USER MOD reduce.3.24.130724 H: found=0, std=0, add=1514, rem=0, adj=77 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 -160:sc= 0.373 USER MOD Set 1.2: B 83 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: B 84 ASN : amide:sc= 0.559 K(o=0.93,f=0.33) USER MOD Set 2.1: B 61 LYS NZ :NH3+ -133:sc= 0.932 (180deg=-1.19) USER MOD Set 2.2: B 62 ASN : amide:sc= -0.0435 K(o=2.1,f=-1.7!) USER MOD Set 2.3: B 65 GLN : amide:sc= 1.21 K(o=2.1,f=-4.5!) USER MOD Set 3.1: B 48 LYS NZ :NH3+ -167:sc= 1.97 (180deg=1.03) USER MOD Set 3.2: B 51 SER OG : rot 170:sc= 0.673 USER MOD Set 4.1: B 32 LYS NZ :NH3+ -152:sc= 2.3 (180deg=-0.0197) USER MOD Set 4.2: B 63 SER OG : rot 85:sc= 1.25 USER MOD Set 5.1: B 18 LYS NZ :NH3+ 162:sc= 1.76 (180deg=1.19) USER MOD Set 5.2: B 19 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 73 SER OG : rot 152:sc= 0.761 USER MOD Set 6.2: A 77 THR OG1 : rot 84:sc= 1.64 USER MOD Set 6.3: B 73 SER OG : rot 171:sc= 0.576 USER MOD Set 6.4: B 77 THR OG1 : rot 68:sc= 1.92 USER MOD Set 7.1: A 61 LYS NZ :NH3+ -114:sc= 0.452 (180deg=-0.0291) USER MOD Set 7.2: A 62 ASN : amide:sc= 1.17 K(o=2.3,f=-1.8!) USER MOD Set 7.3: A 65 GLN : amide:sc= 0.66 K(o=2.3,f=-3.9!) USER MOD Set 8.1: A 57 LYS NZ :NH3+ 150:sc= 0.271 (180deg=-1.04!) USER MOD Set 8.2: A 58 SER OG : rot 180:sc=-0.00192 USER MOD Set 9.1: A 32 LYS NZ :NH3+ -144:sc= 0.612 (180deg=-0.824) USER MOD Set 9.2: A 63 SER OG : rot -44:sc= 1.32 USER MOD Set10.1: A 15 THR OG1 : rot -76:sc= 0.991 USER MOD Set10.2: A 72 TYR OH : rot 164:sc= 0.296 USER MOD Set11.1: A 12 MET CE :methyl 155:sc= 0 (180deg=-0.312) USER MOD Set11.2: B 12 MET CE :methyl -175:sc= 0 (180deg=-0.0407) USER MOD Single : A 1 MET CE :methyl -124:sc= 0 (180deg=-0.0415) USER MOD Single : A 1 MET N :NH3+ -108:sc= 1.21 (180deg=-0.76) USER MOD Single : A 3 THR OG1 : rot 144:sc= 1.04 USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 0.394 (180deg=0.109) USER MOD Single : A 10 THR OG1 : rot 63:sc= 1.2 USER MOD Single : A 11 THR OG1 : rot 109:sc= 1.28 USER MOD Single : A 14 THR OG1 : rot 74:sc= 1.31 USER MOD Single : A 17 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.013) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 SER OG : rot 60:sc= 1.35 USER MOD Single : A 25 SER OG : rot 41:sc= 1.23 USER MOD Single : A 26 LYS NZ :NH3+ -160:sc= 1.84 (180deg=1.14!) USER MOD Single : A 28 THR OG1 : rot 152:sc= 1.23 USER MOD Single : A 30 SER OG : rot -51:sc= 1.2 USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 1.67 (180deg=1.61) USER MOD Single : A 39 LYS NZ :NH3+ -147:sc= 1.32 (180deg=1.15) USER MOD Single : A 40 LYS NZ :NH3+ -113:sc= 1.25 (180deg=-0.848) USER MOD Single : A 43 CYS SG : rot -81:sc= 0.925 USER MOD Single : A 47 MET CE :methyl -128:sc= -0.213 (180deg=-2.67) USER MOD Single : A 48 LYS NZ :NH3+ -138:sc= 1.2 (180deg=0.581) USER MOD Single : A 50 SER OG : rot 56:sc= 1.28 USER MOD Single : A 51 SER OG : rot -159:sc= 1.21 USER MOD Single : A 56 MET CE :methyl -167:sc= -1.01 (180deg=-1.38) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= 0.778 (180deg=0.692) USER MOD Single : A 78 MET CE :methyl 171:sc= -0.011 (180deg=-0.216) USER MOD Single : A 80 CYS SG : rot -24:sc= 0 USER MOD Single : A 81 MET CE :methyl -149:sc= 0 (180deg=-1.6) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.337 K(o=-0.34,f=-3.6!) USER MOD Single : A 91 ASN : amide:sc= 0.538 K(o=0.54,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 153:sc= -0.509 (180deg=-0.97!) USER MOD Single : B 1 MET CE :methyl -108:sc= -0.0763 (180deg=-0.57) USER MOD Single : B 1 MET N :NH3+ 159:sc= 1.51 (180deg=0.657) USER MOD Single : B 3 THR OG1 : rot 87:sc= 1.61 USER MOD Single : B 7 LYS NZ :NH3+ -112:sc= -0.273 (180deg=-1.41!) USER MOD Single : B 10 THR OG1 : rot 91:sc= 1.24 USER MOD Single : B 11 THR OG1 : rot 82:sc= 1.22 USER MOD Single : B 14 THR OG1 : rot 71:sc= 1.26 USER MOD Single : B 15 THR OG1 : rot 96:sc= 1.26 USER MOD Single : B 17 HIS : no HE2:sc= 0.209 K(o=0.21,f=-2.9!) USER MOD Single : B 20 SER OG : rot -154:sc= 1.08 USER MOD Single : B 25 SER OG : rot 73:sc= 1.42 USER MOD Single : B 26 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.05) USER MOD Single : B 28 THR OG1 : rot -24:sc= 0.779 USER MOD Single : B 30 SER OG : rot 137:sc= 1.83 USER MOD Single : B 35 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.16) USER MOD Single : B 39 LYS NZ :NH3+ 173:sc= 2.16 (180deg=1.7) USER MOD Single : B 40 LYS NZ :NH3+ 179:sc= 0.245 (180deg=0.244) USER MOD Single : B 43 CYS SG : rot 48:sc= 1.05 USER MOD Single : B 47 MET CE :methyl -170:sc= 0 (180deg=-0.245) USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 56 MET CE :methyl -167:sc= -0.034 (180deg=-0.386) USER MOD Single : B 57 LYS NZ :NH3+ -163:sc= 1.23 (180deg=0.524) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 70 LYS NZ :NH3+ -164:sc= 1.06 (180deg=0.852) USER MOD Single : B 72 TYR OH : rot 180:sc= 0 USER MOD Single : B 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 81 MET CE :methyl 162:sc= -0.261 (180deg=-0.849) USER MOD Single : B 91 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : B 92 LYS NZ :NH3+ 173:sc= 0.249 (180deg=0.0748) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.000 5.277 23.474 1.00 6.02 N ATOM 2 CA MET A 1 12.590 5.693 23.625 1.00 5.28 C ATOM 3 C MET A 1 11.669 4.616 23.077 1.00 3.66 C ATOM 4 O MET A 1 11.322 3.737 23.848 1.00 4.12 O ATOM 5 CB MET A 1 12.329 7.073 22.999 1.00 6.06 C ATOM 6 CG MET A 1 12.462 8.224 23.991 1.00 7.86 C ATOM 7 SD MET A 1 12.403 9.838 23.171 1.00 9.25 S ATOM 8 CE MET A 1 14.095 9.939 22.515 1.00 9.91 C ATOM 0 H1 MET A 1 14.393 5.036 24.406 1.00 6.02 H new ATOM 0 H2 MET A 1 14.052 4.446 22.851 1.00 6.02 H new ATOM 0 H3 MET A 1 14.549 6.056 23.058 1.00 6.02 H new ATOM 0 HA MET A 1 12.372 5.806 24.687 1.00 5.28 H new ATOM 0 HB2 MET A 1 13.028 7.229 22.177 1.00 6.06 H new ATOM 0 HB3 MET A 1 11.326 7.086 22.571 1.00 6.06 H new ATOM 0 HG2 MET A 1 11.661 8.162 24.727 1.00 7.86 H new ATOM 0 HG3 MET A 1 13.402 8.128 24.534 1.00 7.86 H new ATOM 0 HE1 MET A 1 14.572 10.849 22.878 1.00 9.91 H new ATOM 0 HE2 MET A 1 14.666 9.072 22.847 1.00 9.91 H new ATOM 0 HE3 MET A 1 14.062 9.956 21.426 1.00 9.91 H new ATOM 17 N GLU A 2 11.308 4.685 21.791 1.00 2.58 N ATOM 18 CA GLU A 2 9.991 4.378 21.225 1.00 1.64 C ATOM 19 C GLU A 2 9.084 5.614 21.374 1.00 1.46 C ATOM 20 O GLU A 2 9.044 6.251 22.430 1.00 2.20 O ATOM 21 CB GLU A 2 9.288 3.120 21.777 1.00 2.11 C ATOM 22 CG GLU A 2 8.022 2.877 20.943 1.00 3.38 C ATOM 23 CD GLU A 2 7.312 1.586 21.289 1.00 4.14 C ATOM 24 OE1 GLU A 2 6.482 1.589 22.225 1.00 4.82 O ATOM 25 OE2 GLU A 2 7.433 0.617 20.511 1.00 4.83 O ATOM 0 H GLU A 2 11.971 4.975 21.072 1.00 2.58 H new ATOM 0 HA GLU A 2 10.173 4.133 20.179 1.00 1.64 H new ATOM 0 HB2 GLU A 2 9.952 2.257 21.721 1.00 2.11 H new ATOM 0 HB3 GLU A 2 9.031 3.257 22.827 1.00 2.11 H new ATOM 0 HG2 GLU A 2 7.335 3.711 21.088 1.00 3.38 H new ATOM 0 HG3 GLU A 2 8.289 2.864 19.886 1.00 3.38 H new ATOM 32 N THR A 3 8.359 5.927 20.300 1.00 0.91 N ATOM 33 CA THR A 3 7.279 6.920 20.230 1.00 1.03 C ATOM 34 C THR A 3 6.082 6.302 19.475 1.00 1.07 C ATOM 35 O THR A 3 6.253 5.256 18.841 1.00 1.03 O ATOM 36 CB THR A 3 7.775 8.207 19.549 1.00 1.35 C ATOM 37 OG1 THR A 3 7.747 7.990 18.163 1.00 1.53 O ATOM 38 CG2 THR A 3 9.170 8.668 19.984 1.00 1.60 C ATOM 0 H THR A 3 8.516 5.470 19.402 1.00 0.91 H new ATOM 0 HA THR A 3 6.958 7.192 21.235 1.00 1.03 H new ATOM 0 HB THR A 3 7.110 9.015 19.855 1.00 1.35 H new ATOM 0 HG1 THR A 3 7.493 8.819 17.707 1.00 1.53 H new ATOM 0 HG21 THR A 3 9.434 9.582 19.451 1.00 1.60 H new ATOM 0 HG22 THR A 3 9.172 8.860 21.057 1.00 1.60 H new ATOM 0 HG23 THR A 3 9.898 7.891 19.754 1.00 1.60 H new ATOM 46 N PRO A 4 4.872 6.900 19.490 1.00 1.35 N ATOM 47 CA PRO A 4 3.696 6.271 18.891 1.00 1.56 C ATOM 48 C PRO A 4 3.715 6.206 17.355 1.00 1.49 C ATOM 49 O PRO A 4 2.895 5.469 16.806 1.00 1.56 O ATOM 50 CB PRO A 4 2.489 7.051 19.421 1.00 2.01 C ATOM 51 CG PRO A 4 3.063 8.433 19.719 1.00 2.02 C ATOM 52 CD PRO A 4 4.482 8.118 20.191 1.00 1.66 C ATOM 0 HA PRO A 4 3.662 5.219 19.176 1.00 1.56 H new ATOM 0 HB2 PRO A 4 1.687 7.099 18.684 1.00 2.01 H new ATOM 0 HB3 PRO A 4 2.073 6.588 20.315 1.00 2.01 H new ATOM 0 HG2 PRO A 4 3.063 9.070 18.834 1.00 2.02 H new ATOM 0 HG3 PRO A 4 2.488 8.953 20.486 1.00 2.02 H new ATOM 0 HD2 PRO A 4 5.162 8.938 19.959 1.00 1.66 H new ATOM 0 HD3 PRO A 4 4.512 7.974 21.271 1.00 1.66 H new ATOM 60 N LEU A 5 4.622 6.897 16.643 1.00 1.44 N ATOM 61 CA LEU A 5 4.760 6.687 15.191 1.00 1.48 C ATOM 62 C LEU A 5 5.437 5.349 14.856 1.00 1.50 C ATOM 63 O LEU A 5 5.143 4.788 13.802 1.00 1.40 O ATOM 64 CB LEU A 5 5.413 7.891 14.487 1.00 1.45 C ATOM 65 CG LEU A 5 5.289 7.777 12.943 1.00 1.68 C ATOM 66 CD1 LEU A 5 4.898 9.104 12.284 1.00 1.85 C ATOM 67 CD2 LEU A 5 6.546 7.228 12.259 1.00 2.66 C ATOM 0 H LEU A 5 5.257 7.591 17.038 1.00 1.44 H new ATOM 0 HA LEU A 5 3.751 6.617 14.785 1.00 1.48 H new ATOM 0 HB2 LEU A 5 4.940 8.813 14.825 1.00 1.45 H new ATOM 0 HB3 LEU A 5 6.465 7.952 14.766 1.00 1.45 H new ATOM 0 HG LEU A 5 4.487 7.054 12.796 1.00 1.68 H new ATOM 0 HD11 LEU A 5 4.825 8.967 11.205 1.00 1.85 H new ATOM 0 HD12 LEU A 5 3.935 9.434 12.673 1.00 1.85 H new ATOM 0 HD13 LEU A 5 5.655 9.857 12.504 1.00 1.85 H new ATOM 0 HD21 LEU A 5 6.382 7.178 11.183 1.00 2.66 H new ATOM 0 HD22 LEU A 5 7.390 7.885 12.467 1.00 2.66 H new ATOM 0 HD23 LEU A 5 6.761 6.230 12.640 1.00 2.66 H new ATOM 79 N GLU A 6 6.236 4.768 15.757 1.00 1.69 N ATOM 80 CA GLU A 6 6.724 3.398 15.571 1.00 1.80 C ATOM 81 C GLU A 6 5.545 2.428 15.438 1.00 1.76 C ATOM 82 O GLU A 6 5.558 1.522 14.615 1.00 1.83 O ATOM 83 CB GLU A 6 7.659 2.999 16.726 1.00 2.06 C ATOM 84 CG GLU A 6 8.281 1.602 16.602 1.00 2.30 C ATOM 85 CD GLU A 6 8.774 1.293 15.185 1.00 2.84 C ATOM 86 OE1 GLU A 6 9.621 2.058 14.684 1.00 3.18 O ATOM 87 OE2 GLU A 6 8.248 0.329 14.585 1.00 4.11 O ATOM 0 H GLU A 6 6.556 5.220 16.614 1.00 1.69 H new ATOM 0 HA GLU A 6 7.301 3.349 14.648 1.00 1.80 H new ATOM 0 HB2 GLU A 6 8.462 3.733 16.794 1.00 2.06 H new ATOM 0 HB3 GLU A 6 7.100 3.050 17.660 1.00 2.06 H new ATOM 0 HG2 GLU A 6 9.116 1.518 17.298 1.00 2.30 H new ATOM 0 HG3 GLU A 6 7.544 0.854 16.896 1.00 2.30 H new ATOM 94 N LYS A 7 4.429 2.672 16.127 1.00 1.68 N ATOM 95 CA LYS A 7 3.228 1.844 15.937 1.00 1.71 C ATOM 96 C LYS A 7 2.646 1.914 14.503 1.00 1.48 C ATOM 97 O LYS A 7 1.941 0.990 14.087 1.00 1.66 O ATOM 98 CB LYS A 7 2.198 2.150 17.038 1.00 1.85 C ATOM 99 CG LYS A 7 2.759 2.164 18.463 1.00 1.76 C ATOM 100 CD LYS A 7 3.584 0.918 18.809 1.00 2.36 C ATOM 101 CE LYS A 7 3.885 0.999 20.300 1.00 3.18 C ATOM 102 NZ LYS A 7 4.868 -0.017 20.747 1.00 3.90 N ATOM 0 H LYS A 7 4.327 3.422 16.811 1.00 1.68 H new ATOM 0 HA LYS A 7 3.524 0.800 16.042 1.00 1.71 H new ATOM 0 HB2 LYS A 7 1.746 3.120 16.832 1.00 1.85 H new ATOM 0 HB3 LYS A 7 1.401 1.409 16.985 1.00 1.85 H new ATOM 0 HG2 LYS A 7 3.382 3.049 18.591 1.00 1.76 H new ATOM 0 HG3 LYS A 7 1.933 2.251 19.169 1.00 1.76 H new ATOM 0 HD2 LYS A 7 3.031 0.009 18.574 1.00 2.36 H new ATOM 0 HD3 LYS A 7 4.506 0.889 18.228 1.00 2.36 H new ATOM 0 HE2 LYS A 7 4.265 1.993 20.535 1.00 3.18 H new ATOM 0 HE3 LYS A 7 2.958 0.872 20.860 1.00 3.18 H new ATOM 0 HZ1 LYS A 7 5.110 0.150 21.745 1.00 3.90 H new ATOM 0 HZ2 LYS A 7 4.457 -0.967 20.645 1.00 3.90 H new ATOM 0 HZ3 LYS A 7 5.728 0.052 20.166 1.00 3.90 H new ATOM 116 N ALA A 8 2.988 2.942 13.710 1.00 1.16 N ATOM 117 CA ALA A 8 2.803 2.938 12.257 1.00 0.92 C ATOM 118 C ALA A 8 3.832 2.054 11.534 1.00 0.94 C ATOM 119 O ALA A 8 3.417 1.197 10.752 1.00 0.85 O ATOM 120 CB ALA A 8 2.824 4.376 11.709 1.00 0.94 C ATOM 0 H ALA A 8 3.403 3.803 14.065 1.00 1.16 H new ATOM 0 HA ALA A 8 1.825 2.500 12.057 1.00 0.92 H new ATOM 0 HB1 ALA A 8 2.685 4.355 10.628 1.00 0.94 H new ATOM 0 HB2 ALA A 8 2.020 4.952 12.167 1.00 0.94 H new ATOM 0 HB3 ALA A 8 3.782 4.841 11.943 1.00 0.94 H new ATOM 126 N LEU A 9 5.140 2.212 11.784 1.00 1.13 N ATOM 127 CA LEU A 9 6.183 1.464 11.063 1.00 1.15 C ATOM 128 C LEU A 9 6.176 -0.035 11.416 1.00 1.12 C ATOM 129 O LEU A 9 6.060 -0.844 10.492 1.00 1.08 O ATOM 130 CB LEU A 9 7.573 2.108 11.267 1.00 1.24 C ATOM 131 CG LEU A 9 7.956 3.204 10.244 1.00 1.21 C ATOM 132 CD1 LEU A 9 8.157 2.648 8.823 1.00 1.35 C ATOM 133 CD2 LEU A 9 6.920 4.334 10.192 1.00 1.19 C ATOM 0 H LEU A 9 5.504 2.856 12.486 1.00 1.13 H new ATOM 0 HA LEU A 9 5.950 1.525 10.000 1.00 1.15 H new ATOM 0 HB2 LEU A 9 7.611 2.540 12.267 1.00 1.24 H new ATOM 0 HB3 LEU A 9 8.327 1.322 11.231 1.00 1.24 H new ATOM 0 HG LEU A 9 8.906 3.603 10.599 1.00 1.21 H new ATOM 0 HD11 LEU A 9 8.424 3.461 8.148 1.00 1.35 H new ATOM 0 HD12 LEU A 9 8.956 1.907 8.832 1.00 1.35 H new ATOM 0 HD13 LEU A 9 7.233 2.181 8.481 1.00 1.35 H new ATOM 0 HD21 LEU A 9 7.231 5.080 9.460 1.00 1.19 H new ATOM 0 HD22 LEU A 9 5.951 3.926 9.905 1.00 1.19 H new ATOM 0 HD23 LEU A 9 6.841 4.800 11.174 1.00 1.19 H new ATOM 145 N THR A 10 6.161 -0.409 12.708 1.00 1.16 N ATOM 146 CA THR A 10 5.864 -1.771 13.210 1.00 1.21 C ATOM 147 C THR A 10 4.704 -2.405 12.447 1.00 1.03 C ATOM 148 O THR A 10 4.844 -3.522 11.947 1.00 1.02 O ATOM 149 CB THR A 10 5.570 -1.738 14.717 1.00 1.37 C ATOM 150 OG1 THR A 10 6.770 -1.590 15.432 1.00 1.72 O ATOM 151 CG2 THR A 10 4.960 -3.040 15.248 1.00 1.85 C ATOM 0 H THR A 10 6.362 0.249 13.461 1.00 1.16 H new ATOM 0 HA THR A 10 6.747 -2.388 13.042 1.00 1.21 H new ATOM 0 HB THR A 10 4.871 -0.912 14.853 1.00 1.37 H new ATOM 0 HG1 THR A 10 7.184 -0.732 15.202 1.00 1.72 H new ATOM 0 HG21 THR A 10 4.778 -2.946 16.319 1.00 1.85 H new ATOM 0 HG22 THR A 10 4.018 -3.236 14.736 1.00 1.85 H new ATOM 0 HG23 THR A 10 5.649 -3.865 15.068 1.00 1.85 H new ATOM 159 N THR A 11 3.575 -1.699 12.296 1.00 0.92 N ATOM 160 CA THR A 11 2.388 -2.207 11.589 1.00 0.84 C ATOM 161 C THR A 11 2.666 -2.390 10.103 1.00 0.73 C ATOM 162 O THR A 11 2.406 -3.471 9.571 1.00 0.68 O ATOM 163 CB THR A 11 1.186 -1.298 11.845 1.00 0.87 C ATOM 164 OG1 THR A 11 0.916 -1.363 13.221 1.00 1.27 O ATOM 165 CG2 THR A 11 -0.083 -1.740 11.118 1.00 0.86 C ATOM 0 H THR A 11 3.457 -0.754 12.662 1.00 0.92 H new ATOM 0 HA THR A 11 2.144 -3.193 11.984 1.00 0.84 H new ATOM 0 HB THR A 11 1.440 -0.301 11.484 1.00 0.87 H new ATOM 0 HG1 THR A 11 1.160 -0.513 13.643 1.00 1.27 H new ATOM 0 HG21 THR A 11 -0.893 -1.048 11.347 1.00 0.86 H new ATOM 0 HG22 THR A 11 0.097 -1.745 10.043 1.00 0.86 H new ATOM 0 HG23 THR A 11 -0.359 -2.743 11.445 1.00 0.86 H new ATOM 173 N MET A 12 3.259 -1.389 9.443 1.00 0.73 N ATOM 174 CA MET A 12 3.687 -1.480 8.038 1.00 0.65 C ATOM 175 C MET A 12 4.667 -2.633 7.782 1.00 0.65 C ATOM 176 O MET A 12 4.519 -3.294 6.757 1.00 0.51 O ATOM 177 CB MET A 12 4.311 -0.160 7.558 1.00 0.73 C ATOM 178 CG MET A 12 3.274 0.951 7.396 1.00 0.98 C ATOM 179 SD MET A 12 3.996 2.550 6.951 1.00 1.19 S ATOM 180 CE MET A 12 2.797 3.131 5.722 1.00 0.74 C ATOM 0 H MET A 12 3.458 -0.484 9.870 1.00 0.73 H new ATOM 0 HA MET A 12 2.781 -1.684 7.467 1.00 0.65 H new ATOM 0 HB2 MET A 12 5.072 0.159 8.270 1.00 0.73 H new ATOM 0 HB3 MET A 12 4.814 -0.325 6.605 1.00 0.73 H new ATOM 0 HG2 MET A 12 2.556 0.659 6.629 1.00 0.98 H new ATOM 0 HG3 MET A 12 2.719 1.058 8.328 1.00 0.98 H new ATOM 0 HE1 MET A 12 2.821 4.220 5.677 1.00 0.74 H new ATOM 0 HE2 MET A 12 3.051 2.721 4.744 1.00 0.74 H new ATOM 0 HE3 MET A 12 1.797 2.802 6.005 1.00 0.74 H new ATOM 190 N VAL A 13 5.630 -2.905 8.674 1.00 0.88 N ATOM 191 CA VAL A 13 6.569 -4.033 8.516 1.00 0.94 C ATOM 192 C VAL A 13 5.909 -5.377 8.852 1.00 0.93 C ATOM 193 O VAL A 13 6.214 -6.370 8.199 1.00 0.94 O ATOM 194 CB VAL A 13 7.913 -3.879 9.281 1.00 1.10 C ATOM 195 CG1 VAL A 13 8.708 -2.635 8.853 1.00 1.20 C ATOM 196 CG2 VAL A 13 7.788 -3.882 10.807 1.00 1.21 C ATOM 0 H VAL A 13 5.782 -2.356 9.520 1.00 0.88 H new ATOM 0 HA VAL A 13 6.829 -4.017 7.458 1.00 0.94 H new ATOM 0 HB VAL A 13 8.458 -4.778 8.994 1.00 1.10 H new ATOM 0 HG11 VAL A 13 9.636 -2.583 9.422 1.00 1.20 H new ATOM 0 HG12 VAL A 13 8.938 -2.698 7.789 1.00 1.20 H new ATOM 0 HG13 VAL A 13 8.115 -1.741 9.043 1.00 1.20 H new ATOM 0 HG21 VAL A 13 8.776 -3.770 11.253 1.00 1.21 H new ATOM 0 HG22 VAL A 13 7.152 -3.055 11.122 1.00 1.21 H new ATOM 0 HG23 VAL A 13 7.347 -4.824 11.134 1.00 1.21 H new ATOM 206 N THR A 14 4.975 -5.408 9.816 1.00 0.95 N ATOM 207 CA THR A 14 4.246 -6.626 10.221 1.00 0.99 C ATOM 208 C THR A 14 3.282 -7.094 9.137 1.00 0.95 C ATOM 209 O THR A 14 3.149 -8.297 8.929 1.00 1.17 O ATOM 210 CB THR A 14 3.508 -6.390 11.543 1.00 1.03 C ATOM 211 OG1 THR A 14 4.475 -6.115 12.520 1.00 1.15 O ATOM 212 CG2 THR A 14 2.721 -7.606 12.034 1.00 1.42 C ATOM 0 H THR A 14 4.700 -4.580 10.344 1.00 0.95 H new ATOM 0 HA THR A 14 4.979 -7.420 10.366 1.00 0.99 H new ATOM 0 HB THR A 14 2.800 -5.578 11.376 1.00 1.03 H new ATOM 0 HG1 THR A 14 4.824 -5.209 12.389 1.00 1.15 H new ATOM 0 HG21 THR A 14 2.226 -7.363 12.974 1.00 1.42 H new ATOM 0 HG22 THR A 14 1.973 -7.880 11.290 1.00 1.42 H new ATOM 0 HG23 THR A 14 3.403 -8.442 12.188 1.00 1.42 H new ATOM 220 N THR A 15 2.640 -6.158 8.432 1.00 0.73 N ATOM 221 CA THR A 15 1.793 -6.421 7.260 1.00 0.62 C ATOM 222 C THR A 15 2.638 -6.746 6.034 1.00 0.55 C ATOM 223 O THR A 15 2.397 -7.780 5.424 1.00 0.66 O ATOM 224 CB THR A 15 0.844 -5.245 6.972 1.00 0.58 C ATOM 225 OG1 THR A 15 1.552 -4.036 7.064 1.00 1.07 O ATOM 226 CG2 THR A 15 -0.309 -5.176 7.976 1.00 0.88 C ATOM 0 H THR A 15 2.695 -5.167 8.666 1.00 0.73 H new ATOM 0 HA THR A 15 1.180 -7.292 7.492 1.00 0.62 H new ATOM 0 HB THR A 15 0.439 -5.401 5.972 1.00 0.58 H new ATOM 0 HG1 THR A 15 1.706 -3.818 8.007 1.00 1.07 H new ATOM 0 HG21 THR A 15 -0.953 -4.331 7.733 1.00 0.88 H new ATOM 0 HG22 THR A 15 -0.888 -6.098 7.929 1.00 0.88 H new ATOM 0 HG23 THR A 15 0.091 -5.050 8.982 1.00 0.88 H new ATOM 234 N PHE A 16 3.658 -5.945 5.702 1.00 0.53 N ATOM 235 CA PHE A 16 4.530 -6.189 4.547 1.00 0.53 C ATOM 236 C PHE A 16 5.287 -7.517 4.645 1.00 0.54 C ATOM 237 O PHE A 16 5.210 -8.315 3.720 1.00 0.54 O ATOM 238 CB PHE A 16 5.504 -5.026 4.373 1.00 0.59 C ATOM 239 CG PHE A 16 6.389 -5.102 3.141 1.00 0.61 C ATOM 240 CD1 PHE A 16 5.939 -4.619 1.894 1.00 1.89 C ATOM 241 CD2 PHE A 16 7.687 -5.633 3.246 1.00 2.04 C ATOM 242 CE1 PHE A 16 6.792 -4.630 0.775 1.00 1.89 C ATOM 243 CE2 PHE A 16 8.523 -5.668 2.121 1.00 2.05 C ATOM 244 CZ PHE A 16 8.087 -5.168 0.882 1.00 0.65 C ATOM 0 H PHE A 16 3.902 -5.107 6.229 1.00 0.53 H new ATOM 0 HA PHE A 16 3.889 -6.262 3.669 1.00 0.53 H new ATOM 0 HB2 PHE A 16 4.933 -4.098 4.334 1.00 0.59 H new ATOM 0 HB3 PHE A 16 6.141 -4.972 5.256 1.00 0.59 H new ATOM 0 HD1 PHE A 16 4.933 -4.238 1.798 1.00 1.89 H new ATOM 0 HD2 PHE A 16 8.040 -6.014 4.193 1.00 2.04 H new ATOM 0 HE1 PHE A 16 6.452 -4.225 -0.167 1.00 1.89 H new ATOM 0 HE2 PHE A 16 9.516 -6.085 2.208 1.00 2.05 H new ATOM 0 HZ PHE A 16 8.739 -5.197 0.022 1.00 0.65 H new ATOM 254 N HIS A 17 5.971 -7.815 5.753 1.00 0.61 N ATOM 255 CA HIS A 17 6.646 -9.107 5.931 1.00 0.65 C ATOM 256 C HIS A 17 5.665 -10.301 5.958 1.00 0.67 C ATOM 257 O HIS A 17 6.077 -11.436 5.742 1.00 0.80 O ATOM 258 CB HIS A 17 7.549 -9.057 7.173 1.00 0.79 C ATOM 259 CG HIS A 17 8.487 -10.237 7.283 1.00 1.05 C ATOM 260 ND1 HIS A 17 8.227 -11.426 7.926 1.00 1.77 N ATOM 261 CD2 HIS A 17 9.740 -10.343 6.740 1.00 1.46 C ATOM 262 CE1 HIS A 17 9.295 -12.223 7.776 1.00 2.08 C ATOM 263 NE2 HIS A 17 10.247 -11.608 7.059 1.00 1.80 N ATOM 0 H HIS A 17 6.073 -7.178 6.543 1.00 0.61 H new ATOM 0 HA HIS A 17 7.274 -9.280 5.057 1.00 0.65 H new ATOM 0 HB2 HIS A 17 8.135 -8.138 7.150 1.00 0.79 H new ATOM 0 HB3 HIS A 17 6.924 -9.015 8.065 1.00 0.79 H new ATOM 0 HD2 HIS A 17 10.248 -9.583 6.166 1.00 1.46 H new ATOM 0 HE1 HIS A 17 9.377 -13.222 8.177 1.00 2.08 H new ATOM 0 HE2 HIS A 17 11.158 -11.986 6.798 1.00 1.80 H new ATOM 272 N LYS A 18 4.350 -10.088 6.130 1.00 0.67 N ATOM 273 CA LYS A 18 3.356 -11.159 5.966 1.00 0.75 C ATOM 274 C LYS A 18 3.223 -11.644 4.508 1.00 0.69 C ATOM 275 O LYS A 18 2.810 -12.780 4.273 1.00 0.87 O ATOM 276 CB LYS A 18 2.000 -10.689 6.532 1.00 0.87 C ATOM 277 CG LYS A 18 1.189 -11.882 7.036 1.00 1.31 C ATOM 278 CD LYS A 18 -0.188 -11.478 7.568 1.00 1.83 C ATOM 279 CE LYS A 18 -0.874 -12.743 8.104 1.00 2.31 C ATOM 280 NZ LYS A 18 -2.219 -12.460 8.656 1.00 3.14 N ATOM 0 H LYS A 18 3.952 -9.184 6.383 1.00 0.67 H new ATOM 0 HA LYS A 18 3.705 -12.025 6.529 1.00 0.75 H new ATOM 0 HB2 LYS A 18 2.164 -9.983 7.346 1.00 0.87 H new ATOM 0 HB3 LYS A 18 1.440 -10.161 5.760 1.00 0.87 H new ATOM 0 HG2 LYS A 18 1.064 -12.600 6.225 1.00 1.31 H new ATOM 0 HG3 LYS A 18 1.745 -12.387 7.826 1.00 1.31 H new ATOM 0 HD2 LYS A 18 -0.089 -10.733 8.358 1.00 1.83 H new ATOM 0 HD3 LYS A 18 -0.786 -11.026 6.777 1.00 1.83 H new ATOM 0 HE2 LYS A 18 -0.960 -13.475 7.301 1.00 2.31 H new ATOM 0 HE3 LYS A 18 -0.252 -13.191 8.879 1.00 2.31 H new ATOM 0 HZ1 LYS A 18 -2.643 -13.343 9.006 1.00 3.14 H new ATOM 0 HZ2 LYS A 18 -2.137 -11.781 9.440 1.00 3.14 H new ATOM 0 HZ3 LYS A 18 -2.822 -12.057 7.911 1.00 3.14 H new ATOM 294 N TYR A 19 3.588 -10.805 3.530 1.00 0.57 N ATOM 295 CA TYR A 19 3.606 -11.115 2.091 1.00 0.63 C ATOM 296 C TYR A 19 5.031 -11.134 1.491 1.00 0.78 C ATOM 297 O TYR A 19 5.257 -11.814 0.493 1.00 1.20 O ATOM 298 CB TYR A 19 2.717 -10.096 1.356 1.00 0.58 C ATOM 299 CG TYR A 19 1.252 -10.133 1.756 1.00 0.55 C ATOM 300 CD1 TYR A 19 0.801 -9.379 2.856 1.00 1.81 C ATOM 301 CD2 TYR A 19 0.333 -10.928 1.037 1.00 2.02 C ATOM 302 CE1 TYR A 19 -0.541 -9.449 3.278 1.00 1.76 C ATOM 303 CE2 TYR A 19 -1.016 -10.989 1.438 1.00 2.10 C ATOM 304 CZ TYR A 19 -1.445 -10.271 2.579 1.00 0.66 C ATOM 305 OH TYR A 19 -2.723 -10.366 3.023 1.00 0.77 O ATOM 0 H TYR A 19 3.892 -9.851 3.726 1.00 0.57 H new ATOM 0 HA TYR A 19 3.217 -12.125 1.960 1.00 0.63 H new ATOM 0 HB2 TYR A 19 3.106 -9.094 1.540 1.00 0.58 H new ATOM 0 HB3 TYR A 19 2.792 -10.275 0.283 1.00 0.58 H new ATOM 0 HD1 TYR A 19 1.493 -8.739 3.383 1.00 1.81 H new ATOM 0 HD2 TYR A 19 0.665 -11.491 0.177 1.00 2.02 H new ATOM 0 HE1 TYR A 19 -0.874 -8.877 4.131 1.00 1.76 H new ATOM 0 HE2 TYR A 19 -1.721 -11.583 0.876 1.00 2.10 H new ATOM 0 HH TYR A 19 -2.980 -9.529 3.463 1.00 0.77 H new ATOM 315 N SER A 20 5.986 -10.428 2.099 1.00 0.84 N ATOM 316 CA SER A 20 7.406 -10.380 1.711 1.00 1.04 C ATOM 317 C SER A 20 8.278 -11.430 2.420 1.00 1.29 C ATOM 318 O SER A 20 9.284 -11.855 1.861 1.00 2.00 O ATOM 319 CB SER A 20 7.948 -8.966 1.983 1.00 1.20 C ATOM 320 OG SER A 20 9.349 -8.895 1.808 1.00 2.02 O ATOM 0 H SER A 20 5.787 -9.846 2.913 1.00 0.84 H new ATOM 0 HA SER A 20 7.459 -10.620 0.649 1.00 1.04 H new ATOM 0 HB2 SER A 20 7.462 -8.256 1.313 1.00 1.20 H new ATOM 0 HB3 SER A 20 7.694 -8.669 3.001 1.00 1.20 H new ATOM 0 HG SER A 20 9.577 -9.145 0.888 1.00 2.02 H new ATOM 326 N GLY A 21 7.890 -11.941 3.597 1.00 1.09 N ATOM 327 CA GLY A 21 8.584 -13.037 4.295 1.00 1.26 C ATOM 328 C GLY A 21 8.319 -14.399 3.651 1.00 1.49 C ATOM 329 O GLY A 21 8.129 -15.397 4.344 1.00 1.71 O ATOM 0 H GLY A 21 7.071 -11.600 4.101 1.00 1.09 H new ATOM 0 HA2 GLY A 21 9.656 -12.842 4.297 1.00 1.26 H new ATOM 0 HA3 GLY A 21 8.263 -13.062 5.336 1.00 1.26 H new ATOM 332 N ARG A 22 8.219 -14.424 2.316 1.00 1.98 N ATOM 333 CA ARG A 22 7.699 -15.523 1.506 1.00 2.32 C ATOM 334 C ARG A 22 8.812 -16.422 0.959 1.00 2.49 C ATOM 335 O ARG A 22 8.671 -17.637 1.059 1.00 2.72 O ATOM 336 CB ARG A 22 6.886 -14.912 0.348 1.00 3.05 C ATOM 337 CG ARG A 22 5.846 -15.874 -0.233 1.00 2.97 C ATOM 338 CD ARG A 22 4.617 -15.961 0.681 1.00 2.13 C ATOM 339 NE ARG A 22 3.605 -16.901 0.159 1.00 2.39 N ATOM 340 CZ ARG A 22 3.349 -18.130 0.595 1.00 3.48 C ATOM 341 NH1 ARG A 22 4.124 -18.742 1.470 1.00 4.79 N ATOM 342 NH2 ARG A 22 2.289 -18.767 0.147 1.00 4.24 N ATOM 0 H ARG A 22 8.516 -13.633 1.745 1.00 1.98 H new ATOM 0 HA ARG A 22 7.072 -16.158 2.132 1.00 2.32 H new ATOM 0 HB2 ARG A 22 6.382 -14.013 0.702 1.00 3.05 H new ATOM 0 HB3 ARG A 22 7.569 -14.604 -0.444 1.00 3.05 H new ATOM 0 HG2 ARG A 22 5.545 -15.536 -1.225 1.00 2.97 H new ATOM 0 HG3 ARG A 22 6.286 -16.864 -0.354 1.00 2.97 H new ATOM 0 HD2 ARG A 22 4.927 -16.278 1.677 1.00 2.13 H new ATOM 0 HD3 ARG A 22 4.173 -14.971 0.786 1.00 2.13 H new ATOM 0 HE ARG A 22 3.040 -16.570 -0.623 1.00 2.39 H new ATOM 0 HH11 ARG A 22 4.952 -18.271 1.835 1.00 4.79 H new ATOM 0 HH12 ARG A 22 3.895 -19.686 1.781 1.00 4.79 H new ATOM 0 HH21 ARG A 22 1.672 -18.317 -0.529 1.00 4.24 H new ATOM 0 HH22 ARG A 22 2.084 -19.711 0.476 1.00 4.24 H new ATOM 356 N GLU A 23 9.855 -15.805 0.390 1.00 2.61 N ATOM 357 CA GLU A 23 11.021 -16.336 -0.330 1.00 3.08 C ATOM 358 C GLU A 23 11.617 -15.207 -1.191 1.00 3.04 C ATOM 359 O GLU A 23 11.029 -14.128 -1.269 1.00 3.90 O ATOM 360 CB GLU A 23 10.721 -17.593 -1.191 1.00 3.43 C ATOM 361 CG GLU A 23 11.558 -18.790 -0.732 1.00 5.36 C ATOM 362 CD GLU A 23 13.029 -18.604 -1.113 1.00 7.17 C ATOM 363 OE1 GLU A 23 13.698 -17.768 -0.461 1.00 8.22 O ATOM 364 OE2 GLU A 23 13.453 -19.257 -2.090 1.00 7.95 O ATOM 0 H GLU A 23 9.908 -14.787 0.429 1.00 2.61 H new ATOM 0 HA GLU A 23 11.738 -16.677 0.416 1.00 3.08 H new ATOM 0 HB2 GLU A 23 9.661 -17.839 -1.123 1.00 3.43 H new ATOM 0 HB3 GLU A 23 10.932 -17.378 -2.239 1.00 3.43 H new ATOM 0 HG2 GLU A 23 11.470 -18.908 0.348 1.00 5.36 H new ATOM 0 HG3 GLU A 23 11.173 -19.704 -1.185 1.00 5.36 H new ATOM 371 N GLY A 24 12.757 -15.439 -1.849 1.00 3.24 N ATOM 372 CA GLY A 24 13.319 -14.548 -2.872 1.00 3.52 C ATOM 373 C GLY A 24 14.184 -13.454 -2.261 1.00 3.35 C ATOM 374 O GLY A 24 15.392 -13.426 -2.489 1.00 4.45 O ATOM 0 H GLY A 24 13.328 -16.268 -1.683 1.00 3.24 H new ATOM 0 HA2 GLY A 24 13.915 -15.132 -3.574 1.00 3.52 H new ATOM 0 HA3 GLY A 24 12.509 -14.094 -3.442 1.00 3.52 H new ATOM 377 N SER A 25 13.592 -12.581 -1.446 1.00 2.37 N ATOM 378 CA SER A 25 14.333 -11.632 -0.603 1.00 2.14 C ATOM 379 C SER A 25 13.464 -11.073 0.523 1.00 1.95 C ATOM 380 O SER A 25 12.322 -10.675 0.312 1.00 2.12 O ATOM 381 CB SER A 25 14.963 -10.506 -1.433 1.00 2.74 C ATOM 382 OG SER A 25 16.233 -10.919 -1.900 1.00 3.86 O ATOM 0 H SER A 25 12.579 -12.509 -1.349 1.00 2.37 H new ATOM 0 HA SER A 25 15.146 -12.190 -0.139 1.00 2.14 H new ATOM 0 HB2 SER A 25 14.318 -10.256 -2.275 1.00 2.74 H new ATOM 0 HB3 SER A 25 15.061 -9.605 -0.828 1.00 2.74 H new ATOM 0 HG SER A 25 16.187 -11.855 -2.188 1.00 3.86 H new ATOM 388 N LYS A 26 14.005 -11.016 1.747 1.00 1.88 N ATOM 389 CA LYS A 26 13.224 -10.912 3.003 1.00 1.82 C ATOM 390 C LYS A 26 12.660 -9.494 3.273 1.00 1.46 C ATOM 391 O LYS A 26 12.318 -9.133 4.398 1.00 1.87 O ATOM 392 CB LYS A 26 14.102 -11.444 4.152 1.00 2.21 C ATOM 393 CG LYS A 26 14.467 -12.944 3.995 1.00 2.61 C ATOM 394 CD LYS A 26 15.731 -13.377 4.756 1.00 3.14 C ATOM 395 CE LYS A 26 16.954 -12.667 4.164 1.00 4.12 C ATOM 396 NZ LYS A 26 18.223 -12.938 4.872 1.00 4.88 N ATOM 0 H LYS A 26 15.013 -11.041 1.903 1.00 1.88 H new ATOM 0 HA LYS A 26 12.326 -11.524 2.914 1.00 1.82 H new ATOM 0 HB2 LYS A 26 15.019 -10.857 4.203 1.00 2.21 H new ATOM 0 HB3 LYS A 26 13.579 -11.301 5.097 1.00 2.21 H new ATOM 0 HG2 LYS A 26 13.627 -13.547 4.339 1.00 2.61 H new ATOM 0 HG3 LYS A 26 14.603 -13.163 2.936 1.00 2.61 H new ATOM 0 HD2 LYS A 26 15.633 -13.133 5.814 1.00 3.14 H new ATOM 0 HD3 LYS A 26 15.857 -14.458 4.688 1.00 3.14 H new ATOM 0 HE2 LYS A 26 17.063 -12.967 3.122 1.00 4.12 H new ATOM 0 HE3 LYS A 26 16.772 -11.592 4.169 1.00 4.12 H new ATOM 0 HZ1 LYS A 26 18.912 -12.193 4.647 1.00 4.88 H new ATOM 0 HZ2 LYS A 26 18.052 -12.953 5.898 1.00 4.88 H new ATOM 0 HZ3 LYS A 26 18.599 -13.860 4.571 1.00 4.88 H new ATOM 410 N LEU A 27 12.593 -8.683 2.216 1.00 1.02 N ATOM 411 CA LEU A 27 12.085 -7.312 2.142 1.00 1.03 C ATOM 412 C LEU A 27 11.600 -6.902 0.731 1.00 0.79 C ATOM 413 O LEU A 27 11.343 -5.717 0.517 1.00 0.82 O ATOM 414 CB LEU A 27 13.104 -6.324 2.751 1.00 1.64 C ATOM 415 CG LEU A 27 14.317 -5.940 1.876 1.00 2.39 C ATOM 416 CD1 LEU A 27 15.257 -5.069 2.720 1.00 2.66 C ATOM 417 CD2 LEU A 27 15.066 -7.160 1.327 1.00 3.61 C ATOM 0 H LEU A 27 12.924 -8.999 1.305 1.00 1.02 H new ATOM 0 HA LEU A 27 11.182 -7.271 2.751 1.00 1.03 H new ATOM 0 HB2 LEU A 27 12.573 -5.409 3.014 1.00 1.64 H new ATOM 0 HB3 LEU A 27 13.479 -6.754 3.680 1.00 1.64 H new ATOM 0 HG LEU A 27 13.955 -5.393 1.006 1.00 2.39 H new ATOM 0 HD11 LEU A 27 16.123 -4.784 2.123 1.00 2.66 H new ATOM 0 HD12 LEU A 27 14.729 -4.172 3.044 1.00 2.66 H new ATOM 0 HD13 LEU A 27 15.587 -5.631 3.594 1.00 2.66 H new ATOM 0 HD21 LEU A 27 15.908 -6.827 0.720 1.00 3.61 H new ATOM 0 HD22 LEU A 27 15.433 -7.765 2.156 1.00 3.61 H new ATOM 0 HD23 LEU A 27 14.390 -7.756 0.714 1.00 3.61 H new ATOM 429 N THR A 28 11.462 -7.853 -0.212 1.00 0.74 N ATOM 430 CA THR A 28 10.766 -7.654 -1.494 1.00 0.65 C ATOM 431 C THR A 28 9.558 -8.582 -1.631 1.00 0.64 C ATOM 432 O THR A 28 9.347 -9.461 -0.794 1.00 0.77 O ATOM 433 CB THR A 28 11.697 -7.808 -2.709 1.00 0.68 C ATOM 434 OG1 THR A 28 12.120 -9.147 -2.840 1.00 0.81 O ATOM 435 CG2 THR A 28 12.939 -6.923 -2.629 1.00 0.85 C ATOM 0 H THR A 28 11.837 -8.795 -0.101 1.00 0.74 H new ATOM 0 HA THR A 28 10.413 -6.623 -1.483 1.00 0.65 H new ATOM 0 HB THR A 28 11.111 -7.497 -3.574 1.00 0.68 H new ATOM 0 HG1 THR A 28 12.307 -9.340 -3.782 1.00 0.81 H new ATOM 0 HG21 THR A 28 13.554 -7.078 -3.515 1.00 0.85 H new ATOM 0 HG22 THR A 28 12.638 -5.877 -2.575 1.00 0.85 H new ATOM 0 HG23 THR A 28 13.513 -7.181 -1.739 1.00 0.85 H new ATOM 443 N LEU A 29 8.764 -8.375 -2.682 1.00 0.60 N ATOM 444 CA LEU A 29 7.626 -9.200 -3.128 1.00 0.60 C ATOM 445 C LEU A 29 7.268 -8.847 -4.582 1.00 0.64 C ATOM 446 O LEU A 29 7.768 -7.844 -5.093 1.00 0.72 O ATOM 447 CB LEU A 29 6.429 -9.082 -2.149 1.00 0.62 C ATOM 448 CG LEU A 29 5.586 -7.783 -2.194 1.00 0.69 C ATOM 449 CD1 LEU A 29 4.565 -7.813 -1.048 1.00 0.84 C ATOM 450 CD2 LEU A 29 6.401 -6.497 -2.047 1.00 0.81 C ATOM 0 H LEU A 29 8.904 -7.570 -3.292 1.00 0.60 H new ATOM 0 HA LEU A 29 7.909 -10.252 -3.114 1.00 0.60 H new ATOM 0 HB2 LEU A 29 5.760 -9.922 -2.335 1.00 0.62 H new ATOM 0 HB3 LEU A 29 6.812 -9.198 -1.135 1.00 0.62 H new ATOM 0 HG LEU A 29 5.120 -7.763 -3.179 1.00 0.69 H new ATOM 0 HD11 LEU A 29 3.966 -6.903 -1.070 1.00 0.84 H new ATOM 0 HD12 LEU A 29 3.913 -8.679 -1.164 1.00 0.84 H new ATOM 0 HD13 LEU A 29 5.090 -7.879 -0.095 1.00 0.84 H new ATOM 0 HD21 LEU A 29 5.733 -5.636 -2.089 1.00 0.81 H new ATOM 0 HD22 LEU A 29 6.923 -6.504 -1.090 1.00 0.81 H new ATOM 0 HD23 LEU A 29 7.128 -6.433 -2.856 1.00 0.81 H new ATOM 462 N SER A 30 6.409 -9.606 -5.268 1.00 0.71 N ATOM 463 CA SER A 30 5.966 -9.174 -6.604 1.00 0.84 C ATOM 464 C SER A 30 4.894 -8.071 -6.541 1.00 0.87 C ATOM 465 O SER A 30 4.170 -7.898 -5.551 1.00 0.93 O ATOM 466 CB SER A 30 5.522 -10.336 -7.516 1.00 1.10 C ATOM 467 OG SER A 30 4.112 -10.504 -7.544 1.00 1.83 O ATOM 0 H SER A 30 6.017 -10.489 -4.941 1.00 0.71 H new ATOM 0 HA SER A 30 6.854 -8.745 -7.068 1.00 0.84 H new ATOM 0 HB2 SER A 30 5.882 -10.155 -8.529 1.00 1.10 H new ATOM 0 HB3 SER A 30 5.987 -11.260 -7.172 1.00 1.10 H new ATOM 0 HG SER A 30 3.771 -10.557 -6.627 1.00 1.83 H new ATOM 473 N ARG A 31 4.738 -7.352 -7.653 1.00 0.89 N ATOM 474 CA ARG A 31 3.696 -6.337 -7.828 1.00 0.90 C ATOM 475 C ARG A 31 2.274 -6.861 -7.523 1.00 0.92 C ATOM 476 O ARG A 31 1.428 -6.081 -7.086 1.00 1.00 O ATOM 477 CB ARG A 31 3.762 -5.809 -9.266 1.00 0.97 C ATOM 478 CG ARG A 31 3.475 -4.311 -9.343 1.00 2.06 C ATOM 479 CD ARG A 31 4.720 -3.478 -9.021 1.00 2.04 C ATOM 480 NE ARG A 31 4.357 -2.185 -8.403 1.00 2.83 N ATOM 481 CZ ARG A 31 5.082 -1.070 -8.365 1.00 3.04 C ATOM 482 NH1 ARG A 31 6.214 -0.962 -9.015 1.00 2.91 N ATOM 483 NH2 ARG A 31 4.676 -0.038 -7.664 1.00 3.93 N ATOM 0 H ARG A 31 5.340 -7.459 -8.470 1.00 0.89 H new ATOM 0 HA ARG A 31 3.888 -5.541 -7.109 1.00 0.90 H new ATOM 0 HB2 ARG A 31 4.750 -6.010 -9.680 1.00 0.97 H new ATOM 0 HB3 ARG A 31 3.042 -6.347 -9.883 1.00 0.97 H new ATOM 0 HG2 ARG A 31 3.117 -4.060 -10.342 1.00 2.06 H new ATOM 0 HG3 ARG A 31 2.677 -4.057 -8.645 1.00 2.06 H new ATOM 0 HD2 ARG A 31 5.369 -4.036 -8.346 1.00 2.04 H new ATOM 0 HD3 ARG A 31 5.287 -3.300 -9.935 1.00 2.04 H new ATOM 0 HE ARG A 31 3.443 -2.143 -7.953 1.00 2.83 H new ATOM 0 HH11 ARG A 31 6.561 -1.745 -9.569 1.00 2.91 H new ATOM 0 HH12 ARG A 31 6.749 -0.095 -8.967 1.00 2.91 H new ATOM 0 HH21 ARG A 31 3.800 -0.088 -7.144 1.00 3.93 H new ATOM 0 HH22 ARG A 31 5.236 0.814 -7.639 1.00 3.93 H new ATOM 497 N LYS A 32 2.021 -8.165 -7.721 1.00 0.94 N ATOM 498 CA LYS A 32 0.739 -8.816 -7.405 1.00 0.99 C ATOM 499 C LYS A 32 0.436 -8.742 -5.906 1.00 1.08 C ATOM 500 O LYS A 32 -0.598 -8.197 -5.519 1.00 1.33 O ATOM 501 CB LYS A 32 0.729 -10.279 -7.864 1.00 1.08 C ATOM 502 CG LYS A 32 0.867 -10.362 -9.380 1.00 1.97 C ATOM 503 CD LYS A 32 0.720 -11.800 -9.864 1.00 2.46 C ATOM 504 CE LYS A 32 0.872 -11.836 -11.387 1.00 3.67 C ATOM 505 NZ LYS A 32 2.274 -11.625 -11.815 1.00 5.09 N ATOM 0 H LYS A 32 2.712 -8.806 -8.111 1.00 0.94 H new ATOM 0 HA LYS A 32 -0.037 -8.276 -7.947 1.00 0.99 H new ATOM 0 HB2 LYS A 32 1.546 -10.822 -7.388 1.00 1.08 H new ATOM 0 HB3 LYS A 32 -0.198 -10.759 -7.550 1.00 1.08 H new ATOM 0 HG2 LYS A 32 0.110 -9.736 -9.852 1.00 1.97 H new ATOM 0 HG3 LYS A 32 1.838 -9.970 -9.682 1.00 1.97 H new ATOM 0 HD2 LYS A 32 1.474 -12.433 -9.396 1.00 2.46 H new ATOM 0 HD3 LYS A 32 -0.253 -12.196 -9.574 1.00 2.46 H new ATOM 0 HE2 LYS A 32 0.520 -12.797 -11.763 1.00 3.67 H new ATOM 0 HE3 LYS A 32 0.239 -11.068 -11.832 1.00 3.67 H new ATOM 0 HZ1 LYS A 32 2.289 -11.073 -12.697 1.00 5.09 H new ATOM 0 HZ2 LYS A 32 2.789 -11.108 -11.074 1.00 5.09 H new ATOM 0 HZ3 LYS A 32 2.730 -12.546 -11.975 1.00 5.09 H new ATOM 519 N GLU A 33 1.331 -9.249 -5.054 1.00 0.94 N ATOM 520 CA GLU A 33 1.122 -9.313 -3.608 1.00 1.00 C ATOM 521 C GLU A 33 0.924 -7.930 -2.974 1.00 0.99 C ATOM 522 O GLU A 33 0.061 -7.805 -2.109 1.00 1.03 O ATOM 523 CB GLU A 33 2.271 -10.047 -2.904 1.00 1.12 C ATOM 524 CG GLU A 33 2.284 -11.573 -3.098 1.00 1.19 C ATOM 525 CD GLU A 33 2.998 -12.065 -4.357 1.00 2.80 C ATOM 526 OE1 GLU A 33 3.242 -11.252 -5.283 1.00 4.25 O ATOM 527 OE2 GLU A 33 3.314 -13.271 -4.383 1.00 3.47 O ATOM 0 H GLU A 33 2.229 -9.630 -5.353 1.00 0.94 H new ATOM 0 HA GLU A 33 0.200 -9.877 -3.467 1.00 1.00 H new ATOM 0 HB2 GLU A 33 3.216 -9.642 -3.265 1.00 1.12 H new ATOM 0 HB3 GLU A 33 2.219 -9.832 -1.837 1.00 1.12 H new ATOM 0 HG2 GLU A 33 2.759 -12.029 -2.229 1.00 1.19 H new ATOM 0 HG3 GLU A 33 1.254 -11.929 -3.122 1.00 1.19 H new ATOM 534 N LEU A 34 1.629 -6.887 -3.444 1.00 0.95 N ATOM 535 CA LEU A 34 1.367 -5.496 -3.032 1.00 0.96 C ATOM 536 C LEU A 34 -0.101 -5.115 -3.253 1.00 0.90 C ATOM 537 O LEU A 34 -0.782 -4.639 -2.345 1.00 0.84 O ATOM 538 CB LEU A 34 2.308 -4.544 -3.801 1.00 0.98 C ATOM 539 CG LEU A 34 1.930 -3.045 -3.706 1.00 1.16 C ATOM 540 CD1 LEU A 34 1.964 -2.559 -2.259 1.00 1.54 C ATOM 541 CD2 LEU A 34 2.878 -2.151 -4.516 1.00 1.25 C ATOM 0 H LEU A 34 2.391 -6.982 -4.115 1.00 0.95 H new ATOM 0 HA LEU A 34 1.565 -5.405 -1.964 1.00 0.96 H new ATOM 0 HB2 LEU A 34 3.322 -4.674 -3.423 1.00 0.98 H new ATOM 0 HB3 LEU A 34 2.319 -4.836 -4.851 1.00 0.98 H new ATOM 0 HG LEU A 34 0.922 -2.969 -4.115 1.00 1.16 H new ATOM 0 HD11 LEU A 34 1.694 -1.503 -2.223 1.00 1.54 H new ATOM 0 HD12 LEU A 34 1.255 -3.135 -1.665 1.00 1.54 H new ATOM 0 HD13 LEU A 34 2.967 -2.691 -1.854 1.00 1.54 H new ATOM 0 HD21 LEU A 34 2.570 -1.110 -4.417 1.00 1.25 H new ATOM 0 HD22 LEU A 34 3.895 -2.266 -4.142 1.00 1.25 H new ATOM 0 HD23 LEU A 34 2.843 -2.441 -5.566 1.00 1.25 H new ATOM 553 N LYS A 35 -0.614 -5.316 -4.472 1.00 0.97 N ATOM 554 CA LYS A 35 -1.995 -4.984 -4.804 1.00 1.01 C ATOM 555 C LYS A 35 -2.989 -5.904 -4.066 1.00 0.87 C ATOM 556 O LYS A 35 -4.098 -5.476 -3.736 1.00 0.88 O ATOM 557 CB LYS A 35 -2.086 -4.950 -6.347 1.00 1.34 C ATOM 558 CG LYS A 35 -3.351 -5.502 -6.999 1.00 1.34 C ATOM 559 CD LYS A 35 -3.260 -7.019 -7.192 1.00 1.57 C ATOM 560 CE LYS A 35 -4.575 -7.497 -7.785 1.00 1.98 C ATOM 561 NZ LYS A 35 -4.501 -8.938 -8.100 1.00 2.96 N ATOM 0 H LYS A 35 -0.084 -5.711 -5.248 1.00 0.97 H new ATOM 0 HA LYS A 35 -2.294 -3.999 -4.445 1.00 1.01 H new ATOM 0 HB2 LYS A 35 -1.970 -3.914 -6.666 1.00 1.34 H new ATOM 0 HB3 LYS A 35 -1.236 -5.504 -6.745 1.00 1.34 H new ATOM 0 HG2 LYS A 35 -4.216 -5.263 -6.380 1.00 1.34 H new ATOM 0 HG3 LYS A 35 -3.506 -5.019 -7.964 1.00 1.34 H new ATOM 0 HD2 LYS A 35 -2.430 -7.270 -7.853 1.00 1.57 H new ATOM 0 HD3 LYS A 35 -3.069 -7.514 -6.240 1.00 1.57 H new ATOM 0 HE2 LYS A 35 -5.387 -7.313 -7.082 1.00 1.98 H new ATOM 0 HE3 LYS A 35 -4.801 -6.931 -8.689 1.00 1.98 H new ATOM 0 HZ1 LYS A 35 -5.427 -9.267 -8.441 1.00 2.96 H new ATOM 0 HZ2 LYS A 35 -3.784 -9.096 -8.837 1.00 2.96 H new ATOM 0 HZ3 LYS A 35 -4.240 -9.468 -7.244 1.00 2.96 H new ATOM 575 N GLU A 36 -2.595 -7.142 -3.772 1.00 0.86 N ATOM 576 CA GLU A 36 -3.437 -8.130 -3.128 1.00 0.87 C ATOM 577 C GLU A 36 -3.605 -7.799 -1.645 1.00 0.76 C ATOM 578 O GLU A 36 -4.745 -7.726 -1.195 1.00 0.93 O ATOM 579 CB GLU A 36 -2.848 -9.533 -3.368 1.00 1.05 C ATOM 580 CG GLU A 36 -3.931 -10.608 -3.350 1.00 1.49 C ATOM 581 CD GLU A 36 -4.992 -10.371 -4.435 1.00 2.16 C ATOM 582 OE1 GLU A 36 -4.627 -10.045 -5.589 1.00 3.40 O ATOM 583 OE2 GLU A 36 -6.194 -10.428 -4.089 1.00 2.24 O ATOM 0 H GLU A 36 -1.658 -7.487 -3.983 1.00 0.86 H new ATOM 0 HA GLU A 36 -4.437 -8.115 -3.561 1.00 0.87 H new ATOM 0 HB2 GLU A 36 -2.332 -9.552 -4.328 1.00 1.05 H new ATOM 0 HB3 GLU A 36 -2.104 -9.752 -2.602 1.00 1.05 H new ATOM 0 HG2 GLU A 36 -3.474 -11.586 -3.497 1.00 1.49 H new ATOM 0 HG3 GLU A 36 -4.410 -10.624 -2.371 1.00 1.49 H new ATOM 590 N LEU A 37 -2.499 -7.522 -0.935 1.00 0.65 N ATOM 591 CA LEU A 37 -2.409 -7.088 0.466 1.00 0.70 C ATOM 592 C LEU A 37 -3.433 -5.997 0.778 1.00 0.80 C ATOM 593 O LEU A 37 -4.232 -6.125 1.705 1.00 0.97 O ATOM 594 CB LEU A 37 -0.952 -6.618 0.720 1.00 0.75 C ATOM 595 CG LEU A 37 -0.679 -5.599 1.856 1.00 0.99 C ATOM 596 CD1 LEU A 37 -1.076 -6.070 3.261 1.00 1.34 C ATOM 597 CD2 LEU A 37 0.818 -5.249 1.867 1.00 1.38 C ATOM 0 H LEU A 37 -1.575 -7.602 -1.359 1.00 0.65 H new ATOM 0 HA LEU A 37 -2.647 -7.914 1.136 1.00 0.70 H new ATOM 0 HB2 LEU A 37 -0.351 -7.504 0.921 1.00 0.75 H new ATOM 0 HB3 LEU A 37 -0.580 -6.184 -0.208 1.00 0.75 H new ATOM 0 HG LEU A 37 -1.309 -4.738 1.634 1.00 0.99 H new ATOM 0 HD11 LEU A 37 -0.846 -5.289 3.985 1.00 1.34 H new ATOM 0 HD12 LEU A 37 -2.145 -6.284 3.285 1.00 1.34 H new ATOM 0 HD13 LEU A 37 -0.520 -6.973 3.513 1.00 1.34 H new ATOM 0 HD21 LEU A 37 1.018 -4.532 2.664 1.00 1.38 H new ATOM 0 HD22 LEU A 37 1.402 -6.154 2.037 1.00 1.38 H new ATOM 0 HD23 LEU A 37 1.097 -4.813 0.908 1.00 1.38 H new ATOM 609 N ILE A 38 -3.436 -4.950 -0.042 1.00 0.78 N ATOM 610 CA ILE A 38 -4.340 -3.805 0.092 1.00 0.94 C ATOM 611 C ILE A 38 -5.802 -4.259 0.005 1.00 1.00 C ATOM 612 O ILE A 38 -6.594 -3.871 0.842 1.00 1.40 O ATOM 613 CB ILE A 38 -3.944 -2.740 -0.955 1.00 0.97 C ATOM 614 CG1 ILE A 38 -2.566 -2.141 -0.567 1.00 1.16 C ATOM 615 CG2 ILE A 38 -5.001 -1.634 -1.111 1.00 1.19 C ATOM 616 CD1 ILE A 38 -1.910 -1.315 -1.678 1.00 1.25 C ATOM 0 H ILE A 38 -2.799 -4.869 -0.835 1.00 0.78 H new ATOM 0 HA ILE A 38 -4.245 -3.343 1.075 1.00 0.94 H new ATOM 0 HB ILE A 38 -3.879 -3.229 -1.927 1.00 0.97 H new ATOM 0 HG12 ILE A 38 -2.690 -1.512 0.314 1.00 1.16 H new ATOM 0 HG13 ILE A 38 -1.894 -2.953 -0.287 1.00 1.16 H new ATOM 0 HG21 ILE A 38 -4.668 -0.915 -1.860 1.00 1.19 H new ATOM 0 HG22 ILE A 38 -5.946 -2.076 -1.428 1.00 1.19 H new ATOM 0 HG23 ILE A 38 -5.140 -1.126 -0.157 1.00 1.19 H new ATOM 0 HD11 ILE A 38 -0.951 -0.931 -1.329 1.00 1.25 H new ATOM 0 HD12 ILE A 38 -1.752 -1.944 -2.554 1.00 1.25 H new ATOM 0 HD13 ILE A 38 -2.560 -0.481 -1.943 1.00 1.25 H new ATOM 628 N LYS A 39 -6.179 -5.140 -0.928 1.00 0.90 N ATOM 629 CA LYS A 39 -7.515 -5.746 -0.974 1.00 1.06 C ATOM 630 C LYS A 39 -7.751 -6.864 0.067 1.00 1.17 C ATOM 631 O LYS A 39 -8.847 -7.433 0.097 1.00 1.54 O ATOM 632 CB LYS A 39 -7.777 -6.243 -2.416 1.00 1.09 C ATOM 633 CG LYS A 39 -8.577 -5.242 -3.265 1.00 1.29 C ATOM 634 CD LYS A 39 -7.785 -3.980 -3.615 1.00 2.19 C ATOM 635 CE LYS A 39 -8.600 -2.939 -4.401 1.00 3.10 C ATOM 636 NZ LYS A 39 -8.911 -3.336 -5.797 1.00 4.60 N ATOM 0 H LYS A 39 -5.562 -5.455 -1.677 1.00 0.90 H new ATOM 0 HA LYS A 39 -8.234 -4.975 -0.697 1.00 1.06 H new ATOM 0 HB2 LYS A 39 -6.823 -6.442 -2.904 1.00 1.09 H new ATOM 0 HB3 LYS A 39 -8.318 -7.189 -2.375 1.00 1.09 H new ATOM 0 HG2 LYS A 39 -8.896 -5.730 -4.186 1.00 1.29 H new ATOM 0 HG3 LYS A 39 -9.480 -4.958 -2.725 1.00 1.29 H new ATOM 0 HD2 LYS A 39 -7.420 -3.524 -2.695 1.00 2.19 H new ATOM 0 HD3 LYS A 39 -6.910 -4.261 -4.201 1.00 2.19 H new ATOM 0 HE2 LYS A 39 -9.534 -2.751 -3.872 1.00 3.10 H new ATOM 0 HE3 LYS A 39 -8.048 -1.999 -4.417 1.00 3.10 H new ATOM 0 HZ1 LYS A 39 -8.931 -2.490 -6.402 1.00 4.60 H new ATOM 0 HZ2 LYS A 39 -8.181 -3.992 -6.142 1.00 4.60 H new ATOM 0 HZ3 LYS A 39 -9.839 -3.805 -5.826 1.00 4.60 H new ATOM 650 N LYS A 40 -6.744 -7.299 0.840 1.00 1.00 N ATOM 651 CA LYS A 40 -6.904 -8.313 1.903 1.00 1.18 C ATOM 652 C LYS A 40 -7.225 -7.710 3.261 1.00 1.41 C ATOM 653 O LYS A 40 -7.860 -8.360 4.088 1.00 1.78 O ATOM 654 CB LYS A 40 -5.645 -9.180 2.070 1.00 0.99 C ATOM 655 CG LYS A 40 -5.292 -10.130 0.923 1.00 1.49 C ATOM 656 CD LYS A 40 -6.484 -10.698 0.160 1.00 1.40 C ATOM 657 CE LYS A 40 -6.819 -9.893 -1.097 1.00 2.67 C ATOM 658 NZ LYS A 40 -7.788 -10.584 -1.975 1.00 2.87 N ATOM 0 H LYS A 40 -5.788 -6.957 0.747 1.00 1.00 H new ATOM 0 HA LYS A 40 -7.745 -8.922 1.571 1.00 1.18 H new ATOM 0 HB2 LYS A 40 -4.796 -8.515 2.231 1.00 0.99 H new ATOM 0 HB3 LYS A 40 -5.762 -9.774 2.977 1.00 0.99 H new ATOM 0 HG2 LYS A 40 -4.649 -9.601 0.219 1.00 1.49 H new ATOM 0 HG3 LYS A 40 -4.710 -10.959 1.325 1.00 1.49 H new ATOM 0 HD2 LYS A 40 -6.272 -11.730 -0.120 1.00 1.40 H new ATOM 0 HD3 LYS A 40 -7.354 -10.718 0.816 1.00 1.40 H new ATOM 0 HE2 LYS A 40 -7.225 -8.924 -0.806 1.00 2.67 H new ATOM 0 HE3 LYS A 40 -5.903 -9.700 -1.655 1.00 2.67 H new ATOM 0 HZ1 LYS A 40 -7.321 -10.852 -2.864 1.00 2.87 H new ATOM 0 HZ2 LYS A 40 -8.141 -11.438 -1.498 1.00 2.87 H new ATOM 0 HZ3 LYS A 40 -8.585 -9.948 -2.181 1.00 2.87 H new ATOM 672 N GLU A 41 -6.713 -6.511 3.473 1.00 1.54 N ATOM 673 CA GLU A 41 -6.871 -5.754 4.722 1.00 1.93 C ATOM 674 C GLU A 41 -7.677 -4.449 4.584 1.00 2.20 C ATOM 675 O GLU A 41 -8.445 -4.142 5.496 1.00 2.85 O ATOM 676 CB GLU A 41 -5.508 -5.598 5.425 1.00 2.03 C ATOM 677 CG GLU A 41 -4.539 -4.554 4.856 1.00 2.56 C ATOM 678 CD GLU A 41 -4.839 -3.138 5.362 1.00 4.31 C ATOM 679 OE1 GLU A 41 -4.935 -2.950 6.601 1.00 5.01 O ATOM 680 OE2 GLU A 41 -4.946 -2.221 4.523 1.00 5.63 O ATOM 0 H GLU A 41 -6.162 -6.017 2.771 1.00 1.54 H new ATOM 0 HA GLU A 41 -7.509 -6.344 5.381 1.00 1.93 H new ATOM 0 HB2 GLU A 41 -5.694 -5.352 6.470 1.00 2.03 H new ATOM 0 HB3 GLU A 41 -5.008 -6.566 5.410 1.00 2.03 H new ATOM 0 HG2 GLU A 41 -3.518 -4.825 5.127 1.00 2.56 H new ATOM 0 HG3 GLU A 41 -4.594 -4.567 3.767 1.00 2.56 H new ATOM 687 N LEU A 42 -7.603 -3.725 3.456 1.00 1.85 N ATOM 688 CA LEU A 42 -8.388 -2.525 3.219 1.00 1.89 C ATOM 689 C LEU A 42 -9.728 -2.857 2.562 1.00 1.93 C ATOM 690 O LEU A 42 -9.859 -3.716 1.687 1.00 2.19 O ATOM 691 CB LEU A 42 -7.596 -1.454 2.429 1.00 1.92 C ATOM 692 CG LEU A 42 -7.846 -0.017 2.952 1.00 2.27 C ATOM 693 CD1 LEU A 42 -6.779 0.412 3.966 1.00 1.95 C ATOM 694 CD2 LEU A 42 -7.849 1.023 1.827 1.00 3.11 C ATOM 0 H LEU A 42 -6.987 -3.967 2.680 1.00 1.85 H new ATOM 0 HA LEU A 42 -8.607 -2.085 4.192 1.00 1.89 H new ATOM 0 HB2 LEU A 42 -6.531 -1.678 2.489 1.00 1.92 H new ATOM 0 HB3 LEU A 42 -7.873 -1.506 1.376 1.00 1.92 H new ATOM 0 HG LEU A 42 -8.828 -0.053 3.423 1.00 2.27 H new ATOM 0 HD11 LEU A 42 -6.989 1.425 4.309 1.00 1.95 H new ATOM 0 HD12 LEU A 42 -6.791 -0.269 4.817 1.00 1.95 H new ATOM 0 HD13 LEU A 42 -5.797 0.385 3.494 1.00 1.95 H new ATOM 0 HD21 LEU A 42 -8.028 2.013 2.247 1.00 3.11 H new ATOM 0 HD22 LEU A 42 -6.884 1.013 1.320 1.00 3.11 H new ATOM 0 HD23 LEU A 42 -8.637 0.784 1.113 1.00 3.11 H new ATOM 706 N CYS A 43 -10.724 -2.078 2.965 1.00 1.98 N ATOM 707 CA CYS A 43 -12.050 -2.004 2.358 1.00 2.16 C ATOM 708 C CYS A 43 -12.256 -0.625 1.699 1.00 2.32 C ATOM 709 O CYS A 43 -11.648 0.370 2.106 1.00 2.98 O ATOM 710 CB CYS A 43 -13.097 -2.374 3.413 1.00 2.52 C ATOM 711 SG CYS A 43 -14.649 -2.803 2.584 1.00 3.25 S ATOM 0 H CYS A 43 -10.626 -1.450 3.762 1.00 1.98 H new ATOM 0 HA CYS A 43 -12.159 -2.725 1.547 1.00 2.16 H new ATOM 0 HB2 CYS A 43 -12.746 -3.214 4.012 1.00 2.52 H new ATOM 0 HB3 CYS A 43 -13.254 -1.539 4.096 1.00 2.52 H new ATOM 0 HG CYS A 43 -15.291 -1.716 2.274 1.00 3.25 H new ATOM 717 N LEU A 44 -13.011 -0.607 0.597 1.00 2.98 N ATOM 718 CA LEU A 44 -13.038 0.449 -0.430 1.00 3.37 C ATOM 719 C LEU A 44 -14.414 0.645 -1.093 1.00 3.83 C ATOM 720 O LEU A 44 -14.557 1.513 -1.950 1.00 4.62 O ATOM 721 CB LEU A 44 -12.015 0.060 -1.518 1.00 4.12 C ATOM 722 CG LEU A 44 -10.547 0.233 -1.093 1.00 3.91 C ATOM 723 CD1 LEU A 44 -9.642 -0.572 -2.025 1.00 5.12 C ATOM 724 CD2 LEU A 44 -10.150 1.714 -1.106 1.00 4.00 C ATOM 0 H LEU A 44 -13.656 -1.367 0.382 1.00 2.98 H new ATOM 0 HA LEU A 44 -12.800 1.392 0.062 1.00 3.37 H new ATOM 0 HB2 LEU A 44 -12.180 -0.980 -1.801 1.00 4.12 H new ATOM 0 HB3 LEU A 44 -12.198 0.665 -2.406 1.00 4.12 H new ATOM 0 HG LEU A 44 -10.429 -0.139 -0.075 1.00 3.91 H new ATOM 0 HD11 LEU A 44 -8.603 -0.447 -1.721 1.00 5.12 H new ATOM 0 HD12 LEU A 44 -9.911 -1.627 -1.972 1.00 5.12 H new ATOM 0 HD13 LEU A 44 -9.766 -0.217 -3.048 1.00 5.12 H new ATOM 0 HD21 LEU A 44 -9.108 1.814 -0.802 1.00 4.00 H new ATOM 0 HD22 LEU A 44 -10.275 2.115 -2.112 1.00 4.00 H new ATOM 0 HD23 LEU A 44 -10.784 2.267 -0.413 1.00 4.00 H new ATOM 736 N GLY A 45 -15.399 -0.186 -0.736 1.00 3.78 N ATOM 737 CA GLY A 45 -16.735 -0.247 -1.358 1.00 4.34 C ATOM 738 C GLY A 45 -17.808 0.542 -0.604 1.00 4.44 C ATOM 739 O GLY A 45 -18.832 0.894 -1.176 1.00 5.56 O ATOM 0 H GLY A 45 -15.288 -0.861 0.021 1.00 3.78 H new ATOM 0 HA2 GLY A 45 -16.668 0.133 -2.377 1.00 4.34 H new ATOM 0 HA3 GLY A 45 -17.046 -1.290 -1.426 1.00 4.34 H new ATOM 742 N GLU A 46 -17.540 0.864 0.661 1.00 3.92 N ATOM 743 CA GLU A 46 -18.261 1.807 1.515 1.00 4.60 C ATOM 744 C GLU A 46 -17.853 3.272 1.237 1.00 4.11 C ATOM 745 O GLU A 46 -17.981 4.143 2.100 1.00 5.01 O ATOM 746 CB GLU A 46 -18.043 1.401 2.995 1.00 5.34 C ATOM 747 CG GLU A 46 -16.667 1.681 3.646 1.00 5.17 C ATOM 748 CD GLU A 46 -15.537 0.676 3.365 1.00 5.02 C ATOM 749 OE1 GLU A 46 -15.461 0.148 2.228 1.00 4.73 O ATOM 750 OE2 GLU A 46 -14.719 0.438 4.285 1.00 5.85 O ATOM 0 H GLU A 46 -16.753 0.440 1.153 1.00 3.92 H new ATOM 0 HA GLU A 46 -19.326 1.759 1.288 1.00 4.60 H new ATOM 0 HB2 GLU A 46 -18.801 1.908 3.592 1.00 5.34 H new ATOM 0 HB3 GLU A 46 -18.236 0.331 3.076 1.00 5.34 H new ATOM 0 HG2 GLU A 46 -16.333 2.665 3.318 1.00 5.17 H new ATOM 0 HG3 GLU A 46 -16.809 1.736 4.725 1.00 5.17 H new ATOM 757 N MET A 47 -17.221 3.533 0.087 1.00 3.21 N ATOM 758 CA MET A 47 -16.010 4.353 0.048 1.00 2.42 C ATOM 759 C MET A 47 -15.621 4.808 -1.368 1.00 2.24 C ATOM 760 O MET A 47 -16.332 4.591 -2.344 1.00 2.90 O ATOM 761 CB MET A 47 -14.880 3.530 0.705 1.00 2.48 C ATOM 762 CG MET A 47 -14.331 4.200 1.962 1.00 2.45 C ATOM 763 SD MET A 47 -13.047 5.445 1.648 1.00 2.73 S ATOM 764 CE MET A 47 -11.718 4.303 1.172 1.00 2.42 C ATOM 0 H MET A 47 -17.528 3.189 -0.823 1.00 3.21 H new ATOM 0 HA MET A 47 -16.192 5.279 0.593 1.00 2.42 H new ATOM 0 HB2 MET A 47 -15.256 2.539 0.959 1.00 2.48 H new ATOM 0 HB3 MET A 47 -14.071 3.390 -0.012 1.00 2.48 H new ATOM 0 HG2 MET A 47 -15.155 4.672 2.497 1.00 2.45 H new ATOM 0 HG3 MET A 47 -13.923 3.432 2.619 1.00 2.45 H new ATOM 0 HE1 MET A 47 -10.826 4.516 1.761 1.00 2.42 H new ATOM 0 HE2 MET A 47 -12.037 3.277 1.355 1.00 2.42 H new ATOM 0 HE3 MET A 47 -11.492 4.429 0.113 1.00 2.42 H new ATOM 774 N LYS A 48 -14.471 5.475 -1.454 1.00 2.23 N ATOM 775 CA LYS A 48 -13.848 5.946 -2.690 1.00 2.05 C ATOM 776 C LYS A 48 -12.998 4.851 -3.373 1.00 2.27 C ATOM 777 O LYS A 48 -12.036 4.352 -2.790 1.00 3.17 O ATOM 778 CB LYS A 48 -13.009 7.192 -2.343 1.00 2.76 C ATOM 779 CG LYS A 48 -13.877 8.454 -2.138 1.00 3.75 C ATOM 780 CD LYS A 48 -14.283 8.763 -0.682 1.00 4.50 C ATOM 781 CE LYS A 48 -13.144 9.466 0.076 1.00 5.39 C ATOM 782 NZ LYS A 48 -13.534 9.931 1.430 1.00 6.78 N ATOM 0 H LYS A 48 -13.924 5.712 -0.627 1.00 2.23 H new ATOM 0 HA LYS A 48 -14.620 6.203 -3.416 1.00 2.05 H new ATOM 0 HB2 LYS A 48 -12.436 6.999 -1.436 1.00 2.76 H new ATOM 0 HB3 LYS A 48 -12.290 7.376 -3.142 1.00 2.76 H new ATOM 0 HG2 LYS A 48 -13.335 9.313 -2.534 1.00 3.75 H new ATOM 0 HG3 LYS A 48 -14.784 8.348 -2.733 1.00 3.75 H new ATOM 0 HD2 LYS A 48 -15.172 9.394 -0.676 1.00 4.50 H new ATOM 0 HD3 LYS A 48 -14.546 7.837 -0.171 1.00 4.50 H new ATOM 0 HE2 LYS A 48 -12.300 8.782 0.164 1.00 5.39 H new ATOM 0 HE3 LYS A 48 -12.802 10.320 -0.508 1.00 5.39 H new ATOM 0 HZ1 LYS A 48 -13.142 10.880 1.598 1.00 6.78 H new ATOM 0 HZ2 LYS A 48 -14.571 9.968 1.499 1.00 6.78 H new ATOM 0 HZ3 LYS A 48 -13.163 9.272 2.144 1.00 6.78 H new ATOM 796 N GLU A 49 -13.314 4.544 -4.636 1.00 2.33 N ATOM 797 CA GLU A 49 -12.807 3.406 -5.413 1.00 3.06 C ATOM 798 C GLU A 49 -12.291 3.803 -6.815 1.00 2.35 C ATOM 799 O GLU A 49 -11.188 3.412 -7.196 1.00 2.70 O ATOM 800 CB GLU A 49 -13.903 2.312 -5.526 1.00 4.43 C ATOM 801 CG GLU A 49 -15.379 2.766 -5.511 1.00 4.81 C ATOM 802 CD GLU A 49 -15.679 3.838 -6.555 1.00 4.98 C ATOM 803 OE1 GLU A 49 -15.943 3.478 -7.719 1.00 5.45 O ATOM 804 OE2 GLU A 49 -15.441 5.031 -6.259 1.00 5.31 O ATOM 0 H GLU A 49 -13.967 5.114 -5.174 1.00 2.33 H new ATOM 0 HA GLU A 49 -11.946 3.013 -4.872 1.00 3.06 H new ATOM 0 HB2 GLU A 49 -13.732 1.761 -6.451 1.00 4.43 H new ATOM 0 HB3 GLU A 49 -13.761 1.609 -4.705 1.00 4.43 H new ATOM 0 HG2 GLU A 49 -16.021 1.903 -5.688 1.00 4.81 H new ATOM 0 HG3 GLU A 49 -15.626 3.150 -4.521 1.00 4.81 H new ATOM 811 N SER A 50 -13.031 4.604 -7.581 1.00 2.21 N ATOM 812 CA SER A 50 -12.746 5.010 -8.965 1.00 2.13 C ATOM 813 C SER A 50 -11.677 6.119 -8.989 1.00 2.22 C ATOM 814 O SER A 50 -11.906 7.272 -9.348 1.00 3.46 O ATOM 815 CB SER A 50 -14.052 5.428 -9.663 1.00 2.79 C ATOM 816 OG SER A 50 -14.879 4.302 -9.905 1.00 3.87 O ATOM 0 H SER A 50 -13.899 5.014 -7.235 1.00 2.21 H new ATOM 0 HA SER A 50 -12.335 4.167 -9.521 1.00 2.13 H new ATOM 0 HB2 SER A 50 -14.585 6.149 -9.044 1.00 2.79 H new ATOM 0 HB3 SER A 50 -13.822 5.925 -10.606 1.00 2.79 H new ATOM 0 HG SER A 50 -15.042 3.829 -9.062 1.00 3.87 H new ATOM 822 N SER A 51 -10.501 5.735 -8.516 1.00 2.14 N ATOM 823 CA SER A 51 -9.299 6.521 -8.237 1.00 2.32 C ATOM 824 C SER A 51 -8.209 5.564 -7.738 1.00 1.95 C ATOM 825 O SER A 51 -7.071 5.603 -8.205 1.00 2.05 O ATOM 826 CB SER A 51 -9.588 7.613 -7.191 1.00 2.95 C ATOM 827 OG SER A 51 -8.430 8.396 -6.979 1.00 3.26 O ATOM 0 H SER A 51 -10.344 4.753 -8.291 1.00 2.14 H new ATOM 0 HA SER A 51 -8.966 7.025 -9.144 1.00 2.32 H new ATOM 0 HB2 SER A 51 -10.408 8.246 -7.530 1.00 2.95 H new ATOM 0 HB3 SER A 51 -9.905 7.156 -6.254 1.00 2.95 H new ATOM 0 HG SER A 51 -8.497 8.851 -6.114 1.00 3.26 H new ATOM 833 N ILE A 52 -8.570 4.615 -6.861 1.00 1.75 N ATOM 834 CA ILE A 52 -7.636 3.601 -6.352 1.00 1.57 C ATOM 835 C ILE A 52 -7.299 2.550 -7.405 1.00 1.31 C ATOM 836 O ILE A 52 -6.174 2.064 -7.462 1.00 1.34 O ATOM 837 CB ILE A 52 -8.159 2.954 -5.042 1.00 1.70 C ATOM 838 CG1 ILE A 52 -9.148 1.775 -5.162 1.00 1.96 C ATOM 839 CG2 ILE A 52 -8.738 4.027 -4.104 1.00 2.18 C ATOM 840 CD1 ILE A 52 -8.459 0.410 -5.234 1.00 1.98 C ATOM 0 H ILE A 52 -9.515 4.529 -6.486 1.00 1.75 H new ATOM 0 HA ILE A 52 -6.705 4.116 -6.114 1.00 1.57 H new ATOM 0 HB ILE A 52 -7.262 2.492 -4.630 1.00 1.70 H new ATOM 0 HG12 ILE A 52 -9.824 1.788 -4.307 1.00 1.96 H new ATOM 0 HG13 ILE A 52 -9.760 1.913 -6.054 1.00 1.96 H new ATOM 0 HG21 ILE A 52 -9.100 3.555 -3.191 1.00 2.18 H new ATOM 0 HG22 ILE A 52 -7.961 4.750 -3.855 1.00 2.18 H new ATOM 0 HG23 ILE A 52 -9.564 4.537 -4.600 1.00 2.18 H new ATOM 0 HD11 ILE A 52 -9.212 -0.374 -5.317 1.00 1.98 H new ATOM 0 HD12 ILE A 52 -7.804 0.378 -6.105 1.00 1.98 H new ATOM 0 HD13 ILE A 52 -7.869 0.252 -4.331 1.00 1.98 H new ATOM 852 N ASP A 53 -8.280 2.169 -8.216 1.00 1.31 N ATOM 853 CA ASP A 53 -8.152 1.025 -9.115 1.00 1.32 C ATOM 854 C ASP A 53 -7.500 1.372 -10.459 1.00 1.17 C ATOM 855 O ASP A 53 -7.043 0.482 -11.164 1.00 1.12 O ATOM 856 CB ASP A 53 -9.495 0.287 -9.219 1.00 1.93 C ATOM 857 CG ASP A 53 -9.277 -1.186 -8.856 1.00 3.04 C ATOM 858 OD1 ASP A 53 -8.805 -1.978 -9.696 1.00 3.60 O ATOM 859 OD2 ASP A 53 -9.476 -1.530 -7.664 1.00 4.08 O ATOM 0 H ASP A 53 -9.183 2.641 -8.270 1.00 1.31 H new ATOM 0 HA ASP A 53 -7.440 0.324 -8.679 1.00 1.32 H new ATOM 0 HB2 ASP A 53 -10.226 0.737 -8.548 1.00 1.93 H new ATOM 0 HB3 ASP A 53 -9.895 0.372 -10.229 1.00 1.93 H new ATOM 864 N ASP A 54 -7.317 2.666 -10.758 1.00 1.39 N ATOM 865 CA ASP A 54 -6.342 3.090 -11.765 1.00 1.54 C ATOM 866 C ASP A 54 -4.916 2.712 -11.328 1.00 1.30 C ATOM 867 O ASP A 54 -4.140 2.161 -12.118 1.00 1.35 O ATOM 868 CB ASP A 54 -6.439 4.604 -12.020 1.00 2.02 C ATOM 869 CG ASP A 54 -5.502 4.979 -13.168 1.00 2.36 C ATOM 870 OD1 ASP A 54 -5.937 4.910 -14.339 1.00 2.94 O ATOM 871 OD2 ASP A 54 -4.280 5.113 -12.947 1.00 2.77 O ATOM 0 H ASP A 54 -7.829 3.431 -10.318 1.00 1.39 H new ATOM 0 HA ASP A 54 -6.571 2.571 -12.696 1.00 1.54 H new ATOM 0 HB2 ASP A 54 -7.465 4.879 -12.267 1.00 2.02 H new ATOM 0 HB3 ASP A 54 -6.169 5.155 -11.119 1.00 2.02 H new ATOM 876 N LEU A 55 -4.590 2.947 -10.049 1.00 1.15 N ATOM 877 CA LEU A 55 -3.284 2.597 -9.497 1.00 1.01 C ATOM 878 C LEU A 55 -3.077 1.083 -9.584 1.00 0.93 C ATOM 879 O LEU A 55 -2.036 0.644 -10.062 1.00 1.08 O ATOM 880 CB LEU A 55 -3.122 3.120 -8.053 1.00 0.90 C ATOM 881 CG LEU A 55 -3.506 4.583 -7.789 1.00 1.24 C ATOM 882 CD1 LEU A 55 -3.277 4.905 -6.308 1.00 1.34 C ATOM 883 CD2 LEU A 55 -2.702 5.542 -8.681 1.00 1.50 C ATOM 0 H LEU A 55 -5.222 3.382 -9.377 1.00 1.15 H new ATOM 0 HA LEU A 55 -2.509 3.084 -10.089 1.00 1.01 H new ATOM 0 HB2 LEU A 55 -3.722 2.490 -7.396 1.00 0.90 H new ATOM 0 HB3 LEU A 55 -2.081 2.986 -7.760 1.00 0.90 H new ATOM 0 HG LEU A 55 -4.560 4.719 -8.033 1.00 1.24 H new ATOM 0 HD11 LEU A 55 -3.548 5.943 -6.115 1.00 1.34 H new ATOM 0 HD12 LEU A 55 -3.893 4.249 -5.693 1.00 1.34 H new ATOM 0 HD13 LEU A 55 -2.226 4.753 -6.061 1.00 1.34 H new ATOM 0 HD21 LEU A 55 -2.998 6.570 -8.469 1.00 1.50 H new ATOM 0 HD22 LEU A 55 -1.638 5.421 -8.478 1.00 1.50 H new ATOM 0 HD23 LEU A 55 -2.900 5.316 -9.729 1.00 1.50 H new ATOM 895 N MET A 56 -4.077 0.278 -9.207 1.00 0.83 N ATOM 896 CA MET A 56 -4.021 -1.190 -9.290 1.00 0.89 C ATOM 897 C MET A 56 -3.867 -1.692 -10.732 1.00 1.00 C ATOM 898 O MET A 56 -2.991 -2.516 -11.005 1.00 1.24 O ATOM 899 CB MET A 56 -5.260 -1.810 -8.625 1.00 0.95 C ATOM 900 CG MET A 56 -5.419 -1.360 -7.173 1.00 1.12 C ATOM 901 SD MET A 56 -3.995 -1.743 -6.127 1.00 2.24 S ATOM 902 CE MET A 56 -4.862 -2.641 -4.845 1.00 1.40 C ATOM 0 H MET A 56 -4.958 0.629 -8.831 1.00 0.83 H new ATOM 0 HA MET A 56 -3.130 -1.510 -8.750 1.00 0.89 H new ATOM 0 HB2 MET A 56 -6.150 -1.533 -9.189 1.00 0.95 H new ATOM 0 HB3 MET A 56 -5.185 -2.897 -8.661 1.00 0.95 H new ATOM 0 HG2 MET A 56 -5.593 -0.284 -7.153 1.00 1.12 H new ATOM 0 HG3 MET A 56 -6.305 -1.834 -6.751 1.00 1.12 H new ATOM 0 HE1 MET A 56 -4.206 -2.770 -3.984 1.00 1.40 H new ATOM 0 HE2 MET A 56 -5.749 -2.082 -4.545 1.00 1.40 H new ATOM 0 HE3 MET A 56 -5.160 -3.619 -5.224 1.00 1.40 H new ATOM 912 N LYS A 57 -4.622 -1.132 -11.675 1.00 1.05 N ATOM 913 CA LYS A 57 -4.434 -1.316 -13.123 1.00 1.32 C ATOM 914 C LYS A 57 -3.001 -0.992 -13.578 1.00 1.35 C ATOM 915 O LYS A 57 -2.497 -1.613 -14.512 1.00 1.52 O ATOM 916 CB LYS A 57 -5.541 -0.513 -13.832 1.00 1.61 C ATOM 917 CG LYS A 57 -5.422 -0.375 -15.362 1.00 2.36 C ATOM 918 CD LYS A 57 -4.498 0.767 -15.822 1.00 4.24 C ATOM 919 CE LYS A 57 -5.021 2.134 -15.370 1.00 5.89 C ATOM 920 NZ LYS A 57 -3.959 3.022 -14.838 1.00 7.70 N ATOM 0 H LYS A 57 -5.406 -0.519 -11.452 1.00 1.05 H new ATOM 0 HA LYS A 57 -4.538 -2.365 -13.402 1.00 1.32 H new ATOM 0 HB2 LYS A 57 -6.499 -0.981 -13.606 1.00 1.61 H new ATOM 0 HB3 LYS A 57 -5.565 0.488 -13.401 1.00 1.61 H new ATOM 0 HG2 LYS A 57 -5.052 -1.314 -15.773 1.00 2.36 H new ATOM 0 HG3 LYS A 57 -6.416 -0.214 -15.780 1.00 2.36 H new ATOM 0 HD2 LYS A 57 -3.497 0.609 -15.421 1.00 4.24 H new ATOM 0 HD3 LYS A 57 -4.412 0.751 -16.909 1.00 4.24 H new ATOM 0 HE2 LYS A 57 -5.508 2.626 -16.212 1.00 5.89 H new ATOM 0 HE3 LYS A 57 -5.782 1.989 -14.603 1.00 5.89 H new ATOM 0 HZ1 LYS A 57 -4.211 4.014 -15.022 1.00 7.70 H new ATOM 0 HZ2 LYS A 57 -3.863 2.874 -13.813 1.00 7.70 H new ATOM 0 HZ3 LYS A 57 -3.056 2.802 -15.305 1.00 7.70 H new ATOM 934 N SER A 58 -2.318 -0.033 -12.958 1.00 1.25 N ATOM 935 CA SER A 58 -0.919 0.278 -13.268 1.00 1.30 C ATOM 936 C SER A 58 0.074 -0.747 -12.702 1.00 1.30 C ATOM 937 O SER A 58 1.202 -0.800 -13.194 1.00 1.50 O ATOM 938 CB SER A 58 -0.565 1.698 -12.809 1.00 1.27 C ATOM 939 OG SER A 58 -1.376 2.654 -13.477 1.00 2.39 O ATOM 0 H SER A 58 -2.717 0.553 -12.225 1.00 1.25 H new ATOM 0 HA SER A 58 -0.825 0.221 -14.352 1.00 1.30 H new ATOM 0 HB2 SER A 58 -0.705 1.784 -11.731 1.00 1.27 H new ATOM 0 HB3 SER A 58 0.487 1.900 -13.011 1.00 1.27 H new ATOM 0 HG SER A 58 -1.139 3.555 -13.172 1.00 2.39 H new ATOM 945 N LEU A 59 -0.318 -1.562 -11.712 1.00 1.20 N ATOM 946 CA LEU A 59 0.540 -2.577 -11.096 1.00 1.23 C ATOM 947 C LEU A 59 0.394 -3.918 -11.811 1.00 1.18 C ATOM 948 O LEU A 59 1.365 -4.493 -12.311 1.00 1.31 O ATOM 949 CB LEU A 59 0.154 -2.726 -9.606 1.00 1.25 C ATOM 950 CG LEU A 59 0.348 -1.504 -8.681 1.00 1.31 C ATOM 951 CD1 LEU A 59 0.670 -2.006 -7.264 1.00 1.45 C ATOM 952 CD2 LEU A 59 1.423 -0.506 -9.148 1.00 1.95 C ATOM 0 H LEU A 59 -1.256 -1.532 -11.312 1.00 1.20 H new ATOM 0 HA LEU A 59 1.580 -2.262 -11.179 1.00 1.23 H new ATOM 0 HB2 LEU A 59 -0.896 -3.016 -9.560 1.00 1.25 H new ATOM 0 HB3 LEU A 59 0.731 -3.553 -9.193 1.00 1.25 H new ATOM 0 HG LEU A 59 -0.586 -0.943 -8.704 1.00 1.31 H new ATOM 0 HD11 LEU A 59 0.810 -1.154 -6.599 1.00 1.45 H new ATOM 0 HD12 LEU A 59 -0.154 -2.619 -6.899 1.00 1.45 H new ATOM 0 HD13 LEU A 59 1.583 -2.601 -7.288 1.00 1.45 H new ATOM 0 HD21 LEU A 59 1.488 0.318 -8.437 1.00 1.95 H new ATOM 0 HD22 LEU A 59 2.387 -1.011 -9.208 1.00 1.95 H new ATOM 0 HD23 LEU A 59 1.156 -0.117 -10.131 1.00 1.95 H new ATOM 964 N ASP A 60 -0.847 -4.399 -11.846 1.00 1.14 N ATOM 965 CA ASP A 60 -1.243 -5.711 -12.348 1.00 1.30 C ATOM 966 C ASP A 60 -1.303 -5.778 -13.891 1.00 1.55 C ATOM 967 O ASP A 60 -1.399 -6.857 -14.468 1.00 1.80 O ATOM 968 CB ASP A 60 -2.546 -6.131 -11.634 1.00 1.84 C ATOM 969 CG ASP A 60 -2.376 -7.353 -10.708 1.00 2.83 C ATOM 970 OD1 ASP A 60 -1.280 -7.518 -10.119 1.00 4.01 O ATOM 971 OD2 ASP A 60 -3.369 -8.086 -10.488 1.00 3.36 O ATOM 0 H ASP A 60 -1.642 -3.857 -11.508 1.00 1.14 H new ATOM 0 HA ASP A 60 -0.474 -6.445 -12.107 1.00 1.30 H new ATOM 0 HB2 ASP A 60 -2.917 -5.290 -11.048 1.00 1.84 H new ATOM 0 HB3 ASP A 60 -3.305 -6.356 -12.383 1.00 1.84 H new ATOM 976 N LYS A 61 -1.131 -4.634 -14.564 1.00 1.71 N ATOM 977 CA LYS A 61 -0.678 -4.546 -15.959 1.00 1.94 C ATOM 978 C LYS A 61 0.530 -5.465 -16.237 1.00 1.97 C ATOM 979 O LYS A 61 0.478 -6.288 -17.146 1.00 2.48 O ATOM 980 CB LYS A 61 -0.392 -3.052 -16.266 1.00 2.03 C ATOM 981 CG LYS A 61 0.711 -2.763 -17.271 1.00 1.79 C ATOM 982 CD LYS A 61 0.487 -3.569 -18.560 1.00 2.85 C ATOM 983 CE LYS A 61 0.656 -2.628 -19.716 1.00 3.92 C ATOM 984 NZ LYS A 61 2.096 -2.293 -19.887 1.00 5.07 N ATOM 0 H LYS A 61 -1.307 -3.721 -14.144 1.00 1.71 H new ATOM 0 HA LYS A 61 -1.455 -4.908 -16.633 1.00 1.94 H new ATOM 0 HB2 LYS A 61 -1.313 -2.597 -16.630 1.00 2.03 H new ATOM 0 HB3 LYS A 61 -0.139 -2.554 -15.330 1.00 2.03 H new ATOM 0 HG2 LYS A 61 0.733 -1.698 -17.500 1.00 1.79 H new ATOM 0 HG3 LYS A 61 1.680 -3.016 -16.840 1.00 1.79 H new ATOM 0 HD2 LYS A 61 1.200 -4.391 -18.627 1.00 2.85 H new ATOM 0 HD3 LYS A 61 -0.510 -4.011 -18.568 1.00 2.85 H new ATOM 0 HE2 LYS A 61 0.268 -3.084 -20.627 1.00 3.92 H new ATOM 0 HE3 LYS A 61 0.080 -1.719 -19.544 1.00 3.92 H new ATOM 0 HZ1 LYS A 61 2.244 -1.284 -19.683 1.00 5.07 H new ATOM 0 HZ2 LYS A 61 2.666 -2.866 -19.232 1.00 5.07 H new ATOM 0 HZ3 LYS A 61 2.386 -2.495 -20.865 1.00 5.07 H new ATOM 998 N ASN A 62 1.650 -5.229 -15.548 1.00 1.68 N ATOM 999 CA ASN A 62 2.923 -5.906 -15.821 1.00 1.84 C ATOM 1000 C ASN A 62 3.090 -7.061 -14.831 1.00 1.75 C ATOM 1001 O ASN A 62 3.237 -8.206 -15.226 1.00 2.61 O ATOM 1002 CB ASN A 62 4.090 -4.912 -15.698 1.00 2.04 C ATOM 1003 CG ASN A 62 4.477 -4.166 -16.977 1.00 2.28 C ATOM 1004 OD1 ASN A 62 3.739 -4.019 -17.952 1.00 3.08 O ATOM 1005 ND2 ASN A 62 5.691 -3.654 -16.982 1.00 2.61 N ATOM 0 H ASN A 62 1.700 -4.559 -14.780 1.00 1.68 H new ATOM 0 HA ASN A 62 2.922 -6.299 -16.838 1.00 1.84 H new ATOM 0 HB2 ASN A 62 3.835 -4.176 -14.936 1.00 2.04 H new ATOM 0 HB3 ASN A 62 4.965 -5.453 -15.338 1.00 2.04 H new ATOM 0 HD21 ASN A 62 6.022 -3.134 -17.795 1.00 2.61 H new ATOM 0 HD22 ASN A 62 6.300 -3.777 -16.173 1.00 2.61 H new ATOM 1012 N SER A 63 3.034 -6.754 -13.530 1.00 1.40 N ATOM 1013 CA SER A 63 2.696 -7.687 -12.449 1.00 1.33 C ATOM 1014 C SER A 63 3.780 -8.706 -12.058 1.00 1.31 C ATOM 1015 O SER A 63 3.748 -9.234 -10.951 1.00 1.35 O ATOM 1016 CB SER A 63 1.341 -8.356 -12.733 1.00 1.56 C ATOM 1017 OG SER A 63 1.421 -9.526 -13.523 1.00 2.07 O ATOM 0 H SER A 63 3.230 -5.813 -13.188 1.00 1.40 H new ATOM 0 HA SER A 63 2.624 -7.068 -11.555 1.00 1.33 H new ATOM 0 HB2 SER A 63 0.867 -8.605 -11.784 1.00 1.56 H new ATOM 0 HB3 SER A 63 0.693 -7.637 -13.234 1.00 1.56 H new ATOM 0 HG SER A 63 2.034 -9.374 -14.272 1.00 2.07 H new ATOM 1023 N ASP A 64 4.766 -8.969 -12.912 1.00 1.50 N ATOM 1024 CA ASP A 64 5.751 -10.061 -12.799 1.00 1.73 C ATOM 1025 C ASP A 64 7.126 -9.440 -12.583 1.00 1.87 C ATOM 1026 O ASP A 64 8.125 -9.699 -13.257 1.00 2.71 O ATOM 1027 CB ASP A 64 5.648 -10.997 -14.014 1.00 2.08 C ATOM 1028 CG ASP A 64 4.415 -11.883 -13.853 1.00 2.30 C ATOM 1029 OD1 ASP A 64 4.471 -12.796 -12.997 1.00 2.77 O ATOM 1030 OD2 ASP A 64 3.347 -11.560 -14.417 1.00 3.27 O ATOM 0 H ASP A 64 4.914 -8.402 -13.747 1.00 1.50 H new ATOM 0 HA ASP A 64 5.553 -10.700 -11.939 1.00 1.73 H new ATOM 0 HB2 ASP A 64 5.577 -10.415 -14.933 1.00 2.08 H new ATOM 0 HB3 ASP A 64 6.545 -11.611 -14.094 1.00 2.08 H new ATOM 1035 N GLN A 65 7.102 -8.504 -11.646 1.00 1.32 N ATOM 1036 CA GLN A 65 8.194 -7.648 -11.258 1.00 1.43 C ATOM 1037 C GLN A 65 8.234 -7.584 -9.740 1.00 1.14 C ATOM 1038 O GLN A 65 7.174 -7.455 -9.120 1.00 1.06 O ATOM 1039 CB GLN A 65 7.901 -6.244 -11.785 1.00 1.62 C ATOM 1040 CG GLN A 65 8.050 -6.110 -13.309 1.00 1.83 C ATOM 1041 CD GLN A 65 8.010 -4.653 -13.762 1.00 2.62 C ATOM 1042 OE1 GLN A 65 7.137 -4.224 -14.503 1.00 3.00 O ATOM 1043 NE2 GLN A 65 8.950 -3.832 -13.334 1.00 3.73 N ATOM 0 H GLN A 65 6.258 -8.316 -11.105 1.00 1.32 H new ATOM 0 HA GLN A 65 9.139 -8.023 -11.651 1.00 1.43 H new ATOM 0 HB2 GLN A 65 6.886 -5.964 -11.503 1.00 1.62 H new ATOM 0 HB3 GLN A 65 8.573 -5.536 -11.300 1.00 1.62 H new ATOM 0 HG2 GLN A 65 8.992 -6.561 -13.622 1.00 1.83 H new ATOM 0 HG3 GLN A 65 7.251 -6.665 -13.801 1.00 1.83 H new ATOM 0 HE21 GLN A 65 9.685 -4.176 -12.715 1.00 3.73 H new ATOM 0 HE22 GLN A 65 8.942 -2.853 -13.622 1.00 3.73 H new ATOM 1052 N GLU A 66 9.437 -7.612 -9.167 1.00 1.04 N ATOM 1053 CA GLU A 66 9.624 -7.404 -7.738 1.00 0.87 C ATOM 1054 C GLU A 66 9.702 -5.920 -7.368 1.00 0.87 C ATOM 1055 O GLU A 66 10.057 -5.068 -8.185 1.00 0.99 O ATOM 1056 CB GLU A 66 10.885 -8.098 -7.206 1.00 0.84 C ATOM 1057 CG GLU A 66 10.860 -9.625 -7.295 1.00 1.03 C ATOM 1058 CD GLU A 66 12.132 -10.177 -6.652 1.00 1.34 C ATOM 1059 OE1 GLU A 66 12.303 -9.932 -5.435 1.00 2.03 O ATOM 1060 OE2 GLU A 66 12.943 -10.779 -7.393 1.00 2.32 O ATOM 0 H GLU A 66 10.303 -7.779 -9.680 1.00 1.04 H new ATOM 0 HA GLU A 66 8.743 -7.847 -7.273 1.00 0.87 H new ATOM 0 HB2 GLU A 66 11.748 -7.729 -7.761 1.00 0.84 H new ATOM 0 HB3 GLU A 66 11.029 -7.811 -6.165 1.00 0.84 H new ATOM 0 HG2 GLU A 66 9.979 -10.018 -6.787 1.00 1.03 H new ATOM 0 HG3 GLU A 66 10.796 -9.941 -8.336 1.00 1.03 H new ATOM 1067 N ILE A 67 9.391 -5.635 -6.104 1.00 0.86 N ATOM 1068 CA ILE A 67 9.444 -4.310 -5.482 1.00 0.91 C ATOM 1069 C ILE A 67 9.894 -4.374 -4.017 1.00 0.79 C ATOM 1070 O ILE A 67 9.575 -5.319 -3.302 1.00 0.70 O ATOM 1071 CB ILE A 67 8.073 -3.599 -5.569 1.00 1.04 C ATOM 1072 CG1 ILE A 67 6.882 -4.580 -5.533 1.00 1.27 C ATOM 1073 CG2 ILE A 67 8.013 -2.716 -6.820 1.00 1.70 C ATOM 1074 CD1 ILE A 67 5.561 -3.911 -5.189 1.00 1.55 C ATOM 0 H ILE A 67 9.080 -6.356 -5.453 1.00 0.86 H new ATOM 0 HA ILE A 67 10.185 -3.737 -6.040 1.00 0.91 H new ATOM 0 HB ILE A 67 7.982 -2.973 -4.681 1.00 1.04 H new ATOM 0 HG12 ILE A 67 6.792 -5.067 -6.504 1.00 1.27 H new ATOM 0 HG13 ILE A 67 7.086 -5.362 -4.802 1.00 1.27 H new ATOM 0 HG21 ILE A 67 7.043 -2.221 -6.870 1.00 1.70 H new ATOM 0 HG22 ILE A 67 8.802 -1.965 -6.773 1.00 1.70 H new ATOM 0 HG23 ILE A 67 8.151 -3.333 -7.708 1.00 1.70 H new ATOM 0 HD11 ILE A 67 4.767 -4.657 -5.181 1.00 1.55 H new ATOM 0 HD12 ILE A 67 5.633 -3.447 -4.205 1.00 1.55 H new ATOM 0 HD13 ILE A 67 5.335 -3.148 -5.934 1.00 1.55 H new ATOM 1086 N ASP A 68 10.588 -3.314 -3.595 1.00 0.91 N ATOM 1087 CA ASP A 68 11.009 -2.988 -2.224 1.00 0.90 C ATOM 1088 C ASP A 68 9.935 -2.155 -1.489 1.00 0.82 C ATOM 1089 O ASP A 68 9.031 -1.559 -2.088 1.00 1.04 O ATOM 1090 CB ASP A 68 12.386 -2.267 -2.307 1.00 1.08 C ATOM 1091 CG ASP A 68 12.738 -1.271 -1.182 1.00 1.91 C ATOM 1092 OD1 ASP A 68 13.031 -1.681 -0.036 1.00 3.44 O ATOM 1093 OD2 ASP A 68 12.717 -0.053 -1.469 1.00 2.08 O ATOM 0 H ASP A 68 10.897 -2.601 -4.256 1.00 0.91 H new ATOM 0 HA ASP A 68 11.121 -3.896 -1.631 1.00 0.90 H new ATOM 0 HB2 ASP A 68 13.164 -3.030 -2.336 1.00 1.08 H new ATOM 0 HB3 ASP A 68 12.429 -1.732 -3.256 1.00 1.08 H new ATOM 1098 N PHE A 69 10.091 -2.069 -0.164 1.00 0.73 N ATOM 1099 CA PHE A 69 9.239 -1.343 0.780 1.00 0.69 C ATOM 1100 C PHE A 69 8.911 0.102 0.350 1.00 0.68 C ATOM 1101 O PHE A 69 7.884 0.648 0.749 1.00 0.65 O ATOM 1102 CB PHE A 69 9.958 -1.343 2.141 1.00 0.79 C ATOM 1103 CG PHE A 69 9.054 -1.417 3.359 1.00 1.12 C ATOM 1104 CD1 PHE A 69 8.318 -0.299 3.797 1.00 2.02 C ATOM 1105 CD2 PHE A 69 8.982 -2.617 4.086 1.00 2.47 C ATOM 1106 CE1 PHE A 69 7.552 -0.359 4.975 1.00 2.70 C ATOM 1107 CE2 PHE A 69 8.198 -2.690 5.249 1.00 3.13 C ATOM 1108 CZ PHE A 69 7.498 -1.559 5.704 1.00 2.86 C ATOM 0 H PHE A 69 10.866 -2.535 0.307 1.00 0.73 H new ATOM 0 HA PHE A 69 8.276 -1.851 0.825 1.00 0.69 H new ATOM 0 HB2 PHE A 69 10.646 -2.188 2.169 1.00 0.79 H new ATOM 0 HB3 PHE A 69 10.562 -0.438 2.213 1.00 0.79 H new ATOM 0 HD1 PHE A 69 8.342 0.615 3.222 1.00 2.02 H new ATOM 0 HD2 PHE A 69 9.530 -3.485 3.750 1.00 2.47 H new ATOM 0 HE1 PHE A 69 7.010 0.510 5.317 1.00 2.70 H new ATOM 0 HE2 PHE A 69 8.133 -3.619 5.796 1.00 3.13 H new ATOM 0 HZ PHE A 69 6.919 -1.612 6.614 1.00 2.86 H new ATOM 1118 N LYS A 70 9.748 0.750 -0.465 1.00 0.79 N ATOM 1119 CA LYS A 70 9.585 2.157 -0.851 1.00 0.86 C ATOM 1120 C LYS A 70 8.491 2.345 -1.903 1.00 0.80 C ATOM 1121 O LYS A 70 7.670 3.252 -1.763 1.00 0.76 O ATOM 1122 CB LYS A 70 10.921 2.644 -1.398 1.00 1.09 C ATOM 1123 CG LYS A 70 11.965 2.753 -0.272 1.00 2.45 C ATOM 1124 CD LYS A 70 13.401 2.908 -0.787 1.00 2.90 C ATOM 1125 CE LYS A 70 14.325 2.248 0.242 1.00 4.30 C ATOM 1126 NZ LYS A 70 15.742 2.250 -0.186 1.00 4.80 N ATOM 0 H LYS A 70 10.568 0.308 -0.881 1.00 0.79 H new ATOM 0 HA LYS A 70 9.281 2.732 0.023 1.00 0.86 H new ATOM 0 HB2 LYS A 70 11.277 1.957 -2.165 1.00 1.09 H new ATOM 0 HB3 LYS A 70 10.791 3.615 -1.875 1.00 1.09 H new ATOM 0 HG2 LYS A 70 11.719 3.606 0.360 1.00 2.45 H new ATOM 0 HG3 LYS A 70 11.906 1.864 0.356 1.00 2.45 H new ATOM 0 HD2 LYS A 70 13.513 2.436 -1.763 1.00 2.90 H new ATOM 0 HD3 LYS A 70 13.654 3.961 -0.911 1.00 2.90 H new ATOM 0 HE2 LYS A 70 14.236 2.771 1.194 1.00 4.30 H new ATOM 0 HE3 LYS A 70 14.001 1.221 0.411 1.00 4.30 H new ATOM 0 HZ1 LYS A 70 16.293 1.623 0.434 1.00 4.80 H new ATOM 0 HZ2 LYS A 70 15.809 1.912 -1.167 1.00 4.80 H new ATOM 0 HZ3 LYS A 70 16.121 3.216 -0.126 1.00 4.80 H new ATOM 1140 N GLU A 71 8.455 1.454 -2.892 1.00 0.85 N ATOM 1141 CA GLU A 71 7.364 1.343 -3.860 1.00 0.81 C ATOM 1142 C GLU A 71 6.051 1.034 -3.139 1.00 0.70 C ATOM 1143 O GLU A 71 5.012 1.623 -3.422 1.00 0.73 O ATOM 1144 CB GLU A 71 7.714 0.244 -4.866 1.00 0.98 C ATOM 1145 CG GLU A 71 8.657 0.799 -5.943 1.00 1.07 C ATOM 1146 CD GLU A 71 7.918 1.028 -7.265 1.00 1.52 C ATOM 1147 OE1 GLU A 71 6.817 1.627 -7.251 1.00 2.33 O ATOM 1148 OE2 GLU A 71 8.372 0.498 -8.300 1.00 2.25 O ATOM 0 H GLU A 71 9.199 0.774 -3.047 1.00 0.85 H new ATOM 0 HA GLU A 71 7.234 2.286 -4.391 1.00 0.81 H new ATOM 0 HB2 GLU A 71 8.187 -0.593 -4.353 1.00 0.98 H new ATOM 0 HB3 GLU A 71 6.805 -0.139 -5.329 1.00 0.98 H new ATOM 0 HG2 GLU A 71 9.092 1.738 -5.600 1.00 1.07 H new ATOM 0 HG3 GLU A 71 9.482 0.104 -6.101 1.00 1.07 H new ATOM 1155 N TYR A 72 6.128 0.191 -2.113 1.00 0.65 N ATOM 1156 CA TYR A 72 4.974 -0.101 -1.248 1.00 0.56 C ATOM 1157 C TYR A 72 4.533 1.146 -0.457 1.00 0.54 C ATOM 1158 O TYR A 72 3.346 1.447 -0.383 1.00 0.55 O ATOM 1159 CB TYR A 72 5.344 -1.291 -0.355 1.00 0.55 C ATOM 1160 CG TYR A 72 4.577 -1.456 0.949 1.00 0.57 C ATOM 1161 CD1 TYR A 72 3.191 -1.707 0.943 1.00 1.51 C ATOM 1162 CD2 TYR A 72 5.267 -1.444 2.175 1.00 1.78 C ATOM 1163 CE1 TYR A 72 2.522 -2.054 2.125 1.00 1.60 C ATOM 1164 CE2 TYR A 72 4.597 -1.758 3.372 1.00 1.81 C ATOM 1165 CZ TYR A 72 3.232 -2.109 3.346 1.00 0.81 C ATOM 1166 OH TYR A 72 2.601 -2.539 4.472 1.00 0.99 O ATOM 0 H TYR A 72 6.979 -0.307 -1.854 1.00 0.65 H new ATOM 0 HA TYR A 72 4.104 -0.373 -1.846 1.00 0.56 H new ATOM 0 HB2 TYR A 72 5.215 -2.202 -0.939 1.00 0.55 H new ATOM 0 HB3 TYR A 72 6.404 -1.214 -0.114 1.00 0.55 H new ATOM 0 HD1 TYR A 72 2.638 -1.631 0.018 1.00 1.51 H new ATOM 0 HD2 TYR A 72 6.317 -1.192 2.198 1.00 1.78 H new ATOM 0 HE1 TYR A 72 1.466 -2.279 2.103 1.00 1.60 H new ATOM 0 HE2 TYR A 72 5.129 -1.730 4.311 1.00 1.81 H new ATOM 0 HH TYR A 72 3.267 -2.763 5.155 1.00 0.99 H new ATOM 1176 N SER A 73 5.482 1.911 0.076 1.00 0.55 N ATOM 1177 CA SER A 73 5.229 3.151 0.804 1.00 0.57 C ATOM 1178 C SER A 73 4.644 4.255 -0.087 1.00 0.54 C ATOM 1179 O SER A 73 3.604 4.804 0.280 1.00 0.55 O ATOM 1180 CB SER A 73 6.514 3.618 1.491 1.00 0.62 C ATOM 1181 OG SER A 73 6.256 4.747 2.297 1.00 1.91 O ATOM 0 H SER A 73 6.473 1.680 0.012 1.00 0.55 H new ATOM 0 HA SER A 73 4.472 2.941 1.559 1.00 0.57 H new ATOM 0 HB2 SER A 73 6.921 2.812 2.102 1.00 0.62 H new ATOM 0 HB3 SER A 73 7.267 3.862 0.742 1.00 0.62 H new ATOM 0 HG SER A 73 6.892 4.769 3.042 1.00 1.91 H new ATOM 1187 N VAL A 74 5.237 4.558 -1.254 1.00 0.57 N ATOM 1188 CA VAL A 74 4.676 5.545 -2.192 1.00 0.57 C ATOM 1189 C VAL A 74 3.326 5.097 -2.726 1.00 0.58 C ATOM 1190 O VAL A 74 2.482 5.961 -2.910 1.00 0.59 O ATOM 1191 CB VAL A 74 5.568 5.917 -3.400 1.00 0.62 C ATOM 1192 CG1 VAL A 74 6.874 6.565 -2.946 1.00 0.65 C ATOM 1193 CG2 VAL A 74 5.860 4.766 -4.364 1.00 0.71 C ATOM 0 H VAL A 74 6.108 4.132 -1.571 1.00 0.57 H new ATOM 0 HA VAL A 74 4.591 6.442 -1.579 1.00 0.57 H new ATOM 0 HB VAL A 74 4.975 6.635 -3.966 1.00 0.62 H new ATOM 0 HG11 VAL A 74 7.479 6.815 -3.818 1.00 0.65 H new ATOM 0 HG12 VAL A 74 6.654 7.473 -2.385 1.00 0.65 H new ATOM 0 HG13 VAL A 74 7.423 5.870 -2.311 1.00 0.65 H new ATOM 0 HG21 VAL A 74 6.492 5.124 -5.177 1.00 0.71 H new ATOM 0 HG22 VAL A 74 6.374 3.966 -3.831 1.00 0.71 H new ATOM 0 HG23 VAL A 74 4.923 4.387 -4.772 1.00 0.71 H new ATOM 1203 N PHE A 75 3.074 3.797 -2.925 1.00 0.62 N ATOM 1204 CA PHE A 75 1.758 3.336 -3.345 1.00 0.62 C ATOM 1205 C PHE A 75 0.739 3.485 -2.218 1.00 0.63 C ATOM 1206 O PHE A 75 -0.293 4.093 -2.457 1.00 0.64 O ATOM 1207 CB PHE A 75 1.828 1.898 -3.859 1.00 0.61 C ATOM 1208 CG PHE A 75 0.599 1.510 -4.652 1.00 0.55 C ATOM 1209 CD1 PHE A 75 -0.570 1.052 -4.012 1.00 1.73 C ATOM 1210 CD2 PHE A 75 0.618 1.656 -6.050 1.00 1.93 C ATOM 1211 CE1 PHE A 75 -1.680 0.661 -4.782 1.00 1.71 C ATOM 1212 CE2 PHE A 75 -0.488 1.266 -6.815 1.00 1.97 C ATOM 1213 CZ PHE A 75 -1.629 0.752 -6.184 1.00 0.62 C ATOM 0 H PHE A 75 3.763 3.055 -2.801 1.00 0.62 H new ATOM 0 HA PHE A 75 1.421 3.965 -4.169 1.00 0.62 H new ATOM 0 HB2 PHE A 75 2.713 1.781 -4.485 1.00 0.61 H new ATOM 0 HB3 PHE A 75 1.942 1.218 -3.015 1.00 0.61 H new ATOM 0 HD1 PHE A 75 -0.613 1.001 -2.934 1.00 1.73 H new ATOM 0 HD2 PHE A 75 1.489 2.071 -6.536 1.00 1.93 H new ATOM 0 HE1 PHE A 75 -2.571 0.291 -4.297 1.00 1.71 H new ATOM 0 HE2 PHE A 75 -0.462 1.361 -7.890 1.00 1.97 H new ATOM 0 HZ PHE A 75 -2.471 0.425 -6.776 1.00 0.62 H new ATOM 1223 N LEU A 76 1.023 3.035 -0.984 1.00 0.64 N ATOM 1224 CA LEU A 76 0.150 3.272 0.176 1.00 0.64 C ATOM 1225 C LEU A 76 -0.126 4.762 0.402 1.00 0.62 C ATOM 1226 O LEU A 76 -1.255 5.131 0.719 1.00 0.69 O ATOM 1227 CB LEU A 76 0.794 2.717 1.459 1.00 0.63 C ATOM 1228 CG LEU A 76 0.727 1.198 1.693 1.00 0.73 C ATOM 1229 CD1 LEU A 76 1.394 0.943 3.054 1.00 1.09 C ATOM 1230 CD2 LEU A 76 -0.709 0.652 1.681 1.00 0.75 C ATOM 0 H LEU A 76 1.862 2.498 -0.764 1.00 0.64 H new ATOM 0 HA LEU A 76 -0.789 2.763 -0.041 1.00 0.64 H new ATOM 0 HB2 LEU A 76 1.844 3.011 1.462 1.00 0.63 H new ATOM 0 HB3 LEU A 76 0.323 3.209 2.310 1.00 0.63 H new ATOM 0 HG LEU A 76 1.238 0.677 0.883 1.00 0.73 H new ATOM 0 HD11 LEU A 76 1.375 -0.124 3.274 1.00 1.09 H new ATOM 0 HD12 LEU A 76 2.427 1.289 3.023 1.00 1.09 H new ATOM 0 HD13 LEU A 76 0.853 1.483 3.831 1.00 1.09 H new ATOM 0 HD21 LEU A 76 -0.690 -0.424 1.851 1.00 0.75 H new ATOM 0 HD22 LEU A 76 -1.288 1.134 2.469 1.00 0.75 H new ATOM 0 HD23 LEU A 76 -1.169 0.859 0.715 1.00 0.75 H new ATOM 1242 N THR A 77 0.893 5.609 0.228 1.00 0.58 N ATOM 1243 CA THR A 77 0.816 7.063 0.416 1.00 0.60 C ATOM 1244 C THR A 77 -0.010 7.703 -0.696 1.00 0.60 C ATOM 1245 O THR A 77 -0.967 8.413 -0.414 1.00 0.66 O ATOM 1246 CB THR A 77 2.228 7.651 0.492 1.00 0.63 C ATOM 1247 OG1 THR A 77 2.918 7.080 1.573 1.00 0.68 O ATOM 1248 CG2 THR A 77 2.193 9.151 0.738 1.00 0.77 C ATOM 0 H THR A 77 1.821 5.294 -0.056 1.00 0.58 H new ATOM 0 HA THR A 77 0.311 7.281 1.357 1.00 0.60 H new ATOM 0 HB THR A 77 2.717 7.440 -0.459 1.00 0.63 H new ATOM 0 HG1 THR A 77 3.308 6.225 1.297 1.00 0.68 H new ATOM 0 HG21 THR A 77 3.212 9.536 0.786 1.00 0.77 H new ATOM 0 HG22 THR A 77 1.658 9.641 -0.076 1.00 0.77 H new ATOM 0 HG23 THR A 77 1.684 9.353 1.680 1.00 0.77 H new ATOM 1256 N MET A 78 0.318 7.405 -1.954 1.00 0.62 N ATOM 1257 CA MET A 78 -0.418 7.817 -3.159 1.00 0.64 C ATOM 1258 C MET A 78 -1.877 7.370 -3.126 1.00 0.69 C ATOM 1259 O MET A 78 -2.743 8.124 -3.538 1.00 0.75 O ATOM 1260 CB MET A 78 0.292 7.222 -4.388 1.00 0.71 C ATOM 1261 CG MET A 78 -0.385 7.503 -5.729 1.00 1.02 C ATOM 1262 SD MET A 78 0.652 7.149 -7.176 1.00 1.25 S ATOM 1263 CE MET A 78 1.091 5.418 -6.874 1.00 1.29 C ATOM 0 H MET A 78 1.141 6.844 -2.175 1.00 0.62 H new ATOM 0 HA MET A 78 -0.425 8.906 -3.207 1.00 0.64 H new ATOM 0 HB2 MET A 78 1.309 7.611 -4.424 1.00 0.71 H new ATOM 0 HB3 MET A 78 0.368 6.143 -4.257 1.00 0.71 H new ATOM 0 HG2 MET A 78 -1.296 6.908 -5.795 1.00 1.02 H new ATOM 0 HG3 MET A 78 -0.685 8.550 -5.759 1.00 1.02 H new ATOM 0 HE1 MET A 78 1.592 5.011 -7.752 1.00 1.29 H new ATOM 0 HE2 MET A 78 1.759 5.357 -6.015 1.00 1.29 H new ATOM 0 HE3 MET A 78 0.187 4.843 -6.673 1.00 1.29 H new ATOM 1273 N LEU A 79 -2.139 6.162 -2.631 1.00 0.74 N ATOM 1274 CA LEU A 79 -3.463 5.593 -2.444 1.00 0.90 C ATOM 1275 C LEU A 79 -4.234 6.330 -1.350 1.00 0.93 C ATOM 1276 O LEU A 79 -5.359 6.750 -1.587 1.00 1.00 O ATOM 1277 CB LEU A 79 -3.296 4.095 -2.133 1.00 1.09 C ATOM 1278 CG LEU A 79 -4.579 3.355 -1.748 1.00 1.26 C ATOM 1279 CD1 LEU A 79 -5.655 3.532 -2.818 1.00 1.65 C ATOM 1280 CD2 LEU A 79 -4.284 1.863 -1.567 1.00 2.28 C ATOM 0 H LEU A 79 -1.396 5.528 -2.337 1.00 0.74 H new ATOM 0 HA LEU A 79 -4.055 5.707 -3.352 1.00 0.90 H new ATOM 0 HB2 LEU A 79 -2.864 3.606 -3.006 1.00 1.09 H new ATOM 0 HB3 LEU A 79 -2.578 3.988 -1.320 1.00 1.09 H new ATOM 0 HG LEU A 79 -4.946 3.776 -0.812 1.00 1.26 H new ATOM 0 HD11 LEU A 79 -6.556 2.996 -2.520 1.00 1.65 H new ATOM 0 HD12 LEU A 79 -5.884 4.592 -2.932 1.00 1.65 H new ATOM 0 HD13 LEU A 79 -5.294 3.135 -3.766 1.00 1.65 H new ATOM 0 HD21 LEU A 79 -5.201 1.341 -1.293 1.00 2.28 H new ATOM 0 HD22 LEU A 79 -3.898 1.453 -2.500 1.00 2.28 H new ATOM 0 HD23 LEU A 79 -3.543 1.732 -0.779 1.00 2.28 H new ATOM 1292 N CYS A 80 -3.635 6.534 -0.173 1.00 0.93 N ATOM 1293 CA CYS A 80 -4.262 7.305 0.908 1.00 1.03 C ATOM 1294 C CYS A 80 -4.645 8.721 0.441 1.00 1.06 C ATOM 1295 O CYS A 80 -5.767 9.176 0.660 1.00 1.24 O ATOM 1296 CB CYS A 80 -3.280 7.310 2.091 1.00 1.04 C ATOM 1297 SG CYS A 80 -4.113 7.917 3.581 1.00 1.32 S ATOM 0 H CYS A 80 -2.709 6.173 0.058 1.00 0.93 H new ATOM 0 HA CYS A 80 -5.201 6.847 1.219 1.00 1.03 H new ATOM 0 HB2 CYS A 80 -2.898 6.304 2.262 1.00 1.04 H new ATOM 0 HB3 CYS A 80 -2.422 7.942 1.860 1.00 1.04 H new ATOM 0 HG CYS A 80 -5.116 8.670 3.241 1.00 1.32 H new ATOM 1303 N MET A 81 -3.743 9.378 -0.292 1.00 0.99 N ATOM 1304 CA MET A 81 -3.967 10.691 -0.912 1.00 1.05 C ATOM 1305 C MET A 81 -4.688 10.639 -2.281 1.00 1.17 C ATOM 1306 O MET A 81 -4.760 11.661 -2.963 1.00 1.53 O ATOM 1307 CB MET A 81 -2.650 11.488 -0.915 1.00 1.19 C ATOM 1308 CG MET A 81 -2.498 12.329 0.368 1.00 2.65 C ATOM 1309 SD MET A 81 -2.623 11.494 1.978 1.00 5.02 S ATOM 1310 CE MET A 81 -1.001 10.719 2.047 1.00 5.71 C ATOM 0 H MET A 81 -2.812 9.004 -0.477 1.00 0.99 H new ATOM 0 HA MET A 81 -4.685 11.233 -0.297 1.00 1.05 H new ATOM 0 HB2 MET A 81 -1.808 10.802 -1.004 1.00 1.19 H new ATOM 0 HB3 MET A 81 -2.621 12.142 -1.786 1.00 1.19 H new ATOM 0 HG2 MET A 81 -1.527 12.823 0.326 1.00 2.65 H new ATOM 0 HG3 MET A 81 -3.256 13.112 0.342 1.00 2.65 H new ATOM 0 HE1 MET A 81 -1.067 9.787 2.608 1.00 5.71 H new ATOM 0 HE2 MET A 81 -0.654 10.510 1.035 1.00 5.71 H new ATOM 0 HE3 MET A 81 -0.298 11.390 2.540 1.00 5.71 H new ATOM 1320 N ALA A 82 -5.229 9.481 -2.696 1.00 1.12 N ATOM 1321 CA ALA A 82 -6.064 9.330 -3.902 1.00 1.33 C ATOM 1322 C ALA A 82 -7.534 9.735 -3.663 1.00 1.35 C ATOM 1323 O ALA A 82 -8.341 9.744 -4.599 1.00 1.65 O ATOM 1324 CB ALA A 82 -5.971 7.887 -4.433 1.00 1.40 C ATOM 0 H ALA A 82 -5.096 8.604 -2.192 1.00 1.12 H new ATOM 0 HA ALA A 82 -5.674 10.015 -4.654 1.00 1.33 H new ATOM 0 HB1 ALA A 82 -6.591 7.786 -5.324 1.00 1.40 H new ATOM 0 HB2 ALA A 82 -4.935 7.658 -4.684 1.00 1.40 H new ATOM 0 HB3 ALA A 82 -6.320 7.194 -3.667 1.00 1.40 H new ATOM 1330 N TYR A 83 -7.905 10.030 -2.408 1.00 1.23 N ATOM 1331 CA TYR A 83 -9.299 10.233 -1.986 1.00 1.53 C ATOM 1332 C TYR A 83 -9.504 10.911 -0.615 1.00 1.58 C ATOM 1333 O TYR A 83 -10.640 10.934 -0.137 1.00 2.14 O ATOM 1334 CB TYR A 83 -10.027 8.874 -2.025 1.00 1.79 C ATOM 1335 CG TYR A 83 -9.444 7.777 -1.142 1.00 1.66 C ATOM 1336 CD1 TYR A 83 -9.608 7.802 0.259 1.00 2.03 C ATOM 1337 CD2 TYR A 83 -8.749 6.707 -1.732 1.00 2.59 C ATOM 1338 CE1 TYR A 83 -9.058 6.785 1.063 1.00 2.17 C ATOM 1339 CE2 TYR A 83 -8.187 5.694 -0.933 1.00 2.52 C ATOM 1340 CZ TYR A 83 -8.331 5.728 0.469 1.00 1.72 C ATOM 1341 OH TYR A 83 -7.767 4.752 1.233 1.00 1.89 O ATOM 0 H TYR A 83 -7.235 10.136 -1.646 1.00 1.23 H new ATOM 0 HA TYR A 83 -9.721 10.946 -2.694 1.00 1.53 H new ATOM 0 HB2 TYR A 83 -11.066 9.032 -1.735 1.00 1.79 H new ATOM 0 HB3 TYR A 83 -10.034 8.518 -3.055 1.00 1.79 H new ATOM 0 HD1 TYR A 83 -10.160 8.608 0.719 1.00 2.03 H new ATOM 0 HD2 TYR A 83 -8.646 6.662 -2.806 1.00 2.59 H new ATOM 0 HE1 TYR A 83 -9.192 6.813 2.134 1.00 2.17 H new ATOM 0 HE2 TYR A 83 -7.642 4.885 -1.397 1.00 2.52 H new ATOM 0 HH TYR A 83 -7.308 4.108 0.654 1.00 1.89 H new ATOM 1351 N ASN A 84 -8.456 11.378 0.063 1.00 1.37 N ATOM 1352 CA ASN A 84 -8.582 11.936 1.415 1.00 1.56 C ATOM 1353 C ASN A 84 -9.344 13.275 1.463 1.00 1.74 C ATOM 1354 O ASN A 84 -9.483 13.989 0.472 1.00 3.01 O ATOM 1355 CB ASN A 84 -7.220 11.981 2.129 1.00 1.55 C ATOM 1356 CG ASN A 84 -6.178 12.901 1.494 1.00 2.45 C ATOM 1357 OD1 ASN A 84 -6.097 13.073 0.289 1.00 3.87 O ATOM 1358 ND2 ASN A 84 -5.328 13.506 2.299 1.00 2.86 N ATOM 0 H ASN A 84 -7.504 11.382 -0.302 1.00 1.37 H new ATOM 0 HA ASN A 84 -9.214 11.250 1.979 1.00 1.56 H new ATOM 0 HB2 ASN A 84 -7.379 12.297 3.160 1.00 1.55 H new ATOM 0 HB3 ASN A 84 -6.814 10.970 2.165 1.00 1.55 H new ATOM 0 HD21 ASN A 84 -4.606 14.115 1.914 1.00 2.86 H new ATOM 0 HD22 ASN A 84 -5.392 13.365 3.307 1.00 2.86 H new ATOM 1365 N ASP A 85 -9.840 13.606 2.654 1.00 1.91 N ATOM 1366 CA ASP A 85 -10.735 14.721 2.964 1.00 2.28 C ATOM 1367 C ASP A 85 -10.670 15.016 4.474 1.00 2.50 C ATOM 1368 O ASP A 85 -9.900 14.375 5.188 1.00 3.98 O ATOM 1369 CB ASP A 85 -12.167 14.424 2.470 1.00 3.13 C ATOM 1370 CG ASP A 85 -12.846 13.250 3.186 1.00 4.64 C ATOM 1371 OD1 ASP A 85 -12.642 12.094 2.740 1.00 5.24 O ATOM 1372 OD2 ASP A 85 -13.607 13.510 4.141 1.00 5.87 O ATOM 0 H ASP A 85 -9.611 13.064 3.487 1.00 1.91 H new ATOM 0 HA ASP A 85 -10.413 15.619 2.436 1.00 2.28 H new ATOM 0 HB2 ASP A 85 -12.777 15.317 2.601 1.00 3.13 H new ATOM 0 HB3 ASP A 85 -12.135 14.214 1.401 1.00 3.13 H new ATOM 1377 N PHE A 86 -11.433 16.012 4.949 1.00 2.53 N ATOM 1378 CA PHE A 86 -11.560 16.448 6.354 1.00 2.95 C ATOM 1379 C PHE A 86 -10.325 17.212 6.870 1.00 2.79 C ATOM 1380 O PHE A 86 -10.467 18.203 7.582 1.00 3.32 O ATOM 1381 CB PHE A 86 -11.917 15.255 7.266 1.00 3.49 C ATOM 1382 CG PHE A 86 -12.484 15.645 8.619 1.00 4.84 C ATOM 1383 CD1 PHE A 86 -11.621 15.938 9.697 1.00 6.35 C ATOM 1384 CD2 PHE A 86 -13.877 15.701 8.814 1.00 5.29 C ATOM 1385 CE1 PHE A 86 -12.149 16.293 10.951 1.00 8.01 C ATOM 1386 CE2 PHE A 86 -14.406 16.047 10.071 1.00 6.77 C ATOM 1387 CZ PHE A 86 -13.542 16.344 11.141 1.00 8.08 C ATOM 0 H PHE A 86 -12.015 16.571 4.326 1.00 2.53 H new ATOM 0 HA PHE A 86 -12.381 17.164 6.386 1.00 2.95 H new ATOM 0 HB2 PHE A 86 -12.641 14.624 6.751 1.00 3.49 H new ATOM 0 HB3 PHE A 86 -11.022 14.652 7.421 1.00 3.49 H new ATOM 0 HD1 PHE A 86 -10.551 15.889 9.558 1.00 6.35 H new ATOM 0 HD2 PHE A 86 -14.543 15.477 7.994 1.00 5.29 H new ATOM 0 HE1 PHE A 86 -11.484 16.527 11.769 1.00 8.01 H new ATOM 0 HE2 PHE A 86 -15.476 16.085 10.215 1.00 6.77 H new ATOM 0 HZ PHE A 86 -13.947 16.611 12.106 1.00 8.08 H new ATOM 1397 N PHE A 87 -9.114 16.797 6.484 1.00 2.38 N ATOM 1398 CA PHE A 87 -7.847 17.466 6.805 1.00 2.42 C ATOM 1399 C PHE A 87 -7.475 18.578 5.803 1.00 2.20 C ATOM 1400 O PHE A 87 -6.457 19.239 5.972 1.00 2.50 O ATOM 1401 CB PHE A 87 -6.697 16.440 6.852 1.00 2.49 C ATOM 1402 CG PHE A 87 -7.038 14.978 7.091 1.00 2.73 C ATOM 1403 CD1 PHE A 87 -7.618 14.564 8.305 1.00 3.67 C ATOM 1404 CD2 PHE A 87 -6.744 14.025 6.095 1.00 2.84 C ATOM 1405 CE1 PHE A 87 -7.910 13.207 8.516 1.00 4.16 C ATOM 1406 CE2 PHE A 87 -7.029 12.664 6.312 1.00 3.47 C ATOM 1407 CZ PHE A 87 -7.616 12.255 7.523 1.00 3.91 C ATOM 0 H PHE A 87 -8.984 15.957 5.920 1.00 2.38 H new ATOM 0 HA PHE A 87 -7.991 17.932 7.780 1.00 2.42 H new ATOM 0 HB2 PHE A 87 -6.157 16.504 5.907 1.00 2.49 H new ATOM 0 HB3 PHE A 87 -6.007 16.752 7.636 1.00 2.49 H new ATOM 0 HD1 PHE A 87 -7.838 15.290 9.074 1.00 3.67 H new ATOM 0 HD2 PHE A 87 -6.299 14.340 5.163 1.00 2.84 H new ATOM 0 HE1 PHE A 87 -8.362 12.893 9.445 1.00 4.16 H new ATOM 0 HE2 PHE A 87 -6.797 11.935 5.550 1.00 3.47 H new ATOM 0 HZ PHE A 87 -7.841 11.212 7.690 1.00 3.91 H new ATOM 1417 N LEU A 88 -8.242 18.729 4.724 1.00 1.85 N ATOM 1418 CA LEU A 88 -7.855 19.429 3.493 1.00 1.85 C ATOM 1419 C LEU A 88 -8.049 20.951 3.577 1.00 2.45 C ATOM 1420 O LEU A 88 -8.538 21.464 4.588 1.00 2.83 O ATOM 1421 CB LEU A 88 -8.665 18.776 2.353 1.00 1.61 C ATOM 1422 CG LEU A 88 -8.080 17.459 1.791 1.00 2.68 C ATOM 1423 CD1 LEU A 88 -7.005 17.756 0.751 1.00 3.10 C ATOM 1424 CD2 LEU A 88 -7.471 16.500 2.829 1.00 3.89 C ATOM 0 H LEU A 88 -9.189 18.353 4.679 1.00 1.85 H new ATOM 0 HA LEU A 88 -6.785 19.323 3.312 1.00 1.85 H new ATOM 0 HB2 LEU A 88 -9.675 18.580 2.714 1.00 1.61 H new ATOM 0 HB3 LEU A 88 -8.752 19.492 1.536 1.00 1.61 H new ATOM 0 HG LEU A 88 -8.946 16.952 1.365 1.00 2.68 H new ATOM 0 HD11 LEU A 88 -6.603 16.819 0.365 1.00 3.10 H new ATOM 0 HD12 LEU A 88 -7.440 18.329 -0.068 1.00 3.10 H new ATOM 0 HD13 LEU A 88 -6.203 18.332 1.211 1.00 3.10 H new ATOM 0 HD21 LEU A 88 -7.092 15.611 2.325 1.00 3.89 H new ATOM 0 HD22 LEU A 88 -6.653 16.999 3.349 1.00 3.89 H new ATOM 0 HD23 LEU A 88 -8.236 16.210 3.549 1.00 3.89 H new ATOM 1436 N GLU A 89 -7.632 21.665 2.532 1.00 3.09 N ATOM 1437 CA GLU A 89 -7.918 23.089 2.339 1.00 3.84 C ATOM 1438 C GLU A 89 -9.155 23.267 1.447 1.00 3.51 C ATOM 1439 O GLU A 89 -10.011 24.085 1.769 1.00 3.86 O ATOM 1440 CB GLU A 89 -6.683 23.778 1.720 1.00 4.77 C ATOM 1441 CG GLU A 89 -5.854 24.616 2.702 1.00 5.46 C ATOM 1442 CD GLU A 89 -5.396 23.846 3.938 1.00 5.26 C ATOM 1443 OE1 GLU A 89 -4.982 22.667 3.829 1.00 5.87 O ATOM 1444 OE2 GLU A 89 -5.507 24.409 5.048 1.00 5.18 O ATOM 0 H GLU A 89 -7.074 21.262 1.779 1.00 3.09 H new ATOM 0 HA GLU A 89 -8.133 23.553 3.302 1.00 3.84 H new ATOM 0 HB2 GLU A 89 -6.040 23.015 1.283 1.00 4.77 H new ATOM 0 HB3 GLU A 89 -7.014 24.421 0.905 1.00 4.77 H new ATOM 0 HG2 GLU A 89 -4.978 25.005 2.183 1.00 5.46 H new ATOM 0 HG3 GLU A 89 -6.444 25.476 3.019 1.00 5.46 H new ATOM 1451 N ASP A 90 -9.271 22.497 0.359 1.00 3.13 N ATOM 1452 CA ASP A 90 -10.332 22.646 -0.644 1.00 3.15 C ATOM 1453 C ASP A 90 -10.646 21.342 -1.405 1.00 3.37 C ATOM 1454 O ASP A 90 -11.809 21.002 -1.613 1.00 3.79 O ATOM 1455 CB ASP A 90 -9.920 23.781 -1.603 1.00 4.32 C ATOM 1456 CG ASP A 90 -8.482 23.714 -2.137 1.00 5.67 C ATOM 1457 OD1 ASP A 90 -8.123 22.734 -2.834 1.00 6.44 O ATOM 1458 OD2 ASP A 90 -7.691 24.641 -1.836 1.00 6.55 O ATOM 0 H ASP A 90 -8.620 21.741 0.147 1.00 3.13 H new ATOM 0 HA ASP A 90 -11.262 22.896 -0.133 1.00 3.15 H new ATOM 0 HB2 ASP A 90 -10.603 23.780 -2.452 1.00 4.32 H new ATOM 0 HB3 ASP A 90 -10.053 24.733 -1.088 1.00 4.32 H new ATOM 1463 N ASN A 91 -9.596 20.597 -1.754 1.00 4.36 N ATOM 1464 CA ASN A 91 -9.551 19.310 -2.463 1.00 5.51 C ATOM 1465 C ASN A 91 -8.081 18.855 -2.618 1.00 6.13 C ATOM 1466 O ASN A 91 -7.819 17.653 -2.651 1.00 7.74 O ATOM 1467 CB ASN A 91 -10.278 19.342 -3.826 1.00 6.27 C ATOM 1468 CG ASN A 91 -10.859 17.984 -4.242 1.00 7.69 C ATOM 1469 OD1 ASN A 91 -12.004 17.877 -4.656 1.00 8.34 O ATOM 1470 ND2 ASN A 91 -10.114 16.893 -4.164 1.00 8.65 N ATOM 0 H ASN A 91 -8.653 20.912 -1.524 1.00 4.36 H new ATOM 0 HA ASN A 91 -10.094 18.583 -1.859 1.00 5.51 H new ATOM 0 HB2 ASN A 91 -11.084 20.075 -3.782 1.00 6.27 H new ATOM 0 HB3 ASN A 91 -9.581 19.680 -4.593 1.00 6.27 H new ATOM 0 HD21 ASN A 91 -10.499 15.991 -4.446 1.00 8.65 H new ATOM 0 HD22 ASN A 91 -9.155 16.954 -3.822 1.00 8.65 H new ATOM 1477 N LYS A 92 -7.112 19.786 -2.613 1.00 5.34 N ATOM 1478 CA LYS A 92 -5.825 19.568 -1.936 1.00 6.12 C ATOM 1479 C LYS A 92 -5.736 20.459 -0.689 1.00 6.06 C ATOM 1480 O LYS A 92 -6.750 21.079 -0.304 1.00 5.97 O ATOM 1481 CB LYS A 92 -4.658 19.687 -2.937 1.00 6.91 C ATOM 1482 CG LYS A 92 -4.525 20.995 -3.742 1.00 6.92 C ATOM 1483 CD LYS A 92 -3.998 22.191 -2.935 1.00 7.17 C ATOM 1484 CE LYS A 92 -5.077 23.237 -2.655 1.00 6.87 C ATOM 1485 NZ LYS A 92 -5.342 23.440 -1.213 1.00 7.12 N ATOM 1486 OXT LYS A 92 -4.628 20.636 -0.155 1.00 6.81 O ATOM 0 H LYS A 92 -7.196 20.694 -3.069 1.00 5.34 H new ATOM 0 HA LYS A 92 -5.748 18.548 -1.560 1.00 6.12 H new ATOM 0 HB2 LYS A 92 -3.729 19.538 -2.386 1.00 6.91 H new ATOM 0 HB3 LYS A 92 -4.743 18.865 -3.648 1.00 6.91 H new ATOM 0 HG2 LYS A 92 -3.858 20.821 -4.586 1.00 6.92 H new ATOM 0 HG3 LYS A 92 -5.500 21.253 -4.155 1.00 6.92 H new ATOM 0 HD2 LYS A 92 -3.590 21.834 -1.989 1.00 7.17 H new ATOM 0 HD3 LYS A 92 -3.178 22.658 -3.480 1.00 7.17 H new ATOM 0 HE2 LYS A 92 -4.775 24.186 -3.098 1.00 6.87 H new ATOM 0 HE3 LYS A 92 -6.001 22.935 -3.147 1.00 6.87 H new ATOM 0 HZ1 LYS A 92 -5.697 24.405 -1.058 1.00 7.12 H new ATOM 0 HZ2 LYS A 92 -6.053 22.753 -0.891 1.00 7.12 H new ATOM 0 HZ3 LYS A 92 -4.462 23.304 -0.676 1.00 7.12 H new TER 1500 LYS A 92 ATOM 1501 N MET B 1 -11.601 1.087 6.176 1.00 5.16 N ATOM 1502 CA MET B 1 -12.025 1.658 7.472 1.00 3.95 C ATOM 1503 C MET B 1 -11.580 0.781 8.629 1.00 2.93 C ATOM 1504 O MET B 1 -11.905 -0.400 8.633 1.00 4.02 O ATOM 1505 CB MET B 1 -13.538 1.819 7.539 1.00 4.94 C ATOM 1506 CG MET B 1 -14.008 3.148 6.930 1.00 6.04 C ATOM 1507 SD MET B 1 -13.310 3.582 5.309 1.00 7.27 S ATOM 1508 CE MET B 1 -12.079 4.833 5.780 1.00 8.07 C ATOM 0 H1 MET B 1 -12.192 1.477 5.415 1.00 5.16 H new ATOM 0 H2 MET B 1 -10.605 1.329 5.999 1.00 5.16 H new ATOM 0 H3 MET B 1 -11.707 0.053 6.201 1.00 5.16 H new ATOM 0 HA MET B 1 -11.553 2.637 7.553 1.00 3.95 H new ATOM 0 HB2 MET B 1 -14.013 0.992 7.012 1.00 4.94 H new ATOM 0 HB3 MET B 1 -13.862 1.763 8.578 1.00 4.94 H new ATOM 0 HG2 MET B 1 -15.094 3.117 6.838 1.00 6.04 H new ATOM 0 HG3 MET B 1 -13.770 3.949 7.630 1.00 6.04 H new ATOM 0 HE1 MET B 1 -12.424 5.819 5.467 1.00 8.07 H new ATOM 0 HE2 MET B 1 -11.944 4.822 6.862 1.00 8.07 H new ATOM 0 HE3 MET B 1 -11.129 4.610 5.294 1.00 8.07 H new ATOM 1517 N GLU B 2 -10.855 1.350 9.594 1.00 1.95 N ATOM 1518 CA GLU B 2 -10.420 0.758 10.876 1.00 1.68 C ATOM 1519 C GLU B 2 -9.455 -0.444 10.742 1.00 1.51 C ATOM 1520 O GLU B 2 -9.116 -1.168 11.679 1.00 2.14 O ATOM 1521 CB GLU B 2 -11.638 0.496 11.777 1.00 2.33 C ATOM 1522 CG GLU B 2 -11.247 0.498 13.258 1.00 3.50 C ATOM 1523 CD GLU B 2 -10.610 1.808 13.731 1.00 4.43 C ATOM 1524 OE1 GLU B 2 -10.872 2.883 13.145 1.00 4.67 O ATOM 1525 OE2 GLU B 2 -9.717 1.782 14.601 1.00 5.50 O ATOM 0 H GLU B 2 -10.528 2.311 9.499 1.00 1.95 H new ATOM 0 HA GLU B 2 -9.794 1.498 11.374 1.00 1.68 H new ATOM 0 HB2 GLU B 2 -12.396 1.259 11.598 1.00 2.33 H new ATOM 0 HB3 GLU B 2 -12.084 -0.464 11.518 1.00 2.33 H new ATOM 0 HG2 GLU B 2 -12.135 0.300 13.858 1.00 3.50 H new ATOM 0 HG3 GLU B 2 -10.550 -0.320 13.441 1.00 3.50 H new ATOM 1532 N THR B 3 -8.990 -0.623 9.518 1.00 1.11 N ATOM 1533 CA THR B 3 -7.948 -1.568 9.086 1.00 1.18 C ATOM 1534 C THR B 3 -6.623 -1.269 9.800 1.00 1.04 C ATOM 1535 O THR B 3 -6.348 -0.099 10.082 1.00 1.07 O ATOM 1536 CB THR B 3 -7.779 -1.594 7.550 1.00 1.46 C ATOM 1537 OG1 THR B 3 -6.567 -0.995 7.162 1.00 1.51 O ATOM 1538 CG2 THR B 3 -8.906 -0.885 6.793 1.00 2.36 C ATOM 0 H THR B 3 -9.350 -0.077 8.735 1.00 1.11 H new ATOM 0 HA THR B 3 -8.271 -2.569 9.373 1.00 1.18 H new ATOM 0 HB THR B 3 -7.798 -2.652 7.289 1.00 1.46 H new ATOM 0 HG1 THR B 3 -5.850 -1.662 7.188 1.00 1.51 H new ATOM 0 HG21 THR B 3 -8.718 -0.945 5.721 1.00 2.36 H new ATOM 0 HG22 THR B 3 -9.857 -1.366 7.022 1.00 2.36 H new ATOM 0 HG23 THR B 3 -8.946 0.161 7.096 1.00 2.36 H new ATOM 1546 N PRO B 4 -5.769 -2.275 10.064 1.00 1.03 N ATOM 1547 CA PRO B 4 -4.510 -2.064 10.772 1.00 1.04 C ATOM 1548 C PRO B 4 -3.563 -1.158 9.985 1.00 0.98 C ATOM 1549 O PRO B 4 -2.975 -0.244 10.562 1.00 1.07 O ATOM 1550 CB PRO B 4 -3.932 -3.465 11.003 1.00 1.24 C ATOM 1551 CG PRO B 4 -4.545 -4.305 9.884 1.00 1.33 C ATOM 1552 CD PRO B 4 -5.927 -3.676 9.701 1.00 1.20 C ATOM 0 HA PRO B 4 -4.659 -1.545 11.719 1.00 1.04 H new ATOM 0 HB2 PRO B 4 -2.843 -3.462 10.949 1.00 1.24 H new ATOM 0 HB3 PRO B 4 -4.202 -3.851 11.986 1.00 1.24 H new ATOM 0 HG2 PRO B 4 -3.954 -4.253 8.970 1.00 1.33 H new ATOM 0 HG3 PRO B 4 -4.614 -5.357 10.160 1.00 1.33 H new ATOM 0 HD2 PRO B 4 -6.271 -3.778 8.672 1.00 1.20 H new ATOM 0 HD3 PRO B 4 -6.667 -4.164 10.335 1.00 1.20 H new ATOM 1560 N LEU B 5 -3.435 -1.348 8.664 1.00 0.91 N ATOM 1561 CA LEU B 5 -2.546 -0.516 7.850 1.00 0.88 C ATOM 1562 C LEU B 5 -3.098 0.905 7.698 1.00 0.80 C ATOM 1563 O LEU B 5 -2.328 1.864 7.715 1.00 0.88 O ATOM 1564 CB LEU B 5 -2.345 -1.221 6.504 1.00 0.93 C ATOM 1565 CG LEU B 5 -1.144 -0.802 5.644 1.00 0.96 C ATOM 1566 CD1 LEU B 5 0.173 -0.790 6.430 1.00 1.56 C ATOM 1567 CD2 LEU B 5 -1.047 -1.819 4.495 1.00 1.60 C ATOM 0 H LEU B 5 -3.934 -2.068 8.141 1.00 0.91 H new ATOM 0 HA LEU B 5 -1.578 -0.400 8.338 1.00 0.88 H new ATOM 0 HB2 LEU B 5 -2.261 -2.291 6.696 1.00 0.93 H new ATOM 0 HB3 LEU B 5 -3.248 -1.073 5.911 1.00 0.93 H new ATOM 0 HG LEU B 5 -1.297 0.216 5.287 1.00 0.96 H new ATOM 0 HD11 LEU B 5 0.987 -0.487 5.772 1.00 1.56 H new ATOM 0 HD12 LEU B 5 0.095 -0.087 7.259 1.00 1.56 H new ATOM 0 HD13 LEU B 5 0.374 -1.788 6.819 1.00 1.56 H new ATOM 0 HD21 LEU B 5 -0.204 -1.563 3.853 1.00 1.60 H new ATOM 0 HD22 LEU B 5 -0.900 -2.818 4.905 1.00 1.60 H new ATOM 0 HD23 LEU B 5 -1.968 -1.798 3.912 1.00 1.60 H new ATOM 1579 N GLU B 6 -4.426 1.059 7.669 1.00 0.75 N ATOM 1580 CA GLU B 6 -5.095 2.352 7.761 1.00 0.78 C ATOM 1581 C GLU B 6 -4.720 3.077 9.065 1.00 0.81 C ATOM 1582 O GLU B 6 -4.472 4.285 9.023 1.00 0.89 O ATOM 1583 CB GLU B 6 -6.614 2.168 7.629 1.00 0.86 C ATOM 1584 CG GLU B 6 -7.395 3.476 7.473 1.00 1.48 C ATOM 1585 CD GLU B 6 -8.890 3.191 7.522 1.00 2.54 C ATOM 1586 OE1 GLU B 6 -9.428 2.609 6.557 1.00 3.57 O ATOM 1587 OE2 GLU B 6 -9.539 3.490 8.546 1.00 3.52 O ATOM 0 H GLU B 6 -5.072 0.275 7.580 1.00 0.75 H new ATOM 0 HA GLU B 6 -4.757 2.982 6.938 1.00 0.78 H new ATOM 0 HB2 GLU B 6 -6.818 1.532 6.768 1.00 0.86 H new ATOM 0 HB3 GLU B 6 -6.982 1.641 8.509 1.00 0.86 H new ATOM 0 HG2 GLU B 6 -7.121 4.171 8.267 1.00 1.48 H new ATOM 0 HG3 GLU B 6 -7.137 3.954 6.528 1.00 1.48 H new ATOM 1594 N LYS B 7 -4.572 2.393 10.210 1.00 0.83 N ATOM 1595 CA LYS B 7 -4.102 3.053 11.443 1.00 0.92 C ATOM 1596 C LYS B 7 -2.637 3.501 11.327 1.00 0.88 C ATOM 1597 O LYS B 7 -2.263 4.523 11.912 1.00 1.04 O ATOM 1598 CB LYS B 7 -4.305 2.177 12.698 1.00 1.05 C ATOM 1599 CG LYS B 7 -5.686 1.530 12.898 1.00 1.44 C ATOM 1600 CD LYS B 7 -6.922 2.397 12.610 1.00 2.27 C ATOM 1601 CE LYS B 7 -7.129 3.474 13.683 1.00 2.94 C ATOM 1602 NZ LYS B 7 -8.492 4.054 13.611 1.00 3.95 N ATOM 0 H LYS B 7 -4.767 1.397 10.310 1.00 0.83 H new ATOM 0 HA LYS B 7 -4.721 3.942 11.564 1.00 0.92 H new ATOM 0 HB2 LYS B 7 -3.561 1.381 12.676 1.00 1.05 H new ATOM 0 HB3 LYS B 7 -4.091 2.790 13.574 1.00 1.05 H new ATOM 0 HG2 LYS B 7 -5.739 0.646 12.262 1.00 1.44 H new ATOM 0 HG3 LYS B 7 -5.750 1.185 13.930 1.00 1.44 H new ATOM 0 HD2 LYS B 7 -6.813 2.872 11.635 1.00 2.27 H new ATOM 0 HD3 LYS B 7 -7.806 1.762 12.558 1.00 2.27 H new ATOM 0 HE2 LYS B 7 -6.967 3.042 14.671 1.00 2.94 H new ATOM 0 HE3 LYS B 7 -6.389 4.264 13.556 1.00 2.94 H new ATOM 0 HZ1 LYS B 7 -8.432 5.044 13.299 1.00 3.95 H new ATOM 0 HZ2 LYS B 7 -9.065 3.511 12.933 1.00 3.95 H new ATOM 0 HZ3 LYS B 7 -8.936 4.014 14.550 1.00 3.95 H new ATOM 1616 N ALA B 8 -1.817 2.795 10.535 1.00 0.79 N ATOM 1617 CA ALA B 8 -0.458 3.220 10.218 1.00 0.78 C ATOM 1618 C ALA B 8 -0.455 4.480 9.340 1.00 0.61 C ATOM 1619 O ALA B 8 0.170 5.463 9.735 1.00 0.61 O ATOM 1620 CB ALA B 8 0.326 2.063 9.593 1.00 0.95 C ATOM 0 H ALA B 8 -2.084 1.913 10.099 1.00 0.79 H new ATOM 0 HA ALA B 8 0.049 3.495 11.143 1.00 0.78 H new ATOM 0 HB1 ALA B 8 1.339 2.393 9.361 1.00 0.95 H new ATOM 0 HB2 ALA B 8 0.368 1.230 10.295 1.00 0.95 H new ATOM 0 HB3 ALA B 8 -0.169 1.741 8.677 1.00 0.95 H new ATOM 1626 N LEU B 9 -1.213 4.520 8.234 1.00 0.56 N ATOM 1627 CA LEU B 9 -1.358 5.733 7.414 1.00 0.55 C ATOM 1628 C LEU B 9 -1.889 6.892 8.263 1.00 0.56 C ATOM 1629 O LEU B 9 -1.251 7.943 8.304 1.00 0.66 O ATOM 1630 CB LEU B 9 -2.279 5.496 6.198 1.00 0.55 C ATOM 1631 CG LEU B 9 -1.633 4.877 4.941 1.00 0.53 C ATOM 1632 CD1 LEU B 9 -0.438 5.702 4.440 1.00 0.68 C ATOM 1633 CD2 LEU B 9 -1.224 3.420 5.163 1.00 0.60 C ATOM 0 H LEU B 9 -1.739 3.719 7.884 1.00 0.56 H new ATOM 0 HA LEU B 9 -0.369 5.992 7.035 1.00 0.55 H new ATOM 0 HB2 LEU B 9 -3.096 4.847 6.513 1.00 0.55 H new ATOM 0 HB3 LEU B 9 -2.721 6.452 5.916 1.00 0.55 H new ATOM 0 HG LEU B 9 -2.399 4.895 4.166 1.00 0.53 H new ATOM 0 HD11 LEU B 9 -0.015 5.229 3.554 1.00 0.68 H new ATOM 0 HD12 LEU B 9 -0.771 6.709 4.189 1.00 0.68 H new ATOM 0 HD13 LEU B 9 0.321 5.754 5.221 1.00 0.68 H new ATOM 0 HD21 LEU B 9 -0.774 3.026 4.252 1.00 0.60 H new ATOM 0 HD22 LEU B 9 -0.502 3.365 5.978 1.00 0.60 H new ATOM 0 HD23 LEU B 9 -2.104 2.830 5.418 1.00 0.60 H new ATOM 1645 N THR B 10 -2.985 6.663 9.000 1.00 0.57 N ATOM 1646 CA THR B 10 -3.621 7.641 9.895 1.00 0.61 C ATOM 1647 C THR B 10 -2.617 8.225 10.873 1.00 0.55 C ATOM 1648 O THR B 10 -2.534 9.444 10.989 1.00 0.61 O ATOM 1649 CB THR B 10 -4.790 7.008 10.660 1.00 0.73 C ATOM 1650 OG1 THR B 10 -5.715 6.491 9.737 1.00 1.16 O ATOM 1651 CG2 THR B 10 -5.515 8.028 11.534 1.00 1.19 C ATOM 0 H THR B 10 -3.468 5.765 8.990 1.00 0.57 H new ATOM 0 HA THR B 10 -4.007 8.448 9.273 1.00 0.61 H new ATOM 0 HB THR B 10 -4.383 6.225 11.300 1.00 0.73 H new ATOM 0 HG1 THR B 10 -5.496 5.556 9.544 1.00 1.16 H new ATOM 0 HG21 THR B 10 -6.336 7.539 12.059 1.00 1.19 H new ATOM 0 HG22 THR B 10 -4.818 8.446 12.260 1.00 1.19 H new ATOM 0 HG23 THR B 10 -5.910 8.828 10.908 1.00 1.19 H new ATOM 1659 N THR B 11 -1.825 7.384 11.545 1.00 0.51 N ATOM 1660 CA THR B 11 -0.814 7.835 12.519 1.00 0.53 C ATOM 1661 C THR B 11 0.252 8.674 11.831 1.00 0.54 C ATOM 1662 O THR B 11 0.556 9.771 12.296 1.00 0.56 O ATOM 1663 CB THR B 11 -0.201 6.639 13.252 1.00 0.72 C ATOM 1664 OG1 THR B 11 -1.224 5.995 13.967 1.00 0.94 O ATOM 1665 CG2 THR B 11 0.882 7.049 14.253 1.00 0.80 C ATOM 0 H THR B 11 -1.863 6.371 11.433 1.00 0.51 H new ATOM 0 HA THR B 11 -1.302 8.464 13.264 1.00 0.53 H new ATOM 0 HB THR B 11 0.259 5.993 12.504 1.00 0.72 H new ATOM 0 HG1 THR B 11 -1.722 5.404 13.365 1.00 0.94 H new ATOM 0 HG21 THR B 11 1.280 6.160 14.742 1.00 0.80 H new ATOM 0 HG22 THR B 11 1.686 7.565 13.728 1.00 0.80 H new ATOM 0 HG23 THR B 11 0.452 7.714 15.002 1.00 0.80 H new ATOM 1673 N MET B 12 0.758 8.213 10.685 1.00 0.65 N ATOM 1674 CA MET B 12 1.762 8.907 9.886 1.00 0.86 C ATOM 1675 C MET B 12 1.261 10.278 9.397 1.00 0.92 C ATOM 1676 O MET B 12 1.915 11.290 9.644 1.00 1.03 O ATOM 1677 CB MET B 12 2.150 7.944 8.753 1.00 1.09 C ATOM 1678 CG MET B 12 3.330 8.452 7.937 1.00 1.29 C ATOM 1679 SD MET B 12 3.706 7.435 6.483 1.00 1.37 S ATOM 1680 CE MET B 12 4.525 6.018 7.263 1.00 0.80 C ATOM 0 H MET B 12 0.471 7.322 10.279 1.00 0.65 H new ATOM 0 HA MET B 12 2.646 9.153 10.475 1.00 0.86 H new ATOM 0 HB2 MET B 12 2.397 6.970 9.176 1.00 1.09 H new ATOM 0 HB3 MET B 12 1.293 7.798 8.095 1.00 1.09 H new ATOM 0 HG2 MET B 12 3.123 9.472 7.612 1.00 1.29 H new ATOM 0 HG3 MET B 12 4.211 8.494 8.577 1.00 1.29 H new ATOM 0 HE1 MET B 12 4.897 5.343 6.492 1.00 0.80 H new ATOM 0 HE2 MET B 12 5.359 6.369 7.871 1.00 0.80 H new ATOM 0 HE3 MET B 12 3.812 5.489 7.896 1.00 0.80 H new ATOM 1690 N VAL B 13 0.083 10.337 8.764 1.00 0.94 N ATOM 1691 CA VAL B 13 -0.499 11.592 8.255 1.00 1.13 C ATOM 1692 C VAL B 13 -0.873 12.557 9.384 1.00 1.05 C ATOM 1693 O VAL B 13 -0.727 13.761 9.191 1.00 1.19 O ATOM 1694 CB VAL B 13 -1.701 11.409 7.286 1.00 1.30 C ATOM 1695 CG1 VAL B 13 -1.285 10.605 6.042 1.00 1.45 C ATOM 1696 CG2 VAL B 13 -2.966 10.829 7.924 1.00 1.17 C ATOM 0 H VAL B 13 -0.497 9.516 8.588 1.00 0.94 H new ATOM 0 HA VAL B 13 0.304 12.030 7.662 1.00 1.13 H new ATOM 0 HB VAL B 13 -1.981 12.419 6.988 1.00 1.30 H new ATOM 0 HG11 VAL B 13 -2.143 10.490 5.379 1.00 1.45 H new ATOM 0 HG12 VAL B 13 -0.489 11.133 5.517 1.00 1.45 H new ATOM 0 HG13 VAL B 13 -0.928 9.621 6.347 1.00 1.45 H new ATOM 0 HG21 VAL B 13 -3.746 10.740 7.168 1.00 1.17 H new ATOM 0 HG22 VAL B 13 -2.747 9.844 8.337 1.00 1.17 H new ATOM 0 HG23 VAL B 13 -3.307 11.489 8.721 1.00 1.17 H new ATOM 1706 N THR B 14 -1.295 12.067 10.560 1.00 0.87 N ATOM 1707 CA THR B 14 -1.644 12.926 11.709 1.00 0.90 C ATOM 1708 C THR B 14 -0.397 13.567 12.309 1.00 0.78 C ATOM 1709 O THR B 14 -0.376 14.775 12.536 1.00 1.07 O ATOM 1710 CB THR B 14 -2.413 12.138 12.774 1.00 0.91 C ATOM 1711 OG1 THR B 14 -3.564 11.608 12.171 1.00 1.28 O ATOM 1712 CG2 THR B 14 -2.886 13.019 13.931 1.00 1.27 C ATOM 0 H THR B 14 -1.405 11.070 10.744 1.00 0.87 H new ATOM 0 HA THR B 14 -2.294 13.721 11.344 1.00 0.90 H new ATOM 0 HB THR B 14 -1.742 11.375 13.168 1.00 0.91 H new ATOM 0 HG1 THR B 14 -3.310 10.886 11.559 1.00 1.28 H new ATOM 0 HG21 THR B 14 -3.425 12.409 14.656 1.00 1.27 H new ATOM 0 HG22 THR B 14 -2.024 13.480 14.414 1.00 1.27 H new ATOM 0 HG23 THR B 14 -3.547 13.797 13.549 1.00 1.27 H new ATOM 1720 N THR B 15 0.657 12.768 12.491 1.00 0.58 N ATOM 1721 CA THR B 15 1.950 13.195 13.044 1.00 0.67 C ATOM 1722 C THR B 15 2.646 14.228 12.153 1.00 0.85 C ATOM 1723 O THR B 15 3.298 15.130 12.669 1.00 1.22 O ATOM 1724 CB THR B 15 2.821 11.958 13.267 1.00 0.80 C ATOM 1725 OG1 THR B 15 2.113 11.025 14.050 1.00 2.03 O ATOM 1726 CG2 THR B 15 4.083 12.275 14.050 1.00 1.29 C ATOM 0 H THR B 15 0.637 11.777 12.252 1.00 0.58 H new ATOM 0 HA THR B 15 1.781 13.694 13.998 1.00 0.67 H new ATOM 0 HB THR B 15 3.079 11.578 12.278 1.00 0.80 H new ATOM 0 HG1 THR B 15 1.679 10.370 13.465 1.00 2.03 H new ATOM 0 HG21 THR B 15 4.668 11.365 14.182 1.00 1.29 H new ATOM 0 HG22 THR B 15 4.675 13.010 13.504 1.00 1.29 H new ATOM 0 HG23 THR B 15 3.814 12.678 15.026 1.00 1.29 H new ATOM 1734 N PHE B 16 2.435 14.133 10.834 1.00 0.71 N ATOM 1735 CA PHE B 16 2.813 15.130 9.825 1.00 0.78 C ATOM 1736 C PHE B 16 1.945 16.399 9.917 1.00 0.76 C ATOM 1737 O PHE B 16 2.482 17.489 10.105 1.00 0.97 O ATOM 1738 CB PHE B 16 2.703 14.431 8.458 1.00 0.84 C ATOM 1739 CG PHE B 16 2.996 15.251 7.212 1.00 0.82 C ATOM 1740 CD1 PHE B 16 1.949 15.917 6.553 1.00 1.39 C ATOM 1741 CD2 PHE B 16 4.285 15.255 6.641 1.00 2.01 C ATOM 1742 CE1 PHE B 16 2.184 16.576 5.335 1.00 1.42 C ATOM 1743 CE2 PHE B 16 4.514 15.897 5.409 1.00 1.99 C ATOM 1744 CZ PHE B 16 3.462 16.558 4.748 1.00 0.82 C ATOM 0 H PHE B 16 1.975 13.321 10.422 1.00 0.71 H new ATOM 0 HA PHE B 16 3.832 15.483 9.986 1.00 0.78 H new ATOM 0 HB2 PHE B 16 3.381 13.578 8.464 1.00 0.84 H new ATOM 0 HB3 PHE B 16 1.692 14.034 8.366 1.00 0.84 H new ATOM 0 HD1 PHE B 16 0.959 15.922 6.985 1.00 1.39 H new ATOM 0 HD2 PHE B 16 5.100 14.763 7.151 1.00 2.01 H new ATOM 0 HE1 PHE B 16 1.377 17.101 4.845 1.00 1.42 H new ATOM 0 HE2 PHE B 16 5.500 15.882 4.970 1.00 1.99 H new ATOM 0 HZ PHE B 16 3.634 17.046 3.800 1.00 0.82 H new ATOM 1754 N HIS B 17 0.611 16.253 9.857 1.00 0.69 N ATOM 1755 CA HIS B 17 -0.362 17.362 9.858 1.00 0.72 C ATOM 1756 C HIS B 17 -0.208 18.322 11.054 1.00 0.64 C ATOM 1757 O HIS B 17 -0.472 19.514 10.906 1.00 0.84 O ATOM 1758 CB HIS B 17 -1.802 16.817 9.825 1.00 0.84 C ATOM 1759 CG HIS B 17 -2.365 16.638 8.434 1.00 2.47 C ATOM 1760 ND1 HIS B 17 -2.109 15.608 7.563 1.00 4.91 N ATOM 1761 CD2 HIS B 17 -3.261 17.467 7.816 1.00 2.14 C ATOM 1762 CE1 HIS B 17 -2.822 15.820 6.443 1.00 5.86 C ATOM 1763 NE2 HIS B 17 -3.539 16.950 6.548 1.00 4.20 N ATOM 0 H HIS B 17 0.166 15.337 9.805 1.00 0.69 H new ATOM 0 HA HIS B 17 -0.152 17.939 8.957 1.00 0.72 H new ATOM 0 HB2 HIS B 17 -1.827 15.857 10.341 1.00 0.84 H new ATOM 0 HB3 HIS B 17 -2.448 17.496 10.382 1.00 0.84 H new ATOM 0 HD1 HIS B 17 -1.486 14.819 7.736 1.00 4.91 H new ATOM 0 HD2 HIS B 17 -3.682 18.368 8.237 1.00 2.14 H new ATOM 0 HE1 HIS B 17 -2.818 15.172 5.579 1.00 5.86 H new ATOM 1772 N LYS B 18 0.275 17.837 12.204 1.00 0.58 N ATOM 1773 CA LYS B 18 0.710 18.648 13.350 1.00 0.66 C ATOM 1774 C LYS B 18 1.545 19.877 12.929 1.00 0.74 C ATOM 1775 O LYS B 18 1.422 20.948 13.519 1.00 1.13 O ATOM 1776 CB LYS B 18 1.493 17.691 14.278 1.00 0.73 C ATOM 1777 CG LYS B 18 1.979 18.235 15.635 1.00 1.40 C ATOM 1778 CD LYS B 18 3.091 19.294 15.527 1.00 2.75 C ATOM 1779 CE LYS B 18 4.219 19.081 16.541 1.00 3.81 C ATOM 1780 NZ LYS B 18 5.314 20.056 16.319 1.00 5.36 N ATOM 0 H LYS B 18 0.378 16.836 12.369 1.00 0.58 H new ATOM 0 HA LYS B 18 -0.149 19.077 13.867 1.00 0.66 H new ATOM 0 HB2 LYS B 18 0.862 16.824 14.473 1.00 0.73 H new ATOM 0 HB3 LYS B 18 2.365 17.334 13.730 1.00 0.73 H new ATOM 0 HG2 LYS B 18 1.131 18.668 16.166 1.00 1.40 H new ATOM 0 HG3 LYS B 18 2.342 17.403 16.239 1.00 1.40 H new ATOM 0 HD2 LYS B 18 3.507 19.275 14.520 1.00 2.75 H new ATOM 0 HD3 LYS B 18 2.659 20.284 15.675 1.00 2.75 H new ATOM 0 HE2 LYS B 18 3.830 19.188 17.553 1.00 3.81 H new ATOM 0 HE3 LYS B 18 4.606 18.066 16.454 1.00 3.81 H new ATOM 0 HZ1 LYS B 18 5.910 20.108 17.170 1.00 5.36 H new ATOM 0 HZ2 LYS B 18 5.892 19.751 15.510 1.00 5.36 H new ATOM 0 HZ3 LYS B 18 4.909 20.994 16.122 1.00 5.36 H new ATOM 1794 N TYR B 19 2.445 19.718 11.955 1.00 0.59 N ATOM 1795 CA TYR B 19 3.317 20.772 11.428 1.00 0.73 C ATOM 1796 C TYR B 19 2.694 21.478 10.218 1.00 0.94 C ATOM 1797 O TYR B 19 2.805 22.689 10.094 1.00 1.63 O ATOM 1798 CB TYR B 19 4.660 20.135 11.040 1.00 0.77 C ATOM 1799 CG TYR B 19 5.468 19.554 12.189 1.00 0.76 C ATOM 1800 CD1 TYR B 19 5.165 18.272 12.685 1.00 1.67 C ATOM 1801 CD2 TYR B 19 6.549 20.273 12.746 1.00 2.21 C ATOM 1802 CE1 TYR B 19 5.917 17.714 13.733 1.00 1.69 C ATOM 1803 CE2 TYR B 19 7.332 19.701 13.769 1.00 2.38 C ATOM 1804 CZ TYR B 19 7.017 18.417 14.260 1.00 1.17 C ATOM 1805 OH TYR B 19 7.744 17.876 15.272 1.00 1.47 O ATOM 0 H TYR B 19 2.592 18.820 11.495 1.00 0.59 H new ATOM 0 HA TYR B 19 3.460 21.531 12.197 1.00 0.73 H new ATOM 0 HB2 TYR B 19 4.470 19.343 10.316 1.00 0.77 H new ATOM 0 HB3 TYR B 19 5.267 20.888 10.537 1.00 0.77 H new ATOM 0 HD1 TYR B 19 4.347 17.712 12.256 1.00 1.67 H new ATOM 0 HD2 TYR B 19 6.777 21.266 12.386 1.00 2.21 H new ATOM 0 HE1 TYR B 19 5.651 16.747 14.134 1.00 1.69 H new ATOM 0 HE2 TYR B 19 8.172 20.245 14.176 1.00 2.38 H new ATOM 0 HH TYR B 19 8.468 18.489 15.518 1.00 1.47 H new ATOM 1815 N SER B 20 1.980 20.754 9.362 1.00 0.72 N ATOM 1816 CA SER B 20 1.518 21.206 8.044 1.00 0.67 C ATOM 1817 C SER B 20 0.532 22.387 8.028 1.00 0.94 C ATOM 1818 O SER B 20 0.267 22.948 6.964 1.00 1.70 O ATOM 1819 CB SER B 20 0.864 20.008 7.373 1.00 0.84 C ATOM 1820 OG SER B 20 1.727 18.882 7.386 1.00 1.68 O ATOM 0 H SER B 20 1.693 19.798 9.571 1.00 0.72 H new ATOM 0 HA SER B 20 2.397 21.587 7.525 1.00 0.67 H new ATOM 0 HB2 SER B 20 -0.066 19.763 7.885 1.00 0.84 H new ATOM 0 HB3 SER B 20 0.605 20.260 6.345 1.00 0.84 H new ATOM 0 HG SER B 20 1.502 18.289 6.639 1.00 1.68 H new ATOM 1826 N GLY B 21 0.020 22.824 9.182 1.00 1.25 N ATOM 1827 CA GLY B 21 -0.745 24.067 9.325 1.00 1.95 C ATOM 1828 C GLY B 21 0.136 25.309 9.190 1.00 2.73 C ATOM 1829 O GLY B 21 0.245 26.076 10.147 1.00 3.37 O ATOM 0 H GLY B 21 0.127 22.315 10.059 1.00 1.25 H new ATOM 0 HA2 GLY B 21 -1.530 24.097 8.569 1.00 1.95 H new ATOM 0 HA3 GLY B 21 -1.238 24.078 10.297 1.00 1.95 H new ATOM 1832 N ARG B 22 0.808 25.478 8.041 1.00 3.26 N ATOM 1833 CA ARG B 22 1.515 26.691 7.615 1.00 4.22 C ATOM 1834 C ARG B 22 0.636 27.399 6.570 1.00 4.22 C ATOM 1835 O ARG B 22 -0.122 28.296 6.923 1.00 4.47 O ATOM 1836 CB ARG B 22 2.926 26.350 7.065 1.00 5.17 C ATOM 1837 CG ARG B 22 4.098 26.479 8.058 1.00 5.27 C ATOM 1838 CD ARG B 22 4.177 25.434 9.178 1.00 3.96 C ATOM 1839 NE ARG B 22 3.159 25.667 10.215 1.00 3.36 N ATOM 1840 CZ ARG B 22 3.214 25.289 11.480 1.00 3.37 C ATOM 1841 NH1 ARG B 22 4.263 24.690 11.997 1.00 3.50 N ATOM 1842 NH2 ARG B 22 2.164 25.517 12.238 1.00 4.67 N ATOM 0 H ARG B 22 0.875 24.732 7.349 1.00 3.26 H new ATOM 0 HA ARG B 22 1.679 27.358 8.461 1.00 4.22 H new ATOM 0 HB2 ARG B 22 2.908 25.327 6.689 1.00 5.17 H new ATOM 0 HB3 ARG B 22 3.127 27.000 6.213 1.00 5.17 H new ATOM 0 HG2 ARG B 22 5.028 26.440 7.491 1.00 5.27 H new ATOM 0 HG3 ARG B 22 4.046 27.466 8.518 1.00 5.27 H new ATOM 0 HD2 ARG B 22 4.045 24.438 8.756 1.00 3.96 H new ATOM 0 HD3 ARG B 22 5.169 25.459 9.630 1.00 3.96 H new ATOM 0 HE ARG B 22 2.322 26.174 9.927 1.00 3.36 H new ATOM 0 HH11 ARG B 22 5.079 24.499 11.416 1.00 3.50 H new ATOM 0 HH12 ARG B 22 4.261 24.416 12.979 1.00 3.50 H new ATOM 0 HH21 ARG B 22 1.341 25.973 11.845 1.00 4.67 H new ATOM 0 HH22 ARG B 22 2.173 25.238 13.219 1.00 4.67 H new ATOM 1856 N GLU B 23 0.715 26.974 5.305 1.00 4.20 N ATOM 1857 CA GLU B 23 0.172 27.656 4.127 1.00 4.51 C ATOM 1858 C GLU B 23 -0.061 26.641 2.991 1.00 4.49 C ATOM 1859 O GLU B 23 0.528 25.556 2.994 1.00 4.91 O ATOM 1860 CB GLU B 23 1.167 28.735 3.655 1.00 5.06 C ATOM 1861 CG GLU B 23 1.268 29.934 4.605 1.00 5.58 C ATOM 1862 CD GLU B 23 2.146 31.031 4.017 1.00 6.74 C ATOM 1863 OE1 GLU B 23 1.608 31.812 3.196 1.00 8.09 O ATOM 1864 OE2 GLU B 23 3.333 31.077 4.411 1.00 6.71 O ATOM 0 H GLU B 23 1.183 26.101 5.063 1.00 4.20 H new ATOM 0 HA GLU B 23 -0.778 28.122 4.390 1.00 4.51 H new ATOM 0 HB2 GLU B 23 2.154 28.285 3.546 1.00 5.06 H new ATOM 0 HB3 GLU B 23 0.866 29.088 2.668 1.00 5.06 H new ATOM 0 HG2 GLU B 23 0.272 30.329 4.803 1.00 5.58 H new ATOM 0 HG3 GLU B 23 1.678 29.610 5.561 1.00 5.58 H new ATOM 1871 N GLY B 24 -0.919 26.978 2.018 1.00 4.65 N ATOM 1872 CA GLY B 24 -1.127 26.229 0.764 1.00 4.88 C ATOM 1873 C GLY B 24 -1.943 24.931 0.881 1.00 4.09 C ATOM 1874 O GLY B 24 -2.912 24.735 0.141 1.00 4.79 O ATOM 0 H GLY B 24 -1.509 27.808 2.081 1.00 4.65 H new ATOM 0 HA2 GLY B 24 -1.626 26.885 0.051 1.00 4.88 H new ATOM 0 HA3 GLY B 24 -0.151 25.985 0.344 1.00 4.88 H new ATOM 1877 N SER B 25 -1.557 24.040 1.790 1.00 3.01 N ATOM 1878 CA SER B 25 -2.155 22.715 1.987 1.00 2.50 C ATOM 1879 C SER B 25 -1.586 22.055 3.243 1.00 1.81 C ATOM 1880 O SER B 25 -0.365 22.004 3.413 1.00 2.09 O ATOM 1881 CB SER B 25 -1.854 21.802 0.790 1.00 3.34 C ATOM 1882 OG SER B 25 -2.390 20.508 1.001 1.00 4.50 O ATOM 0 H SER B 25 -0.790 24.224 2.436 1.00 3.01 H new ATOM 0 HA SER B 25 -3.232 22.851 2.089 1.00 2.50 H new ATOM 0 HB2 SER B 25 -2.277 22.233 -0.118 1.00 3.34 H new ATOM 0 HB3 SER B 25 -0.777 21.735 0.639 1.00 3.34 H new ATOM 0 HG SER B 25 -3.366 20.540 0.914 1.00 4.50 H new ATOM 1888 N LYS B 26 -2.437 21.449 4.076 1.00 1.39 N ATOM 1889 CA LYS B 26 -1.982 20.671 5.233 1.00 1.23 C ATOM 1890 C LYS B 26 -1.461 19.268 4.828 1.00 1.21 C ATOM 1891 O LYS B 26 -0.986 18.503 5.663 1.00 1.54 O ATOM 1892 CB LYS B 26 -3.074 20.679 6.318 1.00 1.44 C ATOM 1893 CG LYS B 26 -3.324 22.114 6.822 1.00 1.86 C ATOM 1894 CD LYS B 26 -4.415 22.268 7.894 1.00 2.37 C ATOM 1895 CE LYS B 26 -5.783 21.675 7.525 1.00 2.35 C ATOM 1896 NZ LYS B 26 -6.287 22.164 6.220 1.00 2.30 N ATOM 0 H LYS B 26 -3.451 21.483 3.970 1.00 1.39 H new ATOM 0 HA LYS B 26 -1.106 21.144 5.676 1.00 1.23 H new ATOM 0 HB2 LYS B 26 -3.998 20.262 5.916 1.00 1.44 H new ATOM 0 HB3 LYS B 26 -2.773 20.042 7.150 1.00 1.44 H new ATOM 0 HG2 LYS B 26 -2.389 22.505 7.224 1.00 1.86 H new ATOM 0 HG3 LYS B 26 -3.590 22.737 5.968 1.00 1.86 H new ATOM 0 HD2 LYS B 26 -4.068 21.796 8.813 1.00 2.37 H new ATOM 0 HD3 LYS B 26 -4.543 23.329 8.110 1.00 2.37 H new ATOM 0 HE2 LYS B 26 -5.707 20.588 7.496 1.00 2.35 H new ATOM 0 HE3 LYS B 26 -6.504 21.923 8.304 1.00 2.35 H new ATOM 0 HZ1 LYS B 26 -7.277 21.870 6.098 1.00 2.30 H new ATOM 0 HZ2 LYS B 26 -6.228 23.202 6.192 1.00 2.30 H new ATOM 0 HZ3 LYS B 26 -5.710 21.763 5.453 1.00 2.30 H new ATOM 1910 N LEU B 27 -1.459 18.971 3.520 1.00 1.21 N ATOM 1911 CA LEU B 27 -0.685 17.886 2.905 1.00 1.25 C ATOM 1912 C LEU B 27 0.776 18.290 2.620 1.00 1.01 C ATOM 1913 O LEU B 27 1.551 17.438 2.190 1.00 1.07 O ATOM 1914 CB LEU B 27 -1.376 17.406 1.614 1.00 1.65 C ATOM 1915 CG LEU B 27 -2.886 17.118 1.716 1.00 1.99 C ATOM 1916 CD1 LEU B 27 -3.371 16.553 0.376 1.00 2.32 C ATOM 1917 CD2 LEU B 27 -3.225 16.135 2.841 1.00 2.81 C ATOM 0 H LEU B 27 -2.013 19.495 2.842 1.00 1.21 H new ATOM 0 HA LEU B 27 -0.651 17.066 3.623 1.00 1.25 H new ATOM 0 HB2 LEU B 27 -1.223 18.161 0.843 1.00 1.65 H new ATOM 0 HB3 LEU B 27 -0.876 16.498 1.275 1.00 1.65 H new ATOM 0 HG LEU B 27 -3.390 18.056 1.951 1.00 1.99 H new ATOM 0 HD11 LEU B 27 -4.439 16.344 0.434 1.00 2.32 H new ATOM 0 HD12 LEU B 27 -3.186 17.281 -0.414 1.00 2.32 H new ATOM 0 HD13 LEU B 27 -2.833 15.631 0.154 1.00 2.32 H new ATOM 0 HD21 LEU B 27 -4.302 15.969 2.867 1.00 2.81 H new ATOM 0 HD22 LEU B 27 -2.716 15.188 2.662 1.00 2.81 H new ATOM 0 HD23 LEU B 27 -2.899 16.548 3.796 1.00 2.81 H new ATOM 1929 N THR B 28 1.163 19.553 2.865 1.00 0.90 N ATOM 1930 CA THR B 28 2.543 20.058 2.720 1.00 0.78 C ATOM 1931 C THR B 28 3.056 20.733 3.997 1.00 0.81 C ATOM 1932 O THR B 28 2.276 21.037 4.892 1.00 0.98 O ATOM 1933 CB THR B 28 2.676 20.985 1.501 1.00 0.77 C ATOM 1934 OG1 THR B 28 1.907 22.154 1.651 1.00 0.89 O ATOM 1935 CG2 THR B 28 2.240 20.321 0.194 1.00 0.81 C ATOM 0 H THR B 28 0.510 20.271 3.178 1.00 0.90 H new ATOM 0 HA THR B 28 3.179 19.189 2.549 1.00 0.78 H new ATOM 0 HB THR B 28 3.738 21.224 1.449 1.00 0.77 H new ATOM 0 HG1 THR B 28 1.176 21.986 2.281 1.00 0.89 H new ATOM 0 HG21 THR B 28 2.357 21.026 -0.629 1.00 0.81 H new ATOM 0 HG22 THR B 28 2.857 19.442 0.009 1.00 0.81 H new ATOM 0 HG23 THR B 28 1.195 20.022 0.269 1.00 0.81 H new ATOM 1943 N LEU B 29 4.370 20.971 4.078 1.00 0.73 N ATOM 1944 CA LEU B 29 5.083 21.664 5.174 1.00 0.78 C ATOM 1945 C LEU B 29 6.451 22.172 4.659 1.00 0.78 C ATOM 1946 O LEU B 29 6.777 21.899 3.509 1.00 0.86 O ATOM 1947 CB LEU B 29 5.148 20.759 6.433 1.00 0.75 C ATOM 1948 CG LEU B 29 6.312 19.748 6.534 1.00 0.66 C ATOM 1949 CD1 LEU B 29 6.130 18.866 7.775 1.00 0.80 C ATOM 1950 CD2 LEU B 29 6.417 18.845 5.305 1.00 0.74 C ATOM 0 H LEU B 29 5.008 20.670 3.341 1.00 0.73 H new ATOM 0 HA LEU B 29 4.538 22.551 5.496 1.00 0.78 H new ATOM 0 HB2 LEU B 29 5.190 21.406 7.309 1.00 0.75 H new ATOM 0 HB3 LEU B 29 4.214 20.201 6.493 1.00 0.75 H new ATOM 0 HG LEU B 29 7.230 20.332 6.603 1.00 0.66 H new ATOM 0 HD11 LEU B 29 6.954 18.155 7.840 1.00 0.80 H new ATOM 0 HD12 LEU B 29 6.119 19.492 8.668 1.00 0.80 H new ATOM 0 HD13 LEU B 29 5.188 18.323 7.701 1.00 0.80 H new ATOM 0 HD21 LEU B 29 7.251 18.155 5.431 1.00 0.74 H new ATOM 0 HD22 LEU B 29 5.493 18.279 5.189 1.00 0.74 H new ATOM 0 HD23 LEU B 29 6.582 19.456 4.418 1.00 0.74 H new ATOM 1962 N SER B 30 7.262 22.892 5.441 1.00 0.84 N ATOM 1963 CA SER B 30 8.620 23.279 4.957 1.00 0.82 C ATOM 1964 C SER B 30 9.575 22.064 4.831 1.00 0.66 C ATOM 1965 O SER B 30 9.419 21.065 5.534 1.00 0.73 O ATOM 1966 CB SER B 30 9.208 24.434 5.800 1.00 1.06 C ATOM 1967 OG SER B 30 10.559 24.243 6.202 1.00 1.84 O ATOM 0 H SER B 30 7.028 23.216 6.380 1.00 0.84 H new ATOM 0 HA SER B 30 8.509 23.660 3.942 1.00 0.82 H new ATOM 0 HB2 SER B 30 9.141 25.357 5.225 1.00 1.06 H new ATOM 0 HB3 SER B 30 8.593 24.567 6.690 1.00 1.06 H new ATOM 0 HG SER B 30 11.057 25.079 6.083 1.00 1.84 H new ATOM 1973 N ARG B 31 10.615 22.124 3.987 1.00 0.72 N ATOM 1974 CA ARG B 31 11.639 21.066 3.868 1.00 0.75 C ATOM 1975 C ARG B 31 12.632 21.018 5.059 1.00 0.76 C ATOM 1976 O ARG B 31 13.161 19.957 5.399 1.00 0.92 O ATOM 1977 CB ARG B 31 12.287 21.194 2.479 1.00 1.13 C ATOM 1978 CG ARG B 31 13.485 20.266 2.216 1.00 1.59 C ATOM 1979 CD ARG B 31 13.694 20.054 0.703 1.00 1.33 C ATOM 1980 NE ARG B 31 14.302 18.750 0.321 1.00 1.97 N ATOM 1981 CZ ARG B 31 13.697 17.787 -0.381 1.00 2.20 C ATOM 1982 NH1 ARG B 31 12.533 17.990 -0.949 1.00 2.33 N ATOM 1983 NH2 ARG B 31 14.221 16.589 -0.540 1.00 2.96 N ATOM 0 H ARG B 31 10.774 22.913 3.361 1.00 0.72 H new ATOM 0 HA ARG B 31 11.169 20.085 3.938 1.00 0.75 H new ATOM 0 HB2 ARG B 31 11.526 20.998 1.724 1.00 1.13 H new ATOM 0 HB3 ARG B 31 12.613 22.225 2.344 1.00 1.13 H new ATOM 0 HG2 ARG B 31 14.386 20.695 2.655 1.00 1.59 H new ATOM 0 HG3 ARG B 31 13.320 19.305 2.703 1.00 1.59 H new ATOM 0 HD2 ARG B 31 12.730 20.147 0.203 1.00 1.33 H new ATOM 0 HD3 ARG B 31 14.328 20.856 0.325 1.00 1.33 H new ATOM 0 HE ARG B 31 15.262 18.577 0.620 1.00 1.97 H new ATOM 0 HH11 ARG B 31 12.073 18.896 -0.859 1.00 2.33 H new ATOM 0 HH12 ARG B 31 12.088 17.242 -1.481 1.00 2.33 H new ATOM 0 HH21 ARG B 31 15.123 16.367 -0.119 1.00 2.96 H new ATOM 0 HH22 ARG B 31 13.725 15.883 -1.084 1.00 2.96 H new ATOM 1997 N LYS B 32 12.851 22.123 5.773 1.00 0.81 N ATOM 1998 CA LYS B 32 13.555 22.206 7.057 1.00 1.01 C ATOM 1999 C LYS B 32 12.629 21.792 8.204 1.00 0.89 C ATOM 2000 O LYS B 32 13.079 21.135 9.139 1.00 0.95 O ATOM 2001 CB LYS B 32 14.109 23.625 7.263 1.00 1.35 C ATOM 2002 CG LYS B 32 15.620 23.570 7.534 1.00 2.13 C ATOM 2003 CD LYS B 32 16.145 24.965 7.880 1.00 2.47 C ATOM 2004 CE LYS B 32 17.679 24.999 7.996 1.00 3.82 C ATOM 2005 NZ LYS B 32 18.334 25.158 6.679 1.00 4.91 N ATOM 0 H LYS B 32 12.525 23.035 5.455 1.00 0.81 H new ATOM 0 HA LYS B 32 14.397 21.513 7.048 1.00 1.01 H new ATOM 0 HB2 LYS B 32 13.912 24.232 6.379 1.00 1.35 H new ATOM 0 HB3 LYS B 32 13.599 24.105 8.099 1.00 1.35 H new ATOM 0 HG2 LYS B 32 15.825 22.882 8.354 1.00 2.13 H new ATOM 0 HG3 LYS B 32 16.140 23.185 6.657 1.00 2.13 H new ATOM 0 HD2 LYS B 32 15.825 25.672 7.114 1.00 2.47 H new ATOM 0 HD3 LYS B 32 15.704 25.294 8.821 1.00 2.47 H new ATOM 0 HE2 LYS B 32 17.974 25.820 8.649 1.00 3.82 H new ATOM 0 HE3 LYS B 32 18.027 24.078 8.465 1.00 3.82 H new ATOM 0 HZ1 LYS B 32 19.277 24.721 6.705 1.00 4.91 H new ATOM 0 HZ2 LYS B 32 17.758 24.696 5.947 1.00 4.91 H new ATOM 0 HZ3 LYS B 32 18.428 26.170 6.458 1.00 4.91 H new ATOM 2019 N GLU B 33 11.338 22.093 8.079 1.00 0.84 N ATOM 2020 CA GLU B 33 10.305 21.591 8.976 1.00 0.80 C ATOM 2021 C GLU B 33 10.140 20.064 8.859 1.00 0.71 C ATOM 2022 O GLU B 33 10.055 19.400 9.885 1.00 0.72 O ATOM 2023 CB GLU B 33 9.010 22.351 8.695 1.00 0.97 C ATOM 2024 CG GLU B 33 7.918 22.026 9.705 1.00 1.07 C ATOM 2025 CD GLU B 33 6.744 22.986 9.554 1.00 2.10 C ATOM 2026 OE1 GLU B 33 6.383 23.316 8.403 1.00 3.74 O ATOM 2027 OE2 GLU B 33 6.223 23.404 10.615 1.00 2.68 O ATOM 0 H GLU B 33 10.978 22.700 7.342 1.00 0.84 H new ATOM 0 HA GLU B 33 10.596 21.768 10.011 1.00 0.80 H new ATOM 0 HB2 GLU B 33 9.209 23.422 8.711 1.00 0.97 H new ATOM 0 HB3 GLU B 33 8.659 22.107 7.692 1.00 0.97 H new ATOM 0 HG2 GLU B 33 7.577 21.001 9.562 1.00 1.07 H new ATOM 0 HG3 GLU B 33 8.320 22.091 10.716 1.00 1.07 H new ATOM 2034 N LEU B 34 10.214 19.484 7.651 1.00 0.67 N ATOM 2035 CA LEU B 34 10.318 18.036 7.436 1.00 0.69 C ATOM 2036 C LEU B 34 11.538 17.464 8.168 1.00 0.68 C ATOM 2037 O LEU B 34 11.406 16.479 8.892 1.00 0.65 O ATOM 2038 CB LEU B 34 10.343 17.763 5.916 1.00 0.74 C ATOM 2039 CG LEU B 34 10.389 16.288 5.445 1.00 0.89 C ATOM 2040 CD1 LEU B 34 11.775 15.664 5.496 1.00 2.87 C ATOM 2041 CD2 LEU B 34 9.348 15.404 6.130 1.00 2.18 C ATOM 0 H LEU B 34 10.203 20.019 6.783 1.00 0.67 H new ATOM 0 HA LEU B 34 9.452 17.525 7.857 1.00 0.69 H new ATOM 0 HB2 LEU B 34 9.459 18.226 5.478 1.00 0.74 H new ATOM 0 HB3 LEU B 34 11.210 18.274 5.499 1.00 0.74 H new ATOM 0 HG LEU B 34 10.120 16.337 4.390 1.00 0.89 H new ATOM 0 HD11 LEU B 34 11.722 14.631 5.151 1.00 2.87 H new ATOM 0 HD12 LEU B 34 12.452 16.227 4.853 1.00 2.87 H new ATOM 0 HD13 LEU B 34 12.146 15.685 6.521 1.00 2.87 H new ATOM 0 HD21 LEU B 34 9.434 14.384 5.755 1.00 2.18 H new ATOM 0 HD22 LEU B 34 9.517 15.411 7.207 1.00 2.18 H new ATOM 0 HD23 LEU B 34 8.350 15.786 5.917 1.00 2.18 H new ATOM 2053 N LYS B 35 12.716 18.095 8.047 1.00 0.75 N ATOM 2054 CA LYS B 35 13.904 17.697 8.818 1.00 0.77 C ATOM 2055 C LYS B 35 13.721 17.815 10.339 1.00 0.80 C ATOM 2056 O LYS B 35 14.320 17.053 11.093 1.00 0.86 O ATOM 2057 CB LYS B 35 15.100 18.557 8.373 1.00 0.86 C ATOM 2058 CG LYS B 35 16.425 17.940 8.857 1.00 1.69 C ATOM 2059 CD LYS B 35 17.165 18.832 9.858 1.00 1.59 C ATOM 2060 CE LYS B 35 17.778 20.000 9.083 1.00 1.90 C ATOM 2061 NZ LYS B 35 18.363 21.035 9.962 1.00 2.84 N ATOM 0 H LYS B 35 12.871 18.885 7.421 1.00 0.75 H new ATOM 0 HA LYS B 35 14.078 16.641 8.612 1.00 0.77 H new ATOM 0 HB2 LYS B 35 15.108 18.642 7.286 1.00 0.86 H new ATOM 0 HB3 LYS B 35 14.996 19.566 8.771 1.00 0.86 H new ATOM 0 HG2 LYS B 35 16.223 16.974 9.319 1.00 1.69 H new ATOM 0 HG3 LYS B 35 17.069 17.754 7.998 1.00 1.69 H new ATOM 0 HD2 LYS B 35 16.479 19.199 10.622 1.00 1.59 H new ATOM 0 HD3 LYS B 35 17.942 18.266 10.372 1.00 1.59 H new ATOM 0 HE2 LYS B 35 18.551 19.620 8.415 1.00 1.90 H new ATOM 0 HE3 LYS B 35 17.011 20.455 8.456 1.00 1.90 H new ATOM 0 HZ1 LYS B 35 18.879 21.729 9.385 1.00 2.84 H new ATOM 0 HZ2 LYS B 35 17.604 21.516 10.485 1.00 2.84 H new ATOM 0 HZ3 LYS B 35 19.018 20.589 10.635 1.00 2.84 H new ATOM 2075 N GLU B 36 12.936 18.788 10.790 1.00 0.82 N ATOM 2076 CA GLU B 36 12.612 18.962 12.194 1.00 0.89 C ATOM 2077 C GLU B 36 11.679 17.829 12.649 1.00 0.84 C ATOM 2078 O GLU B 36 11.986 17.151 13.621 1.00 0.95 O ATOM 2079 CB GLU B 36 12.007 20.363 12.401 1.00 1.00 C ATOM 2080 CG GLU B 36 11.962 20.731 13.880 1.00 1.21 C ATOM 2081 CD GLU B 36 13.275 21.296 14.442 1.00 2.04 C ATOM 2082 OE1 GLU B 36 14.354 21.046 13.862 1.00 3.28 O ATOM 2083 OE2 GLU B 36 13.210 21.840 15.568 1.00 2.68 O ATOM 0 H GLU B 36 12.504 19.483 10.181 1.00 0.82 H new ATOM 0 HA GLU B 36 13.507 18.901 12.813 1.00 0.89 H new ATOM 0 HB2 GLU B 36 12.597 21.101 11.858 1.00 1.00 H new ATOM 0 HB3 GLU B 36 11.000 20.392 11.985 1.00 1.00 H new ATOM 0 HG2 GLU B 36 11.171 21.465 14.034 1.00 1.21 H new ATOM 0 HG3 GLU B 36 11.689 19.845 14.453 1.00 1.21 H new ATOM 2090 N LEU B 37 10.590 17.578 11.911 1.00 0.74 N ATOM 2091 CA LEU B 37 9.571 16.565 12.190 1.00 0.72 C ATOM 2092 C LEU B 37 10.210 15.220 12.554 1.00 0.69 C ATOM 2093 O LEU B 37 10.028 14.769 13.683 1.00 0.82 O ATOM 2094 CB LEU B 37 8.610 16.524 10.975 1.00 0.69 C ATOM 2095 CG LEU B 37 7.698 15.291 10.787 1.00 0.72 C ATOM 2096 CD1 LEU B 37 6.709 15.065 11.932 1.00 1.05 C ATOM 2097 CD2 LEU B 37 6.890 15.478 9.491 1.00 1.11 C ATOM 0 H LEU B 37 10.388 18.104 11.061 1.00 0.74 H new ATOM 0 HA LEU B 37 8.982 16.818 13.071 1.00 0.72 H new ATOM 0 HB2 LEU B 37 7.968 17.403 11.032 1.00 0.69 H new ATOM 0 HB3 LEU B 37 9.214 16.628 10.073 1.00 0.69 H new ATOM 0 HG LEU B 37 8.354 14.421 10.756 1.00 0.72 H new ATOM 0 HD11 LEU B 37 6.107 14.181 11.723 1.00 1.05 H new ATOM 0 HD12 LEU B 37 7.257 14.919 12.863 1.00 1.05 H new ATOM 0 HD13 LEU B 37 6.058 15.934 12.027 1.00 1.05 H new ATOM 0 HD21 LEU B 37 6.239 14.617 9.340 1.00 1.11 H new ATOM 0 HD22 LEU B 37 6.285 16.381 9.567 1.00 1.11 H new ATOM 0 HD23 LEU B 37 7.573 15.569 8.646 1.00 1.11 H new ATOM 2109 N ILE B 38 11.030 14.662 11.658 1.00 0.61 N ATOM 2110 CA ILE B 38 11.695 13.337 11.784 1.00 0.67 C ATOM 2111 C ILE B 38 12.702 13.205 12.946 1.00 0.83 C ATOM 2112 O ILE B 38 13.222 12.120 13.205 1.00 1.34 O ATOM 2113 CB ILE B 38 12.354 12.941 10.442 1.00 0.68 C ATOM 2114 CG1 ILE B 38 13.450 13.952 10.041 1.00 2.45 C ATOM 2115 CG2 ILE B 38 11.267 12.751 9.364 1.00 2.55 C ATOM 2116 CD1 ILE B 38 14.158 13.618 8.730 1.00 2.43 C ATOM 0 H ILE B 38 11.266 15.132 10.784 1.00 0.61 H new ATOM 0 HA ILE B 38 10.895 12.641 12.037 1.00 0.67 H new ATOM 0 HB ILE B 38 12.865 11.985 10.552 1.00 0.68 H new ATOM 0 HG12 ILE B 38 13.002 14.942 9.957 1.00 2.45 H new ATOM 0 HG13 ILE B 38 14.191 14.003 10.839 1.00 2.45 H new ATOM 0 HG21 ILE B 38 11.735 12.472 8.420 1.00 2.55 H new ATOM 0 HG22 ILE B 38 10.580 11.964 9.675 1.00 2.55 H new ATOM 0 HG23 ILE B 38 10.716 13.683 9.234 1.00 2.55 H new ATOM 0 HD11 ILE B 38 14.912 14.376 8.520 1.00 2.43 H new ATOM 0 HD12 ILE B 38 14.637 12.643 8.814 1.00 2.43 H new ATOM 0 HD13 ILE B 38 13.430 13.596 7.919 1.00 2.43 H new ATOM 2128 N LYS B 39 13.051 14.299 13.630 1.00 0.69 N ATOM 2129 CA LYS B 39 13.866 14.289 14.832 1.00 0.84 C ATOM 2130 C LYS B 39 13.068 14.619 16.109 1.00 0.92 C ATOM 2131 O LYS B 39 13.642 14.610 17.196 1.00 1.12 O ATOM 2132 CB LYS B 39 15.035 15.251 14.557 1.00 0.99 C ATOM 2133 CG LYS B 39 16.128 14.588 13.695 1.00 1.29 C ATOM 2134 CD LYS B 39 17.000 13.571 14.455 1.00 1.41 C ATOM 2135 CE LYS B 39 17.686 12.627 13.459 1.00 2.51 C ATOM 2136 NZ LYS B 39 18.791 11.856 14.075 1.00 3.04 N ATOM 0 H LYS B 39 12.763 15.236 13.349 1.00 0.69 H new ATOM 0 HA LYS B 39 14.243 13.288 15.043 1.00 0.84 H new ATOM 0 HB2 LYS B 39 14.662 16.141 14.051 1.00 0.99 H new ATOM 0 HB3 LYS B 39 15.466 15.579 15.503 1.00 0.99 H new ATOM 0 HG2 LYS B 39 15.655 14.085 12.851 1.00 1.29 H new ATOM 0 HG3 LYS B 39 16.771 15.365 13.283 1.00 1.29 H new ATOM 0 HD2 LYS B 39 17.749 14.093 15.050 1.00 1.41 H new ATOM 0 HD3 LYS B 39 16.385 12.998 15.149 1.00 1.41 H new ATOM 0 HE2 LYS B 39 16.948 11.936 13.052 1.00 2.51 H new ATOM 0 HE3 LYS B 39 18.075 13.207 12.622 1.00 2.51 H new ATOM 0 HZ1 LYS B 39 19.143 11.151 13.396 1.00 3.04 H new ATOM 0 HZ2 LYS B 39 19.563 12.503 14.334 1.00 3.04 H new ATOM 0 HZ3 LYS B 39 18.444 11.373 14.928 1.00 3.04 H new ATOM 2150 N LYS B 40 11.769 14.928 16.008 1.00 0.85 N ATOM 2151 CA LYS B 40 10.857 15.112 17.142 1.00 0.99 C ATOM 2152 C LYS B 40 9.760 14.041 17.233 1.00 1.05 C ATOM 2153 O LYS B 40 9.295 13.783 18.338 1.00 1.29 O ATOM 2154 CB LYS B 40 10.179 16.483 17.023 1.00 1.14 C ATOM 2155 CG LYS B 40 11.004 17.648 17.582 1.00 1.37 C ATOM 2156 CD LYS B 40 12.340 17.852 16.870 1.00 2.05 C ATOM 2157 CE LYS B 40 12.773 19.287 16.660 1.00 2.49 C ATOM 2158 NZ LYS B 40 13.648 19.925 17.659 1.00 2.55 N ATOM 0 H LYS B 40 11.310 15.061 15.107 1.00 0.85 H new ATOM 0 HA LYS B 40 11.465 15.031 18.043 1.00 0.99 H new ATOM 0 HB2 LYS B 40 9.963 16.678 15.973 1.00 1.14 H new ATOM 0 HB3 LYS B 40 9.222 16.448 17.544 1.00 1.14 H new ATOM 0 HG2 LYS B 40 10.419 18.565 17.507 1.00 1.37 H new ATOM 0 HG3 LYS B 40 11.190 17.474 18.642 1.00 1.37 H new ATOM 0 HD2 LYS B 40 13.114 17.341 17.442 1.00 2.05 H new ATOM 0 HD3 LYS B 40 12.288 17.364 15.897 1.00 2.05 H new ATOM 0 HE2 LYS B 40 13.281 19.339 15.697 1.00 2.49 H new ATOM 0 HE3 LYS B 40 11.871 19.894 16.578 1.00 2.49 H new ATOM 0 HZ1 LYS B 40 13.865 20.897 17.360 1.00 2.55 H new ATOM 0 HZ2 LYS B 40 13.166 19.945 18.580 1.00 2.55 H new ATOM 0 HZ3 LYS B 40 14.532 19.383 17.743 1.00 2.55 H new ATOM 2172 N GLU B 41 9.282 13.493 16.108 1.00 0.97 N ATOM 2173 CA GLU B 41 8.211 12.482 16.144 1.00 1.19 C ATOM 2174 C GLU B 41 8.690 11.084 16.560 1.00 1.22 C ATOM 2175 O GLU B 41 8.033 10.464 17.399 1.00 1.71 O ATOM 2176 CB GLU B 41 7.310 12.474 14.897 1.00 1.48 C ATOM 2177 CG GLU B 41 7.869 12.185 13.496 1.00 2.01 C ATOM 2178 CD GLU B 41 8.583 10.854 13.398 1.00 3.77 C ATOM 2179 OE1 GLU B 41 7.926 9.836 13.689 1.00 4.46 O ATOM 2180 OE2 GLU B 41 9.806 10.886 13.137 1.00 5.16 O ATOM 0 H GLU B 41 9.613 13.727 15.172 1.00 0.97 H new ATOM 0 HA GLU B 41 7.560 12.812 16.954 1.00 1.19 H new ATOM 0 HB2 GLU B 41 6.525 11.741 15.080 1.00 1.48 H new ATOM 0 HB3 GLU B 41 6.829 13.451 14.849 1.00 1.48 H new ATOM 0 HG2 GLU B 41 7.052 12.205 12.775 1.00 2.01 H new ATOM 0 HG3 GLU B 41 8.559 12.981 13.217 1.00 2.01 H new ATOM 2187 N LEU B 42 9.838 10.605 16.065 1.00 1.08 N ATOM 2188 CA LEU B 42 10.442 9.349 16.469 1.00 1.40 C ATOM 2189 C LEU B 42 11.785 9.580 17.158 1.00 1.37 C ATOM 2190 O LEU B 42 12.491 10.579 17.001 1.00 1.44 O ATOM 2191 CB LEU B 42 10.575 8.385 15.268 1.00 1.77 C ATOM 2192 CG LEU B 42 9.797 7.061 15.386 1.00 2.24 C ATOM 2193 CD1 LEU B 42 9.896 6.287 14.065 1.00 2.10 C ATOM 2194 CD2 LEU B 42 10.369 6.194 16.514 1.00 3.19 C ATOM 0 H LEU B 42 10.379 11.100 15.355 1.00 1.08 H new ATOM 0 HA LEU B 42 9.781 8.876 17.196 1.00 1.40 H new ATOM 0 HB2 LEU B 42 10.239 8.904 14.370 1.00 1.77 H new ATOM 0 HB3 LEU B 42 11.631 8.154 15.126 1.00 1.77 H new ATOM 0 HG LEU B 42 8.756 7.293 15.609 1.00 2.24 H new ATOM 0 HD11 LEU B 42 9.345 5.350 14.150 1.00 2.10 H new ATOM 0 HD12 LEU B 42 9.471 6.886 13.260 1.00 2.10 H new ATOM 0 HD13 LEU B 42 10.942 6.074 13.846 1.00 2.10 H new ATOM 0 HD21 LEU B 42 9.805 5.264 16.580 1.00 3.19 H new ATOM 0 HD22 LEU B 42 11.415 5.970 16.306 1.00 3.19 H new ATOM 0 HD23 LEU B 42 10.294 6.731 17.459 1.00 3.19 H new ATOM 2206 N CYS B 43 12.151 8.541 17.893 1.00 1.57 N ATOM 2207 CA CYS B 43 13.402 8.346 18.603 1.00 1.82 C ATOM 2208 C CYS B 43 14.544 7.941 17.661 1.00 1.78 C ATOM 2209 O CYS B 43 15.157 6.880 17.766 1.00 2.76 O ATOM 2210 CB CYS B 43 13.114 7.356 19.722 1.00 2.39 C ATOM 2211 SG CYS B 43 12.609 5.729 19.098 1.00 4.68 S ATOM 0 H CYS B 43 11.525 7.745 18.017 1.00 1.57 H new ATOM 0 HA CYS B 43 13.768 9.275 19.041 1.00 1.82 H new ATOM 0 HB2 CYS B 43 14.004 7.244 20.341 1.00 2.39 H new ATOM 0 HB3 CYS B 43 12.328 7.756 20.363 1.00 2.39 H new ATOM 0 HG CYS B 43 13.427 5.350 18.161 1.00 4.68 H new ATOM 2217 N LEU B 44 14.770 8.795 16.671 1.00 1.94 N ATOM 2218 CA LEU B 44 15.826 8.670 15.675 1.00 2.56 C ATOM 2219 C LEU B 44 17.071 9.469 16.072 1.00 2.87 C ATOM 2220 O LEU B 44 18.103 9.347 15.418 1.00 3.46 O ATOM 2221 CB LEU B 44 15.218 9.086 14.327 1.00 3.37 C ATOM 2222 CG LEU B 44 14.240 8.007 13.807 1.00 3.46 C ATOM 2223 CD1 LEU B 44 13.243 8.629 12.827 1.00 4.38 C ATOM 2224 CD2 LEU B 44 15.006 6.842 13.163 1.00 3.51 C ATOM 0 H LEU B 44 14.198 9.629 16.535 1.00 1.94 H new ATOM 0 HA LEU B 44 16.186 7.644 15.599 1.00 2.56 H new ATOM 0 HB2 LEU B 44 14.694 10.035 14.437 1.00 3.37 H new ATOM 0 HB3 LEU B 44 16.013 9.244 13.598 1.00 3.37 H new ATOM 0 HG LEU B 44 13.680 7.604 14.651 1.00 3.46 H new ATOM 0 HD11 LEU B 44 12.559 7.860 12.467 1.00 4.38 H new ATOM 0 HD12 LEU B 44 12.676 9.411 13.332 1.00 4.38 H new ATOM 0 HD13 LEU B 44 13.782 9.059 11.983 1.00 4.38 H new ATOM 0 HD21 LEU B 44 14.298 6.095 12.804 1.00 3.51 H new ATOM 0 HD22 LEU B 44 15.597 7.214 12.326 1.00 3.51 H new ATOM 0 HD23 LEU B 44 15.668 6.389 13.901 1.00 3.51 H new ATOM 2236 N GLY B 45 17.002 10.241 17.165 1.00 3.06 N ATOM 2237 CA GLY B 45 18.136 10.929 17.786 1.00 3.48 C ATOM 2238 C GLY B 45 19.147 9.948 18.377 1.00 2.95 C ATOM 2239 O GLY B 45 20.319 10.041 18.034 1.00 3.08 O ATOM 0 H GLY B 45 16.124 10.408 17.656 1.00 3.06 H new ATOM 0 HA2 GLY B 45 18.630 11.556 17.044 1.00 3.48 H new ATOM 0 HA3 GLY B 45 17.772 11.592 18.571 1.00 3.48 H new ATOM 2242 N GLU B 46 18.706 8.973 19.183 1.00 3.01 N ATOM 2243 CA GLU B 46 19.594 7.965 19.776 1.00 3.00 C ATOM 2244 C GLU B 46 19.947 6.790 18.839 1.00 2.69 C ATOM 2245 O GLU B 46 20.479 5.784 19.303 1.00 3.36 O ATOM 2246 CB GLU B 46 19.039 7.485 21.136 1.00 3.62 C ATOM 2247 CG GLU B 46 17.824 6.535 21.100 1.00 3.78 C ATOM 2248 CD GLU B 46 16.472 7.237 21.216 1.00 4.53 C ATOM 2249 OE1 GLU B 46 16.274 8.261 20.526 1.00 4.61 O ATOM 2250 OE2 GLU B 46 15.617 6.726 21.990 1.00 5.73 O ATOM 0 H GLU B 46 17.726 8.861 19.442 1.00 3.01 H new ATOM 0 HA GLU B 46 20.548 8.465 19.946 1.00 3.00 H new ATOM 0 HB2 GLU B 46 19.845 6.985 21.673 1.00 3.62 H new ATOM 0 HB3 GLU B 46 18.765 8.364 21.719 1.00 3.62 H new ATOM 0 HG2 GLU B 46 17.848 5.969 20.169 1.00 3.78 H new ATOM 0 HG3 GLU B 46 17.917 5.815 21.913 1.00 3.78 H new ATOM 2257 N MET B 47 19.623 6.868 17.536 1.00 2.35 N ATOM 2258 CA MET B 47 19.791 5.747 16.590 1.00 2.52 C ATOM 2259 C MET B 47 20.487 6.116 15.273 1.00 2.45 C ATOM 2260 O MET B 47 21.480 5.497 14.901 1.00 2.54 O ATOM 2261 CB MET B 47 18.438 5.081 16.291 1.00 3.14 C ATOM 2262 CG MET B 47 17.729 4.578 17.553 1.00 3.50 C ATOM 2263 SD MET B 47 16.512 3.257 17.301 1.00 3.73 S ATOM 2264 CE MET B 47 15.674 3.845 15.809 1.00 3.07 C ATOM 0 H MET B 47 19.237 7.709 17.108 1.00 2.35 H new ATOM 0 HA MET B 47 20.457 5.049 17.098 1.00 2.52 H new ATOM 0 HB2 MET B 47 17.793 5.794 15.778 1.00 3.14 H new ATOM 0 HB3 MET B 47 18.593 4.244 15.610 1.00 3.14 H new ATOM 0 HG2 MET B 47 18.484 4.222 18.254 1.00 3.50 H new ATOM 0 HG3 MET B 47 17.228 5.422 18.026 1.00 3.50 H new ATOM 0 HE1 MET B 47 14.787 3.239 15.627 1.00 3.07 H new ATOM 0 HE2 MET B 47 15.381 4.886 15.943 1.00 3.07 H new ATOM 0 HE3 MET B 47 16.349 3.765 14.957 1.00 3.07 H new ATOM 2274 N LYS B 48 19.932 7.046 14.482 1.00 2.78 N ATOM 2275 CA LYS B 48 20.267 7.172 13.058 1.00 3.03 C ATOM 2276 C LYS B 48 20.578 8.608 12.605 1.00 3.38 C ATOM 2277 O LYS B 48 19.727 9.493 12.675 1.00 4.00 O ATOM 2278 CB LYS B 48 19.109 6.588 12.234 1.00 3.28 C ATOM 2279 CG LYS B 48 18.992 5.063 12.272 1.00 3.34 C ATOM 2280 CD LYS B 48 20.182 4.276 11.694 1.00 3.32 C ATOM 2281 CE LYS B 48 20.478 4.619 10.219 1.00 4.52 C ATOM 2282 NZ LYS B 48 21.477 3.699 9.615 1.00 5.52 N ATOM 0 H LYS B 48 19.245 7.725 14.808 1.00 2.78 H new ATOM 0 HA LYS B 48 21.191 6.617 12.893 1.00 3.03 H new ATOM 0 HB2 LYS B 48 18.174 7.018 12.594 1.00 3.28 H new ATOM 0 HB3 LYS B 48 19.226 6.902 11.197 1.00 3.28 H new ATOM 0 HG2 LYS B 48 18.849 4.756 13.308 1.00 3.34 H new ATOM 0 HG3 LYS B 48 18.093 4.775 11.727 1.00 3.34 H new ATOM 0 HD2 LYS B 48 21.070 4.480 12.293 1.00 3.32 H new ATOM 0 HD3 LYS B 48 19.979 3.208 11.778 1.00 3.32 H new ATOM 0 HE2 LYS B 48 19.552 4.574 9.645 1.00 4.52 H new ATOM 0 HE3 LYS B 48 20.844 5.643 10.153 1.00 4.52 H new ATOM 0 HZ1 LYS B 48 21.807 4.091 8.710 1.00 5.52 H new ATOM 0 HZ2 LYS B 48 22.285 3.591 10.261 1.00 5.52 H new ATOM 0 HZ3 LYS B 48 21.039 2.770 9.450 1.00 5.52 H new ATOM 2296 N GLU B 49 21.791 8.751 12.058 1.00 3.24 N ATOM 2297 CA GLU B 49 22.340 9.885 11.292 1.00 3.57 C ATOM 2298 C GLU B 49 23.431 9.334 10.361 1.00 2.50 C ATOM 2299 O GLU B 49 23.356 9.500 9.151 1.00 3.13 O ATOM 2300 CB GLU B 49 22.881 11.035 12.174 1.00 4.79 C ATOM 2301 CG GLU B 49 21.725 11.683 12.940 1.00 6.09 C ATOM 2302 CD GLU B 49 21.967 13.060 13.540 1.00 7.17 C ATOM 2303 OE1 GLU B 49 23.126 13.516 13.577 1.00 7.47 O ATOM 2304 OE2 GLU B 49 20.925 13.603 13.984 1.00 8.11 O ATOM 0 H GLU B 49 22.482 8.006 12.147 1.00 3.24 H new ATOM 0 HA GLU B 49 21.529 10.338 10.722 1.00 3.57 H new ATOM 0 HB2 GLU B 49 23.624 10.652 12.873 1.00 4.79 H new ATOM 0 HB3 GLU B 49 23.381 11.778 11.553 1.00 4.79 H new ATOM 0 HG2 GLU B 49 20.872 11.755 12.265 1.00 6.09 H new ATOM 0 HG3 GLU B 49 21.437 11.010 13.747 1.00 6.09 H new ATOM 2311 N SER B 50 24.359 8.520 10.868 1.00 2.05 N ATOM 2312 CA SER B 50 25.219 7.707 9.993 1.00 2.25 C ATOM 2313 C SER B 50 24.382 6.867 8.998 1.00 2.56 C ATOM 2314 O SER B 50 23.550 6.056 9.418 1.00 3.92 O ATOM 2315 CB SER B 50 26.146 6.804 10.817 1.00 3.12 C ATOM 2316 OG SER B 50 27.208 7.553 11.390 1.00 3.35 O ATOM 0 H SER B 50 24.536 8.404 11.866 1.00 2.05 H new ATOM 0 HA SER B 50 25.836 8.393 9.413 1.00 2.25 H new ATOM 0 HB2 SER B 50 25.575 6.314 11.606 1.00 3.12 H new ATOM 0 HB3 SER B 50 26.553 6.017 10.181 1.00 3.12 H new ATOM 0 HG SER B 50 27.785 6.957 11.912 1.00 3.35 H new ATOM 2322 N SER B 51 24.594 7.117 7.696 1.00 1.85 N ATOM 2323 CA SER B 51 23.917 6.528 6.515 1.00 2.10 C ATOM 2324 C SER B 51 22.582 7.180 6.141 1.00 1.95 C ATOM 2325 O SER B 51 21.943 6.708 5.203 1.00 2.61 O ATOM 2326 CB SER B 51 23.761 4.989 6.614 1.00 2.46 C ATOM 2327 OG SER B 51 22.437 4.579 6.966 1.00 3.34 O ATOM 0 H SER B 51 25.303 7.793 7.411 1.00 1.85 H new ATOM 0 HA SER B 51 24.601 6.754 5.697 1.00 2.10 H new ATOM 0 HB2 SER B 51 24.031 4.541 5.658 1.00 2.46 H new ATOM 0 HB3 SER B 51 24.462 4.606 7.355 1.00 2.46 H new ATOM 0 HG SER B 51 22.355 3.609 6.857 1.00 3.34 H new ATOM 2333 N ILE B 52 22.140 8.215 6.858 1.00 1.51 N ATOM 2334 CA ILE B 52 20.931 8.986 6.507 1.00 1.75 C ATOM 2335 C ILE B 52 21.111 10.503 6.595 1.00 1.48 C ATOM 2336 O ILE B 52 20.259 11.226 6.103 1.00 1.59 O ATOM 2337 CB ILE B 52 19.694 8.495 7.300 1.00 2.28 C ATOM 2338 CG1 ILE B 52 19.776 8.783 8.813 1.00 2.43 C ATOM 2339 CG2 ILE B 52 19.461 6.992 7.036 1.00 2.91 C ATOM 2340 CD1 ILE B 52 19.202 10.150 9.215 1.00 2.55 C ATOM 0 H ILE B 52 22.607 8.548 7.702 1.00 1.51 H new ATOM 0 HA ILE B 52 20.750 8.787 5.451 1.00 1.75 H new ATOM 0 HB ILE B 52 18.840 9.067 6.937 1.00 2.28 H new ATOM 0 HG12 ILE B 52 19.240 8.002 9.352 1.00 2.43 H new ATOM 0 HG13 ILE B 52 20.818 8.730 9.128 1.00 2.43 H new ATOM 0 HG21 ILE B 52 18.590 6.655 7.597 1.00 2.91 H new ATOM 0 HG22 ILE B 52 19.291 6.832 5.971 1.00 2.91 H new ATOM 0 HG23 ILE B 52 20.338 6.427 7.353 1.00 2.91 H new ATOM 0 HD11 ILE B 52 19.295 10.281 10.293 1.00 2.55 H new ATOM 0 HD12 ILE B 52 19.753 10.940 8.705 1.00 2.55 H new ATOM 0 HD13 ILE B 52 18.150 10.200 8.933 1.00 2.55 H new ATOM 2352 N ASP B 53 22.207 11.005 7.162 1.00 1.27 N ATOM 2353 CA ASP B 53 22.640 12.409 7.066 1.00 1.31 C ATOM 2354 C ASP B 53 22.836 12.849 5.602 1.00 1.32 C ATOM 2355 O ASP B 53 22.630 14.009 5.262 1.00 1.44 O ATOM 2356 CB ASP B 53 23.915 12.605 7.898 1.00 1.60 C ATOM 2357 CG ASP B 53 24.361 14.069 7.935 1.00 2.16 C ATOM 2358 OD1 ASP B 53 23.528 14.958 8.237 1.00 2.50 O ATOM 2359 OD2 ASP B 53 25.551 14.348 7.655 1.00 3.28 O ATOM 0 H ASP B 53 22.842 10.433 7.719 1.00 1.27 H new ATOM 0 HA ASP B 53 21.855 13.048 7.471 1.00 1.31 H new ATOM 0 HB2 ASP B 53 23.741 12.254 8.915 1.00 1.60 H new ATOM 0 HB3 ASP B 53 24.716 11.993 7.483 1.00 1.60 H new ATOM 2364 N ASP B 54 23.132 11.882 4.735 1.00 1.36 N ATOM 2365 CA ASP B 54 22.913 11.909 3.290 1.00 1.65 C ATOM 2366 C ASP B 54 21.543 12.540 2.920 1.00 1.28 C ATOM 2367 O ASP B 54 21.463 13.633 2.345 1.00 1.23 O ATOM 2368 CB ASP B 54 23.037 10.430 2.857 1.00 2.11 C ATOM 2369 CG ASP B 54 22.650 10.214 1.396 1.00 2.99 C ATOM 2370 OD1 ASP B 54 23.483 10.546 0.523 1.00 2.88 O ATOM 2371 OD2 ASP B 54 21.523 9.719 1.177 1.00 4.41 O ATOM 0 H ASP B 54 23.556 11.006 5.041 1.00 1.36 H new ATOM 0 HA ASP B 54 23.635 12.539 2.770 1.00 1.65 H new ATOM 0 HB2 ASP B 54 24.063 10.094 3.011 1.00 2.11 H new ATOM 0 HB3 ASP B 54 22.401 9.814 3.493 1.00 2.11 H new ATOM 2376 N LEU B 55 20.453 11.901 3.356 1.00 1.11 N ATOM 2377 CA LEU B 55 19.079 12.382 3.205 1.00 0.87 C ATOM 2378 C LEU B 55 18.871 13.734 3.911 1.00 0.79 C ATOM 2379 O LEU B 55 18.218 14.617 3.358 1.00 0.76 O ATOM 2380 CB LEU B 55 18.085 11.341 3.759 1.00 0.82 C ATOM 2381 CG LEU B 55 18.314 9.869 3.369 1.00 1.03 C ATOM 2382 CD1 LEU B 55 17.332 8.984 4.158 1.00 1.06 C ATOM 2383 CD2 LEU B 55 18.137 9.658 1.861 1.00 1.25 C ATOM 0 H LEU B 55 20.506 11.005 3.840 1.00 1.11 H new ATOM 0 HA LEU B 55 18.895 12.527 2.140 1.00 0.87 H new ATOM 0 HB2 LEU B 55 18.098 11.408 4.847 1.00 0.82 H new ATOM 0 HB3 LEU B 55 17.084 11.624 3.434 1.00 0.82 H new ATOM 0 HG LEU B 55 19.339 9.592 3.617 1.00 1.03 H new ATOM 0 HD11 LEU B 55 17.487 7.939 3.888 1.00 1.06 H new ATOM 0 HD12 LEU B 55 17.504 9.112 5.227 1.00 1.06 H new ATOM 0 HD13 LEU B 55 16.309 9.273 3.918 1.00 1.06 H new ATOM 0 HD21 LEU B 55 18.305 8.609 1.618 1.00 1.25 H new ATOM 0 HD22 LEU B 55 17.125 9.940 1.570 1.00 1.25 H new ATOM 0 HD23 LEU B 55 18.855 10.275 1.321 1.00 1.25 H new ATOM 2395 N MET B 56 19.443 13.940 5.103 1.00 0.93 N ATOM 2396 CA MET B 56 19.320 15.206 5.850 1.00 1.07 C ATOM 2397 C MET B 56 19.921 16.387 5.080 1.00 1.13 C ATOM 2398 O MET B 56 19.375 17.492 5.112 1.00 1.21 O ATOM 2399 CB MET B 56 19.992 15.106 7.228 1.00 1.34 C ATOM 2400 CG MET B 56 19.449 13.974 8.107 1.00 1.58 C ATOM 2401 SD MET B 56 17.741 14.193 8.649 1.00 1.78 S ATOM 2402 CE MET B 56 18.060 14.950 10.260 1.00 2.11 C ATOM 0 H MET B 56 20.005 13.236 5.581 1.00 0.93 H new ATOM 0 HA MET B 56 18.253 15.385 5.981 1.00 1.07 H new ATOM 0 HB2 MET B 56 21.063 14.961 7.088 1.00 1.34 H new ATOM 0 HB3 MET B 56 19.864 16.053 7.753 1.00 1.34 H new ATOM 0 HG2 MET B 56 19.524 13.037 7.556 1.00 1.58 H new ATOM 0 HG3 MET B 56 20.086 13.878 8.987 1.00 1.58 H new ATOM 0 HE1 MET B 56 17.143 14.951 10.849 1.00 2.11 H new ATOM 0 HE2 MET B 56 18.827 14.380 10.784 1.00 2.11 H new ATOM 0 HE3 MET B 56 18.402 15.975 10.119 1.00 2.11 H new ATOM 2412 N LYS B 57 21.010 16.168 4.337 1.00 1.21 N ATOM 2413 CA LYS B 57 21.587 17.171 3.438 1.00 1.33 C ATOM 2414 C LYS B 57 20.687 17.428 2.231 1.00 1.18 C ATOM 2415 O LYS B 57 20.568 18.580 1.820 1.00 1.21 O ATOM 2416 CB LYS B 57 23.013 16.772 3.002 1.00 1.68 C ATOM 2417 CG LYS B 57 24.088 17.397 3.906 1.00 1.40 C ATOM 2418 CD LYS B 57 24.108 16.798 5.316 1.00 2.75 C ATOM 2419 CE LYS B 57 24.984 17.650 6.239 1.00 3.33 C ATOM 2420 NZ LYS B 57 25.126 17.014 7.565 1.00 4.83 N ATOM 0 H LYS B 57 21.519 15.284 4.343 1.00 1.21 H new ATOM 0 HA LYS B 57 21.659 18.107 3.993 1.00 1.33 H new ATOM 0 HB2 LYS B 57 23.108 15.686 3.023 1.00 1.68 H new ATOM 0 HB3 LYS B 57 23.178 17.086 1.972 1.00 1.68 H new ATOM 0 HG2 LYS B 57 25.066 17.260 3.445 1.00 1.40 H new ATOM 0 HG3 LYS B 57 23.916 18.471 3.976 1.00 1.40 H new ATOM 0 HD2 LYS B 57 23.094 16.746 5.711 1.00 2.75 H new ATOM 0 HD3 LYS B 57 24.489 15.777 5.280 1.00 2.75 H new ATOM 0 HE2 LYS B 57 25.968 17.787 5.789 1.00 3.33 H new ATOM 0 HE3 LYS B 57 24.544 18.641 6.352 1.00 3.33 H new ATOM 0 HZ1 LYS B 57 25.466 17.716 8.252 1.00 4.83 H new ATOM 0 HZ2 LYS B 57 24.204 16.646 7.874 1.00 4.83 H new ATOM 0 HZ3 LYS B 57 25.808 16.231 7.503 1.00 4.83 H new ATOM 2434 N SER B 58 19.992 16.411 1.720 1.00 1.11 N ATOM 2435 CA SER B 58 18.913 16.621 0.728 1.00 1.09 C ATOM 2436 C SER B 58 17.797 17.561 1.244 1.00 0.93 C ATOM 2437 O SER B 58 17.135 18.244 0.458 1.00 1.16 O ATOM 2438 CB SER B 58 18.347 15.279 0.233 1.00 1.34 C ATOM 2439 OG SER B 58 17.339 15.483 -0.744 1.00 2.84 O ATOM 0 H SER B 58 20.149 15.434 1.969 1.00 1.11 H new ATOM 0 HA SER B 58 19.364 17.130 -0.124 1.00 1.09 H new ATOM 0 HB2 SER B 58 19.150 14.675 -0.188 1.00 1.34 H new ATOM 0 HB3 SER B 58 17.936 14.721 1.074 1.00 1.34 H new ATOM 0 HG SER B 58 16.995 14.616 -1.045 1.00 2.84 H new ATOM 2445 N LEU B 59 17.625 17.684 2.567 1.00 0.86 N ATOM 2446 CA LEU B 59 16.700 18.645 3.166 1.00 1.10 C ATOM 2447 C LEU B 59 17.356 20.014 3.327 1.00 1.20 C ATOM 2448 O LEU B 59 16.894 20.994 2.734 1.00 1.40 O ATOM 2449 CB LEU B 59 16.154 18.097 4.496 1.00 1.23 C ATOM 2450 CG LEU B 59 15.579 16.671 4.409 1.00 1.21 C ATOM 2451 CD1 LEU B 59 15.029 16.293 5.785 1.00 1.43 C ATOM 2452 CD2 LEU B 59 14.519 16.536 3.304 1.00 1.25 C ATOM 0 H LEU B 59 18.126 17.117 3.250 1.00 0.86 H new ATOM 0 HA LEU B 59 15.853 18.785 2.495 1.00 1.10 H new ATOM 0 HB2 LEU B 59 16.955 18.108 5.235 1.00 1.23 H new ATOM 0 HB3 LEU B 59 15.375 18.768 4.859 1.00 1.23 H new ATOM 0 HG LEU B 59 16.372 15.977 4.130 1.00 1.21 H new ATOM 0 HD11 LEU B 59 14.616 15.285 5.747 1.00 1.43 H new ATOM 0 HD12 LEU B 59 15.833 16.328 6.520 1.00 1.43 H new ATOM 0 HD13 LEU B 59 14.246 16.996 6.069 1.00 1.43 H new ATOM 0 HD21 LEU B 59 14.144 15.513 3.283 1.00 1.25 H new ATOM 0 HD22 LEU B 59 13.695 17.220 3.505 1.00 1.25 H new ATOM 0 HD23 LEU B 59 14.966 16.779 2.340 1.00 1.25 H new ATOM 2464 N ASP B 60 18.438 20.092 4.110 1.00 1.18 N ATOM 2465 CA ASP B 60 19.020 21.376 4.513 1.00 1.29 C ATOM 2466 C ASP B 60 19.598 22.166 3.317 1.00 1.29 C ATOM 2467 O ASP B 60 19.589 23.395 3.330 1.00 1.45 O ATOM 2468 CB ASP B 60 20.016 21.181 5.668 1.00 1.41 C ATOM 2469 CG ASP B 60 19.978 22.371 6.650 1.00 1.70 C ATOM 2470 OD1 ASP B 60 20.451 23.477 6.319 1.00 2.62 O ATOM 2471 OD2 ASP B 60 19.383 22.204 7.742 1.00 2.31 O ATOM 0 H ASP B 60 18.929 19.277 4.478 1.00 1.18 H new ATOM 0 HA ASP B 60 18.218 22.007 4.895 1.00 1.29 H new ATOM 0 HB2 ASP B 60 19.782 20.260 6.201 1.00 1.41 H new ATOM 0 HB3 ASP B 60 21.023 21.070 5.267 1.00 1.41 H new ATOM 2476 N LYS B 61 19.981 21.498 2.214 1.00 1.33 N ATOM 2477 CA LYS B 61 20.262 22.120 0.927 1.00 1.36 C ATOM 2478 C LYS B 61 19.271 23.178 0.449 1.00 1.38 C ATOM 2479 O LYS B 61 19.721 24.151 -0.159 1.00 1.62 O ATOM 2480 CB LYS B 61 20.299 20.991 -0.118 1.00 1.38 C ATOM 2481 CG LYS B 61 21.720 20.470 -0.287 1.00 2.11 C ATOM 2482 CD LYS B 61 22.493 21.191 -1.397 1.00 2.48 C ATOM 2483 CE LYS B 61 22.398 22.731 -1.512 1.00 4.34 C ATOM 2484 NZ LYS B 61 21.254 23.217 -2.338 1.00 5.60 N ATOM 0 H LYS B 61 20.104 20.485 2.203 1.00 1.33 H new ATOM 0 HA LYS B 61 21.202 22.657 1.052 1.00 1.36 H new ATOM 0 HB2 LYS B 61 19.642 20.179 0.192 1.00 1.38 H new ATOM 0 HB3 LYS B 61 19.924 21.358 -1.073 1.00 1.38 H new ATOM 0 HG2 LYS B 61 22.257 20.583 0.655 1.00 2.11 H new ATOM 0 HG3 LYS B 61 21.686 19.403 -0.509 1.00 2.11 H new ATOM 0 HD2 LYS B 61 23.546 20.936 -1.281 1.00 2.48 H new ATOM 0 HD3 LYS B 61 22.167 20.771 -2.349 1.00 2.48 H new ATOM 0 HE2 LYS B 61 22.313 23.154 -0.511 1.00 4.34 H new ATOM 0 HE3 LYS B 61 23.326 23.109 -1.940 1.00 4.34 H new ATOM 0 HZ1 LYS B 61 21.589 23.944 -3.002 1.00 5.60 H new ATOM 0 HZ2 LYS B 61 20.848 22.422 -2.871 1.00 5.60 H new ATOM 0 HZ3 LYS B 61 20.526 23.625 -1.717 1.00 5.60 H new ATOM 2498 N ASN B 62 17.968 22.928 0.578 1.00 1.22 N ATOM 2499 CA ASN B 62 16.934 23.741 -0.083 1.00 1.34 C ATOM 2500 C ASN B 62 15.876 24.253 0.908 1.00 1.29 C ATOM 2501 O ASN B 62 15.403 25.369 0.756 1.00 1.97 O ATOM 2502 CB ASN B 62 16.257 22.918 -1.186 1.00 1.62 C ATOM 2503 CG ASN B 62 17.129 22.489 -2.368 1.00 1.81 C ATOM 2504 OD1 ASN B 62 18.340 22.680 -2.434 1.00 2.18 O ATOM 2505 ND2 ASN B 62 16.496 21.877 -3.351 1.00 2.71 N ATOM 0 H ASN B 62 17.596 22.162 1.139 1.00 1.22 H new ATOM 0 HA ASN B 62 17.426 24.612 -0.515 1.00 1.34 H new ATOM 0 HB2 ASN B 62 15.839 22.020 -0.730 1.00 1.62 H new ATOM 0 HB3 ASN B 62 15.420 23.497 -1.575 1.00 1.62 H new ATOM 0 HD21 ASN B 62 17.013 21.560 -4.171 1.00 2.71 H new ATOM 0 HD22 ASN B 62 15.490 21.721 -3.291 1.00 2.71 H new ATOM 2512 N SER B 63 15.559 23.459 1.933 1.00 1.18 N ATOM 2513 CA SER B 63 14.993 23.844 3.230 1.00 1.08 C ATOM 2514 C SER B 63 13.617 24.513 3.268 1.00 1.01 C ATOM 2515 O SER B 63 12.762 24.029 3.981 1.00 1.25 O ATOM 2516 CB SER B 63 15.958 24.740 3.995 1.00 1.29 C ATOM 2517 OG SER B 63 17.137 24.051 4.370 1.00 2.13 O ATOM 0 H SER B 63 15.702 22.451 1.874 1.00 1.18 H new ATOM 0 HA SER B 63 14.839 22.867 3.688 1.00 1.08 H new ATOM 0 HB2 SER B 63 16.221 25.600 3.378 1.00 1.29 H new ATOM 0 HB3 SER B 63 15.465 25.126 4.887 1.00 1.29 H new ATOM 0 HG SER B 63 17.780 24.076 3.631 1.00 2.13 H new ATOM 2523 N ASP B 64 13.336 25.599 2.572 1.00 0.95 N ATOM 2524 CA ASP B 64 12.162 26.436 2.875 1.00 1.16 C ATOM 2525 C ASP B 64 11.449 26.850 1.582 1.00 1.07 C ATOM 2526 O ASP B 64 10.661 27.788 1.513 1.00 1.67 O ATOM 2527 CB ASP B 64 12.566 27.545 3.863 1.00 2.04 C ATOM 2528 CG ASP B 64 12.937 26.942 5.235 1.00 3.20 C ATOM 2529 OD1 ASP B 64 12.028 26.392 5.905 1.00 4.17 O ATOM 2530 OD2 ASP B 64 14.140 27.001 5.601 1.00 3.67 O ATOM 0 H ASP B 64 13.898 25.933 1.789 1.00 0.95 H new ATOM 0 HA ASP B 64 11.386 25.885 3.406 1.00 1.16 H new ATOM 0 HB2 ASP B 64 13.413 28.104 3.464 1.00 2.04 H new ATOM 0 HB3 ASP B 64 11.745 28.252 3.980 1.00 2.04 H new ATOM 2535 N GLN B 65 11.697 26.010 0.576 1.00 1.00 N ATOM 2536 CA GLN B 65 10.624 25.419 -0.193 1.00 0.91 C ATOM 2537 C GLN B 65 9.678 24.588 0.692 1.00 0.92 C ATOM 2538 O GLN B 65 10.021 24.119 1.784 1.00 1.09 O ATOM 2539 CB GLN B 65 11.212 24.465 -1.250 1.00 0.96 C ATOM 2540 CG GLN B 65 12.189 23.380 -0.744 1.00 2.21 C ATOM 2541 CD GLN B 65 12.400 22.229 -1.738 1.00 3.14 C ATOM 2542 OE1 GLN B 65 13.485 22.019 -2.268 1.00 3.44 O ATOM 2543 NE2 GLN B 65 11.409 21.391 -1.970 1.00 4.28 N ATOM 0 H GLN B 65 12.633 25.730 0.282 1.00 1.00 H new ATOM 0 HA GLN B 65 10.069 26.237 -0.652 1.00 0.91 H new ATOM 0 HB2 GLN B 65 10.385 23.968 -1.756 1.00 0.96 H new ATOM 0 HB3 GLN B 65 11.729 25.065 -1.999 1.00 0.96 H new ATOM 0 HG2 GLN B 65 13.152 23.843 -0.528 1.00 2.21 H new ATOM 0 HG3 GLN B 65 11.813 22.974 0.195 1.00 2.21 H new ATOM 0 HE21 GLN B 65 10.498 21.547 -1.539 1.00 4.28 H new ATOM 0 HE22 GLN B 65 11.554 20.587 -2.580 1.00 4.28 H new ATOM 2552 N GLU B 66 8.533 24.280 0.106 1.00 0.86 N ATOM 2553 CA GLU B 66 7.608 23.263 0.554 1.00 0.81 C ATOM 2554 C GLU B 66 8.147 21.837 0.333 1.00 0.99 C ATOM 2555 O GLU B 66 9.064 21.584 -0.453 1.00 1.37 O ATOM 2556 CB GLU B 66 6.231 23.413 -0.140 1.00 0.79 C ATOM 2557 CG GLU B 66 5.784 24.847 -0.481 1.00 1.30 C ATOM 2558 CD GLU B 66 6.343 25.313 -1.835 1.00 2.90 C ATOM 2559 OE1 GLU B 66 5.660 25.061 -2.854 1.00 3.71 O ATOM 2560 OE2 GLU B 66 7.475 25.848 -1.844 1.00 4.19 O ATOM 0 H GLU B 66 8.212 24.758 -0.736 1.00 0.86 H new ATOM 0 HA GLU B 66 7.488 23.412 1.627 1.00 0.81 H new ATOM 0 HB2 GLU B 66 6.249 22.833 -1.063 1.00 0.79 H new ATOM 0 HB3 GLU B 66 5.474 22.964 0.503 1.00 0.79 H new ATOM 0 HG2 GLU B 66 4.695 24.893 -0.502 1.00 1.30 H new ATOM 0 HG3 GLU B 66 6.116 25.527 0.303 1.00 1.30 H new ATOM 2567 N ILE B 67 7.523 20.877 1.017 1.00 0.84 N ATOM 2568 CA ILE B 67 7.610 19.441 0.754 1.00 0.89 C ATOM 2569 C ILE B 67 6.214 18.830 0.635 1.00 0.76 C ATOM 2570 O ILE B 67 5.300 19.163 1.389 1.00 0.70 O ATOM 2571 CB ILE B 67 8.501 18.729 1.818 1.00 1.03 C ATOM 2572 CG1 ILE B 67 9.851 18.392 1.150 1.00 1.27 C ATOM 2573 CG2 ILE B 67 7.881 17.457 2.437 1.00 2.15 C ATOM 2574 CD1 ILE B 67 10.840 17.632 2.044 1.00 1.40 C ATOM 0 H ILE B 67 6.914 21.091 1.807 1.00 0.84 H new ATOM 0 HA ILE B 67 8.102 19.287 -0.206 1.00 0.89 H new ATOM 0 HB ILE B 67 8.616 19.416 2.656 1.00 1.03 H new ATOM 0 HG12 ILE B 67 9.660 17.797 0.257 1.00 1.27 H new ATOM 0 HG13 ILE B 67 10.319 19.320 0.821 1.00 1.27 H new ATOM 0 HG21 ILE B 67 8.573 17.032 3.165 1.00 2.15 H new ATOM 0 HG22 ILE B 67 6.945 17.713 2.933 1.00 2.15 H new ATOM 0 HG23 ILE B 67 7.688 16.727 1.651 1.00 2.15 H new ATOM 0 HD11 ILE B 67 11.758 17.440 1.489 1.00 1.40 H new ATOM 0 HD12 ILE B 67 11.067 18.231 2.926 1.00 1.40 H new ATOM 0 HD13 ILE B 67 10.398 16.685 2.353 1.00 1.40 H new ATOM 2586 N ASP B 68 6.111 17.871 -0.280 1.00 0.96 N ATOM 2587 CA ASP B 68 4.980 16.979 -0.480 1.00 1.12 C ATOM 2588 C ASP B 68 5.145 15.718 0.392 1.00 1.05 C ATOM 2589 O ASP B 68 6.209 15.087 0.436 1.00 1.25 O ATOM 2590 CB ASP B 68 4.916 16.680 -1.997 1.00 1.61 C ATOM 2591 CG ASP B 68 3.921 15.607 -2.450 1.00 1.23 C ATOM 2592 OD1 ASP B 68 3.806 14.580 -1.752 1.00 1.77 O ATOM 2593 OD2 ASP B 68 3.350 15.722 -3.565 1.00 2.26 O ATOM 0 H ASP B 68 6.865 17.687 -0.942 1.00 0.96 H new ATOM 0 HA ASP B 68 4.035 17.425 -0.169 1.00 1.12 H new ATOM 0 HB2 ASP B 68 4.674 17.608 -2.516 1.00 1.61 H new ATOM 0 HB3 ASP B 68 5.911 16.381 -2.326 1.00 1.61 H new ATOM 2598 N PHE B 69 4.039 15.338 1.041 1.00 1.02 N ATOM 2599 CA PHE B 69 3.808 14.157 1.882 1.00 0.99 C ATOM 2600 C PHE B 69 4.417 12.813 1.419 1.00 0.79 C ATOM 2601 O PHE B 69 4.599 11.909 2.239 1.00 0.85 O ATOM 2602 CB PHE B 69 2.278 14.024 2.008 1.00 1.23 C ATOM 2603 CG PHE B 69 1.547 13.822 0.685 1.00 2.55 C ATOM 2604 CD1 PHE B 69 1.083 14.917 -0.074 1.00 4.24 C ATOM 2605 CD2 PHE B 69 1.348 12.525 0.194 1.00 3.69 C ATOM 2606 CE1 PHE B 69 0.430 14.709 -1.300 1.00 6.26 C ATOM 2607 CE2 PHE B 69 0.700 12.307 -1.036 1.00 5.86 C ATOM 2608 CZ PHE B 69 0.238 13.400 -1.783 1.00 6.96 C ATOM 0 H PHE B 69 3.196 15.909 0.984 1.00 1.02 H new ATOM 0 HA PHE B 69 4.333 14.336 2.821 1.00 0.99 H new ATOM 0 HB2 PHE B 69 2.052 13.184 2.665 1.00 1.23 H new ATOM 0 HB3 PHE B 69 1.887 14.920 2.491 1.00 1.23 H new ATOM 0 HD1 PHE B 69 1.231 15.923 0.290 1.00 4.24 H new ATOM 0 HD2 PHE B 69 1.697 11.680 0.768 1.00 3.69 H new ATOM 0 HE1 PHE B 69 0.075 15.553 -1.873 1.00 6.26 H new ATOM 0 HE2 PHE B 69 0.559 11.301 -1.403 1.00 5.86 H new ATOM 0 HZ PHE B 69 -0.264 13.239 -2.726 1.00 6.96 H new ATOM 2618 N LYS B 70 4.746 12.622 0.139 1.00 0.70 N ATOM 2619 CA LYS B 70 5.419 11.406 -0.346 1.00 0.80 C ATOM 2620 C LYS B 70 6.894 11.374 0.041 1.00 0.82 C ATOM 2621 O LYS B 70 7.384 10.309 0.418 1.00 0.85 O ATOM 2622 CB LYS B 70 5.310 11.336 -1.865 1.00 0.93 C ATOM 2623 CG LYS B 70 3.954 10.778 -2.331 1.00 1.55 C ATOM 2624 CD LYS B 70 3.618 11.220 -3.762 1.00 1.99 C ATOM 2625 CE LYS B 70 3.274 12.704 -3.673 1.00 3.43 C ATOM 2626 NZ LYS B 70 2.867 13.390 -4.911 1.00 4.28 N ATOM 0 H LYS B 70 4.555 13.305 -0.594 1.00 0.70 H new ATOM 0 HA LYS B 70 4.926 10.552 0.119 1.00 0.80 H new ATOM 0 HB2 LYS B 70 5.453 12.333 -2.283 1.00 0.93 H new ATOM 0 HB3 LYS B 70 6.111 10.709 -2.255 1.00 0.93 H new ATOM 0 HG2 LYS B 70 3.972 9.689 -2.282 1.00 1.55 H new ATOM 0 HG3 LYS B 70 3.170 11.115 -1.653 1.00 1.55 H new ATOM 0 HD2 LYS B 70 4.463 11.055 -4.430 1.00 1.99 H new ATOM 0 HD3 LYS B 70 2.780 10.648 -4.161 1.00 1.99 H new ATOM 0 HE2 LYS B 70 2.469 12.818 -2.947 1.00 3.43 H new ATOM 0 HE3 LYS B 70 4.143 13.226 -3.271 1.00 3.43 H new ATOM 0 HZ1 LYS B 70 2.926 14.419 -4.773 1.00 4.28 H new ATOM 0 HZ2 LYS B 70 3.498 13.108 -5.688 1.00 4.28 H new ATOM 0 HZ3 LYS B 70 1.889 13.128 -5.147 1.00 4.28 H new ATOM 2640 N GLU B 71 7.571 12.528 -0.008 1.00 0.84 N ATOM 2641 CA GLU B 71 8.943 12.622 0.486 1.00 0.92 C ATOM 2642 C GLU B 71 8.995 12.190 1.954 1.00 0.90 C ATOM 2643 O GLU B 71 9.952 11.549 2.364 1.00 0.98 O ATOM 2644 CB GLU B 71 9.545 14.021 0.287 1.00 1.06 C ATOM 2645 CG GLU B 71 9.648 14.379 -1.206 1.00 1.18 C ATOM 2646 CD GLU B 71 10.854 15.279 -1.516 1.00 1.58 C ATOM 2647 OE1 GLU B 71 12.012 14.928 -1.186 1.00 2.51 O ATOM 2648 OE2 GLU B 71 10.639 16.388 -2.052 1.00 2.25 O ATOM 0 H GLU B 71 7.193 13.399 -0.381 1.00 0.84 H new ATOM 0 HA GLU B 71 9.559 11.944 -0.104 1.00 0.92 H new ATOM 0 HB2 GLU B 71 8.929 14.760 0.799 1.00 1.06 H new ATOM 0 HB3 GLU B 71 10.535 14.061 0.742 1.00 1.06 H new ATOM 0 HG2 GLU B 71 9.723 13.463 -1.791 1.00 1.18 H new ATOM 0 HG3 GLU B 71 8.733 14.883 -1.519 1.00 1.18 H new ATOM 2655 N TYR B 72 7.920 12.406 2.719 1.00 0.86 N ATOM 2656 CA TYR B 72 7.903 12.053 4.149 1.00 0.86 C ATOM 2657 C TYR B 72 7.774 10.541 4.376 1.00 0.89 C ATOM 2658 O TYR B 72 8.541 9.945 5.134 1.00 0.93 O ATOM 2659 CB TYR B 72 6.777 12.809 4.864 1.00 0.92 C ATOM 2660 CG TYR B 72 6.565 12.410 6.317 1.00 1.07 C ATOM 2661 CD1 TYR B 72 7.618 12.516 7.249 1.00 2.18 C ATOM 2662 CD2 TYR B 72 5.303 11.953 6.744 1.00 1.56 C ATOM 2663 CE1 TYR B 72 7.396 12.245 8.609 1.00 2.44 C ATOM 2664 CE2 TYR B 72 5.077 11.675 8.105 1.00 1.58 C ATOM 2665 CZ TYR B 72 6.112 11.864 9.046 1.00 1.56 C ATOM 2666 OH TYR B 72 5.874 11.693 10.374 1.00 1.84 O ATOM 0 H TYR B 72 7.053 12.821 2.378 1.00 0.86 H new ATOM 0 HA TYR B 72 8.861 12.353 4.572 1.00 0.86 H new ATOM 0 HB2 TYR B 72 6.992 13.877 4.822 1.00 0.92 H new ATOM 0 HB3 TYR B 72 5.847 12.649 4.318 1.00 0.92 H new ATOM 0 HD1 TYR B 72 8.603 12.808 6.914 1.00 2.18 H new ATOM 0 HD2 TYR B 72 4.508 11.816 6.026 1.00 1.56 H new ATOM 0 HE1 TYR B 72 8.207 12.328 9.317 1.00 2.44 H new ATOM 0 HE2 TYR B 72 4.111 11.317 8.430 1.00 1.58 H new ATOM 0 HH TYR B 72 4.939 11.432 10.508 1.00 1.84 H new ATOM 2676 N SER B 73 6.814 9.907 3.706 1.00 0.92 N ATOM 2677 CA SER B 73 6.615 8.464 3.797 1.00 0.96 C ATOM 2678 C SER B 73 7.842 7.705 3.299 1.00 1.01 C ATOM 2679 O SER B 73 8.276 6.778 3.996 1.00 1.06 O ATOM 2680 CB SER B 73 5.354 8.049 3.050 1.00 0.96 C ATOM 2681 OG SER B 73 5.462 8.253 1.660 1.00 1.19 O ATOM 0 H SER B 73 6.155 10.378 3.087 1.00 0.92 H new ATOM 0 HA SER B 73 6.481 8.203 4.847 1.00 0.96 H new ATOM 0 HB2 SER B 73 5.149 6.996 3.245 1.00 0.96 H new ATOM 0 HB3 SER B 73 4.505 8.615 3.433 1.00 0.96 H new ATOM 0 HG SER B 73 4.697 7.839 1.208 1.00 1.19 H new ATOM 2687 N VAL B 74 8.460 8.118 2.182 1.00 1.01 N ATOM 2688 CA VAL B 74 9.708 7.498 1.723 1.00 1.07 C ATOM 2689 C VAL B 74 10.899 7.824 2.613 1.00 1.04 C ATOM 2690 O VAL B 74 11.758 6.966 2.725 1.00 1.05 O ATOM 2691 CB VAL B 74 10.091 7.760 0.257 1.00 1.10 C ATOM 2692 CG1 VAL B 74 8.958 7.331 -0.672 1.00 1.18 C ATOM 2693 CG2 VAL B 74 10.568 9.180 -0.052 1.00 1.04 C ATOM 0 H VAL B 74 8.118 8.872 1.586 1.00 1.01 H new ATOM 0 HA VAL B 74 9.470 6.437 1.796 1.00 1.07 H new ATOM 0 HB VAL B 74 10.970 7.143 0.072 1.00 1.10 H new ATOM 0 HG11 VAL B 74 9.243 7.522 -1.706 1.00 1.18 H new ATOM 0 HG12 VAL B 74 8.763 6.267 -0.540 1.00 1.18 H new ATOM 0 HG13 VAL B 74 8.058 7.897 -0.433 1.00 1.18 H new ATOM 0 HG21 VAL B 74 10.813 9.259 -1.111 1.00 1.04 H new ATOM 0 HG22 VAL B 74 9.778 9.890 0.192 1.00 1.04 H new ATOM 0 HG23 VAL B 74 11.454 9.404 0.543 1.00 1.04 H new ATOM 2703 N PHE B 75 10.964 8.980 3.284 1.00 1.03 N ATOM 2704 CA PHE B 75 12.038 9.252 4.243 1.00 1.06 C ATOM 2705 C PHE B 75 11.917 8.311 5.438 1.00 1.04 C ATOM 2706 O PHE B 75 12.874 7.599 5.714 1.00 1.02 O ATOM 2707 CB PHE B 75 12.006 10.716 4.707 1.00 1.16 C ATOM 2708 CG PHE B 75 13.341 11.313 5.080 1.00 0.89 C ATOM 2709 CD1 PHE B 75 14.090 10.829 6.168 1.00 2.14 C ATOM 2710 CD2 PHE B 75 13.817 12.404 4.330 1.00 1.35 C ATOM 2711 CE1 PHE B 75 15.310 11.443 6.508 1.00 1.99 C ATOM 2712 CE2 PHE B 75 15.021 13.021 4.677 1.00 1.43 C ATOM 2713 CZ PHE B 75 15.770 12.552 5.771 1.00 0.63 C ATOM 0 H PHE B 75 10.289 9.738 3.181 1.00 1.03 H new ATOM 0 HA PHE B 75 12.994 9.079 3.749 1.00 1.06 H new ATOM 0 HB2 PHE B 75 11.568 11.320 3.913 1.00 1.16 H new ATOM 0 HB3 PHE B 75 11.342 10.791 5.568 1.00 1.16 H new ATOM 0 HD1 PHE B 75 13.730 9.988 6.741 1.00 2.14 H new ATOM 0 HD2 PHE B 75 13.250 12.765 3.484 1.00 1.35 H new ATOM 0 HE1 PHE B 75 15.894 11.064 7.334 1.00 1.99 H new ATOM 0 HE2 PHE B 75 15.379 13.863 4.102 1.00 1.43 H new ATOM 0 HZ PHE B 75 16.694 13.040 6.045 1.00 0.63 H new ATOM 2723 N LEU B 76 10.748 8.233 6.094 1.00 1.06 N ATOM 2724 CA LEU B 76 10.503 7.284 7.187 1.00 1.05 C ATOM 2725 C LEU B 76 10.782 5.842 6.747 1.00 1.01 C ATOM 2726 O LEU B 76 11.417 5.089 7.479 1.00 1.04 O ATOM 2727 CB LEU B 76 9.041 7.398 7.663 1.00 1.05 C ATOM 2728 CG LEU B 76 8.686 8.660 8.479 1.00 1.05 C ATOM 2729 CD1 LEU B 76 7.179 8.617 8.760 1.00 1.42 C ATOM 2730 CD2 LEU B 76 9.465 8.732 9.801 1.00 1.48 C ATOM 0 H LEU B 76 9.947 8.827 5.880 1.00 1.06 H new ATOM 0 HA LEU B 76 11.180 7.533 8.004 1.00 1.05 H new ATOM 0 HB2 LEU B 76 8.392 7.362 6.788 1.00 1.05 H new ATOM 0 HB3 LEU B 76 8.809 6.522 8.268 1.00 1.05 H new ATOM 0 HG LEU B 76 8.959 9.547 7.907 1.00 1.05 H new ATOM 0 HD11 LEU B 76 6.891 9.496 9.337 1.00 1.42 H new ATOM 0 HD12 LEU B 76 6.633 8.607 7.817 1.00 1.42 H new ATOM 0 HD13 LEU B 76 6.940 7.717 9.327 1.00 1.42 H new ATOM 0 HD21 LEU B 76 9.183 9.636 10.341 1.00 1.48 H new ATOM 0 HD22 LEU B 76 9.231 7.858 10.409 1.00 1.48 H new ATOM 0 HD23 LEU B 76 10.535 8.753 9.592 1.00 1.48 H new ATOM 2742 N THR B 77 10.371 5.473 5.528 1.00 0.97 N ATOM 2743 CA THR B 77 10.586 4.139 4.951 1.00 0.95 C ATOM 2744 C THR B 77 12.065 3.853 4.721 1.00 1.00 C ATOM 2745 O THR B 77 12.562 2.818 5.152 1.00 1.04 O ATOM 2746 CB THR B 77 9.790 4.008 3.655 1.00 0.92 C ATOM 2747 OG1 THR B 77 8.432 4.133 3.989 1.00 0.92 O ATOM 2748 CG2 THR B 77 10.042 2.668 2.979 1.00 0.93 C ATOM 0 H THR B 77 9.870 6.104 4.903 1.00 0.97 H new ATOM 0 HA THR B 77 10.231 3.395 5.663 1.00 0.95 H new ATOM 0 HB THR B 77 10.097 4.781 2.951 1.00 0.92 H new ATOM 0 HG1 THR B 77 8.251 5.049 4.287 1.00 0.92 H new ATOM 0 HG21 THR B 77 9.459 2.609 2.060 1.00 0.93 H new ATOM 0 HG22 THR B 77 11.102 2.573 2.744 1.00 0.93 H new ATOM 0 HG23 THR B 77 9.745 1.861 3.649 1.00 0.93 H new ATOM 2756 N MET B 78 12.781 4.777 4.080 1.00 0.99 N ATOM 2757 CA MET B 78 14.234 4.738 3.885 1.00 1.06 C ATOM 2758 C MET B 78 14.960 4.633 5.230 1.00 1.13 C ATOM 2759 O MET B 78 15.882 3.842 5.379 1.00 1.23 O ATOM 2760 CB MET B 78 14.650 6.015 3.134 1.00 1.10 C ATOM 2761 CG MET B 78 16.056 5.961 2.545 1.00 1.17 C ATOM 2762 SD MET B 78 16.098 5.410 0.822 1.00 2.19 S ATOM 2763 CE MET B 78 15.743 7.028 0.075 1.00 1.98 C ATOM 0 H MET B 78 12.351 5.604 3.666 1.00 0.99 H new ATOM 0 HA MET B 78 14.509 3.859 3.302 1.00 1.06 H new ATOM 0 HB2 MET B 78 13.938 6.199 2.330 1.00 1.10 H new ATOM 0 HB3 MET B 78 14.586 6.862 3.817 1.00 1.10 H new ATOM 0 HG2 MET B 78 16.508 6.951 2.612 1.00 1.17 H new ATOM 0 HG3 MET B 78 16.668 5.290 3.148 1.00 1.17 H new ATOM 0 HE1 MET B 78 15.719 6.930 -1.010 1.00 1.98 H new ATOM 0 HE2 MET B 78 14.777 7.388 0.428 1.00 1.98 H new ATOM 0 HE3 MET B 78 16.520 7.738 0.359 1.00 1.98 H new ATOM 2773 N LEU B 79 14.511 5.398 6.223 1.00 1.12 N ATOM 2774 CA LEU B 79 15.104 5.475 7.547 1.00 1.13 C ATOM 2775 C LEU B 79 14.839 4.227 8.399 1.00 1.21 C ATOM 2776 O LEU B 79 15.744 3.784 9.097 1.00 1.36 O ATOM 2777 CB LEU B 79 14.581 6.773 8.176 1.00 1.04 C ATOM 2778 CG LEU B 79 15.205 7.176 9.514 1.00 1.49 C ATOM 2779 CD1 LEU B 79 16.725 7.027 9.533 1.00 1.51 C ATOM 2780 CD2 LEU B 79 14.888 8.661 9.746 1.00 2.18 C ATOM 0 H LEU B 79 13.695 6.001 6.119 1.00 1.12 H new ATOM 0 HA LEU B 79 16.192 5.499 7.483 1.00 1.13 H new ATOM 0 HB2 LEU B 79 14.739 7.585 7.466 1.00 1.04 H new ATOM 0 HB3 LEU B 79 13.504 6.676 8.316 1.00 1.04 H new ATOM 0 HG LEU B 79 14.793 6.521 10.282 1.00 1.49 H new ATOM 0 HD11 LEU B 79 17.108 7.328 10.508 1.00 1.51 H new ATOM 0 HD12 LEU B 79 16.991 5.987 9.344 1.00 1.51 H new ATOM 0 HD13 LEU B 79 17.162 7.659 8.760 1.00 1.51 H new ATOM 0 HD21 LEU B 79 15.320 8.981 10.694 1.00 2.18 H new ATOM 0 HD22 LEU B 79 15.311 9.254 8.936 1.00 2.18 H new ATOM 0 HD23 LEU B 79 13.808 8.802 9.773 1.00 2.18 H new ATOM 2792 N CYS B 80 13.661 3.614 8.268 1.00 1.14 N ATOM 2793 CA CYS B 80 13.354 2.311 8.853 1.00 1.17 C ATOM 2794 C CYS B 80 14.200 1.191 8.223 1.00 1.22 C ATOM 2795 O CYS B 80 14.841 0.419 8.933 1.00 1.26 O ATOM 2796 CB CYS B 80 11.839 2.083 8.737 1.00 1.19 C ATOM 2797 SG CYS B 80 11.380 0.558 9.602 1.00 1.27 S ATOM 0 H CYS B 80 12.883 4.016 7.745 1.00 1.14 H new ATOM 0 HA CYS B 80 13.624 2.292 9.909 1.00 1.17 H new ATOM 0 HB2 CYS B 80 11.301 2.930 9.163 1.00 1.19 H new ATOM 0 HB3 CYS B 80 11.551 2.018 7.688 1.00 1.19 H new ATOM 0 HG CYS B 80 10.227 0.143 9.167 1.00 1.27 H new ATOM 2803 N MET B 81 14.284 1.129 6.885 1.00 1.26 N ATOM 2804 CA MET B 81 15.106 0.109 6.215 1.00 1.38 C ATOM 2805 C MET B 81 16.612 0.335 6.390 1.00 1.36 C ATOM 2806 O MET B 81 17.374 -0.626 6.298 1.00 1.49 O ATOM 2807 CB MET B 81 14.624 -0.171 4.781 1.00 1.61 C ATOM 2808 CG MET B 81 14.823 0.939 3.739 1.00 1.90 C ATOM 2809 SD MET B 81 16.463 1.151 2.991 1.00 3.02 S ATOM 2810 CE MET B 81 16.803 -0.550 2.463 1.00 2.94 C ATOM 0 H MET B 81 13.799 1.765 6.252 1.00 1.26 H new ATOM 0 HA MET B 81 14.947 -0.836 6.735 1.00 1.38 H new ATOM 0 HB2 MET B 81 15.135 -1.065 4.423 1.00 1.61 H new ATOM 0 HB3 MET B 81 13.561 -0.407 4.823 1.00 1.61 H new ATOM 0 HG2 MET B 81 14.112 0.765 2.932 1.00 1.90 H new ATOM 0 HG3 MET B 81 14.549 1.884 4.207 1.00 1.90 H new ATOM 0 HE1 MET B 81 17.600 -0.548 1.719 1.00 2.94 H new ATOM 0 HE2 MET B 81 17.112 -1.143 3.324 1.00 2.94 H new ATOM 0 HE3 MET B 81 15.902 -0.983 2.028 1.00 2.94 H new ATOM 2820 N ALA B 82 17.022 1.550 6.786 1.00 1.32 N ATOM 2821 CA ALA B 82 18.361 1.866 7.284 1.00 1.49 C ATOM 2822 C ALA B 82 18.740 1.215 8.643 1.00 1.58 C ATOM 2823 O ALA B 82 19.823 1.513 9.156 1.00 1.83 O ATOM 2824 CB ALA B 82 18.564 3.388 7.279 1.00 1.49 C ATOM 0 H ALA B 82 16.407 2.363 6.766 1.00 1.32 H new ATOM 0 HA ALA B 82 19.064 1.402 6.592 1.00 1.49 H new ATOM 0 HB1 ALA B 82 19.562 3.623 7.650 1.00 1.49 H new ATOM 0 HB2 ALA B 82 18.456 3.766 6.262 1.00 1.49 H new ATOM 0 HB3 ALA B 82 17.818 3.857 7.921 1.00 1.49 H new ATOM 2830 N TYR B 83 17.882 0.362 9.218 1.00 1.51 N ATOM 2831 CA TYR B 83 18.182 -0.550 10.341 1.00 1.64 C ATOM 2832 C TYR B 83 17.409 -1.896 10.287 1.00 1.60 C ATOM 2833 O TYR B 83 17.373 -2.642 11.267 1.00 2.07 O ATOM 2834 CB TYR B 83 18.002 0.190 11.680 1.00 2.02 C ATOM 2835 CG TYR B 83 16.633 0.798 11.926 1.00 2.10 C ATOM 2836 CD1 TYR B 83 15.560 -0.005 12.357 1.00 3.32 C ATOM 2837 CD2 TYR B 83 16.434 2.179 11.734 1.00 1.85 C ATOM 2838 CE1 TYR B 83 14.287 0.558 12.566 1.00 3.45 C ATOM 2839 CE2 TYR B 83 15.177 2.760 11.969 1.00 2.00 C ATOM 2840 CZ TYR B 83 14.092 1.946 12.375 1.00 2.41 C ATOM 2841 OH TYR B 83 12.859 2.503 12.526 1.00 2.62 O ATOM 0 H TYR B 83 16.915 0.282 8.902 1.00 1.51 H new ATOM 0 HA TYR B 83 19.227 -0.845 10.246 1.00 1.64 H new ATOM 0 HB2 TYR B 83 18.219 -0.507 12.489 1.00 2.02 H new ATOM 0 HB3 TYR B 83 18.746 0.985 11.736 1.00 2.02 H new ATOM 0 HD1 TYR B 83 15.715 -1.060 12.528 1.00 3.32 H new ATOM 0 HD2 TYR B 83 17.256 2.797 11.403 1.00 1.85 H new ATOM 0 HE1 TYR B 83 13.462 -0.068 12.871 1.00 3.45 H new ATOM 0 HE2 TYR B 83 15.039 3.823 11.841 1.00 2.00 H new ATOM 0 HH TYR B 83 12.913 3.467 12.357 1.00 2.62 H new ATOM 2851 N ASN B 84 16.805 -2.248 9.141 1.00 1.36 N ATOM 2852 CA ASN B 84 16.129 -3.547 8.944 1.00 1.60 C ATOM 2853 C ASN B 84 17.042 -4.639 8.358 1.00 1.54 C ATOM 2854 O ASN B 84 16.574 -5.631 7.798 1.00 1.97 O ATOM 2855 CB ASN B 84 14.807 -3.390 8.167 1.00 1.84 C ATOM 2856 CG ASN B 84 13.702 -2.699 8.962 1.00 2.18 C ATOM 2857 OD1 ASN B 84 13.632 -2.754 10.179 1.00 2.88 O ATOM 2858 ND2 ASN B 84 12.763 -2.067 8.284 1.00 2.63 N ATOM 0 H ASN B 84 16.770 -1.641 8.322 1.00 1.36 H new ATOM 0 HA ASN B 84 15.873 -3.907 9.940 1.00 1.60 H new ATOM 0 HB2 ASN B 84 14.997 -2.821 7.257 1.00 1.84 H new ATOM 0 HB3 ASN B 84 14.458 -4.376 7.859 1.00 1.84 H new ATOM 0 HD21 ASN B 84 11.985 -1.629 8.777 1.00 2.63 H new ATOM 0 HD22 ASN B 84 12.815 -2.017 7.267 1.00 2.63 H new ATOM 2865 N ASP B 85 18.351 -4.523 8.585 1.00 1.75 N ATOM 2866 CA ASP B 85 19.301 -5.629 8.504 1.00 2.00 C ATOM 2867 C ASP B 85 18.926 -6.818 9.414 1.00 2.20 C ATOM 2868 O ASP B 85 19.330 -7.949 9.152 1.00 2.62 O ATOM 2869 CB ASP B 85 20.720 -5.103 8.795 1.00 2.71 C ATOM 2870 CG ASP B 85 20.777 -4.210 10.043 1.00 3.11 C ATOM 2871 OD1 ASP B 85 20.300 -3.056 9.930 1.00 3.97 O ATOM 2872 OD2 ASP B 85 21.240 -4.683 11.101 1.00 3.76 O ATOM 0 H ASP B 85 18.788 -3.636 8.836 1.00 1.75 H new ATOM 0 HA ASP B 85 19.268 -6.028 7.490 1.00 2.00 H new ATOM 0 HB2 ASP B 85 21.396 -5.948 8.927 1.00 2.71 H new ATOM 0 HB3 ASP B 85 21.078 -4.539 7.933 1.00 2.71 H new ATOM 2877 N PHE B 86 18.043 -6.588 10.392 1.00 2.30 N ATOM 2878 CA PHE B 86 17.351 -7.611 11.185 1.00 2.79 C ATOM 2879 C PHE B 86 16.426 -8.543 10.370 1.00 2.84 C ATOM 2880 O PHE B 86 16.102 -9.621 10.865 1.00 3.39 O ATOM 2881 CB PHE B 86 16.578 -6.904 12.312 1.00 3.16 C ATOM 2882 CG PHE B 86 17.459 -6.445 13.462 1.00 3.78 C ATOM 2883 CD1 PHE B 86 18.280 -5.308 13.329 1.00 4.64 C ATOM 2884 CD2 PHE B 86 17.478 -7.172 14.669 1.00 4.36 C ATOM 2885 CE1 PHE B 86 19.113 -4.905 14.385 1.00 5.47 C ATOM 2886 CE2 PHE B 86 18.308 -6.766 15.729 1.00 5.17 C ATOM 2887 CZ PHE B 86 19.127 -5.633 15.587 1.00 5.52 C ATOM 0 H PHE B 86 17.779 -5.641 10.665 1.00 2.30 H new ATOM 0 HA PHE B 86 18.111 -8.279 11.590 1.00 2.79 H new ATOM 0 HB2 PHE B 86 16.058 -6.041 11.897 1.00 3.16 H new ATOM 0 HB3 PHE B 86 15.816 -7.581 12.698 1.00 3.16 H new ATOM 0 HD1 PHE B 86 18.269 -4.743 12.409 1.00 4.64 H new ATOM 0 HD2 PHE B 86 16.852 -8.045 14.780 1.00 4.36 H new ATOM 0 HE1 PHE B 86 19.743 -4.035 14.273 1.00 5.47 H new ATOM 0 HE2 PHE B 86 18.316 -7.325 16.653 1.00 5.17 H new ATOM 0 HZ PHE B 86 19.766 -5.322 16.400 1.00 5.52 H new ATOM 2897 N PHE B 87 16.028 -8.195 9.137 1.00 2.48 N ATOM 2898 CA PHE B 87 15.431 -9.148 8.181 1.00 2.91 C ATOM 2899 C PHE B 87 16.479 -9.908 7.356 1.00 3.03 C ATOM 2900 O PHE B 87 16.132 -10.861 6.661 1.00 3.68 O ATOM 2901 CB PHE B 87 14.488 -8.420 7.205 1.00 3.19 C ATOM 2902 CG PHE B 87 13.178 -7.909 7.769 1.00 3.22 C ATOM 2903 CD1 PHE B 87 12.353 -8.742 8.551 1.00 4.40 C ATOM 2904 CD2 PHE B 87 12.731 -6.622 7.424 1.00 3.38 C ATOM 2905 CE1 PHE B 87 11.117 -8.269 9.021 1.00 5.19 C ATOM 2906 CE2 PHE B 87 11.490 -6.150 7.884 1.00 4.03 C ATOM 2907 CZ PHE B 87 10.686 -6.974 8.695 1.00 4.77 C ATOM 0 H PHE B 87 16.110 -7.246 8.772 1.00 2.48 H new ATOM 0 HA PHE B 87 14.882 -9.869 8.786 1.00 2.91 H new ATOM 0 HB2 PHE B 87 15.027 -7.573 6.780 1.00 3.19 H new ATOM 0 HB3 PHE B 87 14.261 -9.099 6.383 1.00 3.19 H new ATOM 0 HD1 PHE B 87 12.672 -9.746 8.789 1.00 4.40 H new ATOM 0 HD2 PHE B 87 13.346 -5.991 6.800 1.00 3.38 H new ATOM 0 HE1 PHE B 87 10.496 -8.904 9.635 1.00 5.19 H new ATOM 0 HE2 PHE B 87 11.154 -5.159 7.617 1.00 4.03 H new ATOM 0 HZ PHE B 87 9.739 -6.610 9.065 1.00 4.77 H new ATOM 2917 N LEU B 88 17.735 -9.453 7.350 1.00 2.58 N ATOM 2918 CA LEU B 88 18.744 -9.834 6.368 1.00 2.63 C ATOM 2919 C LEU B 88 19.719 -10.879 6.918 1.00 3.29 C ATOM 2920 O LEU B 88 19.297 -11.983 7.262 1.00 3.74 O ATOM 2921 CB LEU B 88 19.355 -8.567 5.727 1.00 2.08 C ATOM 2922 CG LEU B 88 18.317 -7.646 5.045 1.00 2.05 C ATOM 2923 CD1 LEU B 88 19.034 -6.601 4.181 1.00 3.04 C ATOM 2924 CD2 LEU B 88 17.322 -8.382 4.134 1.00 2.65 C ATOM 0 H LEU B 88 18.083 -8.794 8.046 1.00 2.58 H new ATOM 0 HA LEU B 88 18.286 -10.370 5.537 1.00 2.63 H new ATOM 0 HB2 LEU B 88 19.879 -8.000 6.496 1.00 2.08 H new ATOM 0 HB3 LEU B 88 20.099 -8.868 4.989 1.00 2.08 H new ATOM 0 HG LEU B 88 17.755 -7.196 5.863 1.00 2.05 H new ATOM 0 HD11 LEU B 88 18.297 -5.956 3.704 1.00 3.04 H new ATOM 0 HD12 LEU B 88 19.691 -5.999 4.809 1.00 3.04 H new ATOM 0 HD13 LEU B 88 19.625 -7.105 3.416 1.00 3.04 H new ATOM 0 HD21 LEU B 88 16.630 -7.663 3.696 1.00 2.65 H new ATOM 0 HD22 LEU B 88 17.866 -8.893 3.339 1.00 2.65 H new ATOM 0 HD23 LEU B 88 16.764 -9.112 4.720 1.00 2.65 H new ATOM 2936 N GLU B 89 21.004 -10.550 6.885 1.00 3.70 N ATOM 2937 CA GLU B 89 22.200 -11.397 6.704 1.00 4.50 C ATOM 2938 C GLU B 89 23.358 -10.575 6.089 1.00 4.43 C ATOM 2939 O GLU B 89 24.466 -11.094 5.968 1.00 5.17 O ATOM 2940 CB GLU B 89 21.917 -12.609 5.788 1.00 4.79 C ATOM 2941 CG GLU B 89 21.702 -13.932 6.525 1.00 5.80 C ATOM 2942 CD GLU B 89 21.235 -15.008 5.543 1.00 6.52 C ATOM 2943 OE1 GLU B 89 20.172 -14.838 4.892 1.00 6.37 O ATOM 2944 OE2 GLU B 89 21.955 -16.005 5.329 1.00 7.70 O ATOM 0 H GLU B 89 21.276 -9.573 6.996 1.00 3.70 H new ATOM 0 HA GLU B 89 22.479 -11.762 7.692 1.00 4.50 H new ATOM 0 HB2 GLU B 89 21.032 -12.395 5.188 1.00 4.79 H new ATOM 0 HB3 GLU B 89 22.751 -12.726 5.096 1.00 4.79 H new ATOM 0 HG2 GLU B 89 22.629 -14.245 7.006 1.00 5.80 H new ATOM 0 HG3 GLU B 89 20.961 -13.802 7.314 1.00 5.80 H new ATOM 2951 N ASP B 90 23.064 -9.343 5.634 1.00 3.98 N ATOM 2952 CA ASP B 90 23.901 -8.362 4.917 1.00 4.55 C ATOM 2953 C ASP B 90 23.992 -8.763 3.442 1.00 4.25 C ATOM 2954 O ASP B 90 23.527 -8.054 2.551 1.00 5.03 O ATOM 2955 CB ASP B 90 25.286 -8.174 5.567 1.00 6.05 C ATOM 2956 CG ASP B 90 26.123 -7.122 4.832 1.00 7.19 C ATOM 2957 OD1 ASP B 90 25.940 -5.920 5.127 1.00 8.21 O ATOM 2958 OD2 ASP B 90 26.962 -7.534 3.996 1.00 7.50 O ATOM 0 H ASP B 90 22.126 -8.968 5.776 1.00 3.98 H new ATOM 0 HA ASP B 90 23.426 -7.383 4.985 1.00 4.55 H new ATOM 0 HB2 ASP B 90 25.161 -7.876 6.608 1.00 6.05 H new ATOM 0 HB3 ASP B 90 25.818 -9.125 5.569 1.00 6.05 H new ATOM 2963 N ASN B 91 24.491 -9.976 3.208 1.00 3.87 N ATOM 2964 CA ASN B 91 24.596 -10.570 1.880 1.00 4.47 C ATOM 2965 C ASN B 91 23.227 -10.950 1.270 1.00 4.66 C ATOM 2966 O ASN B 91 23.096 -10.968 0.043 1.00 5.56 O ATOM 2967 CB ASN B 91 25.519 -11.795 2.010 1.00 5.47 C ATOM 2968 CG ASN B 91 25.814 -12.473 0.679 1.00 6.43 C ATOM 2969 OD1 ASN B 91 25.585 -13.661 0.499 1.00 7.23 O ATOM 2970 ND2 ASN B 91 26.339 -11.746 -0.289 1.00 7.00 N ATOM 0 H ASN B 91 24.839 -10.583 3.950 1.00 3.87 H new ATOM 0 HA ASN B 91 25.009 -9.837 1.187 1.00 4.47 H new ATOM 0 HB2 ASN B 91 26.459 -11.486 2.468 1.00 5.47 H new ATOM 0 HB3 ASN B 91 25.059 -12.518 2.684 1.00 5.47 H new ATOM 0 HD21 ASN B 91 26.555 -12.175 -1.189 1.00 7.00 H new ATOM 0 HD22 ASN B 91 26.529 -10.755 -0.137 1.00 7.00 H new ATOM 2977 N LYS B 92 22.237 -11.322 2.101 1.00 4.78 N ATOM 2978 CA LYS B 92 20.982 -11.993 1.698 1.00 6.34 C ATOM 2979 C LYS B 92 19.732 -11.524 2.441 1.00 7.14 C ATOM 2980 O LYS B 92 18.640 -11.844 1.941 1.00 8.02 O ATOM 2981 CB LYS B 92 21.149 -13.500 1.935 1.00 7.52 C ATOM 2982 CG LYS B 92 22.161 -14.166 0.988 1.00 8.14 C ATOM 2983 CD LYS B 92 22.800 -15.398 1.631 1.00 8.71 C ATOM 2984 CE LYS B 92 21.830 -16.583 1.711 1.00 10.11 C ATOM 2985 NZ LYS B 92 20.980 -16.547 2.923 1.00 10.20 N ATOM 2986 OXT LYS B 92 19.826 -11.053 3.597 1.00 7.54 O ATOM 0 H LYS B 92 22.288 -11.159 3.107 1.00 4.78 H new ATOM 0 HA LYS B 92 20.822 -11.739 0.650 1.00 6.34 H new ATOM 0 HB2 LYS B 92 21.466 -13.664 2.965 1.00 7.52 H new ATOM 0 HB3 LYS B 92 20.181 -13.987 1.818 1.00 7.52 H new ATOM 0 HG2 LYS B 92 21.661 -14.454 0.063 1.00 8.14 H new ATOM 0 HG3 LYS B 92 22.937 -13.449 0.720 1.00 8.14 H new ATOM 0 HD2 LYS B 92 23.679 -15.690 1.057 1.00 8.71 H new ATOM 0 HD3 LYS B 92 23.144 -15.144 2.634 1.00 8.71 H new ATOM 0 HE2 LYS B 92 21.193 -16.586 0.826 1.00 10.11 H new ATOM 0 HE3 LYS B 92 22.398 -17.513 1.698 1.00 10.11 H new ATOM 0 HZ1 LYS B 92 20.266 -17.301 2.868 1.00 10.20 H new ATOM 0 HZ2 LYS B 92 21.571 -16.691 3.766 1.00 10.20 H new ATOM 0 HZ3 LYS B 92 20.505 -15.624 2.987 1.00 10.20 H new TER 3000 LYS B 92