATOM 0 H LYS B 40 11.297 15.095 14.938 1.00 0.91 H new ATOM 0 HA LYS B 40 11.711 14.744 17.819 1.00 1.09 H new ATOM 0 HB2 LYS B 40 9.728 16.047 15.943 1.00 1.07 H new ATOM 0 HB3 LYS B 40 9.095 15.475 17.473 1.00 1.07 H new ATOM 0 HG2 LYS B 40 9.540 17.706 17.887 1.00 1.22 H new ATOM 0 HG3 LYS B 40 10.919 16.884 18.590 1.00 1.22 H new ATOM 0 HD2 LYS B 40 11.091 18.019 15.803 1.00 1.57 H new ATOM 0 HD3 LYS B 40 11.265 19.062 17.200 1.00 1.57 H new ATOM 0 HE2 LYS B 40 13.336 18.244 17.722 1.00 2.80 H new ATOM 0 HE3 LYS B 40 12.884 16.587 17.376 1.00 2.80 H new ATOM 0 HZ1 LYS B 40 14.390 17.057 15.733 1.00 3.87 H new ATOM 0 HZ2 LYS B 40 12.925 17.374 14.935 1.00 3.87 H new ATOM 0 HZ3 LYS B 40 13.863 18.658 15.530 1.00 3.87 H new ATOM 2172 N GLU B 41 9.522 12.993 16.003 1.00 1.00 N ATOM 2173 CA GLU B 41 8.496 11.942 16.038 1.00 1.06 C ATOM 2174 C GLU B 41 9.081 10.534 15.865 1.00 1.03 C ATOM 2175 O GLU B 41 8.470 9.569 16.310 1.00 1.24 O ATOM 2176 CB GLU B 41 7.452 12.204 14.941 1.00 1.39 C ATOM 2177 CG GLU B 41 6.686 13.529 15.065 1.00 2.01 C ATOM 2178 CD GLU B 41 5.785 13.646 16.287 1.00 3.93 C ATOM 2179 OE1 GLU B 41 5.315 12.605 16.792 1.00 4.70 O ATOM 2180 OE2 GLU B 41 5.519 14.806 16.677 1.00 5.23 O ATOM 0 H GLU B 41 9.630 13.423 15.085 1.00 1.00 H new ATOM 0 HA GLU B 41 8.032 11.979 17.024 1.00 1.06 H new ATOM 0 HB2 GLU B 41 7.953 12.183 13.973 1.00 1.39 H new ATOM 0 HB3 GLU B 41 6.732 11.386 14.945 1.00 1.39 H new ATOM 0 HG2 GLU B 41 7.407 14.346 15.086 1.00 2.01 H new ATOM 0 HG3 GLU B 41 6.077 13.663 14.171 1.00 2.01 H new ATOM 2187 N LEU B 42 10.257 10.396 15.254 1.00 1.04 N ATOM 2188 CA LEU B 42 11.039 9.183 15.169 1.00 1.23 C ATOM 2189 C LEU B 42 12.292 9.323 16.030 1.00 1.27 C ATOM 2190 O LEU B 42 12.821 10.422 16.211 1.00 1.23 O ATOM 2191 CB LEU B 42 11.429 8.940 13.698 1.00 1.34 C ATOM 2192 CG LEU B 42 11.470 7.452 13.361 1.00 1.53 C ATOM 2193 CD1 LEU B 42 10.045 6.882 13.359 1.00 1.77 C ATOM 2194 CD2 LEU B 42 12.147 7.220 12.008 1.00 3.26 C ATOM 0 H LEU B 42 10.708 11.179 14.780 1.00 1.04 H new ATOM 0 HA LEU B 42 10.456 8.337 15.532 1.00 1.23 H new ATOM 0 HB2 LEU B 42 10.714 9.441 13.045 1.00 1.34 H new ATOM 0 HB3 LEU B 42 12.405 9.384 13.503 1.00 1.34 H new ATOM 0 HG LEU B 42 12.057 6.935 14.121 1.00 1.53 H new ATOM 0 HD11 LEU B 42 10.078 5.820 13.118 1.00 1.77 H new ATOM 0 HD12 LEU B 42 9.598 7.017 14.344 1.00 1.77 H new ATOM 0 HD13 LEU B 42 9.445 7.404 12.614 1.00 1.77 H new ATOM 0 HD21 LEU B 42 12.165 6.152 11.788 1.00 3.26 H new ATOM 0 HD22 LEU B 42 11.591 7.741 11.229 1.00 3.26 H new ATOM 0 HD23 LEU B 42 13.168 7.601 12.042 1.00 3.26 H new ATOM 2206 N CYS B 43 12.765 8.189 16.535 1.00 1.77 N ATOM 2207 CA CYS B 43 13.878 8.153 17.488 1.00 1.90 C ATOM 2208 C CYS B 43 15.072 7.305 17.017 1.00 2.12 C ATOM 2209 O CYS B 43 16.202 7.552 17.445 1.00 2.59 O ATOM 2210 CB CYS B 43 13.268 7.756 18.837 1.00 2.18 C ATOM 2211 SG CYS B 43 12.868 5.991 18.937 1.00 4.46 S ATOM 0 H CYS B 43 12.392 7.269 16.299 1.00 1.77 H new ATOM 0 HA CYS B 43 14.352 9.130 17.583 1.00 1.90 H new ATOM 0 HB2 CYS B 43 13.965 8.011 19.635 1.00 2.18 H new ATOM 0 HB3 CYS B 43 12.363 8.339 19.006 1.00 2.18 H new ATOM 0 HG CYS B 43 12.131 5.655 17.920 1.00 4.46 H new ATOM 2217 N LEU B 44 14.861 6.373 16.082 1.00 2.90 N ATOM 2218 CA LEU B 44 15.935 5.645 15.407 1.00 3.20 C ATOM 2219 C LEU B 44 16.565 6.482 14.279 1.00 4.14 C ATOM 2220 O LEU B 44 16.392 6.239 13.089 1.00 5.40 O ATOM 2221 CB LEU B 44 15.451 4.256 14.963 1.00 4.04 C ATOM 2222 CG LEU B 44 15.192 3.299 16.147 1.00 4.56 C ATOM 2223 CD1 LEU B 44 13.736 3.287 16.599 1.00 5.50 C ATOM 2224 CD2 LEU B 44 15.608 1.870 15.777 1.00 5.64 C ATOM 0 H LEU B 44 13.928 6.101 15.771 1.00 2.90 H new ATOM 0 HA LEU B 44 16.745 5.471 16.116 1.00 3.20 H new ATOM 0 HB2 LEU B 44 14.534 4.365 14.384 1.00 4.04 H new ATOM 0 HB3 LEU B 44 16.195 3.813 14.301 1.00 4.04 H new ATOM 0 HG LEU B 44 15.793 3.672 16.976 1.00 4.56 H new ATOM 0 HD11 LEU B 44 13.620 2.595 17.433 1.00 5.50 H new ATOM 0 HD12 LEU B 44 13.445 4.289 16.915 1.00 5.50 H new ATOM 0 HD13 LEU B 44 13.101 2.968 15.772 1.00 5.50 H new ATOM 0 HD21 LEU B 44 15.420 1.206 16.621 1.00 5.64 H new ATOM 0 HD22 LEU B 44 15.031 1.534 14.916 1.00 5.64 H new ATOM 0 HD23 LEU B 44 16.670 1.852 15.531 1.00 5.64 H new ATOM 2236 N GLY B 45 17.365 7.464 14.694 1.00 3.91 N ATOM 2237 CA GLY B 45 18.413 8.052 13.874 1.00 4.94 C ATOM 2238 C GLY B 45 19.735 7.594 14.461 1.00 4.48 C ATOM 2239 O GLY B 45 20.063 6.411 14.435 1.00 5.48 O ATOM 0 H GLY B 45 17.299 7.877 15.624 1.00 3.91 H new ATOM 0 HA2 GLY B 45 18.318 7.731 12.837 1.00 4.94 H new ATOM 0 HA3 GLY B 45 18.344 9.140 13.879 1.00 4.94 H new ATOM 2242 N GLU B 46 20.422 8.533 15.095 1.00 3.71 N ATOM 2243 CA GLU B 46 21.764 8.501 15.679 1.00 3.77 C ATOM 2244 C GLU B 46 22.069 7.436 16.758 1.00 2.62 C ATOM 2245 O GLU B 46 23.132 7.479 17.367 1.00 3.36 O ATOM 2246 CB GLU B 46 22.084 9.926 16.161 1.00 5.17 C ATOM 2247 CG GLU B 46 21.063 10.568 17.122 1.00 5.43 C ATOM 2248 CD GLU B 46 20.129 11.516 16.366 1.00 6.45 C ATOM 2249 OE1 GLU B 46 19.504 11.076 15.371 1.00 6.82 O ATOM 2250 OE2 GLU B 46 20.102 12.728 16.672 1.00 7.34 O ATOM 0 H GLU B 46 20.002 9.453 15.231 1.00 3.71 H new ATOM 0 HA GLU B 46 22.428 8.164 14.884 1.00 3.77 H new ATOM 0 HB2 GLU B 46 23.055 9.910 16.655 1.00 5.17 H new ATOM 0 HB3 GLU B 46 22.182 10.569 15.286 1.00 5.17 H new ATOM 0 HG2 GLU B 46 20.479 9.789 17.613 1.00 5.43 H new ATOM 0 HG3 GLU B 46 21.588 11.115 17.905 1.00 5.43 H new ATOM 2257 N MET B 47 21.211 6.433 16.959 1.00 1.79 N ATOM 2258 CA MET B 47 21.642 5.143 17.526 1.00 2.29 C ATOM 2259 C MET B 47 22.448 4.316 16.513 1.00 2.22 C ATOM 2260 O MET B 47 23.305 3.514 16.884 1.00 2.86 O ATOM 2261 CB MET B 47 20.423 4.288 17.883 1.00 3.06 C ATOM 2262 CG MET B 47 19.415 4.917 18.849 1.00 3.64 C ATOM 2263 SD MET B 47 18.115 3.779 19.426 1.00 4.30 S ATOM 2264 CE MET B 47 17.988 2.600 18.051 1.00 3.78 C ATOM 0 H MET B 47 20.216 6.484 16.740 1.00 1.79 H new ATOM 0 HA MET B 47 22.249 5.381 18.399 1.00 2.29 H new ATOM 0 HB2 MET B 47 19.901 4.034 16.961 1.00 3.06 H new ATOM 0 HB3 MET B 47 20.776 3.353 18.317 1.00 3.06 H new ATOM 0 HG2 MET B 47 19.953 5.304 19.715 1.00 3.64 H new ATOM 0 HG3 MET B 47 18.944 5.769 18.359 1.00 3.64 H new ATOM 0 HE1 MET B 47 17.105 1.976 18.187 1.00 3.78 H new ATOM 0 HE2 MET B 47 17.906 3.145 17.111 1.00 3.78 H new ATOM 0 HE3 MET B 47 18.877 1.970 18.029 1.00 3.78 H new ATOM 2274 N LYS B 48 22.069 4.425 15.236 1.00 2.05 N ATOM 2275 CA LYS B 48 22.410 3.569 14.117 1.00 2.59 C ATOM 2276 C LYS B 48 22.712 4.399 12.848 1.00 2.86 C ATOM 2277 O LYS B 48 21.948 5.291 12.498 1.00 3.05 O ATOM 2278 CB LYS B 48 21.211 2.627 13.921 1.00 3.28 C ATOM 2279 CG LYS B 48 21.471 1.413 14.817 1.00 3.97 C ATOM 2280 CD LYS B 48 20.271 0.562 15.206 1.00 4.35 C ATOM 2281 CE LYS B 48 19.625 -0.397 14.183 1.00 5.03 C ATOM 2282 NZ LYS B 48 20.473 -1.561 13.814 1.00 5.83 N ATOM 0 H LYS B 48 21.460 5.188 14.942 1.00 2.05 H new ATOM 0 HA LYS B 48 23.318 2.999 14.312 1.00 2.59 H new ATOM 0 HB2 LYS B 48 20.279 3.121 14.195 1.00 3.28 H new ATOM 0 HB3 LYS B 48 21.118 2.328 12.877 1.00 3.28 H new ATOM 0 HG2 LYS B 48 22.191 0.769 14.312 1.00 3.97 H new ATOM 0 HG3 LYS B 48 21.946 1.765 15.733 1.00 3.97 H new ATOM 0 HD2 LYS B 48 20.568 -0.038 16.066 1.00 4.35 H new ATOM 0 HD3 LYS B 48 19.491 1.243 15.546 1.00 4.35 H new ATOM 0 HE2 LYS B 48 18.683 -0.764 14.591 1.00 5.03 H new ATOM 0 HE3 LYS B 48 19.384 0.163 13.279 1.00 5.03 H new ATOM 0 HZ1 LYS B 48 19.869 -2.389 13.638 1.00 5.83 H new ATOM 0 HZ2 LYS B 48 21.013 -1.338 12.954 1.00 5.83 H new ATOM 0 HZ3 LYS B 48 21.131 -1.771 14.591 1.00 5.83 H new ATOM 2296 N GLU B 49 23.777 4.040 12.120 1.00 3.44 N ATOM 2297 CA GLU B 49 24.147 4.632 10.832 1.00 4.14 C ATOM 2298 C GLU B 49 24.477 6.147 10.948 1.00 2.69 C ATOM 2299 O GLU B 49 24.903 6.568 12.021 1.00 3.08 O ATOM 2300 CB GLU B 49 23.079 4.197 9.809 1.00 5.93 C ATOM 2301 CG GLU B 49 23.672 3.830 8.448 1.00 7.58 C ATOM 2302 CD GLU B 49 23.902 5.069 7.601 1.00 7.91 C ATOM 2303 OE1 GLU B 49 23.008 5.934 7.542 1.00 8.08 O ATOM 2304 OE2 GLU B 49 25.045 5.315 7.168 1.00 8.23 O ATOM 0 H GLU B 49 24.422 3.309 12.421 1.00 3.44 H new ATOM 0 HA GLU B 49 25.099 4.258 10.455 1.00 4.14 H new ATOM 0 HB2 GLU B 49 22.532 3.341 10.204 1.00 5.93 H new ATOM 0 HB3 GLU B 49 22.357 5.004 9.680 1.00 5.93 H new ATOM 0 HG2 GLU B 49 24.615 3.302 8.589 1.00 7.58 H new ATOM 0 HG3 GLU B 49 23.000 3.149 7.927 1.00 7.58 H new ATOM 2311 N SER B 50 24.353 6.954 9.887 1.00 2.54 N ATOM 2312 CA SER B 50 24.820 8.362 9.801 1.00 2.08 C ATOM 2313 C SER B 50 24.630 8.977 8.406 1.00 1.81 C ATOM 2314 O SER B 50 24.449 10.189 8.314 1.00 2.98 O ATOM 2315 CB SER B 50 26.309 8.504 10.171 1.00 2.45 C ATOM 2316 OG SER B 50 26.721 9.864 10.108 1.00 3.24 O ATOM 0 H SER B 50 23.908 6.640 9.025 1.00 2.54 H new ATOM 0 HA SER B 50 24.198 8.897 10.519 1.00 2.08 H new ATOM 0 HB2 SER B 50 26.477 8.115 11.175 1.00 2.45 H new ATOM 0 HB3 SER B 50 26.915 7.905 9.492 1.00 2.45 H new ATOM 0 HG SER B 50 27.669 9.930 10.348 1.00 3.24 H new ATOM 2322 N SER B 51 24.625 8.195 7.325 1.00 1.47 N ATOM 2323 CA SER B 51 24.120 8.640 6.015 1.00 1.71 C ATOM 2324 C SER B 51 22.667 9.139 6.110 1.00 1.55 C ATOM 2325 O SER B 51 22.257 10.012 5.346 1.00 2.21 O ATOM 2326 CB SER B 51 24.185 7.505 4.982 1.00 2.36 C ATOM 2327 OG SER B 51 25.402 6.775 5.042 1.00 2.59 O ATOM 0 H SER B 51 24.970 7.235 7.328 1.00 1.47 H new ATOM 0 HA SER B 51 24.761 9.462 5.695 1.00 1.71 H new ATOM 0 HB2 SER B 51 23.350 6.824 5.144 1.00 2.36 H new ATOM 0 HB3 SER B 51 24.066 7.923 3.982 1.00 2.36 H new ATOM 0 HG SER B 51 25.316 6.049 5.695 1.00 2.59 H new ATOM 2333 N ILE B 52 21.906 8.649 7.100 1.00 1.28 N ATOM 2334 CA ILE B 52 20.577 9.151 7.483 1.00 1.29 C ATOM 2335 C ILE B 52 20.514 10.678 7.628 1.00 1.21 C ATOM 2336 O ILE B 52 19.496 11.268 7.273 1.00 1.36 O ATOM 2337 CB ILE B 52 20.051 8.484 8.781 1.00 1.59 C ATOM 2338 CG1 ILE B 52 20.812 8.843 10.082 1.00 1.96 C ATOM 2339 CG2 ILE B 52 19.978 6.958 8.623 1.00 2.04 C ATOM 2340 CD1 ILE B 52 20.117 9.952 10.892 1.00 2.01 C ATOM 0 H ILE B 52 22.210 7.864 7.677 1.00 1.28 H new ATOM 0 HA ILE B 52 19.929 8.874 6.652 1.00 1.29 H new ATOM 0 HB ILE B 52 19.054 8.907 8.908 1.00 1.59 H new ATOM 0 HG12 ILE B 52 20.905 7.951 10.701 1.00 1.96 H new ATOM 0 HG13 ILE B 52 21.823 9.163 9.830 1.00 1.96 H new ATOM 0 HG21 ILE B 52 19.606 6.514 9.546 1.00 2.04 H new ATOM 0 HG22 ILE B 52 19.304 6.709 7.804 1.00 2.04 H new ATOM 0 HG23 ILE B 52 20.972 6.567 8.407 1.00 2.04 H new ATOM 0 HD11 ILE B 52 20.695 10.162 11.792 1.00 2.01 H new ATOM 0 HD12 ILE B 52 20.048 10.856 10.287 1.00 2.01 H new ATOM 0 HD13 ILE B 52 19.115 9.625 11.172 1.00 2.01 H new ATOM 2352 N ASP B 53 21.569 11.323 8.138 1.00 1.23 N ATOM 2353 CA ASP B 53 21.586 12.774 8.348 1.00 1.55 C ATOM 2354 C ASP B 53 22.242 13.521 7.164 1.00 1.36 C ATOM 2355 O ASP B 53 22.097 14.734 7.058 1.00 1.44 O ATOM 2356 CB ASP B 53 22.135 13.132 9.746 1.00 2.43 C ATOM 2357 CG ASP B 53 21.358 14.292 10.425 1.00 3.60 C ATOM 2358 OD1 ASP B 53 21.232 15.413 9.875 1.00 3.69 O ATOM 2359 OD2 ASP B 53 20.802 14.033 11.526 1.00 5.04 O ATOM 0 H ASP B 53 22.432 10.855 8.416 1.00 1.23 H new ATOM 0 HA ASP B 53 20.560 13.141 8.353 1.00 1.55 H new ATOM 0 HB2 ASP B 53 22.090 12.250 10.384 1.00 2.43 H new ATOM 0 HB3 ASP B 53 23.186 13.409 9.658 1.00 2.43 H new ATOM 2364 N ASP B 54 22.855 12.813 6.200 1.00 1.31 N ATOM 2365 CA ASP B 54 23.113 13.382 4.868 1.00 1.40 C ATOM 2366 C ASP B 54 21.793 13.538 4.099 1.00 1.10 C ATOM 2367 O ASP B 54 21.551 14.589 3.501 1.00 1.20 O ATOM 2368 CB ASP B 54 24.131 12.559 4.055 1.00 1.72 C ATOM 2369 CG ASP B 54 24.685 13.392 2.887 1.00 2.30 C ATOM 2370 OD1 ASP B 54 23.927 13.773 1.965 1.00 2.26 O ATOM 2371 OD2 ASP B 54 25.867 13.804 2.944 1.00 3.63 O ATOM 0 H ASP B 54 23.179 11.853 6.318 1.00 1.31 H new ATOM 0 HA ASP B 54 23.562 14.364 5.015 1.00 1.40 H new ATOM 0 HB2 ASP B 54 24.948 12.239 4.701 1.00 1.72 H new ATOM 0 HB3 ASP B 54 23.655 11.656 3.672 1.00 1.72 H new ATOM 2376 N LEU B 55 20.887 12.556 4.202 1.00 0.84 N ATOM 2377 CA LEU B 55 19.516 12.693 3.691 1.00 0.75 C ATOM 2378 C LEU B 55 18.829 13.901 4.343 1.00 0.71 C ATOM 2379 O LEU B 55 18.306 14.758 3.629 1.00 0.74 O ATOM 2380 CB LEU B 55 18.705 11.395 3.883 1.00 0.73 C ATOM 2381 CG LEU B 55 19.302 10.122 3.251 1.00 0.89 C ATOM 2382 CD1 LEU B 55 18.417 8.916 3.601 1.00 0.98 C ATOM 2383 CD2 LEU B 55 19.453 10.239 1.726 1.00 1.08 C ATOM 0 H LEU B 55 21.080 11.654 4.637 1.00 0.84 H new ATOM 0 HA LEU B 55 19.564 12.870 2.617 1.00 0.75 H new ATOM 0 HB2 LEU B 55 18.583 11.222 4.952 1.00 0.73 H new ATOM 0 HB3 LEU B 55 17.709 11.549 3.469 1.00 0.73 H new ATOM 0 HG LEU B 55 20.303 9.987 3.661 1.00 0.89 H new ATOM 0 HD11 LEU B 55 18.837 8.015 3.155 1.00 0.98 H new ATOM 0 HD12 LEU B 55 18.373 8.799 4.684 1.00 0.98 H new ATOM 0 HD13 LEU B 55 17.411 9.078 3.213 1.00 0.98 H new ATOM 0 HD21 LEU B 55 19.878 9.316 1.331 1.00 1.08 H new ATOM 0 HD22 LEU B 55 18.475 10.411 1.276 1.00 1.08 H new ATOM 0 HD23 LEU B 55 20.113 11.073 1.489 1.00 1.08 H new ATOM 2395 N MET B 56 18.909 14.046 5.674 1.00 0.81 N ATOM 2396 CA MET B 56 18.381 15.221 6.390 1.00 0.99 C ATOM 2397 C MET B 56 19.090 16.531 6.008 1.00 1.12 C ATOM 2398 O MET B 56 18.474 17.598 6.052 1.00 1.30 O ATOM 2399 CB MET B 56 18.509 14.987 7.899 1.00 1.25 C ATOM 2400 CG MET B 56 17.678 13.817 8.432 1.00 1.39 C ATOM 2401 SD MET B 56 15.892 14.099 8.399 1.00 2.08 S ATOM 2402 CE MET B 56 15.628 14.260 10.170 1.00 1.83 C ATOM 0 H MET B 56 19.341 13.353 6.286 1.00 0.81 H new ATOM 0 HA MET B 56 17.336 15.334 6.100 1.00 0.99 H new ATOM 0 HB2 MET B 56 19.558 14.811 8.139 1.00 1.25 H new ATOM 0 HB3 MET B 56 18.211 15.896 8.422 1.00 1.25 H new ATOM 0 HG2 MET B 56 17.905 12.928 7.844 1.00 1.39 H new ATOM 0 HG3 MET B 56 17.982 13.607 9.457 1.00 1.39 H new ATOM 0 HE1 MET B 56 14.585 14.512 10.361 1.00 1.83 H new ATOM 0 HE2 MET B 56 15.870 13.317 10.661 1.00 1.83 H new ATOM 0 HE3 MET B 56 16.269 15.049 10.563 1.00 1.83 H new ATOM 2412 N LYS B 57 20.371 16.488 5.626 1.00 1.12 N ATOM 2413 CA LYS B 57 21.115 17.615 5.042 1.00 1.28 C ATOM 2414 C LYS B 57 20.708 17.901 3.587 1.00 1.20 C ATOM 2415 O LYS B 57 20.787 19.046 3.148 1.00 1.36 O ATOM 2416 CB LYS B 57 22.618 17.362 5.257 1.00 1.55 C ATOM 2417 CG LYS B 57 23.549 18.418 4.633 1.00 1.21 C ATOM 2418 CD LYS B 57 23.980 18.040 3.205 1.00 2.42 C ATOM 2419 CE LYS B 57 24.977 16.875 3.259 1.00 3.93 C ATOM 2420 NZ LYS B 57 25.155 16.199 1.955 1.00 5.82 N ATOM 0 H LYS B 57 20.937 15.645 5.716 1.00 1.12 H new ATOM 0 HA LYS B 57 20.858 18.543 5.553 1.00 1.28 H new ATOM 0 HB2 LYS B 57 22.814 17.314 6.328 1.00 1.55 H new ATOM 0 HB3 LYS B 57 22.870 16.386 4.842 1.00 1.55 H new ATOM 0 HG2 LYS B 57 23.041 19.382 4.614 1.00 1.21 H new ATOM 0 HG3 LYS B 57 24.434 18.536 5.259 1.00 1.21 H new ATOM 0 HD2 LYS B 57 23.108 17.759 2.614 1.00 2.42 H new ATOM 0 HD3 LYS B 57 24.436 18.899 2.712 1.00 2.42 H new ATOM 0 HE2 LYS B 57 25.942 17.247 3.603 1.00 3.93 H new ATOM 0 HE3 LYS B 57 24.636 16.147 3.995 1.00 3.93 H new ATOM 0 HZ1 LYS B 57 25.800 15.391 2.068 1.00 5.82 H new ATOM 0 HZ2 LYS B 57 24.234 15.861 1.611 1.00 5.82 H new ATOM 0 HZ3 LYS B 57 25.556 16.869 1.268 1.00 5.82 H new ATOM 2434 N SER B 58 20.217 16.923 2.831 1.00 1.02 N ATOM 2435 CA SER B 58 19.606 17.123 1.506 1.00 1.06 C ATOM 2436 C SER B 58 18.202 17.756 1.588 1.00 1.01 C ATOM 2437 O SER B 58 17.746 18.420 0.650 1.00 1.18 O ATOM 2438 CB SER B 58 19.586 15.800 0.736 1.00 1.09 C ATOM 2439 OG SER B 58 19.615 16.074 -0.654 1.00 1.78 O ATOM 0 H SER B 58 20.230 15.946 3.122 1.00 1.02 H new ATOM 0 HA SER B 58 20.222 17.838 0.961 1.00 1.06 H new ATOM 0 HB2 SER B 58 20.443 15.188 1.017 1.00 1.09 H new ATOM 0 HB3 SER B 58 18.691 15.231 0.989 1.00 1.09 H new ATOM 0 HG SER B 58 19.604 15.231 -1.154 1.00 1.78 H new ATOM 2445 N LEU B 59 17.536 17.641 2.744 1.00 0.91 N ATOM 2446 CA LEU B 59 16.422 18.517 3.110 1.00 1.03 C ATOM 2447 C LEU B 59 16.950 19.928 3.437 1.00 1.17 C ATOM 2448 O LEU B 59 16.596 20.901 2.765 1.00 1.34 O ATOM 2449 CB LEU B 59 15.601 17.899 4.266 1.00 1.05 C ATOM 2450 CG LEU B 59 15.060 16.469 4.033 1.00 1.00 C ATOM 2451 CD1 LEU B 59 14.277 16.017 5.269 1.00 1.13 C ATOM 2452 CD2 LEU B 59 14.167 16.398 2.788 1.00 1.03 C ATOM 0 H LEU B 59 17.756 16.938 3.449 1.00 0.91 H new ATOM 0 HA LEU B 59 15.740 18.616 2.265 1.00 1.03 H new ATOM 0 HB2 LEU B 59 16.224 17.888 5.160 1.00 1.05 H new ATOM 0 HB3 LEU B 59 14.756 18.555 4.474 1.00 1.05 H new ATOM 0 HG LEU B 59 15.908 15.804 3.867 1.00 1.00 H new ATOM 0 HD11 LEU B 59 13.894 15.009 5.109 1.00 1.13 H new ATOM 0 HD12 LEU B 59 14.935 16.021 6.138 1.00 1.13 H new ATOM 0 HD13 LEU B 59 13.444 16.699 5.441 1.00 1.13 H new ATOM 0 HD21 LEU B 59 13.806 15.378 2.657 1.00 1.03 H new ATOM 0 HD22 LEU B 59 13.318 17.071 2.910 1.00 1.03 H new ATOM 0 HD23 LEU B 59 14.742 16.695 1.911 1.00 1.03 H new ATOM 2464 N ASP B 60 17.852 20.027 4.418 1.00 1.26 N ATOM 2465 CA ASP B 60 18.434 21.276 4.948 1.00 1.52 C ATOM 2466 C ASP B 60 19.052 22.193 3.870 1.00 1.63 C ATOM 2467 O ASP B 60 18.974 23.416 3.972 1.00 1.93 O ATOM 2468 CB ASP B 60 19.501 20.925 6.007 1.00 1.58 C ATOM 2469 CG ASP B 60 19.452 21.786 7.276 1.00 2.04 C ATOM 2470 OD1 ASP B 60 19.248 23.017 7.178 1.00 2.15 O ATOM 2471 OD2 ASP B 60 19.547 21.179 8.369 1.00 3.25 O ATOM 0 H ASP B 60 18.218 19.201 4.891 1.00 1.26 H new ATOM 0 HA ASP B 60 17.612 21.842 5.386 1.00 1.52 H new ATOM 0 HB2 ASP B 60 19.383 19.879 6.289 1.00 1.58 H new ATOM 0 HB3 ASP B 60 20.488 21.024 5.555 1.00 1.58 H new ATOM 2476 N LYS B 61 19.610 21.610 2.804 1.00 1.63 N ATOM 2477 CA LYS B 61 20.284 22.276 1.697 1.00 1.90 C ATOM 2478 C LYS B 61 19.515 23.487 1.149 1.00 1.96 C ATOM 2479 O LYS B 61 20.145 24.480 0.784 1.00 2.40 O ATOM 2480 CB LYS B 61 20.520 21.229 0.579 1.00 1.90 C ATOM 2481 CG LYS B 61 21.941 21.234 -0.013 1.00 2.51 C ATOM 2482 CD LYS B 61 22.386 22.594 -0.565 1.00 3.49 C ATOM 2483 CE LYS B 61 21.527 23.033 -1.763 1.00 4.53 C ATOM 2484 NZ LYS B 61 21.217 24.482 -1.748 1.00 6.58 N ATOM 0 H LYS B 61 19.599 20.597 2.689 1.00 1.63 H new ATOM 0 HA LYS B 61 21.228 22.676 2.068 1.00 1.90 H new ATOM 0 HB2 LYS B 61 20.310 20.237 0.978 1.00 1.90 H new ATOM 0 HB3 LYS B 61 19.805 21.407 -0.224 1.00 1.90 H new ATOM 0 HG2 LYS B 61 22.645 20.919 0.757 1.00 2.51 H new ATOM 0 HG3 LYS B 61 21.992 20.495 -0.813 1.00 2.51 H new ATOM 0 HD2 LYS B 61 22.322 23.345 0.223 1.00 3.49 H new ATOM 0 HD3 LYS B 61 23.432 22.539 -0.868 1.00 3.49 H new ATOM 0 HE2 LYS B 61 22.049 22.788 -2.688 1.00 4.53 H new ATOM 0 HE3 LYS B 61 20.596 22.467 -1.763 1.00 4.53 H new ATOM 0 HZ1 LYS B 61 20.298 24.645 -2.207 1.00 6.58 H new ATOM 0 HZ2 LYS B 61 21.178 24.818 -0.765 1.00 6.58 H new ATOM 0 HZ3 LYS B 61 21.957 25.001 -2.262 1.00 6.58 H new ATOM 2498 N ASN B 62 18.191 23.374 1.028 1.00 1.59 N ATOM 2499 CA ASN B 62 17.340 24.416 0.450 1.00 1.69 C ATOM 2500 C ASN B 62 16.500 25.081 1.553 1.00 1.75 C ATOM 2501 O ASN B 62 16.631 26.274 1.788 1.00 2.70 O ATOM 2502 CB ASN B 62 16.506 23.789 -0.685 1.00 1.80 C ATOM 2503 CG ASN B 62 17.357 23.230 -1.829 1.00 1.95 C ATOM 2504 OD1 ASN B 62 18.525 23.556 -2.003 1.00 2.68 O ATOM 2505 ND2 ASN B 62 16.811 22.340 -2.633 1.00 2.54 N ATOM 0 H ASN B 62 17.674 22.549 1.331 1.00 1.59 H new ATOM 0 HA ASN B 62 17.932 25.219 0.010 1.00 1.69 H new ATOM 0 HB2 ASN B 62 15.892 22.988 -0.274 1.00 1.80 H new ATOM 0 HB3 ASN B 62 15.825 24.541 -1.083 1.00 1.80 H new ATOM 0 HD21 ASN B 62 17.360 21.931 -3.389 1.00 2.54 H new ATOM 0 HD22 ASN B 62 15.839 22.060 -2.499 1.00 2.54 H new ATOM 2512 N SER B 63 15.719 24.284 2.296 1.00 1.26 N ATOM 2513 CA SER B 63 14.966 24.675 3.507 1.00 1.24 C ATOM 2514 C SER B 63 13.806 25.664 3.316 1.00 1.19 C ATOM 2515 O SER B 63 13.151 26.028 4.295 1.00 1.89 O ATOM 2516 CB SER B 63 15.901 25.203 4.609 1.00 1.59 C ATOM 2517 OG SER B 63 16.732 24.188 5.140 1.00 2.35 O ATOM 0 H SER B 63 15.586 23.300 2.061 1.00 1.26 H new ATOM 0 HA SER B 63 14.496 23.737 3.802 1.00 1.24 H new ATOM 0 HB2 SER B 63 16.521 26.002 4.204 1.00 1.59 H new ATOM 0 HB3 SER B 63 15.304 25.638 5.411 1.00 1.59 H new ATOM 0 HG SER B 63 17.597 24.198 4.679 1.00 2.35 H new ATOM 2523 N ASP B 64 13.502 26.077 2.091 1.00 0.89 N ATOM 2524 CA ASP B 64 12.398 26.972 1.758 1.00 1.24 C ATOM 2525 C ASP B 64 11.242 26.174 1.154 1.00 1.11 C ATOM 2526 O ASP B 64 10.084 26.331 1.532 1.00 1.85 O ATOM 2527 CB ASP B 64 12.943 28.002 0.739 1.00 2.24 C ATOM 2528 CG ASP B 64 13.403 27.344 -0.581 1.00 4.56 C ATOM 2529 OD1 ASP B 64 14.273 26.440 -0.520 1.00 5.16 O ATOM 2530 OD2 ASP B 64 12.765 27.597 -1.622 1.00 6.22 O ATOM 0 H ASP B 64 14.037 25.788 1.272 1.00 0.89 H new ATOM 0 HA ASP B 64 12.019 27.477 2.646 1.00 1.24 H new ATOM 0 HB2 ASP B 64 12.169 28.739 0.523 1.00 2.24 H new ATOM 0 HB3 ASP B 64 13.780 28.540 1.184 1.00 2.24 H new ATOM 2535 N GLN B 65 11.582 25.296 0.214 1.00 1.02 N ATOM 2536 CA GLN B 65 10.648 24.624 -0.655 1.00 1.02 C ATOM 2537 C GLN B 65 9.784 23.636 0.099 1.00 0.91 C ATOM 2538 O GLN B 65 10.284 22.822 0.882 1.00 1.16 O ATOM 2539 CB GLN B 65 11.349 23.861 -1.787 1.00 1.16 C ATOM 2540 CG GLN B 65 12.884 23.856 -1.814 1.00 1.83 C ATOM 2541 CD GLN B 65 13.402 22.820 -2.793 1.00 2.75 C ATOM 2542 OE1 GLN B 65 14.032 21.838 -2.424 1.00 3.62 O ATOM 2543 NE2 GLN B 65 13.170 22.981 -4.076 1.00 3.36 N ATOM 0 H GLN B 65 12.551 25.031 0.039 1.00 1.02 H new ATOM 0 HA GLN B 65 10.029 25.417 -1.076 1.00 1.02 H new ATOM 0 HB2 GLN B 65 11.013 22.825 -1.749 1.00 1.16 H new ATOM 0 HB3 GLN B 65 11.000 24.274 -2.733 1.00 1.16 H new ATOM 0 HG2 GLN B 65 13.250 24.843 -2.095 1.00 1.83 H new ATOM 0 HG3 GLN B 65 13.269 23.645 -0.816 1.00 1.83 H new ATOM 0 HE21 GLN B 65 12.647 23.794 -4.402 1.00 3.36 H new ATOM 0 HE22 GLN B 65 13.513 22.293 -4.747 1.00 3.36 H new ATOM 2552 N GLU B 66 8.507 23.646 -0.273 1.00 0.74 N ATOM 2553 CA GLU B 66 7.537 22.686 0.187 1.00 0.68 C ATOM 2554 C GLU B 66 7.722 21.309 -0.456 1.00 0.75 C ATOM 2555 O GLU B 66 8.166 21.167 -1.597 1.00 1.01 O ATOM 2556 CB GLU B 66 6.105 23.197 -0.052 1.00 0.76 C ATOM 2557 CG GLU B 66 5.711 24.380 0.845 1.00 1.04 C ATOM 2558 CD GLU B 66 4.236 24.745 0.663 1.00 1.68 C ATOM 2559 OE1 GLU B 66 3.909 25.403 -0.343 1.00 2.01 O ATOM 2560 OE2 GLU B 66 3.423 24.311 1.506 1.00 2.85 O ATOM 0 H GLU B 66 8.121 24.339 -0.915 1.00 0.74 H new ATOM 0 HA GLU B 66 7.700 22.567 1.258 1.00 0.68 H new ATOM 0 HB2 GLU B 66 6.005 23.495 -1.096 1.00 0.76 H new ATOM 0 HB3 GLU B 66 5.405 22.378 0.114 1.00 0.76 H new ATOM 0 HG2 GLU B 66 5.900 24.127 1.888 1.00 1.04 H new ATOM 0 HG3 GLU B 66 6.334 25.243 0.608 1.00 1.04 H new ATOM 2567 N ILE B 67 7.339 20.291 0.312 1.00 0.71 N ATOM 2568 CA ILE B 67 7.247 18.884 -0.059 1.00 0.79 C ATOM 2569 C ILE B 67 5.929 18.300 0.445 1.00 0.68 C ATOM 2570 O ILE B 67 5.341 18.795 1.403 1.00 0.70 O ATOM 2571 CB ILE B 67 8.435 18.051 0.492 1.00 1.10 C ATOM 2572 CG1 ILE B 67 9.225 18.695 1.656 1.00 1.12 C ATOM 2573 CG2 ILE B 67 9.343 17.673 -0.677 1.00 2.42 C ATOM 2574 CD1 ILE B 67 10.442 17.881 2.095 1.00 1.26 C ATOM 0 H ILE B 67 7.065 20.442 1.283 1.00 0.71 H new ATOM 0 HA ILE B 67 7.287 18.831 -1.147 1.00 0.79 H new ATOM 0 HB ILE B 67 8.007 17.162 0.956 1.00 1.10 H new ATOM 0 HG12 ILE B 67 9.553 19.690 1.354 1.00 1.12 H new ATOM 0 HG13 ILE B 67 8.558 18.824 2.509 1.00 1.12 H new ATOM 0 HG21 ILE B 67 10.185 17.086 -0.309 1.00 2.42 H new ATOM 0 HG22 ILE B 67 8.779 17.084 -1.400 1.00 2.42 H new ATOM 0 HG23 ILE B 67 9.714 18.579 -1.157 1.00 2.42 H new ATOM 0 HD11 ILE B 67 10.946 18.394 2.914 1.00 1.26 H new ATOM 0 HD12 ILE B 67 10.119 16.895 2.428 1.00 1.26 H new ATOM 0 HD13 ILE B 67 11.130 17.773 1.256 1.00 1.26 H new ATOM 2586 N ASP B 68 5.498 17.216 -0.192 1.00 0.75 N ATOM 2587 CA ASP B 68 4.315 16.449 0.186 1.00 0.84 C ATOM 2588 C ASP B 68 4.682 15.055 0.733 1.00 0.84 C ATOM 2589 O ASP B 68 5.850 14.655 0.806 1.00 1.04 O ATOM 2590 CB ASP B 68 3.311 16.425 -0.992 1.00 1.12 C ATOM 2591 CG ASP B 68 3.212 15.088 -1.727 1.00 1.18 C ATOM 2592 OD1 ASP B 68 4.154 14.687 -2.438 1.00 1.80 O ATOM 2593 OD2 ASP B 68 2.168 14.414 -1.579 1.00 2.12 O ATOM 0 H ASP B 68 5.976 16.836 -1.009 1.00 0.75 H new ATOM 0 HA ASP B 68 3.814 16.943 1.019 1.00 0.84 H new ATOM 0 HB2 ASP B 68 2.323 16.689 -0.614 1.00 1.12 H new ATOM 0 HB3 ASP B 68 3.595 17.196 -1.708 1.00 1.12 H new ATOM 2598 N PHE B 69 3.643 14.294 1.078 1.00 0.85 N ATOM 2599 CA PHE B 69 3.687 12.956 1.648 1.00 0.92 C ATOM 2600 C PHE B 69 4.562 11.927 0.895 1.00 0.87 C ATOM 2601 O PHE B 69 4.859 10.879 1.463 1.00 0.95 O ATOM 2602 CB PHE B 69 2.248 12.432 1.730 1.00 1.07 C ATOM 2603 CG PHE B 69 1.262 13.309 2.474 1.00 1.19 C ATOM 2604 CD1 PHE B 69 0.546 14.305 1.785 1.00 2.76 C ATOM 2605 CD2 PHE B 69 1.028 13.103 3.846 1.00 2.01 C ATOM 2606 CE1 PHE B 69 -0.404 15.087 2.463 1.00 3.97 C ATOM 2607 CE2 PHE B 69 0.074 13.880 4.520 1.00 3.03 C ATOM 2608 CZ PHE B 69 -0.646 14.868 3.827 1.00 3.83 C ATOM 0 H PHE B 69 2.685 14.623 0.956 1.00 0.85 H new ATOM 0 HA PHE B 69 4.163 13.059 2.623 1.00 0.92 H new ATOM 0 HB2 PHE B 69 1.878 12.284 0.715 1.00 1.07 H new ATOM 0 HB3 PHE B 69 2.266 11.453 2.209 1.00 1.07 H new ATOM 0 HD1 PHE B 69 0.727 14.469 0.733 1.00 2.76 H new ATOM 0 HD2 PHE B 69 1.583 12.346 4.381 1.00 2.01 H new ATOM 0 HE1 PHE B 69 -0.947 15.856 1.934 1.00 3.97 H new ATOM 0 HE2 PHE B 69 -0.107 13.719 5.572 1.00 3.03 H new ATOM 0 HZ PHE B 69 -1.386 15.459 4.345 1.00 3.83 H new ATOM 2618 N LYS B 70 4.968 12.149 -0.363 1.00 0.83 N ATOM 2619 CA LYS B 70 5.705 11.158 -1.164 1.00 0.85 C ATOM 2620 C LYS B 70 7.169 11.082 -0.728 1.00 0.82 C ATOM 2621 O LYS B 70 7.614 10.014 -0.309 1.00 0.77 O ATOM 2622 CB LYS B 70 5.596 11.505 -2.654 1.00 0.95 C ATOM 2623 CG LYS B 70 4.452 10.770 -3.372 1.00 1.15 C ATOM 2624 CD LYS B 70 3.113 11.489 -3.175 1.00 2.44 C ATOM 2625 CE LYS B 70 2.864 12.529 -4.275 1.00 3.44 C ATOM 2626 NZ LYS B 70 1.638 13.312 -4.005 1.00 5.04 N ATOM 0 H LYS B 70 4.794 13.024 -0.857 1.00 0.83 H new ATOM 0 HA LYS B 70 5.260 10.177 -1.000 1.00 0.85 H new ATOM 0 HB2 LYS B 70 5.449 12.580 -2.759 1.00 0.95 H new ATOM 0 HB3 LYS B 70 6.538 11.263 -3.145 1.00 0.95 H new ATOM 0 HG2 LYS B 70 4.675 10.699 -4.437 1.00 1.15 H new ATOM 0 HG3 LYS B 70 4.378 9.751 -2.993 1.00 1.15 H new ATOM 0 HD2 LYS B 70 2.304 10.759 -3.174 1.00 2.44 H new ATOM 0 HD3 LYS B 70 3.102 11.979 -2.201 1.00 2.44 H new ATOM 0 HE2 LYS B 70 3.720 13.201 -4.344 1.00 3.44 H new ATOM 0 HE3 LYS B 70 2.774 12.028 -5.239 1.00 3.44 H new ATOM 0 HZ1 LYS B 70 1.611 14.142 -4.632 1.00 5.04 H new ATOM 0 HZ2 LYS B 70 0.802 12.719 -4.179 1.00 5.04 H new ATOM 0 HZ3 LYS B 70 1.638 13.627 -3.014 1.00 5.04 H new ATOM 2640 N GLU B 71 7.864 12.221 -0.743 1.00 0.87 N ATOM 2641 CA GLU B 71 9.183 12.392 -0.127 1.00 0.84 C ATOM 2642 C GLU B 71 9.144 11.922 1.327 1.00 0.79 C ATOM 2643 O GLU B 71 9.988 11.157 1.761 1.00 0.92 O ATOM 2644 CB GLU B 71 9.584 13.873 -0.178 1.00 0.92 C ATOM 2645 CG GLU B 71 10.093 14.270 -1.568 1.00 1.36 C ATOM 2646 CD GLU B 71 11.608 14.503 -1.542 1.00 2.10 C ATOM 2647 OE1 GLU B 71 12.341 13.503 -1.684 1.00 3.38 O ATOM 2648 OE2 GLU B 71 12.032 15.669 -1.349 1.00 2.45 O ATOM 0 H GLU B 71 7.519 13.069 -1.193 1.00 0.87 H new ATOM 0 HA GLU B 71 9.914 11.797 -0.675 1.00 0.84 H new ATOM 0 HB2 GLU B 71 8.727 14.492 0.087 1.00 0.92 H new ATOM 0 HB3 GLU B 71 10.359 14.067 0.563 1.00 0.92 H new ATOM 0 HG2 GLU B 71 9.852 13.487 -2.287 1.00 1.36 H new ATOM 0 HG3 GLU B 71 9.586 15.175 -1.902 1.00 1.36 H new ATOM 2655 N TYR B 72 8.094 12.278 2.060 1.00 0.69 N ATOM 2656 CA TYR B 72 7.980 11.938 3.482 1.00 0.64 C ATOM 2657 C TYR B 72 7.863 10.419 3.702 1.00 0.62 C ATOM 2658 O TYR B 72 8.547 9.848 4.548 1.00 0.65 O ATOM 2659 CB TYR B 72 6.776 12.705 4.036 1.00 0.62 C ATOM 2660 CG TYR B 72 6.244 12.270 5.398 1.00 0.60 C ATOM 2661 CD1 TYR B 72 7.094 12.234 6.520 1.00 1.61 C ATOM 2662 CD2 TYR B 72 4.876 11.966 5.564 1.00 1.59 C ATOM 2663 CE1 TYR B 72 6.571 12.027 7.807 1.00 1.65 C ATOM 2664 CE2 TYR B 72 4.349 11.736 6.854 1.00 1.62 C ATOM 2665 CZ TYR B 72 5.191 11.805 7.985 1.00 0.75 C ATOM 2666 OH TYR B 72 4.696 11.681 9.248 1.00 0.92 O ATOM 0 H TYR B 72 7.302 12.806 1.693 1.00 0.69 H new ATOM 0 HA TYR B 72 8.883 12.231 4.017 1.00 0.64 H new ATOM 0 HB2 TYR B 72 7.046 13.759 4.099 1.00 0.62 H new ATOM 0 HB3 TYR B 72 5.963 12.626 3.314 1.00 0.62 H new ATOM 0 HD1 TYR B 72 8.158 12.367 6.390 1.00 1.61 H new ATOM 0 HD2 TYR B 72 4.229 11.909 4.701 1.00 1.59 H new ATOM 0 HE1 TYR B 72 7.229 12.038 8.663 1.00 1.65 H new ATOM 0 HE2 TYR B 72 3.301 11.507 6.975 1.00 1.62 H new ATOM 0 HH TYR B 72 3.718 11.626 9.212 1.00 0.92 H new ATOM 2676 N SER B 73 7.047 9.744 2.887 1.00 0.65 N ATOM 2677 CA SER B 73 6.866 8.293 2.929 1.00 0.68 C ATOM 2678 C SER B 73 8.094 7.521 2.422 1.00 0.69 C ATOM 2679 O SER B 73 8.497 6.583 3.115 1.00 0.68 O ATOM 2680 CB SER B 73 5.580 7.872 2.199 1.00 0.76 C ATOM 2681 OG SER B 73 5.497 8.361 0.876 1.00 1.36 O ATOM 0 H SER B 73 6.485 10.200 2.168 1.00 0.65 H new ATOM 0 HA SER B 73 6.757 8.021 3.979 1.00 0.68 H new ATOM 0 HB2 SER B 73 5.522 6.784 2.180 1.00 0.76 H new ATOM 0 HB3 SER B 73 4.718 8.227 2.764 1.00 0.76 H new ATOM 0 HG SER B 73 5.109 9.261 0.884 1.00 1.36 H new ATOM 2687 N VAL B 74 8.736 7.912 1.309 1.00 0.73 N ATOM 2688 CA VAL B 74 9.968 7.249 0.837 1.00 0.78 C ATOM 2689 C VAL B 74 11.176 7.545 1.717 1.00 0.76 C ATOM 2690 O VAL B 74 12.000 6.660 1.871 1.00 0.78 O ATOM 2691 CB VAL B 74 10.365 7.535 -0.627 1.00 0.86 C ATOM 2692 CG1 VAL B 74 9.254 7.114 -1.582 1.00 0.91 C ATOM 2693 CG2 VAL B 74 10.825 8.968 -0.924 1.00 0.88 C ATOM 0 H VAL B 74 8.425 8.683 0.718 1.00 0.73 H new ATOM 0 HA VAL B 74 9.694 6.196 0.902 1.00 0.78 H new ATOM 0 HB VAL B 74 11.252 6.924 -0.793 1.00 0.86 H new ATOM 0 HG11 VAL B 74 9.556 7.325 -2.608 1.00 0.91 H new ATOM 0 HG12 VAL B 74 9.065 6.046 -1.472 1.00 0.91 H new ATOM 0 HG13 VAL B 74 8.345 7.669 -1.350 1.00 0.91 H new ATOM 0 HG21 VAL B 74 11.079 9.057 -1.980 1.00 0.88 H new ATOM 0 HG22 VAL B 74 10.022 9.665 -0.684 1.00 0.88 H new ATOM 0 HG23 VAL B 74 11.701 9.202 -0.319 1.00 0.88 H new ATOM 2703 N PHE B 75 11.274 8.729 2.333 1.00 0.74 N ATOM 2704 CA PHE B 75 12.333 9.064 3.279 1.00 0.71 C ATOM 2705 C PHE B 75 12.170 8.242 4.554 1.00 0.66 C ATOM 2706 O PHE B 75 13.141 7.621 4.965 1.00 0.68 O ATOM 2707 CB PHE B 75 12.320 10.578 3.543 1.00 0.71 C ATOM 2708 CG PHE B 75 13.533 11.149 4.248 1.00 0.66 C ATOM 2709 CD1 PHE B 75 13.826 10.817 5.583 1.00 1.83 C ATOM 2710 CD2 PHE B 75 14.354 12.066 3.562 1.00 1.62 C ATOM 2711 CE1 PHE B 75 14.940 11.383 6.221 1.00 1.87 C ATOM 2712 CE2 PHE B 75 15.455 12.644 4.205 1.00 1.61 C ATOM 2713 CZ PHE B 75 15.758 12.291 5.528 1.00 0.73 C ATOM 0 H PHE B 75 10.609 9.488 2.183 1.00 0.74 H new ATOM 0 HA PHE B 75 13.308 8.813 2.863 1.00 0.71 H new ATOM 0 HB2 PHE B 75 12.207 11.090 2.588 1.00 0.71 H new ATOM 0 HB3 PHE B 75 11.437 10.814 4.137 1.00 0.71 H new ATOM 0 HD1 PHE B 75 13.192 10.125 6.118 1.00 1.83 H new ATOM 0 HD2 PHE B 75 14.133 12.324 2.537 1.00 1.62 H new ATOM 0 HE1 PHE B 75 15.168 11.121 7.244 1.00 1.87 H new ATOM 0 HE2 PHE B 75 16.071 13.361 3.683 1.00 1.61 H new ATOM 0 HZ PHE B 75 16.622 12.718 6.015 1.00 0.73 H new ATOM 2723 N LEU B 76 10.966 8.127 5.136 1.00 0.65 N ATOM 2724 CA LEU B 76 10.726 7.222 6.272 1.00 0.64 C ATOM 2725 C LEU B 76 11.019 5.757 5.916 1.00 0.67 C ATOM 2726 O LEU B 76 11.671 5.048 6.684 1.00 0.69 O ATOM 2727 CB LEU B 76 9.275 7.372 6.758 1.00 0.64 C ATOM 2728 CG LEU B 76 8.997 8.639 7.590 1.00 0.63 C ATOM 2729 CD1 LEU B 76 7.488 8.727 7.841 1.00 1.11 C ATOM 2730 CD2 LEU B 76 9.741 8.627 8.934 1.00 1.12 C ATOM 0 H LEU B 76 10.142 8.650 4.838 1.00 0.65 H new ATOM 0 HA LEU B 76 11.412 7.503 7.071 1.00 0.64 H new ATOM 0 HB2 LEU B 76 8.615 7.373 5.891 1.00 0.64 H new ATOM 0 HB3 LEU B 76 9.015 6.498 7.356 1.00 0.64 H new ATOM 0 HG LEU B 76 9.355 9.504 7.032 1.00 0.63 H new ATOM 0 HD11 LEU B 76 7.268 9.618 8.429 1.00 1.11 H new ATOM 0 HD12 LEU B 76 6.963 8.783 6.887 1.00 1.11 H new ATOM 0 HD13 LEU B 76 7.157 7.842 8.385 1.00 1.11 H new ATOM 0 HD21 LEU B 76 9.513 9.540 9.484 1.00 1.12 H new ATOM 0 HD22 LEU B 76 9.424 7.763 9.518 1.00 1.12 H new ATOM 0 HD23 LEU B 76 10.815 8.569 8.755 1.00 1.12 H new ATOM 2742 N THR B 77 10.591 5.312 4.733 1.00 0.69 N ATOM 2743 CA THR B 77 10.801 3.944 4.237 1.00 0.72 C ATOM 2744 C THR B 77 12.283 3.640 4.033 1.00 0.79 C ATOM 2745 O THR B 77 12.780 2.618 4.494 1.00 0.84 O ATOM 2746 CB THR B 77 10.010 3.775 2.944 1.00 0.70 C ATOM 2747 OG1 THR B 77 8.641 3.907 3.256 1.00 0.69 O ATOM 2748 CG2 THR B 77 10.253 2.421 2.291 1.00 0.77 C ATOM 0 H THR B 77 10.078 5.902 4.077 1.00 0.69 H new ATOM 0 HA THR B 77 10.445 3.229 4.979 1.00 0.72 H new ATOM 0 HB THR B 77 10.335 4.535 2.233 1.00 0.70 H new ATOM 0 HG1 THR B 77 8.427 4.853 3.395 1.00 0.69 H new ATOM 0 HG21 THR B 77 9.668 2.349 1.374 1.00 0.77 H new ATOM 0 HG22 THR B 77 11.312 2.316 2.055 1.00 0.77 H new ATOM 0 HG23 THR B 77 9.953 1.628 2.976 1.00 0.77 H new ATOM 2756 N MET B 78 12.993 4.562 3.382 1.00 0.81 N ATOM 2757 CA MET B 78 14.444 4.541 3.193 1.00 0.85 C ATOM 2758 C MET B 78 15.174 4.566 4.533 1.00 0.81 C ATOM 2759 O MET B 78 16.066 3.752 4.733 1.00 0.91 O ATOM 2760 CB MET B 78 14.838 5.731 2.304 1.00 0.87 C ATOM 2761 CG MET B 78 16.346 5.925 2.149 1.00 1.05 C ATOM 2762 SD MET B 78 16.850 6.809 0.649 1.00 1.25 S ATOM 2763 CE MET B 78 15.787 8.274 0.745 1.00 1.13 C ATOM 0 H MET B 78 12.555 5.378 2.954 1.00 0.81 H new ATOM 0 HA MET B 78 14.739 3.615 2.700 1.00 0.85 H new ATOM 0 HB2 MET B 78 14.397 5.594 1.317 1.00 0.87 H new ATOM 0 HB3 MET B 78 14.407 6.641 2.722 1.00 0.87 H new ATOM 0 HG2 MET B 78 16.719 6.469 3.017 1.00 1.05 H new ATOM 0 HG3 MET B 78 16.826 4.947 2.156 1.00 1.05 H new ATOM 0 HE1 MET B 78 16.265 9.105 0.226 1.00 1.13 H new ATOM 0 HE2 MET B 78 14.827 8.058 0.277 1.00 1.13 H new ATOM 0 HE3 MET B 78 15.629 8.541 1.790 1.00 1.13 H new ATOM 2773 N LEU B 79 14.778 5.446 5.454 1.00 0.71 N ATOM 2774 CA LEU B 79 15.352 5.567 6.791 1.00 0.69 C ATOM 2775 C LEU B 79 15.229 4.254 7.572 1.00 0.69 C ATOM 2776 O LEU B 79 16.226 3.764 8.080 1.00 0.71 O ATOM 2777 CB LEU B 79 14.692 6.770 7.490 1.00 0.79 C ATOM 2778 CG LEU B 79 15.223 7.080 8.900 1.00 1.19 C ATOM 2779 CD1 LEU B 79 16.746 7.248 8.875 1.00 1.22 C ATOM 2780 CD2 LEU B 79 14.567 8.367 9.422 1.00 2.20 C ATOM 0 H LEU B 79 14.026 6.114 5.283 1.00 0.71 H new ATOM 0 HA LEU B 79 16.424 5.755 6.734 1.00 0.69 H new ATOM 0 HB2 LEU B 79 14.829 7.653 6.865 1.00 0.79 H new ATOM 0 HB3 LEU B 79 13.619 6.589 7.555 1.00 0.79 H new ATOM 0 HG LEU B 79 14.976 6.249 9.561 1.00 1.19 H new ATOM 0 HD11 LEU B 79 17.104 7.467 9.881 1.00 1.22 H new ATOM 0 HD12 LEU B 79 17.208 6.328 8.517 1.00 1.22 H new ATOM 0 HD13 LEU B 79 17.011 8.069 8.209 1.00 1.22 H new ATOM 0 HD21 LEU B 79 14.943 8.587 10.421 1.00 2.20 H new ATOM 0 HD22 LEU B 79 14.806 9.194 8.754 1.00 2.20 H new ATOM 0 HD23 LEU B 79 13.486 8.234 9.462 1.00 2.20 H new ATOM 2792 N CYS B 80 14.047 3.626 7.582 1.00 0.71 N ATOM 2793 CA CYS B 80 13.842 2.294 8.174 1.00 0.76 C ATOM 2794 C CYS B 80 14.785 1.236 7.559 1.00 0.82 C ATOM 2795 O CYS B 80 15.378 0.423 8.270 1.00 0.89 O ATOM 2796 CB CYS B 80 12.353 1.955 7.988 1.00 0.83 C ATOM 2797 SG CYS B 80 11.957 0.348 8.736 1.00 1.08 S ATOM 0 H CYS B 80 13.201 4.027 7.178 1.00 0.71 H new ATOM 0 HA CYS B 80 14.093 2.294 9.235 1.00 0.76 H new ATOM 0 HB2 CYS B 80 11.739 2.733 8.442 1.00 0.83 H new ATOM 0 HB3 CYS B 80 12.110 1.936 6.926 1.00 0.83 H new ATOM 0 HG CYS B 80 10.694 0.089 8.566 1.00 1.08 H new ATOM 2803 N MET B 81 14.972 1.282 6.238 1.00 0.84 N ATOM 2804 CA MET B 81 15.879 0.402 5.498 1.00 0.93 C ATOM 2805 C MET B 81 17.363 0.698 5.780 1.00 0.94 C ATOM 2806 O MET B 81 18.199 -0.190 5.617 1.00 1.07 O ATOM 2807 CB MET B 81 15.527 0.528 4.007 1.00 1.02 C ATOM 2808 CG MET B 81 16.175 -0.548 3.138 1.00 1.91 C ATOM 2809 SD MET B 81 15.600 -0.484 1.422 1.00 2.35 S ATOM 2810 CE MET B 81 14.256 -1.690 1.532 1.00 3.28 C ATOM 0 H MET B 81 14.485 1.948 5.639 1.00 0.84 H new ATOM 0 HA MET B 81 15.743 -0.628 5.829 1.00 0.93 H new ATOM 0 HB2 MET B 81 14.444 0.475 3.891 1.00 1.02 H new ATOM 0 HB3 MET B 81 15.838 1.510 3.649 1.00 1.02 H new ATOM 0 HG2 MET B 81 17.258 -0.427 3.161 1.00 1.91 H new ATOM 0 HG3 MET B 81 15.955 -1.530 3.556 1.00 1.91 H new ATOM 0 HE1 MET B 81 13.554 -1.529 0.714 1.00 3.28 H new ATOM 0 HE2 MET B 81 14.665 -2.698 1.466 1.00 3.28 H new ATOM 0 HE3 MET B 81 13.737 -1.571 2.483 1.00 3.28 H new ATOM 2820 N ALA B 82 17.702 1.917 6.220 1.00 0.90 N ATOM 2821 CA ALA B 82 19.073 2.364 6.487 1.00 0.97 C ATOM 2822 C ALA B 82 19.719 1.660 7.689 1.00 1.00 C ATOM 2823 O ALA B 82 20.942 1.642 7.805 1.00 1.18 O ATOM 2824 CB ALA B 82 19.094 3.889 6.661 1.00 1.04 C ATOM 0 H ALA B 82 17.007 2.641 6.405 1.00 0.90 H new ATOM 0 HA ALA B 82 19.678 2.086 5.624 1.00 0.97 H new ATOM 0 HB1 ALA B 82 20.114 4.219 6.859 1.00 1.04 H new ATOM 0 HB2 ALA B 82 18.730 4.364 5.750 1.00 1.04 H new ATOM 0 HB3 ALA B 82 18.453 4.169 7.497 1.00 1.04 H new ATOM 2830 N TYR B 83 18.916 1.077 8.588 1.00 1.01 N ATOM 2831 CA TYR B 83 19.441 0.449 9.799 1.00 1.17 C ATOM 2832 C TYR B 83 18.661 -0.742 10.366 1.00 1.33 C ATOM 2833 O TYR B 83 19.225 -1.412 11.237 1.00 1.83 O ATOM 2834 CB TYR B 83 19.604 1.518 10.883 1.00 1.27 C ATOM 2835 CG TYR B 83 18.328 2.252 11.251 1.00 1.24 C ATOM 2836 CD1 TYR B 83 17.315 1.644 12.024 1.00 1.91 C ATOM 2837 CD2 TYR B 83 18.130 3.551 10.759 1.00 2.13 C ATOM 2838 CE1 TYR B 83 16.063 2.272 12.173 1.00 1.89 C ATOM 2839 CE2 TYR B 83 16.898 4.194 10.947 1.00 2.21 C ATOM 2840 CZ TYR B 83 15.834 3.540 11.595 1.00 1.35 C ATOM 2841 OH TYR B 83 14.610 4.137 11.668 1.00 1.58 O ATOM 0 H TYR B 83 17.901 1.029 8.496 1.00 1.01 H new ATOM 0 HA TYR B 83 20.390 0.012 9.488 1.00 1.17 H new ATOM 0 HB2 TYR B 83 20.007 1.047 11.780 1.00 1.27 H new ATOM 0 HB3 TYR B 83 20.341 2.247 10.547 1.00 1.27 H new ATOM 0 HD1 TYR B 83 17.501 0.694 12.503 1.00 1.91 H new ATOM 0 HD2 TYR B 83 18.928 4.056 10.235 1.00 2.13 H new ATOM 0 HE1 TYR B 83 15.277 1.783 12.730 1.00 1.89 H new ATOM 0 HE2 TYR B 83 16.764 5.204 10.590 1.00 2.21 H new ATOM 0 HH TYR B 83 14.693 4.998 12.128 1.00 1.58 H new ATOM 2851 N ASN B 84 17.417 -1.027 9.967 1.00 1.38 N ATOM 2852 CA ASN B 84 16.710 -2.186 10.521 1.00 1.69 C ATOM 2853 C ASN B 84 17.126 -3.498 9.843 1.00 1.56 C ATOM 2854 O ASN B 84 16.547 -3.957 8.859 1.00 1.72 O ATOM 2855 CB ASN B 84 15.194 -1.979 10.564 1.00 2.19 C ATOM 2856 CG ASN B 84 14.796 -0.989 11.654 1.00 3.28 C ATOM 2857 OD1 ASN B 84 15.341 -0.964 12.753 1.00 4.27 O ATOM 2858 ND2 ASN B 84 13.819 -0.146 11.386 1.00 3.57 N ATOM 0 H ASN B 84 16.890 -0.487 9.281 1.00 1.38 H new ATOM 0 HA ASN B 84 17.022 -2.279 11.561 1.00 1.69 H new ATOM 0 HB2 ASN B 84 14.848 -1.615 9.597 1.00 2.19 H new ATOM 0 HB3 ASN B 84 14.700 -2.934 10.741 1.00 2.19 H new ATOM 0 HD21 ASN B 84 13.517 0.526 12.092 1.00 3.57 H new ATOM 0 HD22 ASN B 84 13.365 -0.165 10.473 1.00 3.57 H new ATOM 2865 N ASP B 85 18.124 -4.117 10.478 1.00 1.84 N ATOM 2866 CA ASP B 85 18.341 -5.560 10.510 1.00 2.00 C ATOM 2867 C ASP B 85 17.094 -6.331 11.012 1.00 2.16 C ATOM 2868 O ASP B 85 16.051 -5.746 11.306 1.00 3.63 O ATOM 2869 CB ASP B 85 19.611 -5.834 11.339 1.00 2.73 C ATOM 2870 CG ASP B 85 19.577 -5.242 12.759 1.00 3.88 C ATOM 2871 OD1 ASP B 85 19.775 -4.004 12.894 1.00 4.33 O ATOM 2872 OD2 ASP B 85 19.404 -6.023 13.715 1.00 5.13 O ATOM 0 H ASP B 85 18.830 -3.603 11.005 1.00 1.84 H new ATOM 0 HA ASP B 85 18.497 -5.937 9.499 1.00 2.00 H new ATOM 0 HB2 ASP B 85 19.760 -6.911 11.410 1.00 2.73 H new ATOM 0 HB3 ASP B 85 20.472 -5.428 10.809 1.00 2.73 H new ATOM 2877 N PHE B 86 17.181 -7.665 11.001 1.00 2.49 N ATOM 2878 CA PHE B 86 16.073 -8.641 11.018 1.00 2.98 C ATOM 2879 C PHE B 86 15.247 -8.617 9.715 1.00 2.74 C ATOM 2880 O PHE B 86 15.088 -9.648 9.062 1.00 3.64 O ATOM 2881 CB PHE B 86 15.184 -8.485 12.265 1.00 3.70 C ATOM 2882 CG PHE B 86 14.240 -9.653 12.461 1.00 5.39 C ATOM 2883 CD1 PHE B 86 12.987 -9.665 11.819 1.00 6.54 C ATOM 2884 CD2 PHE B 86 14.629 -10.755 13.248 1.00 6.66 C ATOM 2885 CE1 PHE B 86 12.137 -10.778 11.948 1.00 8.63 C ATOM 2886 CE2 PHE B 86 13.776 -11.863 13.384 1.00 8.54 C ATOM 2887 CZ PHE B 86 12.532 -11.877 12.727 1.00 9.46 C ATOM 0 H PHE B 86 18.089 -8.130 10.978 1.00 2.49 H new ATOM 0 HA PHE B 86 16.533 -9.628 11.076 1.00 2.98 H new ATOM 0 HB2 PHE B 86 15.817 -8.383 13.147 1.00 3.70 H new ATOM 0 HB3 PHE B 86 14.605 -7.566 12.180 1.00 3.70 H new ATOM 0 HD1 PHE B 86 12.678 -8.817 11.226 1.00 6.54 H new ATOM 0 HD2 PHE B 86 15.586 -10.748 13.748 1.00 6.66 H new ATOM 0 HE1 PHE B 86 11.180 -10.787 11.448 1.00 8.63 H new ATOM 0 HE2 PHE B 86 14.075 -12.704 13.993 1.00 8.54 H new ATOM 0 HZ PHE B 86 11.881 -12.733 12.822 1.00 9.46 H new ATOM 2897 N PHE B 87 14.765 -7.441 9.304 1.00 2.08 N ATOM 2898 CA PHE B 87 13.970 -7.239 8.084 1.00 2.46 C ATOM 2899 C PHE B 87 14.796 -7.298 6.787 1.00 2.71 C ATOM 2900 O PHE B 87 14.228 -7.466 5.710 1.00 3.27 O ATOM 2901 CB PHE B 87 13.241 -5.895 8.193 1.00 2.55 C ATOM 2902 CG PHE B 87 12.251 -5.817 9.338 1.00 2.70 C ATOM 2903 CD1 PHE B 87 10.942 -6.301 9.168 1.00 3.50 C ATOM 2904 CD2 PHE B 87 12.640 -5.283 10.582 1.00 3.63 C ATOM 2905 CE1 PHE B 87 10.027 -6.251 10.236 1.00 4.66 C ATOM 2906 CE2 PHE B 87 11.722 -5.225 11.644 1.00 4.60 C ATOM 2907 CZ PHE B 87 10.414 -5.710 11.472 1.00 4.96 C ATOM 0 H PHE B 87 14.920 -6.577 9.824 1.00 2.08 H new ATOM 0 HA PHE B 87 13.261 -8.064 8.016 1.00 2.46 H new ATOM 0 HB2 PHE B 87 13.980 -5.102 8.311 1.00 2.55 H new ATOM 0 HB3 PHE B 87 12.714 -5.703 7.258 1.00 2.55 H new ATOM 0 HD1 PHE B 87 10.638 -6.712 8.216 1.00 3.50 H new ATOM 0 HD2 PHE B 87 13.647 -4.917 10.720 1.00 3.63 H new ATOM 0 HE1 PHE B 87 9.024 -6.630 10.104 1.00 4.66 H new ATOM 0 HE2 PHE B 87 12.022 -4.807 12.594 1.00 4.60 H new ATOM 0 HZ PHE B 87 9.709 -5.667 12.289 1.00 4.96 H new ATOM 2917 N LEU B 88 16.127 -7.169 6.874 1.00 2.51 N ATOM 2918 CA LEU B 88 17.055 -7.310 5.745 1.00 2.88 C ATOM 2919 C LEU B 88 16.848 -8.613 4.961 1.00 3.73 C ATOM 2920 O LEU B 88 16.393 -9.619 5.502 1.00 3.85 O ATOM 2921 CB LEU B 88 18.513 -7.114 6.228 1.00 2.06 C ATOM 2922 CG LEU B 88 19.237 -8.226 7.033 1.00 2.68 C ATOM 2923 CD1 LEU B 88 18.368 -8.891 8.100 1.00 3.94 C ATOM 2924 CD2 LEU B 88 19.879 -9.327 6.191 1.00 3.49 C ATOM 0 H LEU B 88 16.599 -6.959 7.753 1.00 2.51 H new ATOM 0 HA LEU B 88 16.835 -6.520 5.027 1.00 2.88 H new ATOM 0 HB2 LEU B 88 19.119 -6.911 5.345 1.00 2.06 H new ATOM 0 HB3 LEU B 88 18.530 -6.212 6.840 1.00 2.06 H new ATOM 0 HG LEU B 88 20.033 -7.657 7.514 1.00 2.68 H new ATOM 0 HD11 LEU B 88 18.948 -9.656 8.617 1.00 3.94 H new ATOM 0 HD12 LEU B 88 18.035 -8.141 8.818 1.00 3.94 H new ATOM 0 HD13 LEU B 88 17.500 -9.351 7.628 1.00 3.94 H new ATOM 0 HD21 LEU B 88 20.358 -10.054 6.847 1.00 3.49 H new ATOM 0 HD22 LEU B 88 19.112 -9.824 5.597 1.00 3.49 H new ATOM 0 HD23 LEU B 88 20.625 -8.889 5.528 1.00 3.49 H new ATOM 2936 N GLU B 89 17.220 -8.623 3.684 1.00 4.63 N ATOM 2937 CA GLU B 89 17.168 -9.849 2.878 1.00 5.62 C ATOM 2938 C GLU B 89 18.258 -10.834 3.328 1.00 4.98 C ATOM 2939 O GLU B 89 17.981 -11.879 3.912 1.00 5.49 O ATOM 2940 CB GLU B 89 17.282 -9.481 1.390 1.00 6.64 C ATOM 2941 CG GLU B 89 17.360 -10.718 0.487 1.00 7.42 C ATOM 2942 CD GLU B 89 16.984 -10.355 -0.944 1.00 8.45 C ATOM 2943 OE1 GLU B 89 15.797 -10.007 -1.114 1.00 8.83 O ATOM 2944 OE2 GLU B 89 17.873 -10.394 -1.819 1.00 9.21 O ATOM 0 H GLU B 89 17.560 -7.802 3.183 1.00 4.63 H new ATOM 0 HA GLU B 89 16.213 -10.354 3.025 1.00 5.62 H new ATOM 0 HB2 GLU B 89 16.422 -8.877 1.101 1.00 6.64 H new ATOM 0 HB3 GLU B 89 18.169 -8.866 1.237 1.00 6.64 H new ATOM 0 HG2 GLU B 89 18.368 -11.131 0.511 1.00 7.42 H new ATOM 0 HG3 GLU B 89 16.690 -11.492 0.861 1.00 7.42 H new ATOM 2951 N ASP B 90 19.497 -10.400 3.124 1.00 4.22 N ATOM 2952 CA ASP B 90 20.792 -11.051 3.369 1.00 3.91 C ATOM 2953 C ASP B 90 21.895 -10.037 3.039 1.00 3.68 C ATOM 2954 O ASP B 90 22.866 -9.893 3.785 1.00 3.77 O ATOM 2955 CB ASP B 90 20.940 -12.357 2.571 1.00 5.12 C ATOM 2956 CG ASP B 90 22.305 -12.986 2.850 1.00 5.33 C ATOM 2957 OD1 ASP B 90 22.578 -13.358 4.012 1.00 5.43 O ATOM 2958 OD2 ASP B 90 23.192 -12.931 1.971 1.00 6.09 O ATOM 0 H ASP B 90 19.641 -9.468 2.735 1.00 4.22 H new ATOM 0 HA ASP B 90 20.868 -11.347 4.415 1.00 3.91 H new ATOM 0 HB2 ASP B 90 20.147 -13.053 2.845 1.00 5.12 H new ATOM 0 HB3 ASP B 90 20.834 -12.156 1.505 1.00 5.12 H new ATOM 2963 N ASN B 91 21.644 -9.225 2.004 1.00 4.49 N ATOM 2964 CA ASN B 91 21.908 -7.780 2.013 1.00 5.17 C ATOM 2965 C ASN B 91 23.400 -7.431 1.880 1.00 4.99 C ATOM 2966 O ASN B 91 23.917 -6.534 2.550 1.00 5.72 O ATOM 2967 CB ASN B 91 21.216 -7.118 3.222 1.00 6.05 C ATOM 2968 CG ASN B 91 20.704 -5.719 2.913 1.00 7.84 C ATOM 2969 OD1 ASN B 91 19.528 -5.441 3.118 1.00 8.99 O ATOM 2970 ND2 ASN B 91 21.527 -4.830 2.391 1.00 8.61 N ATOM 0 H ASN B 91 21.247 -9.557 1.125 1.00 4.49 H new ATOM 0 HA ASN B 91 21.463 -7.354 1.114 1.00 5.17 H new ATOM 0 HB2 ASN B 91 20.383 -7.742 3.545 1.00 6.05 H new ATOM 0 HB3 ASN B 91 21.918 -7.068 4.054 1.00 6.05 H new ATOM 0 HD21 ASN B 91 21.187 -3.898 2.153 1.00 8.61 H new ATOM 0 HD22 ASN B 91 22.503 -5.074 2.226 1.00 8.61 H new ATOM 2977 N LYS B 92 24.075 -8.196 1.022 1.00 5.11 N ATOM 2978 CA LYS B 92 25.330 -7.795 0.375 1.00 6.20 C ATOM 2979 C LYS B 92 25.006 -6.890 -0.824 1.00 7.18 C ATOM 2980 O LYS B 92 24.374 -5.845 -0.560 1.00 7.48 O ATOM 2981 CB LYS B 92 26.187 -9.030 0.007 1.00 7.10 C ATOM 2982 CG LYS B 92 26.696 -9.823 1.226 1.00 7.38 C ATOM 2983 CD LYS B 92 25.694 -10.867 1.742 1.00 7.14 C ATOM 2984 CE LYS B 92 26.081 -11.353 3.139 1.00 7.97 C ATOM 2985 NZ LYS B 92 24.887 -11.867 3.839 1.00 7.87 N ATOM 2986 OXT LYS B 92 25.371 -7.265 -1.957 1.00 8.06 O ATOM 0 H LYS B 92 23.762 -9.128 0.751 1.00 5.11 H new ATOM 0 HA LYS B 92 25.943 -7.217 1.066 1.00 6.20 H new ATOM 0 HB2 LYS B 92 25.597 -9.694 -0.625 1.00 7.10 H new ATOM 0 HB3 LYS B 92 27.042 -8.703 -0.584 1.00 7.10 H new ATOM 0 HG2 LYS B 92 27.626 -10.325 0.960 1.00 7.38 H new ATOM 0 HG3 LYS B 92 26.929 -9.126 2.031 1.00 7.38 H new ATOM 0 HD2 LYS B 92 24.694 -10.435 1.767 1.00 7.14 H new ATOM 0 HD3 LYS B 92 25.659 -11.713 1.055 1.00 7.14 H new ATOM 0 HE2 LYS B 92 26.836 -12.136 3.065 1.00 7.97 H new ATOM 0 HE3 LYS B 92 26.524 -10.536 3.708 1.00 7.97 H new ATOM 0 HZ1 LYS B 92 25.156 -12.196 4.788 1.00 7.87 H new ATOM 0 HZ2 LYS B 92 24.180 -11.109 3.923 1.00 7.87 H new ATOM 0 HZ3 LYS B 92 24.483 -12.659 3.300 1.00 7.87 H new TER 3000 LYS B 92