USER MOD reduce.3.24.130724 H: found=0, std=0, add=1514, rem=0, adj=76 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 -140:sc= -0.466 USER MOD Set 1.2: B 84 ASN : amide:sc= 0.157 K(o=-0.31,f=-3!) USER MOD Set 2.1: B 62 ASN : amide:sc= 0.999 K(o=1.8,f=0) USER MOD Set 2.2: B 65 GLN : amide:sc= 0.846 K(o=1.8,f=-0.35) USER MOD Set 3.1: B 25 SER OG : rot -97:sc= 1.28 USER MOD Set 3.2: B 28 THR OG1 : rot 77:sc= 1.81 USER MOD Set 4.1: B 15 THR OG1 : rot 29:sc= 1.01 USER MOD Set 4.2: B 72 TYR OH : rot 180:sc= -0.262 USER MOD Set 5.1: B 7 LYS NZ :NH3+ -171:sc= 1.09 (180deg=0) USER MOD Set 5.2: B 11 THR OG1 : rot 80:sc= 2.19 USER MOD Set 6.1: A 77 THR OG1 : rot 76:sc= 1.15 USER MOD Set 6.2: B 73 SER OG : rot -23:sc= 0.312 USER MOD Set 7.1: A 73 SER OG : rot -169:sc= 0.633 USER MOD Set 7.2: B 77 THR OG1 : rot 81:sc= 1.92 USER MOD Set 8.1: A 47 MET CE :methyl 164:sc= -3.65 (180deg=-4.55!) USER MOD Set 8.2: A 80 CYS SG : rot -123:sc= 0.154 USER MOD Set 8.3: A 83 TYR OH : rot 52:sc= 0.115 USER MOD Set 8.4: A 84 ASN : amide:sc= 0.143 K(o=-3.2,f=-4) USER MOD Set 9.1: A 39 LYS NZ :NH3+ 169:sc= 2.23 (180deg=1.42) USER MOD Set 9.2: A 43 CYS SG : rot 104:sc= 0.185 USER MOD Set10.1: A 15 THR OG1 : rot -77:sc= 1.04 USER MOD Set10.2: A 72 TYR OH : rot 120:sc= 0.213 USER MOD Set11.1: A 7 LYS NZ :NH3+ 154:sc= 2.3 (180deg=1.51) USER MOD Set11.2: A 10 THR OG1 : rot -53:sc= 1.42 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 1.12 (180deg=0.817) USER MOD Single : A 3 THR OG1 : rot 90:sc= 1.54 USER MOD Single : A 11 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 12 MET CE :methyl 159:sc= -0.0674 (180deg=-0.994) USER MOD Single : A 14 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 17 HIS : no HE2:sc= -0.858 K(o=-0.86,f=-3.2) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0589) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -113:sc= 1.25 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -175:sc= 1.94 (180deg=1.74) USER MOD Single : A 28 THR OG1 : rot 146:sc= 1.32 USER MOD Single : A 30 SER OG : rot 102:sc= 1.28 USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= 0.194 (180deg=0.061) USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 1.32 (180deg=1.27) USER MOD Single : A 40 LYS NZ :NH3+ -161:sc= 1.27 (180deg=1.03) USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= 1.84 (180deg=0.217) USER MOD Single : A 50 SER OG : rot 180:sc= 0.248 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 174:sc=-0.000683 (180deg=-0.033) USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= 1.54 (180deg=1.3) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -146:sc= 0.863 (180deg=-0.397) USER MOD Single : A 62 ASN : amide:sc= 0.687 K(o=0.69,f=0) USER MOD Single : A 63 SER OG : rot 15:sc= 1.05 USER MOD Single : A 65 GLN : amide:sc= 0.993 K(o=0.99,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -143:sc= -0.134 (180deg=-1.35!) USER MOD Single : A 78 MET CE :methyl 167:sc= -0.215 (180deg=-0.336) USER MOD Single : A 81 MET CE :methyl 158:sc= -0.24 (180deg=-0.87) USER MOD Single : A 91 ASN : amide:sc= 0.305 K(o=0.3,f=-0.26) USER MOD Single : A 92 LYS NZ :NH3+ 162:sc= -0.0103 (180deg=-0.184) USER MOD Single : B 1 MET CE :methyl -146:sc= -0.638 (180deg=-1.83!) USER MOD Single : B 1 MET N :NH3+ -140:sc= 3.01 (180deg=-2.02) USER MOD Single : B 3 THR OG1 : rot 120:sc= 1.66 USER MOD Single : B 10 THR OG1 : rot -126:sc= 0.855 USER MOD Single : B 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 14 THR OG1 : rot 36:sc= 0.993 USER MOD Single : B 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 18 LYS NZ :NH3+ -158:sc= 1.03 (180deg=-0.602!) USER MOD Single : B 19 TYR OH : rot 150:sc= 0 USER MOD Single : B 20 SER OG : rot -37:sc= 0.861 USER MOD Single : B 26 LYS NZ :NH3+ 178:sc= 1.43 (180deg=1.31) USER MOD Single : B 30 SER OG : rot 180:sc= 0.493 USER MOD Single : B 32 LYS NZ :NH3+ 162:sc= 0.948! (180deg=0.758) USER MOD Single : B 35 LYS NZ :NH3+ 171:sc= 0.519 (180deg=0.327) USER MOD Single : B 39 LYS NZ :NH3+ -117:sc= 1.1 (180deg=-0.577!) USER MOD Single : B 40 LYS NZ :NH3+ -134:sc= 0.36 (180deg=-1.01) USER MOD Single : B 43 CYS SG : rot 180:sc= -0.383 USER MOD Single : B 47 MET CE :methyl -168:sc= -0.268 (180deg=-0.677) USER MOD Single : B 48 LYS NZ :NH3+ -175:sc= 0.214 (180deg=0.109) USER MOD Single : B 50 SER OG : rot 48:sc= 1.21 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 173:sc= 0.379 (180deg=0.314) USER MOD Single : B 58 SER OG : rot 180:sc= 0.405 USER MOD Single : B 61 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.03) USER MOD Single : B 63 SER OG : rot 96:sc= 0.841 USER MOD Single : B 70 LYS NZ :NH3+ -143:sc= 1.18 (180deg=-0.741) USER MOD Single : B 78 MET CE :methyl 162:sc= -0.0137 (180deg=-0.288) USER MOD Single : B 81 MET CE :methyl -128:sc=-0.00242 (180deg=-0.287) USER MOD Single : B 83 TYR OH : rot -80:sc= -1.47! USER MOD Single : B 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 92 LYS NZ :NH3+ 179:sc= 0.238! (180deg=0.105!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.681 1.052 24.055 1.00 7.08 N ATOM 2 CA MET A 1 6.169 2.002 23.047 1.00 6.21 C ATOM 3 C MET A 1 7.088 3.206 23.044 1.00 4.27 C ATOM 4 O MET A 1 7.414 3.698 24.115 1.00 4.72 O ATOM 5 CB MET A 1 4.712 2.423 23.257 1.00 7.94 C ATOM 6 CG MET A 1 3.752 1.271 22.941 1.00 9.40 C ATOM 7 SD MET A 1 2.019 1.782 22.816 1.00 11.47 S ATOM 8 CE MET A 1 1.413 1.350 24.473 1.00 12.79 C ATOM 0 H1 MET A 1 5.939 0.363 24.291 1.00 7.08 H new ATOM 0 H2 MET A 1 7.509 0.552 23.672 1.00 7.08 H new ATOM 0 H3 MET A 1 6.957 1.571 24.913 1.00 7.08 H new ATOM 0 HA MET A 1 6.167 1.498 22.081 1.00 6.21 H new ATOM 0 HB2 MET A 1 4.569 2.747 24.288 1.00 7.94 H new ATOM 0 HB3 MET A 1 4.482 3.277 22.620 1.00 7.94 H new ATOM 0 HG2 MET A 1 4.053 0.806 22.002 1.00 9.40 H new ATOM 0 HG3 MET A 1 3.843 0.511 23.717 1.00 9.40 H new ATOM 0 HE1 MET A 1 0.356 1.606 24.552 1.00 12.79 H new ATOM 0 HE2 MET A 1 1.541 0.280 24.640 1.00 12.79 H new ATOM 0 HE3 MET A 1 1.978 1.904 25.223 1.00 12.79 H new ATOM 17 N GLU A 2 7.547 3.595 21.859 1.00 2.80 N ATOM 18 CA GLU A 2 8.814 4.308 21.677 1.00 1.35 C ATOM 19 C GLU A 2 8.557 5.721 21.142 1.00 1.21 C ATOM 20 O GLU A 2 9.065 6.695 21.691 1.00 2.26 O ATOM 21 CB GLU A 2 9.691 3.508 20.683 1.00 2.40 C ATOM 22 CG GLU A 2 9.990 2.037 21.060 1.00 3.36 C ATOM 23 CD GLU A 2 8.737 1.155 21.148 1.00 3.86 C ATOM 24 OE1 GLU A 2 7.813 1.323 20.316 1.00 4.44 O ATOM 25 OE2 GLU A 2 8.526 0.512 22.195 1.00 4.52 O ATOM 0 H GLU A 2 7.047 3.424 20.986 1.00 2.80 H new ATOM 0 HA GLU A 2 9.328 4.398 22.634 1.00 1.35 H new ATOM 0 HB2 GLU A 2 9.201 3.518 19.710 1.00 2.40 H new ATOM 0 HB3 GLU A 2 10.640 4.031 20.567 1.00 2.40 H new ATOM 0 HG2 GLU A 2 10.671 1.613 20.321 1.00 3.36 H new ATOM 0 HG3 GLU A 2 10.507 2.015 22.019 1.00 3.36 H new ATOM 32 N THR A 3 7.730 5.824 20.088 1.00 0.88 N ATOM 33 CA THR A 3 7.329 7.048 19.373 1.00 0.72 C ATOM 34 C THR A 3 6.001 6.782 18.656 1.00 0.83 C ATOM 35 O THR A 3 5.715 5.617 18.358 1.00 0.99 O ATOM 36 CB THR A 3 8.404 7.575 18.390 1.00 0.88 C ATOM 37 OG1 THR A 3 7.951 7.583 17.054 1.00 1.22 O ATOM 38 CG2 THR A 3 9.737 6.828 18.412 1.00 1.72 C ATOM 0 H THR A 3 7.293 4.995 19.684 1.00 0.88 H new ATOM 0 HA THR A 3 7.210 7.842 20.110 1.00 0.72 H new ATOM 0 HB THR A 3 8.579 8.587 18.756 1.00 0.88 H new ATOM 0 HG1 THR A 3 7.529 8.445 16.857 1.00 1.22 H new ATOM 0 HG21 THR A 3 10.417 7.276 17.688 1.00 1.72 H new ATOM 0 HG22 THR A 3 10.174 6.892 19.409 1.00 1.72 H new ATOM 0 HG23 THR A 3 9.572 5.782 18.155 1.00 1.72 H new ATOM 46 N PRO A 4 5.186 7.815 18.364 1.00 0.99 N ATOM 47 CA PRO A 4 3.900 7.623 17.715 1.00 1.20 C ATOM 48 C PRO A 4 4.044 7.228 16.243 1.00 1.02 C ATOM 49 O PRO A 4 3.395 6.262 15.839 1.00 1.04 O ATOM 50 CB PRO A 4 3.150 8.952 17.894 1.00 1.55 C ATOM 51 CG PRO A 4 4.270 9.989 18.000 1.00 1.53 C ATOM 52 CD PRO A 4 5.380 9.217 18.716 1.00 1.22 C ATOM 0 HA PRO A 4 3.350 6.795 18.162 1.00 1.20 H new ATOM 0 HB2 PRO A 4 2.492 9.158 17.049 1.00 1.55 H new ATOM 0 HB3 PRO A 4 2.527 8.943 18.788 1.00 1.55 H new ATOM 0 HG2 PRO A 4 4.590 10.341 17.019 1.00 1.53 H new ATOM 0 HG3 PRO A 4 3.957 10.866 18.567 1.00 1.53 H new ATOM 0 HD2 PRO A 4 6.363 9.566 18.401 1.00 1.22 H new ATOM 0 HD3 PRO A 4 5.321 9.360 19.795 1.00 1.22 H new ATOM 60 N LEU A 5 4.908 7.891 15.454 1.00 0.92 N ATOM 61 CA LEU A 5 5.118 7.481 14.060 1.00 0.83 C ATOM 62 C LEU A 5 5.723 6.087 13.992 1.00 0.81 C ATOM 63 O LEU A 5 5.294 5.291 13.164 1.00 0.92 O ATOM 64 CB LEU A 5 6.005 8.474 13.289 1.00 0.92 C ATOM 65 CG LEU A 5 6.082 8.221 11.758 1.00 1.10 C ATOM 66 CD1 LEU A 5 6.751 6.928 11.268 1.00 2.62 C ATOM 67 CD2 LEU A 5 4.705 8.371 11.099 1.00 2.75 C ATOM 0 H LEU A 5 5.460 8.695 15.752 1.00 0.92 H new ATOM 0 HA LEU A 5 4.138 7.471 13.584 1.00 0.83 H new ATOM 0 HB2 LEU A 5 5.630 9.483 13.458 1.00 0.92 H new ATOM 0 HB3 LEU A 5 7.013 8.436 13.701 1.00 0.92 H new ATOM 0 HG LEU A 5 6.771 9.003 11.439 1.00 1.10 H new ATOM 0 HD11 LEU A 5 6.727 6.896 10.179 1.00 2.62 H new ATOM 0 HD12 LEU A 5 7.786 6.902 11.609 1.00 2.62 H new ATOM 0 HD13 LEU A 5 6.215 6.067 11.668 1.00 2.62 H new ATOM 0 HD21 LEU A 5 4.792 8.188 10.028 1.00 2.75 H new ATOM 0 HD22 LEU A 5 4.013 7.651 11.535 1.00 2.75 H new ATOM 0 HD23 LEU A 5 4.330 9.381 11.265 1.00 2.75 H new ATOM 79 N GLU A 6 6.670 5.771 14.878 1.00 0.81 N ATOM 80 CA GLU A 6 7.284 4.450 14.927 1.00 0.93 C ATOM 81 C GLU A 6 6.198 3.368 14.989 1.00 0.99 C ATOM 82 O GLU A 6 6.284 2.392 14.264 1.00 1.09 O ATOM 83 CB GLU A 6 8.290 4.416 16.088 1.00 1.11 C ATOM 84 CG GLU A 6 8.885 3.071 16.536 1.00 1.36 C ATOM 85 CD GLU A 6 9.003 2.001 15.452 1.00 2.39 C ATOM 86 OE1 GLU A 6 9.474 2.314 14.344 1.00 3.35 O ATOM 87 OE2 GLU A 6 8.553 0.870 15.764 1.00 3.61 O ATOM 0 H GLU A 6 7.029 6.422 15.576 1.00 0.81 H new ATOM 0 HA GLU A 6 7.849 4.237 14.019 1.00 0.93 H new ATOM 0 HB2 GLU A 6 9.121 5.067 15.819 1.00 1.11 H new ATOM 0 HB3 GLU A 6 7.803 4.863 16.955 1.00 1.11 H new ATOM 0 HG2 GLU A 6 9.877 3.254 16.949 1.00 1.36 H new ATOM 0 HG3 GLU A 6 8.271 2.675 17.345 1.00 1.36 H new ATOM 94 N LYS A 7 5.080 3.563 15.706 1.00 0.98 N ATOM 95 CA LYS A 7 4.028 2.537 15.711 1.00 1.07 C ATOM 96 C LYS A 7 3.247 2.436 14.383 1.00 1.04 C ATOM 97 O LYS A 7 2.686 1.372 14.098 1.00 1.15 O ATOM 98 CB LYS A 7 3.121 2.660 16.948 1.00 1.24 C ATOM 99 CG LYS A 7 3.799 2.773 18.335 1.00 1.45 C ATOM 100 CD LYS A 7 5.237 2.249 18.514 1.00 2.27 C ATOM 101 CE LYS A 7 5.443 0.766 18.147 1.00 2.98 C ATOM 102 NZ LYS A 7 6.874 0.429 17.940 1.00 4.01 N ATOM 0 H LYS A 7 4.885 4.390 16.270 1.00 0.98 H new ATOM 0 HA LYS A 7 4.539 1.577 15.791 1.00 1.07 H new ATOM 0 HB2 LYS A 7 2.488 3.537 16.813 1.00 1.24 H new ATOM 0 HB3 LYS A 7 2.462 1.792 16.967 1.00 1.24 H new ATOM 0 HG2 LYS A 7 3.796 3.826 18.617 1.00 1.45 H new ATOM 0 HG3 LYS A 7 3.167 2.249 19.053 1.00 1.45 H new ATOM 0 HD2 LYS A 7 5.907 2.855 17.903 1.00 2.27 H new ATOM 0 HD3 LYS A 7 5.534 2.395 19.553 1.00 2.27 H new ATOM 0 HE2 LYS A 7 5.035 0.138 18.939 1.00 2.98 H new ATOM 0 HE3 LYS A 7 4.884 0.538 17.240 1.00 2.98 H new ATOM 0 HZ1 LYS A 7 7.024 -0.582 18.132 1.00 4.01 H new ATOM 0 HZ2 LYS A 7 7.141 0.638 16.957 1.00 4.01 H new ATOM 0 HZ3 LYS A 7 7.461 0.995 18.586 1.00 4.01 H new ATOM 116 N ALA A 8 3.250 3.479 13.546 1.00 0.92 N ATOM 117 CA ALA A 8 2.875 3.386 12.134 1.00 0.82 C ATOM 118 C ALA A 8 3.896 2.526 11.379 1.00 0.73 C ATOM 119 O ALA A 8 3.512 1.489 10.841 1.00 0.79 O ATOM 120 CB ALA A 8 2.766 4.782 11.501 1.00 0.89 C ATOM 0 H ALA A 8 3.516 4.421 13.834 1.00 0.92 H new ATOM 0 HA ALA A 8 1.896 2.913 12.065 1.00 0.82 H new ATOM 0 HB1 ALA A 8 2.486 4.685 10.452 1.00 0.89 H new ATOM 0 HB2 ALA A 8 2.007 5.362 12.027 1.00 0.89 H new ATOM 0 HB3 ALA A 8 3.727 5.291 11.575 1.00 0.89 H new ATOM 126 N LEU A 9 5.182 2.901 11.378 1.00 0.73 N ATOM 127 CA LEU A 9 6.237 2.116 10.735 1.00 0.77 C ATOM 128 C LEU A 9 6.303 0.634 11.168 1.00 0.75 C ATOM 129 O LEU A 9 6.369 -0.221 10.279 1.00 0.72 O ATOM 130 CB LEU A 9 7.578 2.860 10.906 1.00 0.86 C ATOM 131 CG LEU A 9 8.299 3.176 9.586 1.00 0.97 C ATOM 132 CD1 LEU A 9 8.648 1.901 8.805 1.00 1.96 C ATOM 133 CD2 LEU A 9 7.514 4.132 8.670 1.00 1.58 C ATOM 0 H LEU A 9 5.517 3.756 11.823 1.00 0.73 H new ATOM 0 HA LEU A 9 5.993 2.040 9.675 1.00 0.77 H new ATOM 0 HB2 LEU A 9 7.397 3.793 11.440 1.00 0.86 H new ATOM 0 HB3 LEU A 9 8.237 2.258 11.531 1.00 0.86 H new ATOM 0 HG LEU A 9 9.217 3.682 9.885 1.00 0.97 H new ATOM 0 HD11 LEU A 9 9.156 2.169 7.879 1.00 1.96 H new ATOM 0 HD12 LEU A 9 9.302 1.272 9.409 1.00 1.96 H new ATOM 0 HD13 LEU A 9 7.734 1.355 8.572 1.00 1.96 H new ATOM 0 HD21 LEU A 9 8.083 4.310 7.757 1.00 1.58 H new ATOM 0 HD22 LEU A 9 6.552 3.686 8.417 1.00 1.58 H new ATOM 0 HD23 LEU A 9 7.350 5.078 9.186 1.00 1.58 H new ATOM 145 N THR A 10 6.180 0.293 12.467 1.00 0.78 N ATOM 146 CA THR A 10 6.103 -1.113 12.931 1.00 0.75 C ATOM 147 C THR A 10 4.966 -1.854 12.251 1.00 0.65 C ATOM 148 O THR A 10 5.184 -2.950 11.734 1.00 0.64 O ATOM 149 CB THR A 10 5.898 -1.311 14.440 1.00 0.92 C ATOM 150 OG1 THR A 10 6.224 -0.210 15.231 1.00 1.60 O ATOM 151 CG2 THR A 10 6.719 -2.505 14.909 1.00 1.13 C ATOM 0 H THR A 10 6.131 0.977 13.222 1.00 0.78 H new ATOM 0 HA THR A 10 7.086 -1.505 12.669 1.00 0.75 H new ATOM 0 HB THR A 10 4.827 -1.470 14.567 1.00 0.92 H new ATOM 0 HG1 THR A 10 7.136 0.084 15.023 1.00 1.60 H new ATOM 0 HG21 THR A 10 6.575 -2.647 15.980 1.00 1.13 H new ATOM 0 HG22 THR A 10 6.396 -3.400 14.377 1.00 1.13 H new ATOM 0 HG23 THR A 10 7.774 -2.323 14.706 1.00 1.13 H new ATOM 159 N THR A 11 3.764 -1.260 12.222 1.00 0.66 N ATOM 160 CA THR A 11 2.564 -1.833 11.579 1.00 0.63 C ATOM 161 C THR A 11 2.812 -2.053 10.091 1.00 0.57 C ATOM 162 O THR A 11 2.400 -3.074 9.543 1.00 0.57 O ATOM 163 CB THR A 11 1.340 -0.927 11.798 1.00 0.66 C ATOM 164 OG1 THR A 11 1.155 -0.698 13.177 1.00 0.90 O ATOM 165 CG2 THR A 11 0.039 -1.546 11.281 1.00 0.76 C ATOM 0 H THR A 11 3.592 -0.351 12.652 1.00 0.66 H new ATOM 0 HA THR A 11 2.356 -2.798 12.041 1.00 0.63 H new ATOM 0 HB THR A 11 1.545 -0.009 11.248 1.00 0.66 H new ATOM 0 HG1 THR A 11 1.757 0.016 13.474 1.00 0.90 H new ATOM 0 HG21 THR A 11 -0.788 -0.860 11.464 1.00 0.76 H new ATOM 0 HG22 THR A 11 0.125 -1.733 10.211 1.00 0.76 H new ATOM 0 HG23 THR A 11 -0.148 -2.486 11.800 1.00 0.76 H new ATOM 173 N MET A 12 3.543 -1.141 9.446 1.00 0.59 N ATOM 174 CA MET A 12 3.884 -1.238 8.023 1.00 0.58 C ATOM 175 C MET A 12 4.905 -2.344 7.758 1.00 0.59 C ATOM 176 O MET A 12 4.664 -3.187 6.898 1.00 0.59 O ATOM 177 CB MET A 12 4.359 0.115 7.478 1.00 0.65 C ATOM 178 CG MET A 12 3.211 1.126 7.451 1.00 1.04 C ATOM 179 SD MET A 12 3.688 2.765 6.853 1.00 1.24 S ATOM 180 CE MET A 12 2.916 2.752 5.217 1.00 0.72 C ATOM 0 H MET A 12 3.918 -0.308 9.899 1.00 0.59 H new ATOM 0 HA MET A 12 2.976 -1.511 7.485 1.00 0.58 H new ATOM 0 HB2 MET A 12 5.170 0.497 8.098 1.00 0.65 H new ATOM 0 HB3 MET A 12 4.759 -0.014 6.472 1.00 0.65 H new ATOM 0 HG2 MET A 12 2.413 0.738 6.818 1.00 1.04 H new ATOM 0 HG3 MET A 12 2.802 1.222 8.457 1.00 1.04 H new ATOM 0 HE1 MET A 12 2.785 3.776 4.868 1.00 0.72 H new ATOM 0 HE2 MET A 12 3.553 2.209 4.518 1.00 0.72 H new ATOM 0 HE3 MET A 12 1.944 2.262 5.277 1.00 0.72 H new ATOM 190 N VAL A 13 6.002 -2.435 8.522 1.00 0.65 N ATOM 191 CA VAL A 13 6.943 -3.563 8.367 1.00 0.71 C ATOM 192 C VAL A 13 6.292 -4.906 8.734 1.00 0.69 C ATOM 193 O VAL A 13 6.582 -5.909 8.085 1.00 0.72 O ATOM 194 CB VAL A 13 8.309 -3.376 9.076 1.00 0.80 C ATOM 195 CG1 VAL A 13 9.063 -2.160 8.510 1.00 0.85 C ATOM 196 CG2 VAL A 13 8.212 -3.254 10.598 1.00 0.81 C ATOM 0 H VAL A 13 6.260 -1.759 9.240 1.00 0.65 H new ATOM 0 HA VAL A 13 7.181 -3.577 7.303 1.00 0.71 H new ATOM 0 HB VAL A 13 8.864 -4.291 8.869 1.00 0.80 H new ATOM 0 HG11 VAL A 13 10.018 -2.052 9.025 1.00 0.85 H new ATOM 0 HG12 VAL A 13 9.240 -2.305 7.444 1.00 0.85 H new ATOM 0 HG13 VAL A 13 8.466 -1.260 8.659 1.00 0.85 H new ATOM 0 HG21 VAL A 13 9.210 -3.126 11.017 1.00 0.81 H new ATOM 0 HG22 VAL A 13 7.597 -2.392 10.855 1.00 0.81 H new ATOM 0 HG23 VAL A 13 7.760 -4.157 11.007 1.00 0.81 H new ATOM 206 N THR A 14 5.347 -4.923 9.687 1.00 0.66 N ATOM 207 CA THR A 14 4.593 -6.127 10.083 1.00 0.71 C ATOM 208 C THR A 14 3.680 -6.615 8.960 1.00 0.69 C ATOM 209 O THR A 14 3.689 -7.808 8.655 1.00 0.82 O ATOM 210 CB THR A 14 3.801 -5.865 11.368 1.00 0.76 C ATOM 211 OG1 THR A 14 4.721 -5.524 12.371 1.00 0.90 O ATOM 212 CG2 THR A 14 3.040 -7.093 11.865 1.00 1.14 C ATOM 0 H THR A 14 5.080 -4.090 10.212 1.00 0.66 H new ATOM 0 HA THR A 14 5.312 -6.923 10.280 1.00 0.71 H new ATOM 0 HB THR A 14 3.077 -5.079 11.152 1.00 0.76 H new ATOM 0 HG1 THR A 14 4.808 -4.549 12.417 1.00 0.90 H new ATOM 0 HG21 THR A 14 2.500 -6.842 12.778 1.00 1.14 H new ATOM 0 HG22 THR A 14 2.332 -7.416 11.102 1.00 1.14 H new ATOM 0 HG23 THR A 14 3.744 -7.899 12.071 1.00 1.14 H new ATOM 220 N THR A 15 2.924 -5.712 8.318 1.00 0.60 N ATOM 221 CA THR A 15 1.991 -6.047 7.226 1.00 0.60 C ATOM 222 C THR A 15 2.717 -6.397 5.940 1.00 0.59 C ATOM 223 O THR A 15 2.322 -7.364 5.297 1.00 0.69 O ATOM 224 CB THR A 15 0.956 -4.943 6.964 1.00 0.60 C ATOM 225 OG1 THR A 15 1.551 -3.673 6.990 1.00 1.17 O ATOM 226 CG2 THR A 15 -0.153 -4.986 8.010 1.00 0.90 C ATOM 0 H THR A 15 2.942 -4.717 8.543 1.00 0.60 H new ATOM 0 HA THR A 15 1.452 -6.930 7.569 1.00 0.60 H new ATOM 0 HB THR A 15 0.536 -5.122 5.974 1.00 0.60 H new ATOM 0 HG1 THR A 15 1.717 -3.409 7.919 1.00 1.17 H new ATOM 0 HG21 THR A 15 -0.876 -4.196 7.807 1.00 0.90 H new ATOM 0 HG22 THR A 15 -0.653 -5.954 7.971 1.00 0.90 H new ATOM 0 HG23 THR A 15 0.276 -4.839 9.001 1.00 0.90 H new ATOM 234 N PHE A 16 3.794 -5.692 5.592 1.00 0.56 N ATOM 235 CA PHE A 16 4.609 -6.006 4.418 1.00 0.58 C ATOM 236 C PHE A 16 5.324 -7.359 4.573 1.00 0.59 C ATOM 237 O PHE A 16 5.230 -8.218 3.693 1.00 0.57 O ATOM 238 CB PHE A 16 5.595 -4.847 4.216 1.00 0.62 C ATOM 239 CG PHE A 16 6.454 -4.934 2.970 1.00 0.63 C ATOM 240 CD1 PHE A 16 7.565 -5.791 2.934 1.00 1.90 C ATOM 241 CD2 PHE A 16 6.158 -4.132 1.851 1.00 2.09 C ATOM 242 CE1 PHE A 16 8.365 -5.857 1.785 1.00 1.89 C ATOM 243 CE2 PHE A 16 6.978 -4.176 0.709 1.00 2.09 C ATOM 244 CZ PHE A 16 8.087 -5.039 0.676 1.00 0.65 C ATOM 0 H PHE A 16 4.127 -4.884 6.118 1.00 0.56 H new ATOM 0 HA PHE A 16 3.979 -6.109 3.535 1.00 0.58 H new ATOM 0 HB2 PHE A 16 5.032 -3.914 4.184 1.00 0.62 H new ATOM 0 HB3 PHE A 16 6.250 -4.794 5.086 1.00 0.62 H new ATOM 0 HD1 PHE A 16 7.804 -6.401 3.793 1.00 1.90 H new ATOM 0 HD2 PHE A 16 5.297 -3.480 1.870 1.00 2.09 H new ATOM 0 HE1 PHE A 16 9.200 -6.541 1.751 1.00 1.89 H new ATOM 0 HE2 PHE A 16 6.756 -3.548 -0.141 1.00 2.09 H new ATOM 0 HZ PHE A 16 8.722 -5.073 -0.197 1.00 0.65 H new ATOM 254 N HIS A 17 5.983 -7.603 5.713 1.00 0.68 N ATOM 255 CA HIS A 17 6.614 -8.899 6.002 1.00 0.70 C ATOM 256 C HIS A 17 5.609 -10.069 5.934 1.00 0.73 C ATOM 257 O HIS A 17 5.984 -11.181 5.575 1.00 0.81 O ATOM 258 CB HIS A 17 7.300 -8.825 7.373 1.00 0.78 C ATOM 259 CG HIS A 17 8.095 -10.043 7.791 1.00 1.00 C ATOM 260 ND1 HIS A 17 7.660 -11.350 7.823 1.00 1.81 N ATOM 261 CD2 HIS A 17 9.371 -10.048 8.287 1.00 1.61 C ATOM 262 CE1 HIS A 17 8.643 -12.114 8.327 1.00 2.09 C ATOM 263 NE2 HIS A 17 9.710 -11.361 8.624 1.00 1.88 N ATOM 0 H HIS A 17 6.094 -6.914 6.457 1.00 0.68 H new ATOM 0 HA HIS A 17 7.360 -9.102 5.233 1.00 0.70 H new ATOM 0 HB2 HIS A 17 7.967 -7.963 7.376 1.00 0.78 H new ATOM 0 HB3 HIS A 17 6.536 -8.639 8.128 1.00 0.78 H new ATOM 0 HD1 HIS A 17 6.746 -11.681 7.516 1.00 1.81 H new ATOM 0 HD2 HIS A 17 10.008 -9.183 8.399 1.00 1.61 H new ATOM 0 HE1 HIS A 17 8.582 -13.182 8.472 1.00 2.09 H new ATOM 272 N LYS A 18 4.320 -9.857 6.225 1.00 0.74 N ATOM 273 CA LYS A 18 3.276 -10.893 6.153 1.00 0.83 C ATOM 274 C LYS A 18 3.026 -11.451 4.732 1.00 0.74 C ATOM 275 O LYS A 18 2.327 -12.463 4.593 1.00 0.96 O ATOM 276 CB LYS A 18 2.011 -10.314 6.822 1.00 0.97 C ATOM 277 CG LYS A 18 0.928 -11.332 7.218 1.00 1.19 C ATOM 278 CD LYS A 18 -0.320 -11.233 6.328 1.00 1.90 C ATOM 279 CE LYS A 18 -1.487 -12.074 6.863 1.00 2.32 C ATOM 280 NZ LYS A 18 -2.067 -11.493 8.101 1.00 2.81 N ATOM 0 H LYS A 18 3.965 -8.948 6.522 1.00 0.74 H new ATOM 0 HA LYS A 18 3.612 -11.779 6.692 1.00 0.83 H new ATOM 0 HB2 LYS A 18 2.314 -9.771 7.717 1.00 0.97 H new ATOM 0 HB3 LYS A 18 1.566 -9.587 6.143 1.00 0.97 H new ATOM 0 HG2 LYS A 18 1.339 -12.340 7.153 1.00 1.19 H new ATOM 0 HG3 LYS A 18 0.644 -11.170 8.258 1.00 1.19 H new ATOM 0 HD2 LYS A 18 -0.630 -10.190 6.256 1.00 1.90 H new ATOM 0 HD3 LYS A 18 -0.071 -11.562 5.319 1.00 1.90 H new ATOM 0 HE2 LYS A 18 -2.261 -12.148 6.099 1.00 2.32 H new ATOM 0 HE3 LYS A 18 -1.141 -13.088 7.065 1.00 2.32 H new ATOM 0 HZ1 LYS A 18 -2.951 -11.988 8.336 1.00 2.81 H new ATOM 0 HZ2 LYS A 18 -1.392 -11.600 8.884 1.00 2.81 H new ATOM 0 HZ3 LYS A 18 -2.265 -10.483 7.951 1.00 2.81 H new ATOM 294 N TYR A 19 3.563 -10.826 3.672 1.00 0.55 N ATOM 295 CA TYR A 19 3.457 -11.299 2.277 1.00 0.55 C ATOM 296 C TYR A 19 4.801 -11.646 1.618 1.00 0.67 C ATOM 297 O TYR A 19 4.829 -12.504 0.743 1.00 1.18 O ATOM 298 CB TYR A 19 2.651 -10.294 1.451 1.00 0.52 C ATOM 299 CG TYR A 19 1.190 -10.272 1.857 1.00 0.50 C ATOM 300 CD1 TYR A 19 0.799 -9.544 2.990 1.00 1.73 C ATOM 301 CD2 TYR A 19 0.221 -10.985 1.116 1.00 1.76 C ATOM 302 CE1 TYR A 19 -0.549 -9.489 3.375 1.00 1.73 C ATOM 303 CE2 TYR A 19 -1.132 -10.967 1.514 1.00 1.81 C ATOM 304 CZ TYR A 19 -1.516 -10.216 2.652 1.00 0.63 C ATOM 305 OH TYR A 19 -2.817 -10.177 3.039 1.00 0.76 O ATOM 0 H TYR A 19 4.094 -9.960 3.760 1.00 0.55 H new ATOM 0 HA TYR A 19 2.925 -12.250 2.307 1.00 0.55 H new ATOM 0 HB2 TYR A 19 3.077 -9.298 1.574 1.00 0.52 H new ATOM 0 HB3 TYR A 19 2.730 -10.546 0.394 1.00 0.52 H new ATOM 0 HD1 TYR A 19 1.543 -9.020 3.572 1.00 1.73 H new ATOM 0 HD2 TYR A 19 0.517 -11.546 0.242 1.00 1.76 H new ATOM 0 HE1 TYR A 19 -0.845 -8.891 4.224 1.00 1.73 H new ATOM 0 HE2 TYR A 19 -1.870 -11.522 0.955 1.00 1.81 H new ATOM 0 HH TYR A 19 -3.355 -10.731 2.435 1.00 0.76 H new ATOM 315 N SER A 20 5.910 -11.080 2.087 1.00 0.60 N ATOM 316 CA SER A 20 7.262 -11.510 1.689 1.00 0.74 C ATOM 317 C SER A 20 7.765 -12.709 2.516 1.00 0.89 C ATOM 318 O SER A 20 8.154 -13.748 1.976 1.00 1.48 O ATOM 319 CB SER A 20 8.219 -10.325 1.887 1.00 0.88 C ATOM 320 OG SER A 20 7.729 -9.131 1.305 1.00 1.82 O ATOM 0 H SER A 20 5.904 -10.309 2.755 1.00 0.60 H new ATOM 0 HA SER A 20 7.226 -11.828 0.647 1.00 0.74 H new ATOM 0 HB2 SER A 20 8.380 -10.166 2.953 1.00 0.88 H new ATOM 0 HB3 SER A 20 9.188 -10.567 1.451 1.00 0.88 H new ATOM 0 HG SER A 20 8.307 -8.870 0.558 1.00 1.82 H new ATOM 326 N GLY A 21 7.699 -12.579 3.849 1.00 0.94 N ATOM 327 CA GLY A 21 8.209 -13.532 4.833 1.00 1.24 C ATOM 328 C GLY A 21 7.301 -14.746 4.935 1.00 1.56 C ATOM 329 O GLY A 21 6.331 -14.762 5.693 1.00 2.51 O ATOM 0 H GLY A 21 7.267 -11.765 4.287 1.00 0.94 H new ATOM 0 HA2 GLY A 21 9.214 -13.847 4.552 1.00 1.24 H new ATOM 0 HA3 GLY A 21 8.287 -13.048 5.807 1.00 1.24 H new ATOM 332 N ARG A 22 7.659 -15.740 4.125 1.00 1.85 N ATOM 333 CA ARG A 22 6.934 -16.975 3.800 1.00 2.06 C ATOM 334 C ARG A 22 7.714 -17.746 2.725 1.00 2.14 C ATOM 335 O ARG A 22 7.962 -18.938 2.897 1.00 2.73 O ATOM 336 CB ARG A 22 5.479 -16.695 3.363 1.00 2.18 C ATOM 337 CG ARG A 22 5.326 -15.505 2.396 1.00 1.99 C ATOM 338 CD ARG A 22 4.018 -15.556 1.610 1.00 1.88 C ATOM 339 NE ARG A 22 2.905 -14.955 2.360 1.00 2.57 N ATOM 340 CZ ARG A 22 1.751 -14.603 1.816 1.00 3.20 C ATOM 341 NH1 ARG A 22 1.456 -14.928 0.571 1.00 3.09 N ATOM 342 NH2 ARG A 22 0.904 -13.890 2.523 1.00 4.62 N ATOM 0 H ARG A 22 8.550 -15.701 3.630 1.00 1.85 H new ATOM 0 HA ARG A 22 6.864 -17.589 4.698 1.00 2.06 H new ATOM 0 HB2 ARG A 22 5.076 -17.589 2.887 1.00 2.18 H new ATOM 0 HB3 ARG A 22 4.875 -16.507 4.251 1.00 2.18 H new ATOM 0 HG2 ARG A 22 5.371 -14.574 2.961 1.00 1.99 H new ATOM 0 HG3 ARG A 22 6.165 -15.496 1.700 1.00 1.99 H new ATOM 0 HD2 ARG A 22 4.143 -15.031 0.663 1.00 1.88 H new ATOM 0 HD3 ARG A 22 3.778 -16.592 1.371 1.00 1.88 H new ATOM 0 HE ARG A 22 3.030 -14.800 3.360 1.00 2.57 H new ATOM 0 HH11 ARG A 22 2.123 -15.459 0.011 1.00 3.09 H new ATOM 0 HH12 ARG A 22 0.561 -14.648 0.169 1.00 3.09 H new ATOM 0 HH21 ARG A 22 1.140 -13.616 3.477 1.00 4.62 H new ATOM 0 HH22 ARG A 22 0.010 -13.611 2.118 1.00 4.62 H new ATOM 356 N GLU A 23 8.215 -17.019 1.720 1.00 1.86 N ATOM 357 CA GLU A 23 9.186 -17.488 0.731 1.00 2.22 C ATOM 358 C GLU A 23 10.614 -17.118 1.177 1.00 2.53 C ATOM 359 O GLU A 23 11.562 -17.872 0.976 1.00 3.11 O ATOM 360 CB GLU A 23 8.912 -16.849 -0.650 1.00 2.45 C ATOM 361 CG GLU A 23 7.451 -16.537 -1.014 1.00 3.23 C ATOM 362 CD GLU A 23 6.498 -17.707 -0.787 1.00 3.93 C ATOM 363 OE1 GLU A 23 6.597 -18.688 -1.554 1.00 4.44 O ATOM 364 OE2 GLU A 23 5.669 -17.603 0.150 1.00 4.98 O ATOM 0 H GLU A 23 7.942 -16.048 1.569 1.00 1.86 H new ATOM 0 HA GLU A 23 9.091 -18.571 0.651 1.00 2.22 H new ATOM 0 HB2 GLU A 23 9.478 -15.919 -0.708 1.00 2.45 H new ATOM 0 HB3 GLU A 23 9.313 -17.515 -1.414 1.00 2.45 H new ATOM 0 HG2 GLU A 23 7.113 -15.685 -0.424 1.00 3.23 H new ATOM 0 HG3 GLU A 23 7.403 -16.239 -2.061 1.00 3.23 H new ATOM 371 N GLY A 24 10.766 -15.943 1.804 1.00 3.14 N ATOM 372 CA GLY A 24 12.037 -15.373 2.252 1.00 3.77 C ATOM 373 C GLY A 24 11.979 -13.854 2.141 1.00 3.13 C ATOM 374 O GLY A 24 11.015 -13.245 2.602 1.00 4.22 O ATOM 0 H GLY A 24 9.971 -15.341 2.020 1.00 3.14 H new ATOM 0 HA2 GLY A 24 12.236 -15.666 3.283 1.00 3.77 H new ATOM 0 HA3 GLY A 24 12.856 -15.762 1.647 1.00 3.77 H new ATOM 377 N SER A 25 13.019 -13.252 1.555 1.00 2.29 N ATOM 378 CA SER A 25 12.983 -11.928 0.894 1.00 1.39 C ATOM 379 C SER A 25 12.244 -10.806 1.655 1.00 1.43 C ATOM 380 O SER A 25 11.522 -10.018 1.056 1.00 1.98 O ATOM 381 CB SER A 25 12.447 -12.083 -0.549 1.00 1.58 C ATOM 382 OG SER A 25 11.053 -12.329 -0.593 1.00 3.35 O ATOM 0 H SER A 25 13.944 -13.681 1.523 1.00 2.29 H new ATOM 0 HA SER A 25 14.017 -11.582 0.885 1.00 1.39 H new ATOM 0 HB2 SER A 25 12.670 -11.178 -1.114 1.00 1.58 H new ATOM 0 HB3 SER A 25 12.972 -12.902 -1.041 1.00 1.58 H new ATOM 0 HG SER A 25 10.766 -12.417 -1.526 1.00 3.35 H new ATOM 388 N LYS A 26 12.369 -10.711 2.987 1.00 1.39 N ATOM 389 CA LYS A 26 11.384 -10.042 3.869 1.00 1.41 C ATOM 390 C LYS A 26 11.225 -8.515 3.666 1.00 1.35 C ATOM 391 O LYS A 26 10.383 -7.888 4.305 1.00 1.50 O ATOM 392 CB LYS A 26 11.698 -10.360 5.344 1.00 1.76 C ATOM 393 CG LYS A 26 11.590 -11.850 5.740 1.00 1.90 C ATOM 394 CD LYS A 26 12.790 -12.748 5.418 1.00 1.86 C ATOM 395 CE LYS A 26 14.050 -12.267 6.132 1.00 1.99 C ATOM 396 NZ LYS A 26 14.253 -12.950 7.423 1.00 2.60 N ATOM 0 H LYS A 26 13.164 -11.099 3.494 1.00 1.39 H new ATOM 0 HA LYS A 26 10.418 -10.456 3.578 1.00 1.41 H new ATOM 0 HB2 LYS A 26 12.708 -10.016 5.565 1.00 1.76 H new ATOM 0 HB3 LYS A 26 11.020 -9.784 5.974 1.00 1.76 H new ATOM 0 HG2 LYS A 26 11.407 -11.902 6.813 1.00 1.90 H new ATOM 0 HG3 LYS A 26 10.713 -12.268 5.246 1.00 1.90 H new ATOM 0 HD2 LYS A 26 12.570 -13.773 5.715 1.00 1.86 H new ATOM 0 HD3 LYS A 26 12.961 -12.758 4.342 1.00 1.86 H new ATOM 0 HE2 LYS A 26 14.916 -12.438 5.492 1.00 1.99 H new ATOM 0 HE3 LYS A 26 13.984 -11.192 6.298 1.00 1.99 H new ATOM 0 HZ1 LYS A 26 15.071 -12.533 7.911 1.00 2.60 H new ATOM 0 HZ2 LYS A 26 13.404 -12.837 8.013 1.00 2.60 H new ATOM 0 HZ3 LYS A 26 14.427 -13.962 7.257 1.00 2.60 H new ATOM 410 N LEU A 27 12.042 -7.939 2.777 1.00 1.29 N ATOM 411 CA LEU A 27 12.099 -6.523 2.405 1.00 1.30 C ATOM 412 C LEU A 27 11.639 -6.246 0.955 1.00 1.05 C ATOM 413 O LEU A 27 11.500 -5.071 0.619 1.00 1.04 O ATOM 414 CB LEU A 27 13.545 -6.027 2.624 1.00 1.60 C ATOM 415 CG LEU A 27 14.131 -6.295 4.028 1.00 2.80 C ATOM 416 CD1 LEU A 27 15.556 -5.736 4.115 1.00 3.05 C ATOM 417 CD2 LEU A 27 13.284 -5.685 5.153 1.00 3.98 C ATOM 0 H LEU A 27 12.729 -8.490 2.263 1.00 1.29 H new ATOM 0 HA LEU A 27 11.398 -5.979 3.038 1.00 1.30 H new ATOM 0 HB2 LEU A 27 14.190 -6.500 1.883 1.00 1.60 H new ATOM 0 HB3 LEU A 27 13.576 -4.954 2.435 1.00 1.60 H new ATOM 0 HG LEU A 27 14.133 -7.376 4.166 1.00 2.80 H new ATOM 0 HD11 LEU A 27 15.962 -5.929 5.108 1.00 3.05 H new ATOM 0 HD12 LEU A 27 16.183 -6.220 3.366 1.00 3.05 H new ATOM 0 HD13 LEU A 27 15.537 -4.661 3.933 1.00 3.05 H new ATOM 0 HD21 LEU A 27 13.745 -5.906 6.116 1.00 3.98 H new ATOM 0 HD22 LEU A 27 13.224 -4.605 5.018 1.00 3.98 H new ATOM 0 HD23 LEU A 27 12.281 -6.110 5.125 1.00 3.98 H new ATOM 429 N THR A 28 11.386 -7.285 0.134 1.00 0.97 N ATOM 430 CA THR A 28 10.916 -7.181 -1.261 1.00 0.91 C ATOM 431 C THR A 28 9.710 -8.086 -1.541 1.00 0.89 C ATOM 432 O THR A 28 9.384 -8.941 -0.720 1.00 1.00 O ATOM 433 CB THR A 28 12.038 -7.509 -2.266 1.00 0.99 C ATOM 434 OG1 THR A 28 12.498 -8.825 -2.073 1.00 1.01 O ATOM 435 CG2 THR A 28 13.230 -6.564 -2.140 1.00 1.18 C ATOM 0 H THR A 28 11.508 -8.252 0.435 1.00 0.97 H new ATOM 0 HA THR A 28 10.607 -6.144 -1.393 1.00 0.91 H new ATOM 0 HB THR A 28 11.605 -7.391 -3.259 1.00 0.99 H new ATOM 0 HG1 THR A 28 12.749 -9.214 -2.937 1.00 1.01 H new ATOM 0 HG21 THR A 28 13.991 -6.839 -2.870 1.00 1.18 H new ATOM 0 HG22 THR A 28 12.904 -5.540 -2.324 1.00 1.18 H new ATOM 0 HG23 THR A 28 13.648 -6.637 -1.136 1.00 1.18 H new ATOM 443 N LEU A 29 9.048 -7.937 -2.698 1.00 0.90 N ATOM 444 CA LEU A 29 8.036 -8.866 -3.255 1.00 0.96 C ATOM 445 C LEU A 29 7.716 -8.544 -4.720 1.00 1.07 C ATOM 446 O LEU A 29 8.145 -7.522 -5.232 1.00 1.12 O ATOM 447 CB LEU A 29 6.749 -8.985 -2.394 1.00 0.88 C ATOM 448 CG LEU A 29 5.729 -7.825 -2.437 1.00 0.82 C ATOM 449 CD1 LEU A 29 4.620 -8.123 -1.416 1.00 0.86 C ATOM 450 CD2 LEU A 29 6.332 -6.448 -2.128 1.00 0.81 C ATOM 0 H LEU A 29 9.206 -7.131 -3.303 1.00 0.90 H new ATOM 0 HA LEU A 29 8.497 -9.853 -3.222 1.00 0.96 H new ATOM 0 HB2 LEU A 29 6.230 -9.895 -2.695 1.00 0.88 H new ATOM 0 HB3 LEU A 29 7.054 -9.121 -1.357 1.00 0.88 H new ATOM 0 HG LEU A 29 5.351 -7.771 -3.458 1.00 0.82 H new ATOM 0 HD11 LEU A 29 3.887 -7.316 -1.429 1.00 0.86 H new ATOM 0 HD12 LEU A 29 4.130 -9.062 -1.674 1.00 0.86 H new ATOM 0 HD13 LEU A 29 5.055 -8.203 -0.420 1.00 0.86 H new ATOM 0 HD21 LEU A 29 5.551 -5.689 -2.179 1.00 0.81 H new ATOM 0 HD22 LEU A 29 6.765 -6.457 -1.128 1.00 0.81 H new ATOM 0 HD23 LEU A 29 7.109 -6.219 -2.858 1.00 0.81 H new ATOM 462 N SER A 30 6.977 -9.397 -5.421 1.00 1.17 N ATOM 463 CA SER A 30 6.613 -9.195 -6.828 1.00 1.29 C ATOM 464 C SER A 30 5.249 -8.494 -7.041 1.00 1.09 C ATOM 465 O SER A 30 4.432 -8.354 -6.126 1.00 1.09 O ATOM 466 CB SER A 30 6.723 -10.534 -7.576 1.00 1.82 C ATOM 467 OG SER A 30 6.245 -11.621 -6.805 1.00 2.26 O ATOM 0 H SER A 30 6.606 -10.262 -5.027 1.00 1.17 H new ATOM 0 HA SER A 30 7.326 -8.489 -7.253 1.00 1.29 H new ATOM 0 HB2 SER A 30 6.158 -10.475 -8.506 1.00 1.82 H new ATOM 0 HB3 SER A 30 7.764 -10.713 -7.846 1.00 1.82 H new ATOM 0 HG SER A 30 5.347 -11.869 -7.110 1.00 2.26 H new ATOM 473 N ARG A 31 5.003 -7.989 -8.262 1.00 1.08 N ATOM 474 CA ARG A 31 3.931 -6.999 -8.512 1.00 1.09 C ATOM 475 C ARG A 31 2.504 -7.486 -8.228 1.00 1.02 C ATOM 476 O ARG A 31 1.687 -6.714 -7.722 1.00 1.05 O ATOM 477 CB ARG A 31 3.942 -6.468 -9.953 1.00 1.23 C ATOM 478 CG ARG A 31 5.307 -6.149 -10.583 1.00 1.84 C ATOM 479 CD ARG A 31 5.269 -4.863 -11.427 1.00 2.01 C ATOM 480 NE ARG A 31 4.962 -3.648 -10.659 1.00 1.93 N ATOM 481 CZ ARG A 31 5.810 -2.806 -10.069 1.00 2.21 C ATOM 482 NH1 ARG A 31 7.110 -2.972 -9.990 1.00 2.73 N ATOM 483 NH2 ARG A 31 5.338 -1.720 -9.510 1.00 2.82 N ATOM 0 H ARG A 31 5.531 -8.248 -9.095 1.00 1.08 H new ATOM 0 HA ARG A 31 4.175 -6.214 -7.796 1.00 1.09 H new ATOM 0 HB2 ARG A 31 3.443 -7.202 -10.586 1.00 1.23 H new ATOM 0 HB3 ARG A 31 3.339 -5.561 -9.981 1.00 1.23 H new ATOM 0 HG2 ARG A 31 6.053 -6.043 -9.796 1.00 1.84 H new ATOM 0 HG3 ARG A 31 5.621 -6.984 -11.209 1.00 1.84 H new ATOM 0 HD2 ARG A 31 6.234 -4.735 -11.918 1.00 2.01 H new ATOM 0 HD3 ARG A 31 4.524 -4.980 -12.214 1.00 2.01 H new ATOM 0 HE ARG A 31 3.972 -3.420 -10.566 1.00 1.93 H new ATOM 0 HH11 ARG A 31 7.544 -3.799 -10.401 1.00 2.73 H new ATOM 0 HH12 ARG A 31 7.685 -2.274 -9.518 1.00 2.73 H new ATOM 0 HH21 ARG A 31 4.336 -1.530 -9.531 1.00 2.82 H new ATOM 0 HH22 ARG A 31 5.972 -1.064 -9.054 1.00 2.82 H new ATOM 497 N LYS A 32 2.187 -8.750 -8.531 1.00 1.00 N ATOM 498 CA LYS A 32 0.869 -9.327 -8.212 1.00 0.97 C ATOM 499 C LYS A 32 0.670 -9.404 -6.687 1.00 0.98 C ATOM 500 O LYS A 32 -0.395 -9.049 -6.180 1.00 1.02 O ATOM 501 CB LYS A 32 0.737 -10.718 -8.869 1.00 0.99 C ATOM 502 CG LYS A 32 0.728 -10.724 -10.403 1.00 2.21 C ATOM 503 CD LYS A 32 -0.538 -10.122 -11.036 1.00 2.84 C ATOM 504 CE LYS A 32 -0.201 -8.943 -11.956 1.00 4.48 C ATOM 505 NZ LYS A 32 -0.538 -9.178 -13.386 1.00 5.44 N ATOM 0 H LYS A 32 2.824 -9.396 -8.997 1.00 1.00 H new ATOM 0 HA LYS A 32 0.086 -8.683 -8.613 1.00 0.97 H new ATOM 0 HB2 LYS A 32 1.561 -11.343 -8.525 1.00 0.99 H new ATOM 0 HB3 LYS A 32 -0.184 -11.182 -8.516 1.00 0.99 H new ATOM 0 HG2 LYS A 32 1.596 -10.171 -10.761 1.00 2.21 H new ATOM 0 HG3 LYS A 32 0.839 -11.751 -10.750 1.00 2.21 H new ATOM 0 HD2 LYS A 32 -1.062 -10.890 -11.605 1.00 2.84 H new ATOM 0 HD3 LYS A 32 -1.216 -9.789 -10.250 1.00 2.84 H new ATOM 0 HE2 LYS A 32 -0.735 -8.059 -11.608 1.00 4.48 H new ATOM 0 HE3 LYS A 32 0.864 -8.725 -11.875 1.00 4.48 H new ATOM 0 HZ1 LYS A 32 -0.191 -8.383 -13.960 1.00 5.44 H new ATOM 0 HZ2 LYS A 32 -0.090 -10.059 -13.708 1.00 5.44 H new ATOM 0 HZ3 LYS A 32 -1.570 -9.256 -13.491 1.00 5.44 H new ATOM 519 N GLU A 33 1.729 -9.752 -5.962 1.00 1.05 N ATOM 520 CA GLU A 33 1.742 -9.968 -4.515 1.00 1.17 C ATOM 521 C GLU A 33 1.634 -8.637 -3.762 1.00 1.20 C ATOM 522 O GLU A 33 0.819 -8.537 -2.851 1.00 1.24 O ATOM 523 CB GLU A 33 3.013 -10.741 -4.098 1.00 1.34 C ATOM 524 CG GLU A 33 3.112 -12.183 -4.639 1.00 2.54 C ATOM 525 CD GLU A 33 2.944 -12.250 -6.161 1.00 4.08 C ATOM 526 OE1 GLU A 33 3.727 -11.561 -6.860 1.00 5.62 O ATOM 527 OE2 GLU A 33 1.916 -12.794 -6.609 1.00 4.38 O ATOM 0 H GLU A 33 2.645 -9.898 -6.385 1.00 1.05 H new ATOM 0 HA GLU A 33 0.873 -10.570 -4.249 1.00 1.17 H new ATOM 0 HB2 GLU A 33 3.886 -10.182 -4.436 1.00 1.34 H new ATOM 0 HB3 GLU A 33 3.058 -10.774 -3.009 1.00 1.34 H new ATOM 0 HG2 GLU A 33 4.078 -12.605 -4.364 1.00 2.54 H new ATOM 0 HG3 GLU A 33 2.348 -12.799 -4.165 1.00 2.54 H new ATOM 534 N LEU A 34 2.374 -7.592 -4.169 1.00 1.21 N ATOM 535 CA LEU A 34 2.190 -6.211 -3.689 1.00 1.27 C ATOM 536 C LEU A 34 0.731 -5.767 -3.812 1.00 1.21 C ATOM 537 O LEU A 34 0.108 -5.336 -2.838 1.00 1.19 O ATOM 538 CB LEU A 34 3.109 -5.282 -4.510 1.00 1.32 C ATOM 539 CG LEU A 34 2.834 -3.772 -4.300 1.00 1.45 C ATOM 540 CD1 LEU A 34 3.146 -3.333 -2.863 1.00 1.60 C ATOM 541 CD2 LEU A 34 3.657 -2.947 -5.290 1.00 1.65 C ATOM 0 H LEU A 34 3.128 -7.684 -4.850 1.00 1.21 H new ATOM 0 HA LEU A 34 2.453 -6.160 -2.632 1.00 1.27 H new ATOM 0 HB2 LEU A 34 4.146 -5.491 -4.248 1.00 1.32 H new ATOM 0 HB3 LEU A 34 2.994 -5.517 -5.568 1.00 1.32 H new ATOM 0 HG LEU A 34 1.772 -3.600 -4.477 1.00 1.45 H new ATOM 0 HD11 LEU A 34 2.941 -2.268 -2.755 1.00 1.60 H new ATOM 0 HD12 LEU A 34 2.523 -3.895 -2.167 1.00 1.60 H new ATOM 0 HD13 LEU A 34 4.197 -3.524 -2.644 1.00 1.60 H new ATOM 0 HD21 LEU A 34 3.457 -1.887 -5.135 1.00 1.65 H new ATOM 0 HD22 LEU A 34 4.718 -3.143 -5.133 1.00 1.65 H new ATOM 0 HD23 LEU A 34 3.384 -3.222 -6.309 1.00 1.65 H new ATOM 553 N LYS A 35 0.177 -5.876 -5.018 1.00 1.24 N ATOM 554 CA LYS A 35 -1.205 -5.500 -5.309 1.00 1.27 C ATOM 555 C LYS A 35 -2.196 -6.248 -4.396 1.00 1.25 C ATOM 556 O LYS A 35 -3.204 -5.682 -3.967 1.00 1.29 O ATOM 557 CB LYS A 35 -1.437 -5.770 -6.812 1.00 1.34 C ATOM 558 CG LYS A 35 -2.789 -5.271 -7.340 1.00 1.72 C ATOM 559 CD LYS A 35 -3.753 -6.377 -7.801 1.00 1.38 C ATOM 560 CE LYS A 35 -4.141 -7.318 -6.654 1.00 2.20 C ATOM 561 NZ LYS A 35 -5.114 -8.351 -7.073 1.00 3.06 N ATOM 0 H LYS A 35 0.681 -6.232 -5.830 1.00 1.24 H new ATOM 0 HA LYS A 35 -1.380 -4.445 -5.100 1.00 1.27 H new ATOM 0 HB2 LYS A 35 -0.639 -5.294 -7.382 1.00 1.34 H new ATOM 0 HB3 LYS A 35 -1.363 -6.842 -6.993 1.00 1.34 H new ATOM 0 HG2 LYS A 35 -3.275 -4.688 -6.558 1.00 1.72 H new ATOM 0 HG3 LYS A 35 -2.609 -4.595 -8.176 1.00 1.72 H new ATOM 0 HD2 LYS A 35 -4.652 -5.923 -8.217 1.00 1.38 H new ATOM 0 HD3 LYS A 35 -3.287 -6.953 -8.601 1.00 1.38 H new ATOM 0 HE2 LYS A 35 -3.245 -7.803 -6.267 1.00 2.20 H new ATOM 0 HE3 LYS A 35 -4.565 -6.734 -5.837 1.00 2.20 H new ATOM 0 HZ1 LYS A 35 -5.382 -8.929 -6.251 1.00 3.06 H new ATOM 0 HZ2 LYS A 35 -5.961 -7.892 -7.465 1.00 3.06 H new ATOM 0 HZ3 LYS A 35 -4.684 -8.959 -7.798 1.00 3.06 H new ATOM 575 N GLU A 36 -1.904 -7.517 -4.100 1.00 1.24 N ATOM 576 CA GLU A 36 -2.760 -8.418 -3.339 1.00 1.27 C ATOM 577 C GLU A 36 -2.590 -8.263 -1.821 1.00 1.32 C ATOM 578 O GLU A 36 -3.585 -8.356 -1.117 1.00 1.46 O ATOM 579 CB GLU A 36 -2.501 -9.855 -3.823 1.00 1.44 C ATOM 580 CG GLU A 36 -3.562 -10.861 -3.372 1.00 1.59 C ATOM 581 CD GLU A 36 -4.936 -10.685 -4.032 1.00 1.84 C ATOM 582 OE1 GLU A 36 -5.160 -9.712 -4.784 1.00 2.98 O ATOM 583 OE2 GLU A 36 -5.813 -11.529 -3.748 1.00 1.97 O ATOM 0 H GLU A 36 -1.033 -7.957 -4.396 1.00 1.24 H new ATOM 0 HA GLU A 36 -3.803 -8.159 -3.522 1.00 1.27 H new ATOM 0 HB2 GLU A 36 -2.451 -9.858 -4.912 1.00 1.44 H new ATOM 0 HB3 GLU A 36 -1.527 -10.181 -3.458 1.00 1.44 H new ATOM 0 HG2 GLU A 36 -3.200 -11.868 -3.581 1.00 1.59 H new ATOM 0 HG3 GLU A 36 -3.681 -10.783 -2.291 1.00 1.59 H new ATOM 590 N LEU A 37 -1.401 -7.929 -1.303 1.00 1.28 N ATOM 591 CA LEU A 37 -1.215 -7.450 0.071 1.00 1.25 C ATOM 592 C LEU A 37 -2.145 -6.271 0.328 1.00 1.24 C ATOM 593 O LEU A 37 -2.955 -6.311 1.261 1.00 1.27 O ATOM 594 CB LEU A 37 0.271 -7.065 0.279 1.00 1.18 C ATOM 595 CG LEU A 37 0.577 -5.969 1.332 1.00 1.02 C ATOM 596 CD1 LEU A 37 0.120 -6.252 2.764 1.00 1.04 C ATOM 597 CD2 LEU A 37 2.091 -5.711 1.318 1.00 1.61 C ATOM 0 H LEU A 37 -0.531 -7.985 -1.833 1.00 1.28 H new ATOM 0 HA LEU A 37 -1.465 -8.234 0.785 1.00 1.25 H new ATOM 0 HB2 LEU A 37 0.817 -7.965 0.560 1.00 1.18 H new ATOM 0 HB3 LEU A 37 0.672 -6.735 -0.679 1.00 1.18 H new ATOM 0 HG LEU A 37 -0.010 -5.100 1.035 1.00 1.02 H new ATOM 0 HD11 LEU A 37 0.391 -5.413 3.405 1.00 1.04 H new ATOM 0 HD12 LEU A 37 -0.961 -6.387 2.781 1.00 1.04 H new ATOM 0 HD13 LEU A 37 0.604 -7.158 3.128 1.00 1.04 H new ATOM 0 HD21 LEU A 37 2.336 -4.942 2.051 1.00 1.61 H new ATOM 0 HD22 LEU A 37 2.619 -6.631 1.567 1.00 1.61 H new ATOM 0 HD23 LEU A 37 2.394 -5.376 0.326 1.00 1.61 H new ATOM 609 N ILE A 38 -2.040 -5.250 -0.530 1.00 1.27 N ATOM 610 CA ILE A 38 -2.774 -3.998 -0.361 1.00 1.30 C ATOM 611 C ILE A 38 -4.278 -4.264 -0.361 1.00 1.35 C ATOM 612 O ILE A 38 -4.946 -3.840 0.573 1.00 1.57 O ATOM 613 CB ILE A 38 -2.308 -2.941 -1.394 1.00 1.27 C ATOM 614 CG1 ILE A 38 -0.855 -2.521 -1.054 1.00 1.27 C ATOM 615 CG2 ILE A 38 -3.246 -1.718 -1.403 1.00 1.26 C ATOM 616 CD1 ILE A 38 -0.234 -1.476 -1.987 1.00 1.31 C ATOM 0 H ILE A 38 -1.445 -5.271 -1.358 1.00 1.27 H new ATOM 0 HA ILE A 38 -2.548 -3.564 0.613 1.00 1.30 H new ATOM 0 HB ILE A 38 -2.340 -3.375 -2.393 1.00 1.27 H new ATOM 0 HG12 ILE A 38 -0.837 -2.130 -0.037 1.00 1.27 H new ATOM 0 HG13 ILE A 38 -0.226 -3.411 -1.065 1.00 1.27 H new ATOM 0 HG21 ILE A 38 -2.893 -0.994 -2.138 1.00 1.26 H new ATOM 0 HG22 ILE A 38 -4.256 -2.036 -1.663 1.00 1.26 H new ATOM 0 HG23 ILE A 38 -3.253 -1.258 -0.415 1.00 1.26 H new ATOM 0 HD11 ILE A 38 0.782 -1.254 -1.660 1.00 1.31 H new ATOM 0 HD12 ILE A 38 -0.211 -1.865 -3.005 1.00 1.31 H new ATOM 0 HD13 ILE A 38 -0.831 -0.564 -1.961 1.00 1.31 H new ATOM 628 N LYS A 39 -4.844 -4.991 -1.333 1.00 1.41 N ATOM 629 CA LYS A 39 -6.284 -5.204 -1.367 1.00 1.50 C ATOM 630 C LYS A 39 -6.821 -6.455 -0.661 1.00 1.71 C ATOM 631 O LYS A 39 -8.035 -6.471 -0.437 1.00 1.77 O ATOM 632 CB LYS A 39 -6.774 -5.062 -2.810 1.00 1.74 C ATOM 633 CG LYS A 39 -7.008 -3.607 -3.244 1.00 2.11 C ATOM 634 CD LYS A 39 -7.885 -2.717 -2.342 1.00 2.36 C ATOM 635 CE LYS A 39 -9.278 -3.276 -1.992 1.00 2.33 C ATOM 636 NZ LYS A 39 -9.325 -3.934 -0.658 1.00 3.65 N ATOM 0 H LYS A 39 -4.329 -5.434 -2.094 1.00 1.41 H new ATOM 0 HA LYS A 39 -6.717 -4.421 -0.744 1.00 1.50 H new ATOM 0 HB2 LYS A 39 -6.044 -5.518 -3.479 1.00 1.74 H new ATOM 0 HB3 LYS A 39 -7.703 -5.620 -2.925 1.00 1.74 H new ATOM 0 HG2 LYS A 39 -6.034 -3.127 -3.342 1.00 2.11 H new ATOM 0 HG3 LYS A 39 -7.457 -3.622 -4.237 1.00 2.11 H new ATOM 0 HD2 LYS A 39 -7.346 -2.532 -1.413 1.00 2.36 H new ATOM 0 HD3 LYS A 39 -8.015 -1.752 -2.833 1.00 2.36 H new ATOM 0 HE2 LYS A 39 -10.005 -2.464 -2.016 1.00 2.33 H new ATOM 0 HE3 LYS A 39 -9.577 -3.994 -2.755 1.00 2.33 H new ATOM 0 HZ1 LYS A 39 -10.314 -4.122 -0.398 1.00 3.65 H new ATOM 0 HZ2 LYS A 39 -8.800 -4.831 -0.695 1.00 3.65 H new ATOM 0 HZ3 LYS A 39 -8.893 -3.309 0.053 1.00 3.65 H new ATOM 650 N LYS A 40 -6.006 -7.426 -0.226 1.00 1.90 N ATOM 651 CA LYS A 40 -6.422 -8.338 0.846 1.00 1.97 C ATOM 652 C LYS A 40 -6.693 -7.549 2.118 1.00 2.00 C ATOM 653 O LYS A 40 -7.779 -7.658 2.677 1.00 2.35 O ATOM 654 CB LYS A 40 -5.368 -9.407 1.210 1.00 1.65 C ATOM 655 CG LYS A 40 -5.256 -10.672 0.364 1.00 1.95 C ATOM 656 CD LYS A 40 -6.490 -11.056 -0.446 1.00 1.92 C ATOM 657 CE LYS A 40 -6.335 -12.513 -0.895 1.00 2.35 C ATOM 658 NZ LYS A 40 -7.257 -12.854 -1.997 1.00 2.72 N ATOM 0 H LYS A 40 -5.070 -7.598 -0.593 1.00 1.90 H new ATOM 0 HA LYS A 40 -7.309 -8.842 0.462 1.00 1.97 H new ATOM 0 HB2 LYS A 40 -4.393 -8.920 1.200 1.00 1.65 H new ATOM 0 HB3 LYS A 40 -5.559 -9.717 2.237 1.00 1.65 H new ATOM 0 HG2 LYS A 40 -4.420 -10.550 -0.324 1.00 1.95 H new ATOM 0 HG3 LYS A 40 -5.008 -11.504 1.024 1.00 1.95 H new ATOM 0 HD2 LYS A 40 -7.391 -10.938 0.156 1.00 1.92 H new ATOM 0 HD3 LYS A 40 -6.596 -10.401 -1.311 1.00 1.92 H new ATOM 0 HE2 LYS A 40 -5.308 -12.686 -1.215 1.00 2.35 H new ATOM 0 HE3 LYS A 40 -6.521 -13.175 -0.049 1.00 2.35 H new ATOM 0 HZ1 LYS A 40 -7.360 -13.887 -2.057 1.00 2.72 H new ATOM 0 HZ2 LYS A 40 -8.187 -12.424 -1.818 1.00 2.72 H new ATOM 0 HZ3 LYS A 40 -6.875 -12.492 -2.894 1.00 2.72 H new ATOM 672 N GLU A 41 -5.676 -6.832 2.590 1.00 1.73 N ATOM 673 CA GLU A 41 -5.694 -6.323 3.952 1.00 1.81 C ATOM 674 C GLU A 41 -6.460 -4.996 4.020 1.00 1.89 C ATOM 675 O GLU A 41 -7.368 -4.862 4.843 1.00 2.62 O ATOM 676 CB GLU A 41 -4.261 -6.362 4.530 1.00 1.76 C ATOM 677 CG GLU A 41 -3.481 -5.049 4.595 1.00 1.99 C ATOM 678 CD GLU A 41 -3.907 -4.276 5.838 1.00 3.26 C ATOM 679 OE1 GLU A 41 -3.350 -4.559 6.918 1.00 3.69 O ATOM 680 OE2 GLU A 41 -4.800 -3.410 5.742 1.00 4.67 O ATOM 0 H GLU A 41 -4.841 -6.594 2.055 1.00 1.73 H new ATOM 0 HA GLU A 41 -6.266 -6.960 4.626 1.00 1.81 H new ATOM 0 HB2 GLU A 41 -4.319 -6.767 5.540 1.00 1.76 H new ATOM 0 HB3 GLU A 41 -3.680 -7.067 3.936 1.00 1.76 H new ATOM 0 HG2 GLU A 41 -2.410 -5.249 4.626 1.00 1.99 H new ATOM 0 HG3 GLU A 41 -3.669 -4.455 3.700 1.00 1.99 H new ATOM 687 N LEU A 42 -6.193 -4.056 3.100 1.00 1.46 N ATOM 688 CA LEU A 42 -6.721 -2.696 3.199 1.00 1.31 C ATOM 689 C LEU A 42 -8.132 -2.642 2.601 1.00 1.25 C ATOM 690 O LEU A 42 -8.360 -2.263 1.448 1.00 1.98 O ATOM 691 CB LEU A 42 -5.712 -1.659 2.658 1.00 1.30 C ATOM 692 CG LEU A 42 -5.769 -0.339 3.450 1.00 1.23 C ATOM 693 CD1 LEU A 42 -4.619 0.580 3.020 1.00 1.93 C ATOM 694 CD2 LEU A 42 -7.106 0.402 3.293 1.00 1.90 C ATOM 0 H LEU A 42 -5.612 -4.219 2.278 1.00 1.46 H new ATOM 0 HA LEU A 42 -6.843 -2.407 4.243 1.00 1.31 H new ATOM 0 HB2 LEU A 42 -4.704 -2.071 2.710 1.00 1.30 H new ATOM 0 HB3 LEU A 42 -5.922 -1.462 1.607 1.00 1.30 H new ATOM 0 HG LEU A 42 -5.671 -0.603 4.503 1.00 1.23 H new ATOM 0 HD11 LEU A 42 -4.667 1.511 3.585 1.00 1.93 H new ATOM 0 HD12 LEU A 42 -3.667 0.086 3.214 1.00 1.93 H new ATOM 0 HD13 LEU A 42 -4.705 0.797 1.955 1.00 1.93 H new ATOM 0 HD21 LEU A 42 -7.082 1.323 3.875 1.00 1.90 H new ATOM 0 HD22 LEU A 42 -7.268 0.641 2.242 1.00 1.90 H new ATOM 0 HD23 LEU A 42 -7.917 -0.232 3.650 1.00 1.90 H new ATOM 706 N CYS A 43 -9.086 -3.163 3.368 1.00 1.53 N ATOM 707 CA CYS A 43 -10.383 -3.639 2.872 1.00 1.86 C ATOM 708 C CYS A 43 -11.601 -3.116 3.659 1.00 2.73 C ATOM 709 O CYS A 43 -12.674 -3.704 3.613 1.00 3.93 O ATOM 710 CB CYS A 43 -10.289 -5.173 2.821 1.00 3.35 C ATOM 711 SG CYS A 43 -11.063 -5.802 1.303 1.00 4.37 S ATOM 0 H CYS A 43 -8.980 -3.270 4.377 1.00 1.53 H new ATOM 0 HA CYS A 43 -10.571 -3.232 1.879 1.00 1.86 H new ATOM 0 HB2 CYS A 43 -9.244 -5.482 2.859 1.00 3.35 H new ATOM 0 HB3 CYS A 43 -10.781 -5.603 3.693 1.00 3.35 H new ATOM 0 HG CYS A 43 -10.139 -6.155 0.459 1.00 4.37 H new ATOM 717 N LEU A 44 -11.431 -1.988 4.355 1.00 3.28 N ATOM 718 CA LEU A 44 -12.429 -1.330 5.211 1.00 4.89 C ATOM 719 C LEU A 44 -13.760 -0.925 4.545 1.00 5.25 C ATOM 720 O LEU A 44 -14.761 -0.764 5.235 1.00 6.76 O ATOM 721 CB LEU A 44 -11.770 -0.098 5.859 1.00 5.81 C ATOM 722 CG LEU A 44 -10.724 0.702 5.042 1.00 4.65 C ATOM 723 CD1 LEU A 44 -11.144 1.096 3.623 1.00 4.39 C ATOM 724 CD2 LEU A 44 -10.277 1.941 5.823 1.00 5.44 C ATOM 0 H LEU A 44 -10.547 -1.480 4.337 1.00 3.28 H new ATOM 0 HA LEU A 44 -12.728 -2.084 5.939 1.00 4.89 H new ATOM 0 HB2 LEU A 44 -12.565 0.591 6.143 1.00 5.81 H new ATOM 0 HB3 LEU A 44 -11.289 -0.427 6.780 1.00 5.81 H new ATOM 0 HG LEU A 44 -9.895 0.008 4.902 1.00 4.65 H new ATOM 0 HD11 LEU A 44 -10.336 1.651 3.145 1.00 4.39 H new ATOM 0 HD12 LEU A 44 -11.359 0.198 3.044 1.00 4.39 H new ATOM 0 HD13 LEU A 44 -12.036 1.720 3.668 1.00 4.39 H new ATOM 0 HD21 LEU A 44 -9.542 2.494 5.238 1.00 5.44 H new ATOM 0 HD22 LEU A 44 -11.139 2.578 6.019 1.00 5.44 H new ATOM 0 HD23 LEU A 44 -9.831 1.634 6.769 1.00 5.44 H new ATOM 736 N GLY A 45 -13.784 -0.676 3.231 1.00 4.20 N ATOM 737 CA GLY A 45 -14.964 -0.248 2.461 1.00 4.68 C ATOM 738 C GLY A 45 -15.325 1.235 2.619 1.00 4.96 C ATOM 739 O GLY A 45 -15.840 1.832 1.685 1.00 5.39 O ATOM 0 H GLY A 45 -12.951 -0.770 2.649 1.00 4.20 H new ATOM 0 HA2 GLY A 45 -14.788 -0.455 1.405 1.00 4.68 H new ATOM 0 HA3 GLY A 45 -15.819 -0.851 2.766 1.00 4.68 H new ATOM 742 N GLU A 46 -15.018 1.835 3.767 1.00 5.35 N ATOM 743 CA GLU A 46 -15.448 3.174 4.199 1.00 6.21 C ATOM 744 C GLU A 46 -14.818 4.384 3.458 1.00 5.55 C ATOM 745 O GLU A 46 -14.832 5.488 3.992 1.00 6.78 O ATOM 746 CB GLU A 46 -15.238 3.245 5.727 1.00 7.63 C ATOM 747 CG GLU A 46 -13.768 3.407 6.134 1.00 7.71 C ATOM 748 CD GLU A 46 -13.543 3.185 7.630 1.00 9.01 C ATOM 749 OE1 GLU A 46 -13.672 4.141 8.425 1.00 10.24 O ATOM 750 OE2 GLU A 46 -13.131 2.064 8.011 1.00 9.20 O ATOM 0 H GLU A 46 -14.429 1.379 4.464 1.00 5.35 H new ATOM 0 HA GLU A 46 -16.497 3.281 3.924 1.00 6.21 H new ATOM 0 HB2 GLU A 46 -15.812 4.081 6.126 1.00 7.63 H new ATOM 0 HB3 GLU A 46 -15.636 2.338 6.183 1.00 7.63 H new ATOM 0 HG2 GLU A 46 -13.159 2.700 5.570 1.00 7.71 H new ATOM 0 HG3 GLU A 46 -13.428 4.407 5.864 1.00 7.71 H new ATOM 757 N MET A 47 -14.245 4.221 2.255 1.00 3.88 N ATOM 758 CA MET A 47 -13.421 5.255 1.600 1.00 3.57 C ATOM 759 C MET A 47 -13.706 5.425 0.096 1.00 2.82 C ATOM 760 O MET A 47 -14.781 5.089 -0.389 1.00 2.90 O ATOM 761 CB MET A 47 -11.934 4.995 1.917 1.00 3.60 C ATOM 762 CG MET A 47 -11.359 3.752 1.212 1.00 3.82 C ATOM 763 SD MET A 47 -9.548 3.649 1.207 1.00 4.86 S ATOM 764 CE MET A 47 -9.188 4.033 2.944 1.00 3.56 C ATOM 0 H MET A 47 -14.339 3.367 1.706 1.00 3.88 H new ATOM 0 HA MET A 47 -13.702 6.222 2.017 1.00 3.57 H new ATOM 0 HB2 MET A 47 -11.351 5.869 1.626 1.00 3.60 H new ATOM 0 HB3 MET A 47 -11.816 4.878 2.994 1.00 3.60 H new ATOM 0 HG2 MET A 47 -11.758 2.860 1.696 1.00 3.82 H new ATOM 0 HG3 MET A 47 -11.712 3.741 0.181 1.00 3.82 H new ATOM 0 HE1 MET A 47 -8.165 3.739 3.177 1.00 3.56 H new ATOM 0 HE2 MET A 47 -9.305 5.104 3.112 1.00 3.56 H new ATOM 0 HE3 MET A 47 -9.878 3.488 3.588 1.00 3.56 H new ATOM 774 N LYS A 48 -12.743 5.989 -0.644 1.00 2.88 N ATOM 775 CA LYS A 48 -12.791 6.269 -2.062 1.00 2.37 C ATOM 776 C LYS A 48 -13.166 5.037 -2.922 1.00 2.55 C ATOM 777 O LYS A 48 -12.634 3.942 -2.728 1.00 3.07 O ATOM 778 CB LYS A 48 -11.397 6.821 -2.376 1.00 2.39 C ATOM 779 CG LYS A 48 -11.386 7.680 -3.636 1.00 2.88 C ATOM 780 CD LYS A 48 -11.026 9.150 -3.376 1.00 4.18 C ATOM 781 CE LYS A 48 -11.946 9.934 -2.416 1.00 4.80 C ATOM 782 NZ LYS A 48 -11.671 11.402 -2.461 1.00 6.05 N ATOM 0 H LYS A 48 -11.857 6.276 -0.229 1.00 2.88 H new ATOM 0 HA LYS A 48 -13.581 6.978 -2.310 1.00 2.37 H new ATOM 0 HB2 LYS A 48 -11.044 7.413 -1.532 1.00 2.39 H new ATOM 0 HB3 LYS A 48 -10.699 5.992 -2.497 1.00 2.39 H new ATOM 0 HG2 LYS A 48 -10.673 7.260 -4.345 1.00 2.88 H new ATOM 0 HG3 LYS A 48 -12.368 7.633 -4.106 1.00 2.88 H new ATOM 0 HD2 LYS A 48 -10.012 9.186 -2.979 1.00 4.18 H new ATOM 0 HD3 LYS A 48 -11.012 9.671 -4.334 1.00 4.18 H new ATOM 0 HE2 LYS A 48 -12.988 9.751 -2.680 1.00 4.80 H new ATOM 0 HE3 LYS A 48 -11.806 9.569 -1.399 1.00 4.80 H new ATOM 0 HZ1 LYS A 48 -11.819 11.812 -1.517 1.00 6.05 H new ATOM 0 HZ2 LYS A 48 -10.687 11.562 -2.758 1.00 6.05 H new ATOM 0 HZ3 LYS A 48 -12.316 11.855 -3.140 1.00 6.05 H new ATOM 796 N GLU A 49 -14.076 5.265 -3.858 1.00 2.82 N ATOM 797 CA GLU A 49 -14.663 4.294 -4.781 1.00 3.44 C ATOM 798 C GLU A 49 -13.756 4.047 -5.997 1.00 2.99 C ATOM 799 O GLU A 49 -13.275 2.935 -6.187 1.00 3.41 O ATOM 800 CB GLU A 49 -16.084 4.736 -5.226 1.00 4.26 C ATOM 801 CG GLU A 49 -16.507 6.209 -5.013 1.00 4.75 C ATOM 802 CD GLU A 49 -15.463 7.236 -5.464 1.00 5.12 C ATOM 803 OE1 GLU A 49 -15.167 7.287 -6.677 1.00 5.01 O ATOM 804 OE2 GLU A 49 -14.839 7.842 -4.563 1.00 6.12 O ATOM 0 H GLU A 49 -14.453 6.201 -4.006 1.00 2.82 H new ATOM 0 HA GLU A 49 -14.755 3.349 -4.245 1.00 3.44 H new ATOM 0 HB2 GLU A 49 -16.181 4.515 -6.289 1.00 4.26 H new ATOM 0 HB3 GLU A 49 -16.804 4.107 -4.703 1.00 4.26 H new ATOM 0 HG2 GLU A 49 -17.435 6.390 -5.555 1.00 4.75 H new ATOM 0 HG3 GLU A 49 -16.719 6.365 -3.955 1.00 4.75 H new ATOM 811 N SER A 50 -13.516 5.069 -6.817 1.00 2.80 N ATOM 812 CA SER A 50 -12.664 5.007 -8.004 1.00 2.55 C ATOM 813 C SER A 50 -11.272 5.620 -7.747 1.00 2.46 C ATOM 814 O SER A 50 -10.866 5.837 -6.607 1.00 3.38 O ATOM 815 CB SER A 50 -13.403 5.688 -9.165 1.00 2.63 C ATOM 816 OG SER A 50 -12.772 5.429 -10.414 1.00 2.71 O ATOM 0 H SER A 50 -13.922 5.993 -6.669 1.00 2.80 H new ATOM 0 HA SER A 50 -12.474 3.966 -8.266 1.00 2.55 H new ATOM 0 HB2 SER A 50 -14.434 5.335 -9.198 1.00 2.63 H new ATOM 0 HB3 SER A 50 -13.440 6.764 -8.992 1.00 2.63 H new ATOM 0 HG SER A 50 -13.269 5.876 -11.131 1.00 2.71 H new ATOM 822 N SER A 51 -10.470 5.828 -8.797 1.00 2.00 N ATOM 823 CA SER A 51 -9.047 6.235 -8.749 1.00 1.96 C ATOM 824 C SER A 51 -8.145 5.092 -8.251 1.00 1.69 C ATOM 825 O SER A 51 -7.056 4.879 -8.775 1.00 1.84 O ATOM 826 CB SER A 51 -8.851 7.490 -7.875 1.00 2.34 C ATOM 827 OG SER A 51 -7.685 8.197 -8.252 1.00 2.80 O ATOM 0 H SER A 51 -10.805 5.713 -9.754 1.00 2.00 H new ATOM 0 HA SER A 51 -8.752 6.477 -9.770 1.00 1.96 H new ATOM 0 HB2 SER A 51 -9.720 8.141 -7.968 1.00 2.34 H new ATOM 0 HB3 SER A 51 -8.781 7.199 -6.827 1.00 2.34 H new ATOM 0 HG SER A 51 -7.585 8.989 -7.684 1.00 2.80 H new ATOM 833 N ILE A 52 -8.628 4.290 -7.295 1.00 1.57 N ATOM 834 CA ILE A 52 -7.991 3.058 -6.816 1.00 1.47 C ATOM 835 C ILE A 52 -7.795 2.013 -7.922 1.00 1.18 C ATOM 836 O ILE A 52 -6.842 1.237 -7.837 1.00 1.17 O ATOM 837 CB ILE A 52 -8.761 2.492 -5.592 1.00 1.75 C ATOM 838 CG1 ILE A 52 -10.140 1.864 -5.912 1.00 2.21 C ATOM 839 CG2 ILE A 52 -8.962 3.591 -4.526 1.00 2.06 C ATOM 840 CD1 ILE A 52 -10.085 0.357 -6.208 1.00 2.28 C ATOM 0 H ILE A 52 -9.506 4.489 -6.816 1.00 1.57 H new ATOM 0 HA ILE A 52 -6.983 3.317 -6.491 1.00 1.47 H new ATOM 0 HB ILE A 52 -8.129 1.684 -5.225 1.00 1.75 H new ATOM 0 HG12 ILE A 52 -10.810 2.034 -5.069 1.00 2.21 H new ATOM 0 HG13 ILE A 52 -10.571 2.377 -6.771 1.00 2.21 H new ATOM 0 HG21 ILE A 52 -9.503 3.178 -3.675 1.00 2.06 H new ATOM 0 HG22 ILE A 52 -7.991 3.958 -4.195 1.00 2.06 H new ATOM 0 HG23 ILE A 52 -9.534 4.414 -4.955 1.00 2.06 H new ATOM 0 HD11 ILE A 52 -11.089 -0.009 -6.423 1.00 2.28 H new ATOM 0 HD12 ILE A 52 -9.442 0.179 -7.070 1.00 2.28 H new ATOM 0 HD13 ILE A 52 -9.685 -0.170 -5.342 1.00 2.28 H new ATOM 852 N ASP A 53 -8.648 2.016 -8.957 1.00 1.10 N ATOM 853 CA ASP A 53 -8.491 1.170 -10.148 1.00 1.07 C ATOM 854 C ASP A 53 -7.163 1.439 -10.837 1.00 1.00 C ATOM 855 O ASP A 53 -6.416 0.499 -11.075 1.00 1.10 O ATOM 856 CB ASP A 53 -9.618 1.397 -11.177 1.00 1.61 C ATOM 857 CG ASP A 53 -9.338 0.644 -12.499 1.00 2.79 C ATOM 858 OD1 ASP A 53 -9.685 -0.552 -12.572 1.00 3.06 O ATOM 859 OD2 ASP A 53 -8.748 1.252 -13.430 1.00 4.11 O ATOM 0 H ASP A 53 -9.475 2.612 -8.990 1.00 1.10 H new ATOM 0 HA ASP A 53 -8.533 0.140 -9.794 1.00 1.07 H new ATOM 0 HB2 ASP A 53 -10.567 1.061 -10.759 1.00 1.61 H new ATOM 0 HB3 ASP A 53 -9.719 2.463 -11.379 1.00 1.61 H new ATOM 864 N ASP A 54 -6.857 2.697 -11.170 1.00 1.13 N ATOM 865 CA ASP A 54 -5.774 2.976 -12.117 1.00 1.24 C ATOM 866 C ASP A 54 -4.413 2.530 -11.574 1.00 1.04 C ATOM 867 O ASP A 54 -3.557 2.017 -12.293 1.00 1.12 O ATOM 868 CB ASP A 54 -5.788 4.454 -12.527 1.00 1.61 C ATOM 869 CG ASP A 54 -5.161 4.604 -13.910 1.00 1.95 C ATOM 870 OD1 ASP A 54 -5.901 4.335 -14.890 1.00 2.81 O ATOM 871 OD2 ASP A 54 -3.950 4.887 -13.991 1.00 2.36 O ATOM 0 H ASP A 54 -7.333 3.523 -10.806 1.00 1.13 H new ATOM 0 HA ASP A 54 -5.946 2.385 -13.016 1.00 1.24 H new ATOM 0 HB2 ASP A 54 -6.811 4.830 -12.537 1.00 1.61 H new ATOM 0 HB3 ASP A 54 -5.237 5.050 -11.799 1.00 1.61 H new ATOM 876 N LEU A 55 -4.283 2.625 -10.253 1.00 0.90 N ATOM 877 CA LEU A 55 -3.122 2.224 -9.482 1.00 0.85 C ATOM 878 C LEU A 55 -2.999 0.692 -9.411 1.00 0.80 C ATOM 879 O LEU A 55 -1.924 0.161 -9.703 1.00 0.85 O ATOM 880 CB LEU A 55 -3.230 2.921 -8.111 1.00 0.85 C ATOM 881 CG LEU A 55 -3.477 4.447 -8.181 1.00 1.04 C ATOM 882 CD1 LEU A 55 -3.532 5.011 -6.759 1.00 1.22 C ATOM 883 CD2 LEU A 55 -2.407 5.171 -9.015 1.00 1.14 C ATOM 0 H LEU A 55 -5.026 3.004 -9.667 1.00 0.90 H new ATOM 0 HA LEU A 55 -2.192 2.538 -9.957 1.00 0.85 H new ATOM 0 HB2 LEU A 55 -4.041 2.461 -7.547 1.00 0.85 H new ATOM 0 HB3 LEU A 55 -2.311 2.740 -7.553 1.00 0.85 H new ATOM 0 HG LEU A 55 -4.429 4.618 -8.683 1.00 1.04 H new ATOM 0 HD11 LEU A 55 -3.706 6.086 -6.801 1.00 1.22 H new ATOM 0 HD12 LEU A 55 -4.343 4.533 -6.209 1.00 1.22 H new ATOM 0 HD13 LEU A 55 -2.586 4.816 -6.253 1.00 1.22 H new ATOM 0 HD21 LEU A 55 -2.623 6.239 -9.035 1.00 1.14 H new ATOM 0 HD22 LEU A 55 -1.426 5.007 -8.569 1.00 1.14 H new ATOM 0 HD23 LEU A 55 -2.413 4.780 -10.033 1.00 1.14 H new ATOM 895 N MET A 56 -4.087 -0.032 -9.112 1.00 0.77 N ATOM 896 CA MET A 56 -4.142 -1.506 -9.201 1.00 0.82 C ATOM 897 C MET A 56 -3.767 -2.003 -10.611 1.00 0.90 C ATOM 898 O MET A 56 -2.881 -2.839 -10.785 1.00 1.09 O ATOM 899 CB MET A 56 -5.568 -1.983 -8.856 1.00 0.91 C ATOM 900 CG MET A 56 -5.988 -1.762 -7.401 1.00 1.00 C ATOM 901 SD MET A 56 -5.499 -3.091 -6.279 1.00 1.49 S ATOM 902 CE MET A 56 -4.177 -2.231 -5.404 1.00 1.62 C ATOM 0 H MET A 56 -4.962 0.388 -8.799 1.00 0.77 H new ATOM 0 HA MET A 56 -3.421 -1.916 -8.494 1.00 0.82 H new ATOM 0 HB2 MET A 56 -6.275 -1.467 -9.505 1.00 0.91 H new ATOM 0 HB3 MET A 56 -5.645 -3.046 -9.083 1.00 0.91 H new ATOM 0 HG2 MET A 56 -5.555 -0.826 -7.048 1.00 1.00 H new ATOM 0 HG3 MET A 56 -7.071 -1.648 -7.361 1.00 1.00 H new ATOM 0 HE1 MET A 56 -3.814 -2.856 -4.588 1.00 1.62 H new ATOM 0 HE2 MET A 56 -3.359 -2.024 -6.094 1.00 1.62 H new ATOM 0 HE3 MET A 56 -4.558 -1.293 -5.001 1.00 1.62 H new ATOM 912 N LYS A 57 -4.420 -1.429 -11.618 1.00 0.91 N ATOM 913 CA LYS A 57 -4.294 -1.693 -13.053 1.00 1.11 C ATOM 914 C LYS A 57 -2.920 -1.284 -13.634 1.00 1.20 C ATOM 915 O LYS A 57 -2.476 -1.850 -14.632 1.00 1.44 O ATOM 916 CB LYS A 57 -5.531 -1.002 -13.656 1.00 1.41 C ATOM 917 CG LYS A 57 -5.767 -1.104 -15.165 1.00 1.83 C ATOM 918 CD LYS A 57 -5.078 0.004 -15.968 1.00 3.59 C ATOM 919 CE LYS A 57 -5.352 1.441 -15.481 1.00 5.25 C ATOM 920 NZ LYS A 57 -6.791 1.791 -15.322 1.00 6.06 N ATOM 0 H LYS A 57 -5.113 -0.703 -11.437 1.00 0.91 H new ATOM 0 HA LYS A 57 -4.293 -2.753 -13.305 1.00 1.11 H new ATOM 0 HB2 LYS A 57 -6.412 -1.405 -13.156 1.00 1.41 H new ATOM 0 HB3 LYS A 57 -5.476 0.056 -13.401 1.00 1.41 H new ATOM 0 HG2 LYS A 57 -5.409 -2.072 -15.516 1.00 1.83 H new ATOM 0 HG3 LYS A 57 -6.839 -1.070 -15.360 1.00 1.83 H new ATOM 0 HD2 LYS A 57 -4.002 -0.170 -15.946 1.00 3.59 H new ATOM 0 HD3 LYS A 57 -5.393 -0.075 -17.009 1.00 3.59 H new ATOM 0 HE2 LYS A 57 -4.851 1.585 -14.524 1.00 5.25 H new ATOM 0 HE3 LYS A 57 -4.900 2.139 -16.186 1.00 5.25 H new ATOM 0 HZ1 LYS A 57 -6.886 2.818 -15.192 1.00 6.06 H new ATOM 0 HZ2 LYS A 57 -7.315 1.500 -16.172 1.00 6.06 H new ATOM 0 HZ3 LYS A 57 -7.178 1.300 -14.491 1.00 6.06 H new ATOM 934 N SER A 58 -2.202 -0.374 -12.977 1.00 1.07 N ATOM 935 CA SER A 58 -0.787 -0.089 -13.240 1.00 1.13 C ATOM 936 C SER A 58 0.145 -1.167 -12.677 1.00 1.16 C ATOM 937 O SER A 58 1.034 -1.620 -13.401 1.00 1.45 O ATOM 938 CB SER A 58 -0.410 1.295 -12.696 1.00 1.10 C ATOM 939 OG SER A 58 0.912 1.620 -13.096 1.00 1.64 O ATOM 0 H SER A 58 -2.594 0.200 -12.230 1.00 1.07 H new ATOM 0 HA SER A 58 -0.654 -0.094 -14.322 1.00 1.13 H new ATOM 0 HB2 SER A 58 -1.108 2.045 -13.068 1.00 1.10 H new ATOM 0 HB3 SER A 58 -0.484 1.302 -11.609 1.00 1.10 H new ATOM 0 HG SER A 58 1.151 2.505 -12.749 1.00 1.64 H new ATOM 945 N LEU A 59 -0.059 -1.646 -11.441 1.00 1.06 N ATOM 946 CA LEU A 59 0.783 -2.720 -10.886 1.00 1.11 C ATOM 947 C LEU A 59 0.685 -4.011 -11.697 1.00 1.13 C ATOM 948 O LEU A 59 1.704 -4.664 -11.923 1.00 1.19 O ATOM 949 CB LEU A 59 0.411 -2.993 -9.421 1.00 1.11 C ATOM 950 CG LEU A 59 0.728 -1.849 -8.445 1.00 1.14 C ATOM 951 CD1 LEU A 59 0.335 -2.290 -7.027 1.00 1.20 C ATOM 952 CD2 LEU A 59 2.210 -1.446 -8.495 1.00 1.27 C ATOM 0 H LEU A 59 -0.790 -1.313 -10.812 1.00 1.06 H new ATOM 0 HA LEU A 59 1.815 -2.375 -10.940 1.00 1.11 H new ATOM 0 HB2 LEU A 59 -0.656 -3.211 -9.367 1.00 1.11 H new ATOM 0 HB3 LEU A 59 0.936 -3.889 -9.090 1.00 1.11 H new ATOM 0 HG LEU A 59 0.154 -0.970 -8.737 1.00 1.14 H new ATOM 0 HD11 LEU A 59 0.554 -1.488 -6.323 1.00 1.20 H new ATOM 0 HD12 LEU A 59 -0.731 -2.516 -6.999 1.00 1.20 H new ATOM 0 HD13 LEU A 59 0.902 -3.179 -6.752 1.00 1.20 H new ATOM 0 HD21 LEU A 59 2.390 -0.635 -7.790 1.00 1.27 H new ATOM 0 HD22 LEU A 59 2.829 -2.303 -8.229 1.00 1.27 H new ATOM 0 HD23 LEU A 59 2.463 -1.115 -9.502 1.00 1.27 H new ATOM 964 N ASP A 60 -0.527 -4.349 -12.147 1.00 1.14 N ATOM 965 CA ASP A 60 -0.827 -5.577 -12.884 1.00 1.20 C ATOM 966 C ASP A 60 -0.164 -5.652 -14.267 1.00 1.20 C ATOM 967 O ASP A 60 0.026 -6.749 -14.800 1.00 1.38 O ATOM 968 CB ASP A 60 -2.356 -5.724 -12.980 1.00 1.30 C ATOM 969 CG ASP A 60 -2.762 -7.193 -13.109 1.00 1.80 C ATOM 970 OD1 ASP A 60 -2.745 -7.744 -14.231 1.00 2.73 O ATOM 971 OD2 ASP A 60 -2.926 -7.833 -12.046 1.00 2.47 O ATOM 0 H ASP A 60 -1.347 -3.760 -12.004 1.00 1.14 H new ATOM 0 HA ASP A 60 -0.398 -6.413 -12.331 1.00 1.20 H new ATOM 0 HB2 ASP A 60 -2.822 -5.291 -12.095 1.00 1.30 H new ATOM 0 HB3 ASP A 60 -2.725 -5.165 -13.840 1.00 1.30 H new ATOM 976 N LYS A 61 0.268 -4.516 -14.835 1.00 1.19 N ATOM 977 CA LYS A 61 0.984 -4.487 -16.102 1.00 1.30 C ATOM 978 C LYS A 61 2.241 -5.351 -16.162 1.00 1.30 C ATOM 979 O LYS A 61 2.618 -5.708 -17.281 1.00 1.51 O ATOM 980 CB LYS A 61 1.340 -3.033 -16.438 1.00 1.44 C ATOM 981 CG LYS A 61 0.136 -2.250 -16.952 1.00 1.84 C ATOM 982 CD LYS A 61 0.058 -2.259 -18.483 1.00 2.20 C ATOM 983 CE LYS A 61 0.079 -3.655 -19.145 1.00 4.03 C ATOM 984 NZ LYS A 61 1.440 -4.196 -19.430 1.00 5.61 N ATOM 0 H LYS A 61 0.126 -3.594 -14.421 1.00 1.19 H new ATOM 0 HA LYS A 61 0.307 -4.922 -16.837 1.00 1.30 H new ATOM 0 HB2 LYS A 61 1.737 -2.543 -15.549 1.00 1.44 H new ATOM 0 HB3 LYS A 61 2.129 -3.018 -17.190 1.00 1.44 H new ATOM 0 HG2 LYS A 61 -0.778 -2.678 -16.540 1.00 1.84 H new ATOM 0 HG3 LYS A 61 0.194 -1.221 -16.598 1.00 1.84 H new ATOM 0 HD2 LYS A 61 -0.856 -1.747 -18.785 1.00 2.20 H new ATOM 0 HD3 LYS A 61 0.893 -1.678 -18.875 1.00 2.20 H new ATOM 0 HE2 LYS A 61 -0.446 -4.356 -18.496 1.00 4.03 H new ATOM 0 HE3 LYS A 61 -0.479 -3.606 -20.080 1.00 4.03 H new ATOM 0 HZ1 LYS A 61 1.414 -4.760 -20.303 1.00 5.61 H new ATOM 0 HZ2 LYS A 61 2.109 -3.408 -19.546 1.00 5.61 H new ATOM 0 HZ3 LYS A 61 1.747 -4.797 -18.639 1.00 5.61 H new ATOM 998 N ASN A 62 2.830 -5.669 -15.013 1.00 1.22 N ATOM 999 CA ASN A 62 3.858 -6.687 -14.840 1.00 1.42 C ATOM 1000 C ASN A 62 3.554 -7.507 -13.573 1.00 1.45 C ATOM 1001 O ASN A 62 2.565 -7.302 -12.872 1.00 2.93 O ATOM 1002 CB ASN A 62 5.250 -6.028 -14.824 1.00 1.66 C ATOM 1003 CG ASN A 62 5.721 -5.698 -16.233 1.00 2.07 C ATOM 1004 OD1 ASN A 62 5.419 -4.638 -16.768 1.00 2.25 O ATOM 1005 ND2 ASN A 62 6.449 -6.596 -16.867 1.00 3.05 N ATOM 0 H ASN A 62 2.592 -5.202 -14.138 1.00 1.22 H new ATOM 0 HA ASN A 62 3.857 -7.384 -15.678 1.00 1.42 H new ATOM 0 HB2 ASN A 62 5.217 -5.117 -14.227 1.00 1.66 H new ATOM 0 HB3 ASN A 62 5.966 -6.697 -14.346 1.00 1.66 H new ATOM 0 HD21 ASN A 62 6.770 -6.413 -17.818 1.00 3.05 H new ATOM 0 HD22 ASN A 62 6.691 -7.473 -16.407 1.00 3.05 H new ATOM 1012 N SER A 63 4.390 -8.495 -13.302 1.00 1.91 N ATOM 1013 CA SER A 63 4.033 -9.626 -12.441 1.00 2.15 C ATOM 1014 C SER A 63 5.239 -10.501 -12.088 1.00 2.29 C ATOM 1015 O SER A 63 5.113 -11.609 -11.589 1.00 3.10 O ATOM 1016 CB SER A 63 2.908 -10.406 -13.131 1.00 2.30 C ATOM 1017 OG SER A 63 3.080 -10.595 -14.534 1.00 3.62 O ATOM 0 H SER A 63 5.340 -8.542 -13.671 1.00 1.91 H new ATOM 0 HA SER A 63 3.678 -9.258 -11.478 1.00 2.15 H new ATOM 0 HB2 SER A 63 2.819 -11.383 -12.656 1.00 2.30 H new ATOM 0 HB3 SER A 63 1.967 -9.883 -12.963 1.00 2.30 H new ATOM 0 HG SER A 63 4.006 -10.389 -14.781 1.00 3.62 H new ATOM 1023 N ASP A 64 6.421 -9.971 -12.373 1.00 2.07 N ATOM 1024 CA ASP A 64 7.592 -10.734 -12.817 1.00 2.65 C ATOM 1025 C ASP A 64 8.887 -9.972 -12.498 1.00 2.56 C ATOM 1026 O ASP A 64 9.980 -10.356 -12.895 1.00 3.12 O ATOM 1027 CB ASP A 64 7.442 -11.006 -14.328 1.00 3.15 C ATOM 1028 CG ASP A 64 6.867 -9.806 -15.096 1.00 4.72 C ATOM 1029 OD1 ASP A 64 7.579 -8.794 -15.294 1.00 6.38 O ATOM 1030 OD2 ASP A 64 5.636 -9.815 -15.340 1.00 4.68 O ATOM 0 H ASP A 64 6.602 -8.970 -12.301 1.00 2.07 H new ATOM 0 HA ASP A 64 7.652 -11.684 -12.286 1.00 2.65 H new ATOM 0 HB2 ASP A 64 8.416 -11.265 -14.744 1.00 3.15 H new ATOM 0 HB3 ASP A 64 6.793 -11.870 -14.474 1.00 3.15 H new ATOM 1035 N GLN A 65 8.738 -8.880 -11.752 1.00 2.04 N ATOM 1036 CA GLN A 65 9.799 -8.042 -11.229 1.00 1.92 C ATOM 1037 C GLN A 65 9.611 -8.004 -9.712 1.00 1.62 C ATOM 1038 O GLN A 65 8.455 -7.947 -9.265 1.00 1.52 O ATOM 1039 CB GLN A 65 9.660 -6.609 -11.768 1.00 1.84 C ATOM 1040 CG GLN A 65 9.512 -6.489 -13.296 1.00 2.23 C ATOM 1041 CD GLN A 65 10.629 -7.189 -14.065 1.00 3.18 C ATOM 1042 OE1 GLN A 65 11.805 -6.976 -13.825 1.00 4.68 O ATOM 1043 NE2 GLN A 65 10.323 -8.061 -14.996 1.00 3.60 N ATOM 0 H GLN A 65 7.814 -8.541 -11.484 1.00 2.04 H new ATOM 0 HA GLN A 65 10.774 -8.433 -11.519 1.00 1.92 H new ATOM 0 HB2 GLN A 65 8.793 -6.145 -11.299 1.00 1.84 H new ATOM 0 HB3 GLN A 65 10.534 -6.036 -11.459 1.00 1.84 H new ATOM 0 HG2 GLN A 65 8.553 -6.912 -13.596 1.00 2.23 H new ATOM 0 HG3 GLN A 65 9.496 -5.434 -13.571 1.00 2.23 H new ATOM 0 HE21 GLN A 65 9.345 -8.254 -15.212 1.00 3.60 H new ATOM 0 HE22 GLN A 65 11.063 -8.546 -15.503 1.00 3.60 H new ATOM 1052 N GLU A 66 10.712 -7.981 -8.952 1.00 1.52 N ATOM 1053 CA GLU A 66 10.663 -7.659 -7.522 1.00 1.34 C ATOM 1054 C GLU A 66 10.619 -6.146 -7.291 1.00 1.41 C ATOM 1055 O GLU A 66 10.965 -5.332 -8.146 1.00 1.46 O ATOM 1056 CB GLU A 66 11.845 -8.248 -6.723 1.00 1.27 C ATOM 1057 CG GLU A 66 11.793 -9.771 -6.558 1.00 1.25 C ATOM 1058 CD GLU A 66 12.910 -10.293 -5.645 1.00 1.62 C ATOM 1059 OE1 GLU A 66 12.985 -9.830 -4.477 1.00 2.54 O ATOM 1060 OE2 GLU A 66 13.675 -11.160 -6.107 1.00 2.23 O ATOM 0 H GLU A 66 11.648 -8.182 -9.304 1.00 1.52 H new ATOM 0 HA GLU A 66 9.745 -8.120 -7.157 1.00 1.34 H new ATOM 0 HB2 GLU A 66 12.776 -7.979 -7.222 1.00 1.27 H new ATOM 0 HB3 GLU A 66 11.867 -7.787 -5.736 1.00 1.27 H new ATOM 0 HG2 GLU A 66 10.825 -10.057 -6.146 1.00 1.25 H new ATOM 0 HG3 GLU A 66 11.875 -10.244 -7.537 1.00 1.25 H new ATOM 1067 N ILE A 67 10.150 -5.792 -6.101 1.00 1.40 N ATOM 1068 CA ILE A 67 9.782 -4.452 -5.655 1.00 1.11 C ATOM 1069 C ILE A 67 10.295 -4.249 -4.230 1.00 1.08 C ATOM 1070 O ILE A 67 10.153 -5.163 -3.423 1.00 1.08 O ATOM 1071 CB ILE A 67 8.238 -4.349 -5.662 1.00 1.09 C ATOM 1072 CG1 ILE A 67 7.660 -4.602 -7.070 1.00 2.01 C ATOM 1073 CG2 ILE A 67 7.836 -3.000 -5.071 1.00 1.77 C ATOM 1074 CD1 ILE A 67 6.143 -4.452 -7.150 1.00 2.25 C ATOM 0 H ILE A 67 10.006 -6.485 -5.367 1.00 1.40 H new ATOM 0 HA ILE A 67 10.214 -3.695 -6.310 1.00 1.11 H new ATOM 0 HB ILE A 67 7.807 -5.132 -5.038 1.00 1.09 H new ATOM 0 HG12 ILE A 67 8.122 -3.908 -7.772 1.00 2.01 H new ATOM 0 HG13 ILE A 67 7.934 -5.608 -7.389 1.00 2.01 H new ATOM 0 HG21 ILE A 67 6.749 -2.913 -5.069 1.00 1.77 H new ATOM 0 HG22 ILE A 67 8.208 -2.925 -4.049 1.00 1.77 H new ATOM 0 HG23 ILE A 67 8.263 -2.197 -5.672 1.00 1.77 H new ATOM 0 HD11 ILE A 67 5.812 -4.645 -8.170 1.00 2.25 H new ATOM 0 HD12 ILE A 67 5.671 -5.165 -6.474 1.00 2.25 H new ATOM 0 HD13 ILE A 67 5.862 -3.439 -6.863 1.00 2.25 H new ATOM 1086 N ASP A 68 10.788 -3.050 -3.897 1.00 1.06 N ATOM 1087 CA ASP A 68 11.098 -2.658 -2.518 1.00 0.99 C ATOM 1088 C ASP A 68 9.954 -1.874 -1.836 1.00 0.88 C ATOM 1089 O ASP A 68 9.017 -1.376 -2.470 1.00 1.11 O ATOM 1090 CB ASP A 68 12.453 -1.915 -2.457 1.00 1.17 C ATOM 1091 CG ASP A 68 12.492 -0.488 -3.028 1.00 1.23 C ATOM 1092 OD1 ASP A 68 11.465 0.051 -3.499 1.00 2.13 O ATOM 1093 OD2 ASP A 68 13.568 0.155 -2.986 1.00 2.30 O ATOM 0 H ASP A 68 10.984 -2.320 -4.582 1.00 1.06 H new ATOM 0 HA ASP A 68 11.194 -3.573 -1.934 1.00 0.99 H new ATOM 0 HB2 ASP A 68 12.769 -1.872 -1.415 1.00 1.17 H new ATOM 0 HB3 ASP A 68 13.192 -2.514 -2.990 1.00 1.17 H new ATOM 1098 N PHE A 69 10.072 -1.730 -0.514 1.00 0.75 N ATOM 1099 CA PHE A 69 9.113 -1.078 0.392 1.00 0.64 C ATOM 1100 C PHE A 69 8.675 0.341 -0.046 1.00 0.62 C ATOM 1101 O PHE A 69 7.690 0.884 0.448 1.00 0.63 O ATOM 1102 CB PHE A 69 9.801 -1.036 1.767 1.00 0.76 C ATOM 1103 CG PHE A 69 8.892 -1.027 2.979 1.00 1.10 C ATOM 1104 CD1 PHE A 69 8.323 0.167 3.468 1.00 2.68 C ATOM 1105 CD2 PHE A 69 8.688 -2.229 3.681 1.00 1.98 C ATOM 1106 CE1 PHE A 69 7.587 0.165 4.664 1.00 3.25 C ATOM 1107 CE2 PHE A 69 7.948 -2.231 4.872 1.00 2.67 C ATOM 1108 CZ PHE A 69 7.410 -1.033 5.372 1.00 2.80 C ATOM 0 H PHE A 69 10.887 -2.085 -0.014 1.00 0.75 H new ATOM 0 HA PHE A 69 8.184 -1.648 0.397 1.00 0.64 H new ATOM 0 HB2 PHE A 69 10.463 -1.899 1.844 1.00 0.76 H new ATOM 0 HB3 PHE A 69 10.430 -0.147 1.806 1.00 0.76 H new ATOM 0 HD1 PHE A 69 8.454 1.088 2.920 1.00 2.68 H new ATOM 0 HD2 PHE A 69 9.102 -3.152 3.302 1.00 1.98 H new ATOM 0 HE1 PHE A 69 7.158 1.083 5.038 1.00 3.25 H new ATOM 0 HE2 PHE A 69 7.791 -3.156 5.407 1.00 2.67 H new ATOM 0 HZ PHE A 69 6.860 -1.035 6.302 1.00 2.80 H new ATOM 1118 N LYS A 70 9.401 0.961 -0.982 1.00 0.67 N ATOM 1119 CA LYS A 70 9.224 2.328 -1.455 1.00 0.70 C ATOM 1120 C LYS A 70 8.038 2.469 -2.411 1.00 0.67 C ATOM 1121 O LYS A 70 7.266 3.417 -2.274 1.00 0.68 O ATOM 1122 CB LYS A 70 10.523 2.662 -2.178 1.00 0.78 C ATOM 1123 CG LYS A 70 10.813 4.150 -2.355 1.00 1.34 C ATOM 1124 CD LYS A 70 12.222 4.348 -2.942 1.00 1.73 C ATOM 1125 CE LYS A 70 12.399 3.763 -4.357 1.00 2.89 C ATOM 1126 NZ LYS A 70 12.754 2.319 -4.375 1.00 3.44 N ATOM 0 H LYS A 70 10.172 0.490 -1.454 1.00 0.67 H new ATOM 0 HA LYS A 70 9.011 3.000 -0.624 1.00 0.70 H new ATOM 0 HB2 LYS A 70 11.350 2.211 -1.629 1.00 0.78 H new ATOM 0 HB3 LYS A 70 10.501 2.194 -3.162 1.00 0.78 H new ATOM 0 HG2 LYS A 70 10.070 4.597 -3.015 1.00 1.34 H new ATOM 0 HG3 LYS A 70 10.735 4.660 -1.395 1.00 1.34 H new ATOM 0 HD2 LYS A 70 12.446 5.414 -2.970 1.00 1.73 H new ATOM 0 HD3 LYS A 70 12.950 3.886 -2.275 1.00 1.73 H new ATOM 0 HE2 LYS A 70 11.475 3.906 -4.916 1.00 2.89 H new ATOM 0 HE3 LYS A 70 13.176 4.324 -4.876 1.00 2.89 H new ATOM 0 HZ1 LYS A 70 13.425 2.136 -5.148 1.00 3.44 H new ATOM 0 HZ2 LYS A 70 13.191 2.058 -3.468 1.00 3.44 H new ATOM 0 HZ3 LYS A 70 11.894 1.752 -4.521 1.00 3.44 H new ATOM 1140 N GLU A 71 7.888 1.525 -3.350 1.00 0.67 N ATOM 1141 CA GLU A 71 6.699 1.442 -4.201 1.00 0.64 C ATOM 1142 C GLU A 71 5.455 1.261 -3.327 1.00 0.61 C ATOM 1143 O GLU A 71 4.429 1.899 -3.533 1.00 0.68 O ATOM 1144 CB GLU A 71 6.801 0.256 -5.160 1.00 0.73 C ATOM 1145 CG GLU A 71 7.929 0.383 -6.197 1.00 0.88 C ATOM 1146 CD GLU A 71 7.503 -0.243 -7.535 1.00 1.62 C ATOM 1147 OE1 GLU A 71 6.538 0.270 -8.136 1.00 2.51 O ATOM 1148 OE2 GLU A 71 8.068 -1.269 -7.973 1.00 2.88 O ATOM 0 H GLU A 71 8.584 0.803 -3.538 1.00 0.67 H new ATOM 0 HA GLU A 71 6.626 2.364 -4.778 1.00 0.64 H new ATOM 0 HB2 GLU A 71 6.956 -0.654 -4.580 1.00 0.73 H new ATOM 0 HB3 GLU A 71 5.852 0.143 -5.684 1.00 0.73 H new ATOM 0 HG2 GLU A 71 8.180 1.434 -6.344 1.00 0.88 H new ATOM 0 HG3 GLU A 71 8.828 -0.111 -5.828 1.00 0.88 H new ATOM 1155 N TYR A 72 5.596 0.454 -2.273 1.00 0.57 N ATOM 1156 CA TYR A 72 4.514 0.181 -1.320 1.00 0.51 C ATOM 1157 C TYR A 72 4.113 1.444 -0.545 1.00 0.51 C ATOM 1158 O TYR A 72 2.924 1.747 -0.408 1.00 0.51 O ATOM 1159 CB TYR A 72 4.968 -0.984 -0.427 1.00 0.52 C ATOM 1160 CG TYR A 72 4.287 -1.125 0.918 1.00 0.56 C ATOM 1161 CD1 TYR A 72 3.156 -1.949 1.069 1.00 1.67 C ATOM 1162 CD2 TYR A 72 4.873 -0.523 2.049 1.00 2.26 C ATOM 1163 CE1 TYR A 72 2.637 -2.207 2.357 1.00 1.51 C ATOM 1164 CE2 TYR A 72 4.355 -0.769 3.331 1.00 2.53 C ATOM 1165 CZ TYR A 72 3.256 -1.638 3.491 1.00 1.02 C ATOM 1166 OH TYR A 72 2.837 -1.940 4.748 1.00 1.36 O ATOM 0 H TYR A 72 6.466 -0.031 -2.054 1.00 0.57 H new ATOM 0 HA TYR A 72 3.601 -0.115 -1.837 1.00 0.51 H new ATOM 0 HB2 TYR A 72 4.821 -1.912 -0.980 1.00 0.52 H new ATOM 0 HB3 TYR A 72 6.039 -0.881 -0.255 1.00 0.52 H new ATOM 0 HD1 TYR A 72 2.685 -2.384 0.200 1.00 1.67 H new ATOM 0 HD2 TYR A 72 5.724 0.131 1.930 1.00 2.26 H new ATOM 0 HE1 TYR A 72 1.769 -2.838 2.474 1.00 1.51 H new ATOM 0 HE2 TYR A 72 4.798 -0.293 4.193 1.00 2.53 H new ATOM 0 HH TYR A 72 3.576 -2.340 5.252 1.00 1.36 H new ATOM 1176 N SER A 73 5.085 2.232 -0.077 1.00 0.56 N ATOM 1177 CA SER A 73 4.816 3.467 0.663 1.00 0.59 C ATOM 1178 C SER A 73 4.360 4.635 -0.218 1.00 0.59 C ATOM 1179 O SER A 73 3.451 5.346 0.215 1.00 0.61 O ATOM 1180 CB SER A 73 6.016 3.844 1.534 1.00 0.64 C ATOM 1181 OG SER A 73 7.198 4.034 0.793 1.00 1.09 O ATOM 0 H SER A 73 6.078 2.032 -0.200 1.00 0.56 H new ATOM 0 HA SER A 73 3.965 3.257 1.311 1.00 0.59 H new ATOM 0 HB2 SER A 73 5.787 4.758 2.082 1.00 0.64 H new ATOM 0 HB3 SER A 73 6.180 3.061 2.274 1.00 0.64 H new ATOM 0 HG SER A 73 7.960 4.105 1.405 1.00 1.09 H new ATOM 1187 N VAL A 74 4.866 4.819 -1.449 1.00 0.59 N ATOM 1188 CA VAL A 74 4.310 5.854 -2.346 1.00 0.60 C ATOM 1189 C VAL A 74 2.890 5.521 -2.812 1.00 0.63 C ATOM 1190 O VAL A 74 2.088 6.434 -2.959 1.00 0.65 O ATOM 1191 CB VAL A 74 5.174 6.194 -3.579 1.00 0.65 C ATOM 1192 CG1 VAL A 74 6.548 6.731 -3.163 1.00 0.68 C ATOM 1193 CG2 VAL A 74 5.326 5.063 -4.604 1.00 0.69 C ATOM 0 H VAL A 74 5.639 4.282 -1.841 1.00 0.59 H new ATOM 0 HA VAL A 74 4.299 6.742 -1.714 1.00 0.60 H new ATOM 0 HB VAL A 74 4.614 6.974 -4.095 1.00 0.65 H new ATOM 0 HG11 VAL A 74 7.133 6.961 -4.053 1.00 0.68 H new ATOM 0 HG12 VAL A 74 6.420 7.636 -2.568 1.00 0.68 H new ATOM 0 HG13 VAL A 74 7.069 5.978 -2.571 1.00 0.68 H new ATOM 0 HG21 VAL A 74 5.950 5.403 -5.431 1.00 0.69 H new ATOM 0 HG22 VAL A 74 5.792 4.201 -4.128 1.00 0.69 H new ATOM 0 HG23 VAL A 74 4.344 4.781 -4.983 1.00 0.69 H new ATOM 1203 N PHE A 75 2.552 4.240 -2.991 1.00 0.63 N ATOM 1204 CA PHE A 75 1.216 3.801 -3.405 1.00 0.61 C ATOM 1205 C PHE A 75 0.182 4.056 -2.305 1.00 0.62 C ATOM 1206 O PHE A 75 -0.880 4.607 -2.578 1.00 0.61 O ATOM 1207 CB PHE A 75 1.300 2.311 -3.761 1.00 0.61 C ATOM 1208 CG PHE A 75 0.095 1.736 -4.474 1.00 0.57 C ATOM 1209 CD1 PHE A 75 -1.099 1.446 -3.781 1.00 1.95 C ATOM 1210 CD2 PHE A 75 0.190 1.451 -5.846 1.00 1.67 C ATOM 1211 CE1 PHE A 75 -2.190 0.873 -4.462 1.00 2.00 C ATOM 1212 CE2 PHE A 75 -0.896 0.881 -6.519 1.00 1.62 C ATOM 1213 CZ PHE A 75 -2.087 0.595 -5.838 1.00 0.61 C ATOM 0 H PHE A 75 3.206 3.470 -2.851 1.00 0.63 H new ATOM 0 HA PHE A 75 0.888 4.372 -4.274 1.00 0.61 H new ATOM 0 HB2 PHE A 75 2.178 2.155 -4.388 1.00 0.61 H new ATOM 0 HB3 PHE A 75 1.459 1.746 -2.843 1.00 0.61 H new ATOM 0 HD1 PHE A 75 -1.176 1.664 -2.726 1.00 1.95 H new ATOM 0 HD2 PHE A 75 1.101 1.672 -6.382 1.00 1.67 H new ATOM 0 HE1 PHE A 75 -3.103 0.648 -3.930 1.00 2.00 H new ATOM 0 HE2 PHE A 75 -0.816 0.659 -7.573 1.00 1.62 H new ATOM 0 HZ PHE A 75 -2.923 0.163 -6.367 1.00 0.61 H new ATOM 1223 N LEU A 76 0.503 3.712 -1.054 1.00 0.65 N ATOM 1224 CA LEU A 76 -0.359 3.984 0.101 1.00 0.64 C ATOM 1225 C LEU A 76 -0.475 5.486 0.392 1.00 0.64 C ATOM 1226 O LEU A 76 -1.569 5.952 0.701 1.00 0.70 O ATOM 1227 CB LEU A 76 0.191 3.239 1.324 1.00 0.59 C ATOM 1228 CG LEU A 76 0.138 1.702 1.212 1.00 0.65 C ATOM 1229 CD1 LEU A 76 1.017 1.109 2.317 1.00 0.95 C ATOM 1230 CD2 LEU A 76 -1.295 1.161 1.315 1.00 0.73 C ATOM 0 H LEU A 76 1.372 3.235 -0.813 1.00 0.65 H new ATOM 0 HA LEU A 76 -1.364 3.629 -0.129 1.00 0.64 H new ATOM 0 HB2 LEU A 76 1.225 3.544 1.485 1.00 0.59 H new ATOM 0 HB3 LEU A 76 -0.373 3.546 2.205 1.00 0.59 H new ATOM 0 HG LEU A 76 0.509 1.409 0.230 1.00 0.65 H new ATOM 0 HD11 LEU A 76 0.994 0.021 2.256 1.00 0.95 H new ATOM 0 HD12 LEU A 76 2.042 1.458 2.193 1.00 0.95 H new ATOM 0 HD13 LEU A 76 0.642 1.426 3.290 1.00 0.95 H new ATOM 0 HD21 LEU A 76 -1.281 0.074 1.231 1.00 0.73 H new ATOM 0 HD22 LEU A 76 -1.723 1.445 2.277 1.00 0.73 H new ATOM 0 HD23 LEU A 76 -1.901 1.579 0.511 1.00 0.73 H new ATOM 1242 N THR A 77 0.621 6.239 0.243 1.00 0.62 N ATOM 1243 CA THR A 77 0.631 7.706 0.369 1.00 0.64 C ATOM 1244 C THR A 77 -0.263 8.340 -0.689 1.00 0.68 C ATOM 1245 O THR A 77 -1.131 9.147 -0.357 1.00 0.71 O ATOM 1246 CB THR A 77 2.063 8.234 0.267 1.00 0.65 C ATOM 1247 OG1 THR A 77 2.806 7.688 1.323 1.00 0.67 O ATOM 1248 CG2 THR A 77 2.112 9.758 0.355 1.00 0.74 C ATOM 0 H THR A 77 1.537 5.845 0.029 1.00 0.62 H new ATOM 0 HA THR A 77 0.235 7.978 1.348 1.00 0.64 H new ATOM 0 HB THR A 77 2.475 7.944 -0.700 1.00 0.65 H new ATOM 0 HG1 THR A 77 3.017 6.752 1.125 1.00 0.67 H new ATOM 0 HG21 THR A 77 3.146 10.094 0.279 1.00 0.74 H new ATOM 0 HG22 THR A 77 1.530 10.188 -0.460 1.00 0.74 H new ATOM 0 HG23 THR A 77 1.695 10.081 1.309 1.00 0.74 H new ATOM 1256 N MET A 78 -0.102 7.921 -1.943 1.00 0.69 N ATOM 1257 CA MET A 78 -0.940 8.300 -3.081 1.00 0.70 C ATOM 1258 C MET A 78 -2.417 7.989 -2.825 1.00 0.76 C ATOM 1259 O MET A 78 -3.260 8.858 -3.037 1.00 0.89 O ATOM 1260 CB MET A 78 -0.383 7.598 -4.328 1.00 0.72 C ATOM 1261 CG MET A 78 -1.220 7.804 -5.586 1.00 1.25 C ATOM 1262 SD MET A 78 -0.375 7.431 -7.148 1.00 1.42 S ATOM 1263 CE MET A 78 0.434 5.856 -6.769 1.00 1.28 C ATOM 0 H MET A 78 0.648 7.281 -2.206 1.00 0.69 H new ATOM 0 HA MET A 78 -0.906 9.378 -3.237 1.00 0.70 H new ATOM 0 HB2 MET A 78 0.628 7.960 -4.514 1.00 0.72 H new ATOM 0 HB3 MET A 78 -0.307 6.530 -4.126 1.00 0.72 H new ATOM 0 HG2 MET A 78 -2.111 7.180 -5.516 1.00 1.25 H new ATOM 0 HG3 MET A 78 -1.557 8.840 -5.613 1.00 1.25 H new ATOM 0 HE1 MET A 78 0.792 5.399 -7.692 1.00 1.28 H new ATOM 0 HE2 MET A 78 1.277 6.032 -6.101 1.00 1.28 H new ATOM 0 HE3 MET A 78 -0.279 5.188 -6.286 1.00 1.28 H new ATOM 1273 N LEU A 79 -2.741 6.798 -2.305 1.00 0.75 N ATOM 1274 CA LEU A 79 -4.115 6.452 -1.931 1.00 0.88 C ATOM 1275 C LEU A 79 -4.656 7.384 -0.837 1.00 0.93 C ATOM 1276 O LEU A 79 -5.763 7.892 -0.970 1.00 1.04 O ATOM 1277 CB LEU A 79 -4.193 4.968 -1.506 1.00 1.02 C ATOM 1278 CG LEU A 79 -5.401 4.194 -2.074 1.00 0.95 C ATOM 1279 CD1 LEU A 79 -6.747 4.883 -1.805 1.00 2.04 C ATOM 1280 CD2 LEU A 79 -5.236 3.944 -3.577 1.00 2.06 C ATOM 0 H LEU A 79 -2.064 6.055 -2.134 1.00 0.75 H new ATOM 0 HA LEU A 79 -4.753 6.592 -2.804 1.00 0.88 H new ATOM 0 HB2 LEU A 79 -3.278 4.466 -1.820 1.00 1.02 H new ATOM 0 HB3 LEU A 79 -4.227 4.918 -0.418 1.00 1.02 H new ATOM 0 HG LEU A 79 -5.418 3.241 -1.545 1.00 0.95 H new ATOM 0 HD11 LEU A 79 -7.553 4.286 -2.231 1.00 2.04 H new ATOM 0 HD12 LEU A 79 -6.897 4.981 -0.730 1.00 2.04 H new ATOM 0 HD13 LEU A 79 -6.747 5.872 -2.263 1.00 2.04 H new ATOM 0 HD21 LEU A 79 -6.101 3.397 -3.952 1.00 2.06 H new ATOM 0 HD22 LEU A 79 -5.156 4.898 -4.098 1.00 2.06 H new ATOM 0 HD23 LEU A 79 -4.333 3.359 -3.752 1.00 2.06 H new ATOM 1292 N CYS A 80 -3.886 7.642 0.221 1.00 0.90 N ATOM 1293 CA CYS A 80 -4.346 8.446 1.357 1.00 0.94 C ATOM 1294 C CYS A 80 -4.569 9.924 0.987 1.00 1.09 C ATOM 1295 O CYS A 80 -5.597 10.503 1.336 1.00 1.23 O ATOM 1296 CB CYS A 80 -3.360 8.224 2.510 1.00 0.93 C ATOM 1297 SG CYS A 80 -4.048 8.915 4.036 1.00 1.11 S ATOM 0 H CYS A 80 -2.929 7.302 0.316 1.00 0.90 H new ATOM 0 HA CYS A 80 -5.336 8.121 1.678 1.00 0.94 H new ATOM 0 HB2 CYS A 80 -3.165 7.159 2.636 1.00 0.93 H new ATOM 0 HB3 CYS A 80 -2.405 8.698 2.282 1.00 0.93 H new ATOM 0 HG CYS A 80 -3.221 9.789 4.528 1.00 1.11 H new ATOM 1303 N MET A 81 -3.675 10.525 0.190 1.00 1.13 N ATOM 1304 CA MET A 81 -3.886 11.884 -0.328 1.00 1.28 C ATOM 1305 C MET A 81 -5.042 11.958 -1.339 1.00 1.40 C ATOM 1306 O MET A 81 -5.670 13.012 -1.439 1.00 1.71 O ATOM 1307 CB MET A 81 -2.563 12.497 -0.812 1.00 1.38 C ATOM 1308 CG MET A 81 -1.988 11.915 -2.111 1.00 1.57 C ATOM 1309 SD MET A 81 -2.781 12.414 -3.667 1.00 3.25 S ATOM 1310 CE MET A 81 -2.656 14.215 -3.527 1.00 3.69 C ATOM 0 H MET A 81 -2.801 10.093 -0.110 1.00 1.13 H new ATOM 0 HA MET A 81 -4.221 12.517 0.494 1.00 1.28 H new ATOM 0 HB2 MET A 81 -2.711 13.568 -0.951 1.00 1.38 H new ATOM 0 HB3 MET A 81 -1.820 12.378 -0.023 1.00 1.38 H new ATOM 0 HG2 MET A 81 -0.934 12.188 -2.166 1.00 1.57 H new ATOM 0 HG3 MET A 81 -2.032 10.828 -2.043 1.00 1.57 H new ATOM 0 HE1 MET A 81 -2.724 14.663 -4.519 1.00 3.69 H new ATOM 0 HE2 MET A 81 -3.468 14.589 -2.904 1.00 3.69 H new ATOM 0 HE3 MET A 81 -1.700 14.479 -3.074 1.00 3.69 H new ATOM 1320 N ALA A 82 -5.402 10.849 -1.998 1.00 1.28 N ATOM 1321 CA ALA A 82 -6.588 10.793 -2.848 1.00 1.44 C ATOM 1322 C ALA A 82 -7.917 10.963 -2.083 1.00 1.53 C ATOM 1323 O ALA A 82 -8.915 11.302 -2.719 1.00 1.89 O ATOM 1324 CB ALA A 82 -6.570 9.515 -3.700 1.00 1.44 C ATOM 0 H ALA A 82 -4.880 9.974 -1.955 1.00 1.28 H new ATOM 0 HA ALA A 82 -6.541 11.658 -3.510 1.00 1.44 H new ATOM 0 HB1 ALA A 82 -7.459 9.485 -4.329 1.00 1.44 H new ATOM 0 HB2 ALA A 82 -5.680 9.510 -4.329 1.00 1.44 H new ATOM 0 HB3 ALA A 82 -6.558 8.642 -3.047 1.00 1.44 H new ATOM 1330 N TYR A 83 -7.970 10.738 -0.758 1.00 1.34 N ATOM 1331 CA TYR A 83 -9.178 10.909 0.075 1.00 1.48 C ATOM 1332 C TYR A 83 -9.047 11.858 1.280 1.00 1.51 C ATOM 1333 O TYR A 83 -10.043 12.128 1.953 1.00 1.97 O ATOM 1334 CB TYR A 83 -9.746 9.542 0.490 1.00 1.75 C ATOM 1335 CG TYR A 83 -8.888 8.675 1.392 1.00 1.97 C ATOM 1336 CD1 TYR A 83 -8.781 8.931 2.777 1.00 3.35 C ATOM 1337 CD2 TYR A 83 -8.269 7.534 0.857 1.00 1.73 C ATOM 1338 CE1 TYR A 83 -8.050 8.063 3.614 1.00 3.62 C ATOM 1339 CE2 TYR A 83 -7.537 6.673 1.684 1.00 1.91 C ATOM 1340 CZ TYR A 83 -7.414 6.926 3.067 1.00 2.53 C ATOM 1341 OH TYR A 83 -6.713 6.035 3.822 1.00 2.82 O ATOM 0 H TYR A 83 -7.159 10.426 -0.224 1.00 1.34 H new ATOM 0 HA TYR A 83 -9.886 11.425 -0.574 1.00 1.48 H new ATOM 0 HB2 TYR A 83 -10.699 9.711 0.992 1.00 1.75 H new ATOM 0 HB3 TYR A 83 -9.960 8.976 -0.417 1.00 1.75 H new ATOM 0 HD1 TYR A 83 -9.264 9.800 3.199 1.00 3.35 H new ATOM 0 HD2 TYR A 83 -8.358 7.319 -0.198 1.00 1.73 H new ATOM 0 HE1 TYR A 83 -7.976 8.267 4.672 1.00 3.62 H new ATOM 0 HE2 TYR A 83 -7.060 5.803 1.257 1.00 1.91 H new ATOM 0 HH TYR A 83 -7.264 5.742 4.578 1.00 2.82 H new ATOM 1351 N ASN A 84 -7.872 12.448 1.510 1.00 1.39 N ATOM 1352 CA ASN A 84 -7.708 13.583 2.421 1.00 1.57 C ATOM 1353 C ASN A 84 -8.209 14.899 1.804 1.00 1.44 C ATOM 1354 O ASN A 84 -7.510 15.915 1.788 1.00 1.95 O ATOM 1355 CB ASN A 84 -6.260 13.646 2.943 1.00 1.86 C ATOM 1356 CG ASN A 84 -5.907 12.499 3.885 1.00 2.33 C ATOM 1357 OD1 ASN A 84 -6.750 11.927 4.556 1.00 3.46 O ATOM 1358 ND2 ASN A 84 -4.634 12.155 3.987 1.00 2.48 N ATOM 0 H ASN A 84 -7.003 12.150 1.067 1.00 1.39 H new ATOM 0 HA ASN A 84 -8.346 13.428 3.291 1.00 1.57 H new ATOM 0 HB2 ASN A 84 -5.575 13.635 2.095 1.00 1.86 H new ATOM 0 HB3 ASN A 84 -6.109 14.593 3.462 1.00 1.86 H new ATOM 0 HD21 ASN A 84 -4.357 11.411 4.627 1.00 2.48 H new ATOM 0 HD22 ASN A 84 -3.930 12.634 3.426 1.00 2.48 H new ATOM 1365 N ASP A 85 -9.471 14.912 1.363 1.00 1.39 N ATOM 1366 CA ASP A 85 -10.151 16.111 0.872 1.00 1.62 C ATOM 1367 C ASP A 85 -10.265 17.180 1.984 1.00 2.07 C ATOM 1368 O ASP A 85 -10.110 18.370 1.727 1.00 2.54 O ATOM 1369 CB ASP A 85 -11.523 15.697 0.308 1.00 2.06 C ATOM 1370 CG ASP A 85 -11.443 14.623 -0.794 1.00 2.99 C ATOM 1371 OD1 ASP A 85 -11.028 14.936 -1.925 1.00 3.96 O ATOM 1372 OD2 ASP A 85 -11.784 13.442 -0.517 1.00 3.75 O ATOM 0 H ASP A 85 -10.056 14.077 1.337 1.00 1.39 H new ATOM 0 HA ASP A 85 -9.571 16.572 0.073 1.00 1.62 H new ATOM 0 HB2 ASP A 85 -12.143 15.323 1.123 1.00 2.06 H new ATOM 0 HB3 ASP A 85 -12.022 16.579 -0.093 1.00 2.06 H new ATOM 1377 N PHE A 86 -10.385 16.753 3.248 1.00 2.39 N ATOM 1378 CA PHE A 86 -10.303 17.611 4.439 1.00 3.19 C ATOM 1379 C PHE A 86 -8.942 18.331 4.606 1.00 3.31 C ATOM 1380 O PHE A 86 -8.838 19.311 5.348 1.00 4.17 O ATOM 1381 CB PHE A 86 -10.632 16.722 5.650 1.00 3.69 C ATOM 1382 CG PHE A 86 -10.636 17.435 6.991 1.00 5.28 C ATOM 1383 CD1 PHE A 86 -11.698 18.295 7.328 1.00 6.21 C ATOM 1384 CD2 PHE A 86 -9.574 17.242 7.893 1.00 6.54 C ATOM 1385 CE1 PHE A 86 -11.697 18.964 8.564 1.00 8.00 C ATOM 1386 CE2 PHE A 86 -9.569 17.919 9.128 1.00 8.51 C ATOM 1387 CZ PHE A 86 -10.631 18.779 9.465 1.00 9.11 C ATOM 0 H PHE A 86 -10.547 15.772 3.478 1.00 2.39 H new ATOM 0 HA PHE A 86 -11.017 18.428 4.339 1.00 3.19 H new ATOM 0 HB2 PHE A 86 -11.611 16.270 5.494 1.00 3.69 H new ATOM 0 HB3 PHE A 86 -9.908 15.908 5.691 1.00 3.69 H new ATOM 0 HD1 PHE A 86 -12.514 18.441 6.636 1.00 6.21 H new ATOM 0 HD2 PHE A 86 -8.763 16.575 7.639 1.00 6.54 H new ATOM 0 HE1 PHE A 86 -12.515 19.621 8.823 1.00 8.00 H new ATOM 0 HE2 PHE A 86 -8.749 17.778 9.817 1.00 8.51 H new ATOM 0 HZ PHE A 86 -10.628 19.296 10.413 1.00 9.11 H new ATOM 1397 N PHE A 87 -7.879 17.867 3.933 1.00 2.70 N ATOM 1398 CA PHE A 87 -6.579 18.545 3.907 1.00 3.13 C ATOM 1399 C PHE A 87 -6.428 19.542 2.744 1.00 3.26 C ATOM 1400 O PHE A 87 -5.553 20.406 2.825 1.00 3.65 O ATOM 1401 CB PHE A 87 -5.429 17.521 3.907 1.00 3.05 C ATOM 1402 CG PHE A 87 -5.147 16.752 5.194 1.00 3.13 C ATOM 1403 CD1 PHE A 87 -5.896 16.937 6.377 1.00 3.71 C ATOM 1404 CD2 PHE A 87 -4.057 15.859 5.211 1.00 3.62 C ATOM 1405 CE1 PHE A 87 -5.563 16.232 7.547 1.00 4.51 C ATOM 1406 CE2 PHE A 87 -3.718 15.162 6.382 1.00 4.30 C ATOM 1407 CZ PHE A 87 -4.473 15.345 7.551 1.00 4.65 C ATOM 0 H PHE A 87 -7.899 17.005 3.388 1.00 2.70 H new ATOM 0 HA PHE A 87 -6.528 19.138 4.820 1.00 3.13 H new ATOM 0 HB2 PHE A 87 -5.632 16.793 3.122 1.00 3.05 H new ATOM 0 HB3 PHE A 87 -4.516 18.046 3.626 1.00 3.05 H new ATOM 0 HD1 PHE A 87 -6.729 17.624 6.383 1.00 3.71 H new ATOM 0 HD2 PHE A 87 -3.476 15.709 4.313 1.00 3.62 H new ATOM 0 HE1 PHE A 87 -6.146 16.372 8.445 1.00 4.51 H new ATOM 0 HE2 PHE A 87 -2.876 14.485 6.383 1.00 4.30 H new ATOM 0 HZ PHE A 87 -4.217 14.806 8.451 1.00 4.65 H new ATOM 1417 N LEU A 88 -7.266 19.460 1.704 1.00 3.07 N ATOM 1418 CA LEU A 88 -7.306 20.423 0.599 1.00 3.27 C ATOM 1419 C LEU A 88 -7.969 21.747 1.026 1.00 3.54 C ATOM 1420 O LEU A 88 -8.493 21.883 2.131 1.00 3.60 O ATOM 1421 CB LEU A 88 -8.035 19.770 -0.607 1.00 2.88 C ATOM 1422 CG LEU A 88 -7.180 18.945 -1.588 1.00 3.62 C ATOM 1423 CD1 LEU A 88 -6.057 19.791 -2.213 1.00 4.02 C ATOM 1424 CD2 LEU A 88 -6.605 17.668 -0.965 1.00 4.14 C ATOM 0 H LEU A 88 -7.948 18.708 1.606 1.00 3.07 H new ATOM 0 HA LEU A 88 -6.288 20.677 0.302 1.00 3.27 H new ATOM 0 HB2 LEU A 88 -8.819 19.122 -0.216 1.00 2.88 H new ATOM 0 HB3 LEU A 88 -8.527 20.561 -1.172 1.00 2.88 H new ATOM 0 HG LEU A 88 -7.862 18.632 -2.378 1.00 3.62 H new ATOM 0 HD11 LEU A 88 -5.476 19.175 -2.899 1.00 4.02 H new ATOM 0 HD12 LEU A 88 -6.493 20.628 -2.758 1.00 4.02 H new ATOM 0 HD13 LEU A 88 -5.406 20.170 -1.425 1.00 4.02 H new ATOM 0 HD21 LEU A 88 -6.014 17.134 -1.709 1.00 4.14 H new ATOM 0 HD22 LEU A 88 -5.971 17.930 -0.118 1.00 4.14 H new ATOM 0 HD23 LEU A 88 -7.421 17.030 -0.624 1.00 4.14 H new ATOM 1436 N GLU A 89 -7.933 22.741 0.141 1.00 4.00 N ATOM 1437 CA GLU A 89 -8.577 24.061 0.285 1.00 4.39 C ATOM 1438 C GLU A 89 -9.969 24.127 -0.368 1.00 3.92 C ATOM 1439 O GLU A 89 -10.472 25.190 -0.729 1.00 4.75 O ATOM 1440 CB GLU A 89 -7.639 25.128 -0.286 1.00 5.20 C ATOM 1441 CG GLU A 89 -6.571 25.531 0.733 1.00 5.82 C ATOM 1442 CD GLU A 89 -5.599 24.397 1.063 1.00 5.85 C ATOM 1443 OE1 GLU A 89 -5.228 23.639 0.143 1.00 6.64 O ATOM 1444 OE2 GLU A 89 -5.298 24.251 2.267 1.00 5.70 O ATOM 0 H GLU A 89 -7.431 22.651 -0.742 1.00 4.00 H new ATOM 0 HA GLU A 89 -8.748 24.244 1.346 1.00 4.39 H new ATOM 0 HB2 GLU A 89 -7.159 24.749 -1.188 1.00 5.20 H new ATOM 0 HB3 GLU A 89 -8.217 26.005 -0.577 1.00 5.20 H new ATOM 0 HG2 GLU A 89 -6.010 26.381 0.345 1.00 5.82 H new ATOM 0 HG3 GLU A 89 -7.059 25.862 1.650 1.00 5.82 H new ATOM 1451 N ASP A 90 -10.534 22.943 -0.559 1.00 2.95 N ATOM 1452 CA ASP A 90 -11.949 22.616 -0.848 1.00 2.88 C ATOM 1453 C ASP A 90 -12.413 22.982 -2.281 1.00 3.52 C ATOM 1454 O ASP A 90 -13.449 22.537 -2.766 1.00 4.48 O ATOM 1455 CB ASP A 90 -12.823 23.261 0.246 1.00 3.50 C ATOM 1456 CG ASP A 90 -14.129 22.521 0.552 1.00 4.97 C ATOM 1457 OD1 ASP A 90 -14.170 21.280 0.415 1.00 5.89 O ATOM 1458 OD2 ASP A 90 -15.058 23.210 1.021 1.00 5.96 O ATOM 0 H ASP A 90 -9.969 22.095 -0.514 1.00 2.95 H new ATOM 0 HA ASP A 90 -12.060 21.532 -0.824 1.00 2.88 H new ATOM 0 HB2 ASP A 90 -12.238 23.329 1.163 1.00 3.50 H new ATOM 0 HB3 ASP A 90 -13.063 24.280 -0.056 1.00 3.50 H new ATOM 1463 N ASN A 91 -11.612 23.776 -2.994 1.00 3.90 N ATOM 1464 CA ASN A 91 -11.885 24.309 -4.338 1.00 4.98 C ATOM 1465 C ASN A 91 -11.335 23.467 -5.502 1.00 5.28 C ATOM 1466 O ASN A 91 -11.330 23.948 -6.637 1.00 6.08 O ATOM 1467 CB ASN A 91 -11.280 25.725 -4.411 1.00 5.81 C ATOM 1468 CG ASN A 91 -9.752 25.740 -4.309 1.00 6.50 C ATOM 1469 OD1 ASN A 91 -9.003 25.478 -5.249 1.00 7.38 O ATOM 1470 ND2 ASN A 91 -9.230 26.038 -3.138 1.00 6.83 N ATOM 0 H ASN A 91 -10.708 24.083 -2.635 1.00 3.90 H new ATOM 0 HA ASN A 91 -12.968 24.299 -4.465 1.00 4.98 H new ATOM 0 HB2 ASN A 91 -11.579 26.192 -5.350 1.00 5.81 H new ATOM 0 HB3 ASN A 91 -11.696 26.332 -3.607 1.00 5.81 H new ATOM 0 HD21 ASN A 91 -8.217 26.050 -3.019 1.00 6.83 H new ATOM 0 HD22 ASN A 91 -9.838 26.257 -2.349 1.00 6.83 H new ATOM 1477 N LYS A 92 -10.709 22.314 -5.221 1.00 5.09 N ATOM 1478 CA LYS A 92 -9.559 21.859 -5.983 1.00 5.75 C ATOM 1479 C LYS A 92 -9.836 21.325 -7.387 1.00 7.34 C ATOM 1480 O LYS A 92 -10.673 20.420 -7.524 1.00 8.37 O ATOM 1481 CB LYS A 92 -8.794 20.855 -5.121 1.00 5.83 C ATOM 1482 CG LYS A 92 -7.359 20.715 -5.612 1.00 6.43 C ATOM 1483 CD LYS A 92 -6.516 21.998 -5.443 1.00 6.53 C ATOM 1484 CE LYS A 92 -6.019 22.629 -6.759 1.00 7.69 C ATOM 1485 NZ LYS A 92 -7.074 23.369 -7.501 1.00 8.23 N ATOM 1486 OXT LYS A 92 -9.080 21.786 -8.275 1.00 7.96 O ATOM 0 H LYS A 92 -10.988 21.685 -4.468 1.00 5.09 H new ATOM 0 HA LYS A 92 -8.957 22.742 -6.199 1.00 5.75 H new ATOM 0 HB2 LYS A 92 -8.799 21.182 -4.081 1.00 5.83 H new ATOM 0 HB3 LYS A 92 -9.292 19.886 -5.153 1.00 5.83 H new ATOM 0 HG2 LYS A 92 -6.877 19.901 -5.071 1.00 6.43 H new ATOM 0 HG3 LYS A 92 -7.371 20.435 -6.665 1.00 6.43 H new ATOM 0 HD2 LYS A 92 -7.110 22.737 -4.905 1.00 6.53 H new ATOM 0 HD3 LYS A 92 -5.652 21.768 -4.819 1.00 6.53 H new ATOM 0 HE2 LYS A 92 -5.197 23.310 -6.538 1.00 7.69 H new ATOM 0 HE3 LYS A 92 -5.619 21.844 -7.400 1.00 7.69 H new ATOM 0 HZ1 LYS A 92 -6.630 24.009 -8.190 1.00 8.23 H new ATOM 0 HZ2 LYS A 92 -7.686 22.693 -8.001 1.00 8.23 H new ATOM 0 HZ3 LYS A 92 -7.645 23.924 -6.832 1.00 8.23 H new TER 1500 LYS A 92 ATOM 1501 N MET B 1 -12.366 3.001 10.496 1.00 4.15 N ATOM 1502 CA MET B 1 -11.036 2.869 9.869 1.00 3.57 C ATOM 1503 C MET B 1 -10.501 1.441 10.011 1.00 2.57 C ATOM 1504 O MET B 1 -9.451 1.213 10.606 1.00 3.40 O ATOM 1505 CB MET B 1 -10.069 3.976 10.336 1.00 4.81 C ATOM 1506 CG MET B 1 -9.709 4.023 11.832 1.00 6.14 C ATOM 1507 SD MET B 1 -11.068 4.364 12.993 1.00 7.01 S ATOM 1508 CE MET B 1 -11.326 2.713 13.708 1.00 7.64 C ATOM 0 H1 MET B 1 -12.973 3.600 9.900 1.00 4.15 H new ATOM 0 H2 MET B 1 -12.798 2.060 10.595 1.00 4.15 H new ATOM 0 H3 MET B 1 -12.265 3.436 11.435 1.00 4.15 H new ATOM 0 HA MET B 1 -11.135 3.033 8.796 1.00 3.57 H new ATOM 0 HB2 MET B 1 -9.143 3.874 9.771 1.00 4.81 H new ATOM 0 HB3 MET B 1 -10.503 4.938 10.065 1.00 4.81 H new ATOM 0 HG2 MET B 1 -9.262 3.067 12.104 1.00 6.14 H new ATOM 0 HG3 MET B 1 -8.942 4.785 11.973 1.00 6.14 H new ATOM 0 HE1 MET B 1 -12.384 2.573 13.928 1.00 7.64 H new ATOM 0 HE2 MET B 1 -11.000 1.954 12.997 1.00 7.64 H new ATOM 0 HE3 MET B 1 -10.749 2.621 14.628 1.00 7.64 H new ATOM 1517 N GLU B 2 -11.228 0.455 9.481 1.00 1.82 N ATOM 1518 CA GLU B 2 -11.144 -0.934 9.962 1.00 1.84 C ATOM 1519 C GLU B 2 -10.145 -1.833 9.213 1.00 2.07 C ATOM 1520 O GLU B 2 -10.487 -2.872 8.649 1.00 3.37 O ATOM 1521 CB GLU B 2 -12.565 -1.517 10.093 1.00 2.79 C ATOM 1522 CG GLU B 2 -12.977 -1.561 11.572 1.00 3.35 C ATOM 1523 CD GLU B 2 -12.988 -0.190 12.250 1.00 3.68 C ATOM 1524 OE1 GLU B 2 -13.329 0.806 11.575 1.00 3.97 O ATOM 1525 OE2 GLU B 2 -12.576 -0.120 13.425 1.00 4.56 O ATOM 0 H GLU B 2 -11.887 0.590 8.714 1.00 1.82 H new ATOM 0 HA GLU B 2 -10.695 -0.908 10.955 1.00 1.84 H new ATOM 0 HB2 GLU B 2 -13.271 -0.908 9.528 1.00 2.79 H new ATOM 0 HB3 GLU B 2 -12.597 -2.520 9.668 1.00 2.79 H new ATOM 0 HG2 GLU B 2 -13.970 -2.003 11.650 1.00 3.35 H new ATOM 0 HG3 GLU B 2 -12.293 -2.217 12.111 1.00 3.35 H new ATOM 1532 N THR B 3 -8.875 -1.427 9.253 1.00 1.15 N ATOM 1533 CA THR B 3 -7.695 -2.228 8.850 1.00 1.19 C ATOM 1534 C THR B 3 -6.450 -1.767 9.623 1.00 0.99 C ATOM 1535 O THR B 3 -6.391 -0.605 10.027 1.00 0.95 O ATOM 1536 CB THR B 3 -7.446 -2.284 7.322 1.00 1.38 C ATOM 1537 OG1 THR B 3 -6.200 -1.728 6.966 1.00 1.68 O ATOM 1538 CG2 THR B 3 -8.493 -1.577 6.467 1.00 2.13 C ATOM 0 H THR B 3 -8.619 -0.495 9.579 1.00 1.15 H new ATOM 0 HA THR B 3 -7.919 -3.260 9.121 1.00 1.19 H new ATOM 0 HB THR B 3 -7.490 -3.353 7.115 1.00 1.38 H new ATOM 0 HG1 THR B 3 -5.654 -2.408 6.519 1.00 1.68 H new ATOM 0 HG21 THR B 3 -8.228 -1.673 5.414 1.00 2.13 H new ATOM 0 HG22 THR B 3 -9.469 -2.030 6.639 1.00 2.13 H new ATOM 0 HG23 THR B 3 -8.530 -0.521 6.736 1.00 2.13 H new ATOM 1546 N PRO B 4 -5.443 -2.638 9.851 1.00 1.04 N ATOM 1547 CA PRO B 4 -4.230 -2.242 10.548 1.00 1.08 C ATOM 1548 C PRO B 4 -3.298 -1.419 9.648 1.00 1.03 C ATOM 1549 O PRO B 4 -2.769 -0.419 10.137 1.00 1.14 O ATOM 1550 CB PRO B 4 -3.603 -3.536 11.066 1.00 1.23 C ATOM 1551 CG PRO B 4 -4.101 -4.610 10.103 1.00 1.25 C ATOM 1552 CD PRO B 4 -5.422 -4.061 9.546 1.00 1.23 C ATOM 0 HA PRO B 4 -4.440 -1.573 11.382 1.00 1.08 H new ATOM 0 HB2 PRO B 4 -2.515 -3.477 11.068 1.00 1.23 H new ATOM 0 HB3 PRO B 4 -3.913 -3.746 12.090 1.00 1.23 H new ATOM 0 HG2 PRO B 4 -3.380 -4.790 9.305 1.00 1.25 H new ATOM 0 HG3 PRO B 4 -4.253 -5.560 10.615 1.00 1.25 H new ATOM 0 HD2 PRO B 4 -5.488 -4.228 8.471 1.00 1.23 H new ATOM 0 HD3 PRO B 4 -6.274 -4.567 10.000 1.00 1.23 H new ATOM 1560 N LEU B 5 -3.131 -1.741 8.354 1.00 0.97 N ATOM 1561 CA LEU B 5 -2.351 -0.877 7.456 1.00 0.95 C ATOM 1562 C LEU B 5 -2.991 0.505 7.281 1.00 0.89 C ATOM 1563 O LEU B 5 -2.268 1.498 7.328 1.00 0.94 O ATOM 1564 CB LEU B 5 -2.131 -1.580 6.111 1.00 1.02 C ATOM 1565 CG LEU B 5 -1.188 -0.872 5.123 1.00 1.12 C ATOM 1566 CD1 LEU B 5 0.158 -0.498 5.757 1.00 1.52 C ATOM 1567 CD2 LEU B 5 -0.983 -1.815 3.927 1.00 1.77 C ATOM 0 H LEU B 5 -3.518 -2.576 7.914 1.00 0.97 H new ATOM 0 HA LEU B 5 -1.378 -0.702 7.916 1.00 0.95 H new ATOM 0 HB2 LEU B 5 -1.737 -2.578 6.306 1.00 1.02 H new ATOM 0 HB3 LEU B 5 -3.100 -1.708 5.628 1.00 1.02 H new ATOM 0 HG LEU B 5 -1.639 0.069 4.809 1.00 1.12 H new ATOM 0 HD11 LEU B 5 0.784 -0.001 5.016 1.00 1.52 H new ATOM 0 HD12 LEU B 5 -0.010 0.174 6.598 1.00 1.52 H new ATOM 0 HD13 LEU B 5 0.658 -1.401 6.108 1.00 1.52 H new ATOM 0 HD21 LEU B 5 -0.317 -1.345 3.203 1.00 1.77 H new ATOM 0 HD22 LEU B 5 -0.542 -2.750 4.272 1.00 1.77 H new ATOM 0 HD23 LEU B 5 -1.945 -2.020 3.456 1.00 1.77 H new ATOM 1579 N GLU B 6 -4.327 0.586 7.203 1.00 0.91 N ATOM 1580 CA GLU B 6 -5.044 1.859 7.359 1.00 0.90 C ATOM 1581 C GLU B 6 -4.632 2.546 8.666 1.00 0.90 C ATOM 1582 O GLU B 6 -4.195 3.695 8.641 1.00 0.94 O ATOM 1583 CB GLU B 6 -6.567 1.638 7.296 1.00 1.01 C ATOM 1584 CG GLU B 6 -7.419 2.704 8.000 1.00 1.18 C ATOM 1585 CD GLU B 6 -7.139 4.145 7.569 1.00 2.03 C ATOM 1586 OE1 GLU B 6 -7.139 4.424 6.349 1.00 2.95 O ATOM 1587 OE2 GLU B 6 -6.951 4.963 8.497 1.00 2.87 O ATOM 0 H GLU B 6 -4.933 -0.216 7.033 1.00 0.91 H new ATOM 0 HA GLU B 6 -4.772 2.516 6.533 1.00 0.90 H new ATOM 0 HB2 GLU B 6 -6.867 1.591 6.249 1.00 1.01 H new ATOM 0 HB3 GLU B 6 -6.794 0.667 7.736 1.00 1.01 H new ATOM 0 HG2 GLU B 6 -8.471 2.484 7.818 1.00 1.18 H new ATOM 0 HG3 GLU B 6 -7.258 2.625 9.075 1.00 1.18 H new ATOM 1594 N LYS B 7 -4.680 1.870 9.825 1.00 0.98 N ATOM 1595 CA LYS B 7 -4.476 2.588 11.079 1.00 1.18 C ATOM 1596 C LYS B 7 -3.045 3.134 11.172 1.00 1.11 C ATOM 1597 O LYS B 7 -2.782 4.134 11.850 1.00 1.28 O ATOM 1598 CB LYS B 7 -4.984 1.749 12.267 1.00 1.51 C ATOM 1599 CG LYS B 7 -3.972 0.977 13.133 1.00 1.58 C ATOM 1600 CD LYS B 7 -3.028 1.837 13.990 1.00 3.40 C ATOM 1601 CE LYS B 7 -3.773 2.936 14.769 1.00 3.79 C ATOM 1602 NZ LYS B 7 -2.867 3.765 15.599 1.00 5.96 N ATOM 0 H LYS B 7 -4.851 0.868 9.914 1.00 0.98 H new ATOM 0 HA LYS B 7 -5.089 3.489 11.115 1.00 1.18 H new ATOM 0 HB2 LYS B 7 -5.537 2.417 12.927 1.00 1.51 H new ATOM 0 HB3 LYS B 7 -5.699 1.025 11.875 1.00 1.51 H new ATOM 0 HG2 LYS B 7 -4.524 0.309 13.794 1.00 1.58 H new ATOM 0 HG3 LYS B 7 -3.367 0.350 12.478 1.00 1.58 H new ATOM 0 HD2 LYS B 7 -2.496 1.196 14.693 1.00 3.40 H new ATOM 0 HD3 LYS B 7 -2.278 2.297 13.347 1.00 3.40 H new ATOM 0 HE2 LYS B 7 -4.303 3.578 14.066 1.00 3.79 H new ATOM 0 HE3 LYS B 7 -4.525 2.475 15.409 1.00 3.79 H new ATOM 0 HZ1 LYS B 7 -3.431 4.385 16.215 1.00 5.96 H new ATOM 0 HZ2 LYS B 7 -2.269 3.147 16.184 1.00 5.96 H new ATOM 0 HZ3 LYS B 7 -2.265 4.346 14.981 1.00 5.96 H new ATOM 1616 N ALA B 8 -2.099 2.463 10.513 1.00 0.98 N ATOM 1617 CA ALA B 8 -0.733 2.939 10.312 1.00 0.99 C ATOM 1618 C ALA B 8 -0.733 4.276 9.561 1.00 0.80 C ATOM 1619 O ALA B 8 -0.247 5.264 10.111 1.00 0.90 O ATOM 1620 CB ALA B 8 0.095 1.870 9.591 1.00 1.09 C ATOM 0 H ALA B 8 -2.268 1.549 10.094 1.00 0.98 H new ATOM 0 HA ALA B 8 -0.268 3.118 11.281 1.00 0.99 H new ATOM 0 HB1 ALA B 8 1.112 2.234 9.446 1.00 1.09 H new ATOM 0 HB2 ALA B 8 0.118 0.961 10.192 1.00 1.09 H new ATOM 0 HB3 ALA B 8 -0.355 1.654 8.622 1.00 1.09 H new ATOM 1626 N LEU B 9 -1.341 4.349 8.370 1.00 0.64 N ATOM 1627 CA LEU B 9 -1.499 5.594 7.609 1.00 0.58 C ATOM 1628 C LEU B 9 -2.185 6.693 8.434 1.00 0.53 C ATOM 1629 O LEU B 9 -1.698 7.828 8.428 1.00 0.53 O ATOM 1630 CB LEU B 9 -2.274 5.311 6.300 1.00 0.58 C ATOM 1631 CG LEU B 9 -1.423 4.942 5.065 1.00 0.59 C ATOM 1632 CD1 LEU B 9 -0.636 6.152 4.530 1.00 0.70 C ATOM 1633 CD2 LEU B 9 -0.460 3.773 5.319 1.00 0.87 C ATOM 0 H LEU B 9 -1.741 3.536 7.903 1.00 0.64 H new ATOM 0 HA LEU B 9 -0.505 5.967 7.361 1.00 0.58 H new ATOM 0 HB2 LEU B 9 -2.975 4.498 6.487 1.00 0.58 H new ATOM 0 HB3 LEU B 9 -2.866 6.193 6.056 1.00 0.58 H new ATOM 0 HG LEU B 9 -2.141 4.620 4.311 1.00 0.59 H new ATOM 0 HD11 LEU B 9 -0.051 5.850 3.662 1.00 0.70 H new ATOM 0 HD12 LEU B 9 -1.332 6.940 4.242 1.00 0.70 H new ATOM 0 HD13 LEU B 9 0.032 6.524 5.307 1.00 0.70 H new ATOM 0 HD21 LEU B 9 0.107 3.565 4.412 1.00 0.87 H new ATOM 0 HD22 LEU B 9 0.226 4.035 6.124 1.00 0.87 H new ATOM 0 HD23 LEU B 9 -1.029 2.888 5.602 1.00 0.87 H new ATOM 1645 N THR B 10 -3.226 6.387 9.223 1.00 0.53 N ATOM 1646 CA THR B 10 -3.870 7.441 10.031 1.00 0.53 C ATOM 1647 C THR B 10 -2.992 7.920 11.178 1.00 0.59 C ATOM 1648 O THR B 10 -2.957 9.119 11.452 1.00 0.61 O ATOM 1649 CB THR B 10 -5.294 7.104 10.481 1.00 0.99 C ATOM 1650 OG1 THR B 10 -5.510 5.721 10.536 1.00 1.11 O ATOM 1651 CG2 THR B 10 -6.280 7.726 9.500 1.00 2.68 C ATOM 0 H THR B 10 -3.630 5.456 9.320 1.00 0.53 H new ATOM 0 HA THR B 10 -3.983 8.284 9.350 1.00 0.53 H new ATOM 0 HB THR B 10 -5.438 7.505 11.484 1.00 0.99 H new ATOM 0 HG1 THR B 10 -6.295 5.491 9.997 1.00 1.11 H new ATOM 0 HG21 THR B 10 -7.298 7.492 9.810 1.00 2.68 H new ATOM 0 HG22 THR B 10 -6.144 8.807 9.484 1.00 2.68 H new ATOM 0 HG23 THR B 10 -6.104 7.324 8.502 1.00 2.68 H new ATOM 1659 N THR B 11 -2.166 7.040 11.752 1.00 0.71 N ATOM 1660 CA THR B 11 -1.088 7.438 12.676 1.00 0.80 C ATOM 1661 C THR B 11 -0.108 8.392 11.977 1.00 0.78 C ATOM 1662 O THR B 11 0.304 9.384 12.581 1.00 0.86 O ATOM 1663 CB THR B 11 -0.364 6.214 13.252 1.00 0.95 C ATOM 1664 OG1 THR B 11 -1.298 5.285 13.759 1.00 1.10 O ATOM 1665 CG2 THR B 11 0.580 6.588 14.393 1.00 1.17 C ATOM 0 H THR B 11 -2.221 6.034 11.593 1.00 0.71 H new ATOM 0 HA THR B 11 -1.538 7.969 13.515 1.00 0.80 H new ATOM 0 HB THR B 11 0.213 5.784 12.434 1.00 0.95 H new ATOM 0 HG1 THR B 11 -1.674 4.763 13.020 1.00 1.10 H new ATOM 0 HG21 THR B 11 1.070 5.690 14.769 1.00 1.17 H new ATOM 0 HG22 THR B 11 1.333 7.286 14.028 1.00 1.17 H new ATOM 0 HG23 THR B 11 0.012 7.055 15.197 1.00 1.17 H new ATOM 1673 N MET B 12 0.205 8.158 10.696 1.00 0.74 N ATOM 1674 CA MET B 12 1.060 9.073 9.920 1.00 0.75 C ATOM 1675 C MET B 12 0.388 10.438 9.734 1.00 0.81 C ATOM 1676 O MET B 12 1.048 11.457 9.959 1.00 0.91 O ATOM 1677 CB MET B 12 1.473 8.510 8.545 1.00 0.68 C ATOM 1678 CG MET B 12 2.179 7.154 8.566 1.00 1.03 C ATOM 1679 SD MET B 12 2.681 6.611 6.910 1.00 0.94 S ATOM 1680 CE MET B 12 4.472 6.507 7.137 1.00 0.67 C ATOM 0 H MET B 12 -0.119 7.344 10.173 1.00 0.74 H new ATOM 0 HA MET B 12 1.970 9.189 10.509 1.00 0.75 H new ATOM 0 HB2 MET B 12 0.580 8.424 7.926 1.00 0.68 H new ATOM 0 HB3 MET B 12 2.129 9.233 8.060 1.00 0.68 H new ATOM 0 HG2 MET B 12 3.058 7.215 9.208 1.00 1.03 H new ATOM 0 HG3 MET B 12 1.515 6.409 9.004 1.00 1.03 H new ATOM 0 HE1 MET B 12 4.939 6.184 6.206 1.00 0.67 H new ATOM 0 HE2 MET B 12 4.861 7.486 7.417 1.00 0.67 H new ATOM 0 HE3 MET B 12 4.698 5.788 7.925 1.00 0.67 H new ATOM 1690 N VAL B 13 -0.898 10.478 9.352 1.00 0.78 N ATOM 1691 CA VAL B 13 -1.580 11.762 9.099 1.00 0.81 C ATOM 1692 C VAL B 13 -1.705 12.619 10.366 1.00 0.79 C ATOM 1693 O VAL B 13 -1.584 13.838 10.242 1.00 0.80 O ATOM 1694 CB VAL B 13 -2.931 11.702 8.342 1.00 0.85 C ATOM 1695 CG1 VAL B 13 -2.887 10.818 7.089 1.00 1.05 C ATOM 1696 CG2 VAL B 13 -4.164 11.357 9.189 1.00 1.08 C ATOM 0 H VAL B 13 -1.481 9.652 9.213 1.00 0.78 H new ATOM 0 HA VAL B 13 -0.902 12.246 8.396 1.00 0.81 H new ATOM 0 HB VAL B 13 -3.063 12.740 8.038 1.00 0.85 H new ATOM 0 HG11 VAL B 13 -3.865 10.821 6.607 1.00 1.05 H new ATOM 0 HG12 VAL B 13 -2.140 11.206 6.396 1.00 1.05 H new ATOM 0 HG13 VAL B 13 -2.625 9.799 7.372 1.00 1.05 H new ATOM 0 HG21 VAL B 13 -5.050 11.344 8.554 1.00 1.08 H new ATOM 0 HG22 VAL B 13 -4.030 10.376 9.645 1.00 1.08 H new ATOM 0 HG23 VAL B 13 -4.289 12.106 9.971 1.00 1.08 H new ATOM 1706 N THR B 14 -1.865 12.027 11.565 1.00 0.79 N ATOM 1707 CA THR B 14 -1.833 12.796 12.827 1.00 0.80 C ATOM 1708 C THR B 14 -0.542 13.583 12.977 1.00 0.66 C ATOM 1709 O THR B 14 -0.603 14.798 13.156 1.00 0.77 O ATOM 1710 CB THR B 14 -2.070 11.949 14.089 1.00 1.02 C ATOM 1711 OG1 THR B 14 -1.708 10.595 13.953 1.00 2.27 O ATOM 1712 CG2 THR B 14 -3.553 11.970 14.438 1.00 1.24 C ATOM 0 H THR B 14 -2.017 11.026 11.688 1.00 0.79 H new ATOM 0 HA THR B 14 -2.673 13.485 12.745 1.00 0.80 H new ATOM 0 HB THR B 14 -1.440 12.394 14.860 1.00 1.02 H new ATOM 0 HG1 THR B 14 -0.911 10.525 13.388 1.00 2.27 H new ATOM 0 HG21 THR B 14 -3.725 11.371 15.332 1.00 1.24 H new ATOM 0 HG22 THR B 14 -3.869 12.997 14.623 1.00 1.24 H new ATOM 0 HG23 THR B 14 -4.128 11.558 13.609 1.00 1.24 H new ATOM 1720 N THR B 15 0.604 12.907 12.847 1.00 0.62 N ATOM 1721 CA THR B 15 1.941 13.500 12.978 1.00 0.59 C ATOM 1722 C THR B 15 2.265 14.504 11.881 1.00 0.57 C ATOM 1723 O THR B 15 2.843 15.539 12.180 1.00 0.79 O ATOM 1724 CB THR B 15 3.023 12.413 13.030 1.00 0.62 C ATOM 1725 OG1 THR B 15 2.705 11.352 12.159 1.00 1.34 O ATOM 1726 CG2 THR B 15 3.143 11.839 14.438 1.00 1.01 C ATOM 0 H THR B 15 0.629 11.908 12.643 1.00 0.62 H new ATOM 0 HA THR B 15 1.932 14.049 13.920 1.00 0.59 H new ATOM 0 HB THR B 15 3.963 12.877 12.731 1.00 0.62 H new ATOM 0 HG1 THR B 15 2.170 11.692 11.411 1.00 1.34 H new ATOM 0 HG21 THR B 15 3.915 11.070 14.453 1.00 1.01 H new ATOM 0 HG22 THR B 15 3.409 12.635 15.134 1.00 1.01 H new ATOM 0 HG23 THR B 15 2.190 11.401 14.735 1.00 1.01 H new ATOM 1734 N PHE B 16 1.876 14.250 10.631 1.00 0.54 N ATOM 1735 CA PHE B 16 2.100 15.192 9.530 1.00 0.57 C ATOM 1736 C PHE B 16 1.249 16.462 9.698 1.00 0.58 C ATOM 1737 O PHE B 16 1.734 17.586 9.557 1.00 0.64 O ATOM 1738 CB PHE B 16 1.789 14.465 8.219 1.00 0.65 C ATOM 1739 CG PHE B 16 2.156 15.262 6.985 1.00 0.64 C ATOM 1740 CD1 PHE B 16 1.329 16.311 6.550 1.00 2.18 C ATOM 1741 CD2 PHE B 16 3.351 14.979 6.299 1.00 1.87 C ATOM 1742 CE1 PHE B 16 1.711 17.090 5.448 1.00 2.16 C ATOM 1743 CE2 PHE B 16 3.701 15.719 5.157 1.00 1.90 C ATOM 1744 CZ PHE B 16 2.876 16.771 4.730 1.00 0.66 C ATOM 0 H PHE B 16 1.400 13.392 10.353 1.00 0.54 H new ATOM 0 HA PHE B 16 3.138 15.525 9.526 1.00 0.57 H new ATOM 0 HB2 PHE B 16 2.326 13.517 8.202 1.00 0.65 H new ATOM 0 HB3 PHE B 16 0.725 14.230 8.187 1.00 0.65 H new ATOM 0 HD1 PHE B 16 0.401 16.517 7.063 1.00 2.18 H new ATOM 0 HD2 PHE B 16 4.001 14.191 6.651 1.00 1.87 H new ATOM 0 HE1 PHE B 16 1.109 17.936 5.151 1.00 2.16 H new ATOM 0 HE2 PHE B 16 4.601 15.479 4.610 1.00 1.90 H new ATOM 0 HZ PHE B 16 3.137 17.337 3.848 1.00 0.66 H new ATOM 1754 N HIS B 17 -0.033 16.288 10.032 1.00 0.58 N ATOM 1755 CA HIS B 17 -0.969 17.388 10.257 1.00 0.63 C ATOM 1756 C HIS B 17 -0.468 18.351 11.352 1.00 0.61 C ATOM 1757 O HIS B 17 -0.559 19.568 11.182 1.00 0.75 O ATOM 1758 CB HIS B 17 -2.347 16.813 10.614 1.00 0.76 C ATOM 1759 CG HIS B 17 -3.368 17.873 10.940 1.00 1.33 C ATOM 1760 ND1 HIS B 17 -3.733 18.281 12.201 1.00 2.32 N ATOM 1761 CD2 HIS B 17 -4.070 18.637 10.052 1.00 1.48 C ATOM 1762 CE1 HIS B 17 -4.623 19.277 12.074 1.00 2.79 C ATOM 1763 NE2 HIS B 17 -4.866 19.529 10.779 1.00 2.26 N ATOM 0 H HIS B 17 -0.453 15.367 10.155 1.00 0.58 H new ATOM 0 HA HIS B 17 -1.048 17.972 9.340 1.00 0.63 H new ATOM 0 HB2 HIS B 17 -2.710 16.213 9.780 1.00 0.76 H new ATOM 0 HB3 HIS B 17 -2.244 16.143 11.467 1.00 0.76 H new ATOM 0 HD2 HIS B 17 -4.020 18.565 8.976 1.00 1.48 H new ATOM 0 HE1 HIS B 17 -5.080 19.803 12.899 1.00 2.79 H new ATOM 0 HE2 HIS B 17 -5.503 20.230 10.400 1.00 2.26 H new ATOM 1772 N LYS B 18 0.113 17.813 12.435 1.00 0.65 N ATOM 1773 CA LYS B 18 0.679 18.552 13.575 1.00 0.72 C ATOM 1774 C LYS B 18 1.565 19.748 13.173 1.00 0.77 C ATOM 1775 O LYS B 18 1.531 20.773 13.848 1.00 1.06 O ATOM 1776 CB LYS B 18 1.482 17.536 14.413 1.00 0.77 C ATOM 1777 CG LYS B 18 1.938 18.043 15.790 1.00 1.36 C ATOM 1778 CD LYS B 18 2.845 16.997 16.456 1.00 2.20 C ATOM 1779 CE LYS B 18 3.184 17.387 17.900 1.00 3.26 C ATOM 1780 NZ LYS B 18 4.044 16.364 18.542 1.00 4.39 N ATOM 0 H LYS B 18 0.206 16.803 12.545 1.00 0.65 H new ATOM 0 HA LYS B 18 -0.140 18.996 14.142 1.00 0.72 H new ATOM 0 HB2 LYS B 18 0.873 16.643 14.555 1.00 0.77 H new ATOM 0 HB3 LYS B 18 2.362 17.234 13.845 1.00 0.77 H new ATOM 0 HG2 LYS B 18 2.474 18.986 15.681 1.00 1.36 H new ATOM 0 HG3 LYS B 18 1.071 18.240 16.420 1.00 1.36 H new ATOM 0 HD2 LYS B 18 2.350 16.026 16.447 1.00 2.20 H new ATOM 0 HD3 LYS B 18 3.765 16.892 15.881 1.00 2.20 H new ATOM 0 HE2 LYS B 18 3.692 18.351 17.910 1.00 3.26 H new ATOM 0 HE3 LYS B 18 2.265 17.505 18.473 1.00 3.26 H new ATOM 0 HZ1 LYS B 18 3.958 16.437 19.576 1.00 4.39 H new ATOM 0 HZ2 LYS B 18 3.744 15.416 18.236 1.00 4.39 H new ATOM 0 HZ3 LYS B 18 5.034 16.520 18.265 1.00 4.39 H new ATOM 1794 N TYR B 19 2.343 19.623 12.095 1.00 0.67 N ATOM 1795 CA TYR B 19 3.233 20.683 11.585 1.00 0.80 C ATOM 1796 C TYR B 19 2.579 21.568 10.512 1.00 1.14 C ATOM 1797 O TYR B 19 2.907 22.742 10.398 1.00 1.72 O ATOM 1798 CB TYR B 19 4.512 20.022 11.056 1.00 0.77 C ATOM 1799 CG TYR B 19 5.381 19.444 12.158 1.00 0.71 C ATOM 1800 CD1 TYR B 19 5.068 18.196 12.736 1.00 1.56 C ATOM 1801 CD2 TYR B 19 6.480 20.181 12.644 1.00 2.14 C ATOM 1802 CE1 TYR B 19 5.837 17.692 13.799 1.00 1.48 C ATOM 1803 CE2 TYR B 19 7.263 19.671 13.694 1.00 2.37 C ATOM 1804 CZ TYR B 19 6.945 18.424 14.272 1.00 1.12 C ATOM 1805 OH TYR B 19 7.724 17.893 15.251 1.00 1.46 O ATOM 0 H TYR B 19 2.377 18.769 11.538 1.00 0.67 H new ATOM 0 HA TYR B 19 3.463 21.360 12.408 1.00 0.80 H new ATOM 0 HB2 TYR B 19 4.243 19.228 10.359 1.00 0.77 H new ATOM 0 HB3 TYR B 19 5.088 20.757 10.494 1.00 0.77 H new ATOM 0 HD1 TYR B 19 4.233 17.624 12.360 1.00 1.56 H new ATOM 0 HD2 TYR B 19 6.721 21.140 12.209 1.00 2.14 H new ATOM 0 HE1 TYR B 19 5.580 16.746 14.252 1.00 1.48 H new ATOM 0 HE2 TYR B 19 8.109 20.234 14.059 1.00 2.37 H new ATOM 0 HH TYR B 19 8.643 18.218 15.150 1.00 1.46 H new ATOM 1815 N SER B 20 1.620 21.035 9.758 1.00 1.12 N ATOM 1816 CA SER B 20 0.871 21.789 8.748 1.00 1.31 C ATOM 1817 C SER B 20 -0.141 22.790 9.344 1.00 1.51 C ATOM 1818 O SER B 20 -0.541 23.730 8.661 1.00 1.84 O ATOM 1819 CB SER B 20 0.137 20.797 7.845 1.00 1.54 C ATOM 1820 OG SER B 20 -0.970 20.217 8.518 1.00 2.62 O ATOM 0 H SER B 20 1.336 20.058 9.830 1.00 1.12 H new ATOM 0 HA SER B 20 1.593 22.383 8.188 1.00 1.31 H new ATOM 0 HB2 SER B 20 -0.207 21.306 6.944 1.00 1.54 H new ATOM 0 HB3 SER B 20 0.824 20.013 7.526 1.00 1.54 H new ATOM 0 HG SER B 20 -0.740 20.069 9.459 1.00 2.62 H new ATOM 1826 N GLY B 21 -0.566 22.621 10.608 1.00 1.69 N ATOM 1827 CA GLY B 21 -1.640 23.404 11.248 1.00 1.95 C ATOM 1828 C GLY B 21 -1.224 24.830 11.637 1.00 1.91 C ATOM 1829 O GLY B 21 -1.178 25.156 12.821 1.00 2.46 O ATOM 0 H GLY B 21 -0.163 21.919 11.229 1.00 1.69 H new ATOM 0 HA2 GLY B 21 -2.491 23.457 10.569 1.00 1.95 H new ATOM 0 HA3 GLY B 21 -1.977 22.878 12.141 1.00 1.95 H new ATOM 1832 N ARG B 22 -0.893 25.640 10.622 1.00 2.14 N ATOM 1833 CA ARG B 22 -0.085 26.883 10.642 1.00 2.28 C ATOM 1834 C ARG B 22 0.538 27.255 9.275 1.00 2.22 C ATOM 1835 O ARG B 22 0.961 28.396 9.099 1.00 3.01 O ATOM 1836 CB ARG B 22 1.062 26.804 11.674 1.00 2.40 C ATOM 1837 CG ARG B 22 1.937 25.541 11.508 1.00 2.23 C ATOM 1838 CD ARG B 22 3.412 25.849 11.264 1.00 2.51 C ATOM 1839 NE ARG B 22 4.071 26.395 12.457 1.00 2.40 N ATOM 1840 CZ ARG B 22 5.354 26.731 12.509 1.00 2.97 C ATOM 1841 NH1 ARG B 22 6.157 26.586 11.480 1.00 3.83 N ATOM 1842 NH2 ARG B 22 5.857 27.215 13.621 1.00 3.83 N ATOM 0 H ARG B 22 -1.210 25.429 9.676 1.00 2.14 H new ATOM 0 HA ARG B 22 -0.801 27.658 10.915 1.00 2.28 H new ATOM 0 HB2 ARG B 22 1.690 27.690 11.579 1.00 2.40 H new ATOM 0 HB3 ARG B 22 0.641 26.818 12.679 1.00 2.40 H new ATOM 0 HG2 ARG B 22 1.846 24.926 12.403 1.00 2.23 H new ATOM 0 HG3 ARG B 22 1.555 24.951 10.675 1.00 2.23 H new ATOM 0 HD2 ARG B 22 3.925 24.939 10.953 1.00 2.51 H new ATOM 0 HD3 ARG B 22 3.501 26.561 10.444 1.00 2.51 H new ATOM 0 HE ARG B 22 3.508 26.524 13.298 1.00 2.40 H new ATOM 0 HH11 ARG B 22 5.800 26.204 10.604 1.00 3.83 H new ATOM 0 HH12 ARG B 22 7.138 26.855 11.557 1.00 3.83 H new ATOM 0 HH21 ARG B 22 5.262 27.332 14.441 1.00 3.83 H new ATOM 0 HH22 ARG B 22 6.843 27.474 13.665 1.00 3.83 H new ATOM 1856 N GLU B 23 0.651 26.305 8.345 1.00 1.88 N ATOM 1857 CA GLU B 23 1.232 26.444 7.005 1.00 2.52 C ATOM 1858 C GLU B 23 0.174 26.114 5.928 1.00 2.43 C ATOM 1859 O GLU B 23 -0.981 25.825 6.249 1.00 2.86 O ATOM 1860 CB GLU B 23 2.502 25.554 6.924 1.00 3.36 C ATOM 1861 CG GLU B 23 3.726 26.323 7.442 1.00 4.02 C ATOM 1862 CD GLU B 23 4.889 25.430 7.900 1.00 5.11 C ATOM 1863 OE1 GLU B 23 5.308 24.535 7.131 1.00 6.14 O ATOM 1864 OE2 GLU B 23 5.367 25.673 9.032 1.00 5.52 O ATOM 0 H GLU B 23 0.318 25.356 8.517 1.00 1.88 H new ATOM 0 HA GLU B 23 1.539 27.472 6.813 1.00 2.52 H new ATOM 0 HB2 GLU B 23 2.357 24.648 7.513 1.00 3.36 H new ATOM 0 HB3 GLU B 23 2.670 25.241 5.893 1.00 3.36 H new ATOM 0 HG2 GLU B 23 4.082 26.988 6.655 1.00 4.02 H new ATOM 0 HG3 GLU B 23 3.418 26.953 8.276 1.00 4.02 H new ATOM 1871 N GLY B 24 0.524 26.220 4.642 1.00 2.81 N ATOM 1872 CA GLY B 24 -0.423 26.086 3.528 1.00 2.89 C ATOM 1873 C GLY B 24 -0.597 24.633 3.093 1.00 2.64 C ATOM 1874 O GLY B 24 0.393 23.949 2.867 1.00 3.89 O ATOM 0 H GLY B 24 1.481 26.403 4.341 1.00 2.81 H new ATOM 0 HA2 GLY B 24 -1.390 26.494 3.824 1.00 2.89 H new ATOM 0 HA3 GLY B 24 -0.073 26.678 2.682 1.00 2.89 H new ATOM 1877 N SER B 25 -1.856 24.209 2.915 1.00 2.29 N ATOM 1878 CA SER B 25 -2.293 22.859 2.508 1.00 2.20 C ATOM 1879 C SER B 25 -1.899 21.771 3.535 1.00 1.86 C ATOM 1880 O SER B 25 -0.729 21.509 3.802 1.00 2.04 O ATOM 1881 CB SER B 25 -1.885 22.555 1.050 1.00 2.80 C ATOM 1882 OG SER B 25 -1.420 21.232 0.844 1.00 3.75 O ATOM 0 H SER B 25 -2.648 24.835 3.059 1.00 2.29 H new ATOM 0 HA SER B 25 -3.383 22.840 2.514 1.00 2.20 H new ATOM 0 HB2 SER B 25 -2.741 22.733 0.400 1.00 2.80 H new ATOM 0 HB3 SER B 25 -1.105 23.254 0.749 1.00 2.80 H new ATOM 0 HG SER B 25 -0.440 21.221 0.872 1.00 3.75 H new ATOM 1888 N LYS B 26 -2.872 21.061 4.125 1.00 1.68 N ATOM 1889 CA LYS B 26 -2.605 20.201 5.294 1.00 1.36 C ATOM 1890 C LYS B 26 -1.980 18.830 4.921 1.00 1.34 C ATOM 1891 O LYS B 26 -1.693 17.993 5.781 1.00 1.42 O ATOM 1892 CB LYS B 26 -3.859 20.075 6.176 1.00 1.47 C ATOM 1893 CG LYS B 26 -4.429 21.379 6.779 1.00 1.54 C ATOM 1894 CD LYS B 26 -5.754 21.872 6.160 1.00 1.64 C ATOM 1895 CE LYS B 26 -5.538 22.709 4.895 1.00 2.16 C ATOM 1896 NZ LYS B 26 -6.777 22.953 4.120 1.00 2.67 N ATOM 0 H LYS B 26 -3.844 21.063 3.817 1.00 1.68 H new ATOM 0 HA LYS B 26 -1.837 20.696 5.888 1.00 1.36 H new ATOM 0 HB2 LYS B 26 -4.644 19.605 5.583 1.00 1.47 H new ATOM 0 HB3 LYS B 26 -3.629 19.395 6.996 1.00 1.47 H new ATOM 0 HG2 LYS B 26 -4.581 21.229 7.848 1.00 1.54 H new ATOM 0 HG3 LYS B 26 -3.682 22.166 6.671 1.00 1.54 H new ATOM 0 HD2 LYS B 26 -6.380 21.013 5.920 1.00 1.64 H new ATOM 0 HD3 LYS B 26 -6.296 22.466 6.896 1.00 1.64 H new ATOM 0 HE2 LYS B 26 -5.101 23.668 5.175 1.00 2.16 H new ATOM 0 HE3 LYS B 26 -4.814 22.204 4.256 1.00 2.16 H new ATOM 0 HZ1 LYS B 26 -6.560 23.553 3.298 1.00 2.67 H new ATOM 0 HZ2 LYS B 26 -7.166 22.046 3.793 1.00 2.67 H new ATOM 0 HZ3 LYS B 26 -7.475 23.432 4.724 1.00 2.67 H new ATOM 1910 N LEU B 27 -1.742 18.622 3.620 1.00 1.45 N ATOM 1911 CA LEU B 27 -0.938 17.546 3.040 1.00 1.44 C ATOM 1912 C LEU B 27 0.468 18.007 2.590 1.00 1.12 C ATOM 1913 O LEU B 27 1.192 17.191 2.021 1.00 1.05 O ATOM 1914 CB LEU B 27 -1.718 16.844 1.903 1.00 1.97 C ATOM 1915 CG LEU B 27 -2.046 17.689 0.649 1.00 2.25 C ATOM 1916 CD1 LEU B 27 -2.316 16.746 -0.537 1.00 2.76 C ATOM 1917 CD2 LEU B 27 -3.292 18.568 0.846 1.00 3.05 C ATOM 0 H LEU B 27 -2.129 19.238 2.905 1.00 1.45 H new ATOM 0 HA LEU B 27 -0.756 16.818 3.830 1.00 1.44 H new ATOM 0 HB2 LEU B 27 -1.143 15.975 1.584 1.00 1.97 H new ATOM 0 HB3 LEU B 27 -2.656 16.472 2.315 1.00 1.97 H new ATOM 0 HG LEU B 27 -1.190 18.338 0.463 1.00 2.25 H new ATOM 0 HD11 LEU B 27 -2.548 17.335 -1.424 1.00 2.76 H new ATOM 0 HD12 LEU B 27 -1.432 16.137 -0.726 1.00 2.76 H new ATOM 0 HD13 LEU B 27 -3.160 16.097 -0.301 1.00 2.76 H new ATOM 0 HD21 LEU B 27 -3.480 19.141 -0.062 1.00 3.05 H new ATOM 0 HD22 LEU B 27 -4.153 17.935 1.061 1.00 3.05 H new ATOM 0 HD23 LEU B 27 -3.127 19.251 1.679 1.00 3.05 H new ATOM 1929 N THR B 28 0.852 19.267 2.859 1.00 1.05 N ATOM 1930 CA THR B 28 2.188 19.839 2.619 1.00 0.86 C ATOM 1931 C THR B 28 2.744 20.528 3.873 1.00 0.89 C ATOM 1932 O THR B 28 2.015 20.733 4.842 1.00 1.16 O ATOM 1933 CB THR B 28 2.175 20.812 1.425 1.00 0.89 C ATOM 1934 OG1 THR B 28 1.071 21.671 1.498 1.00 1.28 O ATOM 1935 CG2 THR B 28 2.020 20.097 0.083 1.00 0.84 C ATOM 0 H THR B 28 0.210 19.945 3.268 1.00 1.05 H new ATOM 0 HA THR B 28 2.851 19.009 2.374 1.00 0.86 H new ATOM 0 HB THR B 28 3.128 21.338 1.480 1.00 0.89 H new ATOM 0 HG1 THR B 28 1.244 22.370 2.163 1.00 1.28 H new ATOM 0 HG21 THR B 28 2.017 20.831 -0.722 1.00 0.84 H new ATOM 0 HG22 THR B 28 2.851 19.406 -0.059 1.00 0.84 H new ATOM 0 HG23 THR B 28 1.081 19.543 0.072 1.00 0.84 H new ATOM 1943 N LEU B 29 4.028 20.905 3.850 1.00 0.75 N ATOM 1944 CA LEU B 29 4.758 21.666 4.888 1.00 0.78 C ATOM 1945 C LEU B 29 6.106 22.172 4.335 1.00 0.80 C ATOM 1946 O LEU B 29 6.460 21.830 3.206 1.00 0.92 O ATOM 1947 CB LEU B 29 4.894 20.862 6.211 1.00 0.72 C ATOM 1948 CG LEU B 29 5.995 19.780 6.292 1.00 0.62 C ATOM 1949 CD1 LEU B 29 5.965 19.119 7.678 1.00 0.73 C ATOM 1950 CD2 LEU B 29 5.860 18.666 5.252 1.00 0.63 C ATOM 0 H LEU B 29 4.629 20.675 3.058 1.00 0.75 H new ATOM 0 HA LEU B 29 4.172 22.547 5.149 1.00 0.78 H new ATOM 0 HB2 LEU B 29 5.065 21.574 7.018 1.00 0.72 H new ATOM 0 HB3 LEU B 29 3.937 20.380 6.409 1.00 0.72 H new ATOM 0 HG LEU B 29 6.931 20.303 6.098 1.00 0.62 H new ATOM 0 HD11 LEU B 29 6.742 18.356 7.734 1.00 0.73 H new ATOM 0 HD12 LEU B 29 6.141 19.873 8.445 1.00 0.73 H new ATOM 0 HD13 LEU B 29 4.991 18.658 7.840 1.00 0.73 H new ATOM 0 HD21 LEU B 29 6.672 17.950 5.379 1.00 0.63 H new ATOM 0 HD22 LEU B 29 4.904 18.159 5.384 1.00 0.63 H new ATOM 0 HD23 LEU B 29 5.908 19.095 4.251 1.00 0.63 H new ATOM 1962 N SER B 30 6.880 22.968 5.075 1.00 0.79 N ATOM 1963 CA SER B 30 8.240 23.331 4.607 1.00 0.80 C ATOM 1964 C SER B 30 9.244 22.154 4.635 1.00 0.78 C ATOM 1965 O SER B 30 9.198 21.267 5.498 1.00 0.77 O ATOM 1966 CB SER B 30 8.835 24.530 5.371 1.00 0.87 C ATOM 1967 OG SER B 30 9.318 24.163 6.657 1.00 1.55 O ATOM 0 H SER B 30 6.610 23.368 5.974 1.00 0.79 H new ATOM 0 HA SER B 30 8.092 23.617 3.566 1.00 0.80 H new ATOM 0 HB2 SER B 30 9.649 24.961 4.789 1.00 0.87 H new ATOM 0 HB3 SER B 30 8.075 25.304 5.478 1.00 0.87 H new ATOM 0 HG SER B 30 9.687 24.952 7.105 1.00 1.55 H new ATOM 1973 N ARG B 31 10.246 22.175 3.744 1.00 0.87 N ATOM 1974 CA ARG B 31 11.380 21.243 3.764 1.00 0.88 C ATOM 1975 C ARG B 31 12.258 21.392 5.013 1.00 0.80 C ATOM 1976 O ARG B 31 13.029 20.482 5.317 1.00 0.91 O ATOM 1977 CB ARG B 31 12.135 21.342 2.429 1.00 1.21 C ATOM 1978 CG ARG B 31 13.331 20.370 2.307 1.00 1.52 C ATOM 1979 CD ARG B 31 13.652 20.010 0.849 1.00 1.34 C ATOM 1980 NE ARG B 31 14.316 18.692 0.721 1.00 2.03 N ATOM 1981 CZ ARG B 31 13.724 17.577 0.280 1.00 2.37 C ATOM 1982 NH1 ARG B 31 12.480 17.565 -0.137 1.00 2.59 N ATOM 1983 NH2 ARG B 31 14.338 16.416 0.222 1.00 3.13 N ATOM 0 H ARG B 31 10.291 22.849 2.980 1.00 0.87 H new ATOM 0 HA ARG B 31 11.007 20.223 3.851 1.00 0.88 H new ATOM 0 HB2 ARG B 31 11.438 21.147 1.614 1.00 1.21 H new ATOM 0 HB3 ARG B 31 12.496 22.363 2.303 1.00 1.21 H new ATOM 0 HG2 ARG B 31 14.210 20.821 2.768 1.00 1.52 H new ATOM 0 HG3 ARG B 31 13.112 19.458 2.863 1.00 1.52 H new ATOM 0 HD2 ARG B 31 12.730 20.006 0.268 1.00 1.34 H new ATOM 0 HD3 ARG B 31 14.295 20.780 0.422 1.00 1.34 H new ATOM 0 HE ARG B 31 15.298 18.630 0.989 1.00 2.03 H new ATOM 0 HH11 ARG B 31 11.932 18.425 -0.131 1.00 2.59 H new ATOM 0 HH12 ARG B 31 12.061 16.695 -0.467 1.00 2.59 H new ATOM 0 HH21 ARG B 31 15.310 16.338 0.521 1.00 3.13 H new ATOM 0 HH22 ARG B 31 13.842 15.594 -0.122 1.00 3.13 H new ATOM 1997 N LYS B 32 12.102 22.461 5.806 1.00 0.83 N ATOM 1998 CA LYS B 32 12.586 22.500 7.192 1.00 0.86 C ATOM 1999 C LYS B 32 11.694 21.664 8.121 1.00 0.92 C ATOM 2000 O LYS B 32 12.236 20.829 8.851 1.00 1.12 O ATOM 2001 CB LYS B 32 12.754 23.958 7.688 1.00 1.02 C ATOM 2002 CG LYS B 32 13.814 24.134 8.804 1.00 1.72 C ATOM 2003 CD LYS B 32 13.435 23.675 10.229 1.00 3.59 C ATOM 2004 CE LYS B 32 12.585 24.710 10.976 1.00 4.97 C ATOM 2005 NZ LYS B 32 11.732 24.079 12.017 1.00 7.28 N ATOM 0 H LYS B 32 11.639 23.319 5.506 1.00 0.83 H new ATOM 0 HA LYS B 32 13.575 22.043 7.215 1.00 0.86 H new ATOM 0 HB2 LYS B 32 13.027 24.588 6.841 1.00 1.02 H new ATOM 0 HB3 LYS B 32 11.793 24.317 8.056 1.00 1.02 H new ATOM 0 HG2 LYS B 32 14.711 23.592 8.504 1.00 1.72 H new ATOM 0 HG3 LYS B 32 14.080 25.190 8.851 1.00 1.72 H new ATOM 0 HD2 LYS B 32 12.887 22.735 10.170 1.00 3.59 H new ATOM 0 HD3 LYS B 32 14.344 23.479 10.797 1.00 3.59 H new ATOM 0 HE2 LYS B 32 13.238 25.449 11.440 1.00 4.97 H new ATOM 0 HE3 LYS B 32 11.955 25.244 10.265 1.00 4.97 H new ATOM 0 HZ1 LYS B 32 11.413 24.804 12.691 1.00 7.28 H new ATOM 0 HZ2 LYS B 32 10.905 23.636 11.567 1.00 7.28 H new ATOM 0 HZ3 LYS B 32 12.280 23.354 12.523 1.00 7.28 H new ATOM 2019 N GLU B 33 10.368 21.839 8.131 1.00 0.84 N ATOM 2020 CA GLU B 33 9.516 21.195 9.137 1.00 0.79 C ATOM 2021 C GLU B 33 9.542 19.661 9.052 1.00 0.74 C ATOM 2022 O GLU B 33 9.530 19.021 10.096 1.00 0.74 O ATOM 2023 CB GLU B 33 8.074 21.734 9.132 1.00 0.95 C ATOM 2024 CG GLU B 33 7.869 23.192 9.581 1.00 1.21 C ATOM 2025 CD GLU B 33 9.027 23.753 10.403 1.00 2.03 C ATOM 2026 OE1 GLU B 33 9.092 23.541 11.635 1.00 2.89 O ATOM 2027 OE2 GLU B 33 9.950 24.333 9.799 1.00 3.29 O ATOM 0 H GLU B 33 9.864 22.417 7.459 1.00 0.84 H new ATOM 0 HA GLU B 33 9.954 21.465 10.098 1.00 0.79 H new ATOM 0 HB2 GLU B 33 7.678 21.632 8.121 1.00 0.95 H new ATOM 0 HB3 GLU B 33 7.471 21.094 9.776 1.00 0.95 H new ATOM 0 HG2 GLU B 33 7.725 23.817 8.700 1.00 1.21 H new ATOM 0 HG3 GLU B 33 6.954 23.256 10.169 1.00 1.21 H new ATOM 2034 N LEU B 34 9.727 19.054 7.875 1.00 0.71 N ATOM 2035 CA LEU B 34 9.977 17.602 7.769 1.00 0.66 C ATOM 2036 C LEU B 34 11.175 17.123 8.610 1.00 0.60 C ATOM 2037 O LEU B 34 11.101 16.080 9.259 1.00 0.61 O ATOM 2038 CB LEU B 34 10.119 17.231 6.284 1.00 0.70 C ATOM 2039 CG LEU B 34 10.510 15.772 5.982 1.00 0.76 C ATOM 2040 CD1 LEU B 34 9.503 14.800 6.592 1.00 1.12 C ATOM 2041 CD2 LEU B 34 10.544 15.486 4.470 1.00 0.99 C ATOM 0 H LEU B 34 9.709 19.541 6.979 1.00 0.71 H new ATOM 0 HA LEU B 34 9.122 17.077 8.194 1.00 0.66 H new ATOM 0 HB2 LEU B 34 9.173 17.442 5.786 1.00 0.70 H new ATOM 0 HB3 LEU B 34 10.867 17.886 5.837 1.00 0.70 H new ATOM 0 HG LEU B 34 11.502 15.633 6.412 1.00 0.76 H new ATOM 0 HD11 LEU B 34 9.801 13.777 6.365 1.00 1.12 H new ATOM 0 HD12 LEU B 34 9.473 14.938 7.673 1.00 1.12 H new ATOM 0 HD13 LEU B 34 8.514 14.991 6.175 1.00 1.12 H new ATOM 0 HD21 LEU B 34 10.824 14.446 4.303 1.00 0.99 H new ATOM 0 HD22 LEU B 34 9.558 15.670 4.043 1.00 0.99 H new ATOM 0 HD23 LEU B 34 11.274 16.140 3.992 1.00 0.99 H new ATOM 2053 N LYS B 35 12.272 17.886 8.662 1.00 0.64 N ATOM 2054 CA LYS B 35 13.422 17.584 9.528 1.00 0.70 C ATOM 2055 C LYS B 35 13.037 17.630 11.022 1.00 0.76 C ATOM 2056 O LYS B 35 13.540 16.833 11.815 1.00 0.85 O ATOM 2057 CB LYS B 35 14.613 18.493 9.123 1.00 0.82 C ATOM 2058 CG LYS B 35 14.974 19.644 10.086 1.00 1.56 C ATOM 2059 CD LYS B 35 15.705 20.806 9.391 1.00 1.91 C ATOM 2060 CE LYS B 35 17.129 20.492 8.924 1.00 2.06 C ATOM 2061 NZ LYS B 35 17.655 21.614 8.108 1.00 3.21 N ATOM 0 H LYS B 35 12.390 18.732 8.105 1.00 0.64 H new ATOM 0 HA LYS B 35 13.752 16.556 9.380 1.00 0.70 H new ATOM 0 HB2 LYS B 35 15.494 17.863 9.002 1.00 0.82 H new ATOM 0 HB3 LYS B 35 14.393 18.924 8.146 1.00 0.82 H new ATOM 0 HG2 LYS B 35 14.062 20.021 10.549 1.00 1.56 H new ATOM 0 HG3 LYS B 35 15.602 19.255 10.888 1.00 1.56 H new ATOM 0 HD2 LYS B 35 15.117 21.120 8.528 1.00 1.91 H new ATOM 0 HD3 LYS B 35 15.743 21.653 10.076 1.00 1.91 H new ATOM 0 HE2 LYS B 35 17.775 20.325 9.786 1.00 2.06 H new ATOM 0 HE3 LYS B 35 17.134 19.572 8.339 1.00 2.06 H new ATOM 0 HZ1 LYS B 35 18.667 21.464 7.923 1.00 3.21 H new ATOM 0 HZ2 LYS B 35 17.141 21.657 7.205 1.00 3.21 H new ATOM 0 HZ3 LYS B 35 17.526 22.508 8.623 1.00 3.21 H new ATOM 2075 N GLU B 36 12.109 18.522 11.383 1.00 0.79 N ATOM 2076 CA GLU B 36 11.589 18.738 12.730 1.00 0.87 C ATOM 2077 C GLU B 36 10.629 17.611 13.145 1.00 0.83 C ATOM 2078 O GLU B 36 10.775 17.032 14.218 1.00 0.95 O ATOM 2079 CB GLU B 36 10.873 20.105 12.744 1.00 1.04 C ATOM 2080 CG GLU B 36 10.893 20.763 14.118 1.00 1.20 C ATOM 2081 CD GLU B 36 12.298 21.248 14.439 1.00 1.77 C ATOM 2082 OE1 GLU B 36 12.668 22.328 13.931 1.00 2.95 O ATOM 2083 OE2 GLU B 36 12.962 20.555 15.240 1.00 2.41 O ATOM 0 H GLU B 36 11.678 19.147 10.701 1.00 0.79 H new ATOM 0 HA GLU B 36 12.408 18.733 13.450 1.00 0.87 H new ATOM 0 HB2 GLU B 36 11.349 20.768 12.021 1.00 1.04 H new ATOM 0 HB3 GLU B 36 9.840 19.973 12.423 1.00 1.04 H new ATOM 0 HG2 GLU B 36 10.196 21.601 14.140 1.00 1.20 H new ATOM 0 HG3 GLU B 36 10.562 20.053 14.876 1.00 1.20 H new ATOM 2090 N LEU B 37 9.679 17.283 12.263 1.00 0.75 N ATOM 2091 CA LEU B 37 8.722 16.188 12.338 1.00 0.73 C ATOM 2092 C LEU B 37 9.420 14.855 12.564 1.00 0.71 C ATOM 2093 O LEU B 37 9.097 14.170 13.530 1.00 0.81 O ATOM 2094 CB LEU B 37 7.898 16.259 11.034 1.00 0.69 C ATOM 2095 CG LEU B 37 7.021 15.054 10.654 1.00 0.74 C ATOM 2096 CD1 LEU B 37 6.042 14.639 11.749 1.00 1.06 C ATOM 2097 CD2 LEU B 37 6.241 15.399 9.377 1.00 1.17 C ATOM 0 H LEU B 37 9.554 17.826 11.409 1.00 0.75 H new ATOM 0 HA LEU B 37 8.054 16.278 13.195 1.00 0.73 H new ATOM 0 HB2 LEU B 37 7.250 17.133 11.098 1.00 0.69 H new ATOM 0 HB3 LEU B 37 8.592 16.436 10.212 1.00 0.69 H new ATOM 0 HG LEU B 37 7.688 14.206 10.501 1.00 0.74 H new ATOM 0 HD11 LEU B 37 5.458 13.784 11.410 1.00 1.06 H new ATOM 0 HD12 LEU B 37 6.595 14.367 12.648 1.00 1.06 H new ATOM 0 HD13 LEU B 37 5.373 15.470 11.973 1.00 1.06 H new ATOM 0 HD21 LEU B 37 5.614 14.554 9.094 1.00 1.17 H new ATOM 0 HD22 LEU B 37 5.614 16.272 9.558 1.00 1.17 H new ATOM 0 HD23 LEU B 37 6.941 15.617 8.571 1.00 1.17 H new ATOM 2109 N ILE B 38 10.400 14.492 11.729 1.00 0.67 N ATOM 2110 CA ILE B 38 11.100 13.211 11.897 1.00 0.74 C ATOM 2111 C ILE B 38 11.906 13.203 13.200 1.00 0.81 C ATOM 2112 O ILE B 38 11.657 12.350 14.045 1.00 1.28 O ATOM 2113 CB ILE B 38 11.913 12.834 10.634 1.00 0.78 C ATOM 2114 CG1 ILE B 38 10.912 12.565 9.482 1.00 1.22 C ATOM 2115 CG2 ILE B 38 12.795 11.594 10.891 1.00 1.21 C ATOM 2116 CD1 ILE B 38 11.567 12.300 8.125 1.00 1.49 C ATOM 0 H ILE B 38 10.723 15.055 10.942 1.00 0.67 H new ATOM 0 HA ILE B 38 10.364 12.413 11.999 1.00 0.74 H new ATOM 0 HB ILE B 38 12.582 13.653 10.368 1.00 0.78 H new ATOM 0 HG12 ILE B 38 10.294 11.707 9.747 1.00 1.22 H new ATOM 0 HG13 ILE B 38 10.245 13.422 9.389 1.00 1.22 H new ATOM 0 HG21 ILE B 38 13.355 11.352 9.987 1.00 1.21 H new ATOM 0 HG22 ILE B 38 13.491 11.804 11.703 1.00 1.21 H new ATOM 0 HG23 ILE B 38 12.163 10.749 11.164 1.00 1.21 H new ATOM 0 HD11 ILE B 38 10.795 12.122 7.377 1.00 1.49 H new ATOM 0 HD12 ILE B 38 12.162 13.165 7.833 1.00 1.49 H new ATOM 0 HD13 ILE B 38 12.211 11.424 8.197 1.00 1.49 H new ATOM 2128 N LYS B 39 12.830 14.144 13.422 1.00 0.71 N ATOM 2129 CA LYS B 39 13.711 14.048 14.592 1.00 0.88 C ATOM 2130 C LYS B 39 12.999 14.249 15.944 1.00 0.93 C ATOM 2131 O LYS B 39 13.532 13.805 16.968 1.00 1.22 O ATOM 2132 CB LYS B 39 14.949 14.962 14.435 1.00 1.04 C ATOM 2133 CG LYS B 39 16.289 14.199 14.441 1.00 1.23 C ATOM 2134 CD LYS B 39 16.518 13.273 15.650 1.00 1.75 C ATOM 2135 CE LYS B 39 16.554 14.009 16.993 1.00 3.00 C ATOM 2136 NZ LYS B 39 16.139 13.105 18.087 1.00 4.04 N ATOM 0 H LYS B 39 12.986 14.958 12.827 1.00 0.71 H new ATOM 0 HA LYS B 39 14.055 13.014 14.620 1.00 0.88 H new ATOM 0 HB2 LYS B 39 14.862 15.519 13.502 1.00 1.04 H new ATOM 0 HB3 LYS B 39 14.954 15.693 15.243 1.00 1.04 H new ATOM 0 HG2 LYS B 39 16.352 13.602 13.531 1.00 1.23 H new ATOM 0 HG3 LYS B 39 17.101 14.925 14.402 1.00 1.23 H new ATOM 0 HD2 LYS B 39 15.726 12.524 15.678 1.00 1.75 H new ATOM 0 HD3 LYS B 39 17.458 12.738 15.514 1.00 1.75 H new ATOM 0 HE2 LYS B 39 17.560 14.383 17.183 1.00 3.00 H new ATOM 0 HE3 LYS B 39 15.893 14.875 16.958 1.00 3.00 H new ATOM 0 HZ1 LYS B 39 15.268 13.467 18.525 1.00 4.04 H new ATOM 0 HZ2 LYS B 39 15.964 12.154 17.704 1.00 4.04 H new ATOM 0 HZ3 LYS B 39 16.893 13.057 18.802 1.00 4.04 H new ATOM 2150 N LYS B 40 11.823 14.885 15.984 1.00 0.86 N ATOM 2151 CA LYS B 40 10.960 14.934 17.173 1.00 1.02 C ATOM 2152 C LYS B 40 10.019 13.726 17.283 1.00 1.06 C ATOM 2153 O LYS B 40 10.095 13.008 18.277 1.00 1.43 O ATOM 2154 CB LYS B 40 10.169 16.238 17.215 1.00 1.13 C ATOM 2155 CG LYS B 40 11.100 17.425 17.515 1.00 1.40 C ATOM 2156 CD LYS B 40 10.244 18.636 17.870 1.00 1.72 C ATOM 2157 CE LYS B 40 11.051 19.754 18.546 1.00 1.82 C ATOM 2158 NZ LYS B 40 11.946 20.493 17.623 1.00 2.18 N ATOM 0 H LYS B 40 11.438 15.386 15.183 1.00 0.86 H new ATOM 0 HA LYS B 40 11.623 14.892 18.037 1.00 1.02 H new ATOM 0 HB2 LYS B 40 9.666 16.395 16.261 1.00 1.13 H new ATOM 0 HB3 LYS B 40 9.393 16.175 17.978 1.00 1.13 H new ATOM 0 HG2 LYS B 40 11.771 17.181 18.339 1.00 1.40 H new ATOM 0 HG3 LYS B 40 11.725 17.644 16.649 1.00 1.40 H new ATOM 0 HD2 LYS B 40 9.779 19.026 16.964 1.00 1.72 H new ATOM 0 HD3 LYS B 40 9.437 18.324 18.533 1.00 1.72 H new ATOM 0 HE2 LYS B 40 10.360 20.459 19.008 1.00 1.82 H new ATOM 0 HE3 LYS B 40 11.649 19.322 19.348 1.00 1.82 H new ATOM 0 HZ1 LYS B 40 12.884 20.600 18.060 1.00 2.18 H new ATOM 0 HZ2 LYS B 40 12.038 19.965 16.732 1.00 2.18 H new ATOM 0 HZ3 LYS B 40 11.545 21.433 17.429 1.00 2.18 H new ATOM 2172 N GLU B 41 9.148 13.491 16.296 1.00 0.98 N ATOM 2173 CA GLU B 41 8.091 12.470 16.393 1.00 1.25 C ATOM 2174 C GLU B 41 8.609 11.034 16.176 1.00 1.16 C ATOM 2175 O GLU B 41 7.859 10.084 16.406 1.00 1.45 O ATOM 2176 CB GLU B 41 6.931 12.753 15.419 1.00 1.80 C ATOM 2177 CG GLU B 41 6.362 14.178 15.439 1.00 2.60 C ATOM 2178 CD GLU B 41 5.708 14.576 16.753 1.00 4.63 C ATOM 2179 OE1 GLU B 41 4.516 14.258 16.966 1.00 5.40 O ATOM 2180 OE2 GLU B 41 6.313 15.360 17.519 1.00 5.95 O ATOM 0 H GLU B 41 9.152 13.998 15.411 1.00 0.98 H new ATOM 0 HA GLU B 41 7.724 12.536 17.417 1.00 1.25 H new ATOM 0 HB2 GLU B 41 7.272 12.535 14.407 1.00 1.80 H new ATOM 0 HB3 GLU B 41 6.121 12.058 15.639 1.00 1.80 H new ATOM 0 HG2 GLU B 41 7.166 14.880 15.220 1.00 2.60 H new ATOM 0 HG3 GLU B 41 5.629 14.274 14.638 1.00 2.60 H new ATOM 2187 N LEU B 42 9.879 10.848 15.766 1.00 1.02 N ATOM 2188 CA LEU B 42 10.519 9.550 15.577 1.00 1.21 C ATOM 2189 C LEU B 42 12.001 9.539 16.015 1.00 1.27 C ATOM 2190 O LEU B 42 12.910 9.892 15.266 1.00 1.84 O ATOM 2191 CB LEU B 42 10.331 9.152 14.101 1.00 1.67 C ATOM 2192 CG LEU B 42 10.079 7.653 13.932 1.00 1.71 C ATOM 2193 CD1 LEU B 42 10.002 7.355 12.434 1.00 2.07 C ATOM 2194 CD2 LEU B 42 11.144 6.763 14.576 1.00 2.03 C ATOM 0 H LEU B 42 10.500 11.629 15.553 1.00 1.02 H new ATOM 0 HA LEU B 42 10.047 8.810 16.224 1.00 1.21 H new ATOM 0 HB2 LEU B 42 9.493 9.709 13.681 1.00 1.67 H new ATOM 0 HB3 LEU B 42 11.218 9.435 13.535 1.00 1.67 H new ATOM 0 HG LEU B 42 9.147 7.419 14.447 1.00 1.71 H new ATOM 0 HD11 LEU B 42 9.823 6.290 12.284 1.00 2.07 H new ATOM 0 HD12 LEU B 42 9.187 7.927 11.991 1.00 2.07 H new ATOM 0 HD13 LEU B 42 10.942 7.635 11.959 1.00 2.07 H new ATOM 0 HD21 LEU B 42 10.891 5.716 14.411 1.00 2.03 H new ATOM 0 HD22 LEU B 42 12.115 6.977 14.130 1.00 2.03 H new ATOM 0 HD23 LEU B 42 11.185 6.962 15.647 1.00 2.03 H new ATOM 2206 N CYS B 43 12.286 9.044 17.223 1.00 1.31 N ATOM 2207 CA CYS B 43 13.620 9.074 17.851 1.00 1.42 C ATOM 2208 C CYS B 43 14.689 8.138 17.236 1.00 1.72 C ATOM 2209 O CYS B 43 15.763 7.973 17.808 1.00 2.40 O ATOM 2210 CB CYS B 43 13.460 8.848 19.361 1.00 1.54 C ATOM 2211 SG CYS B 43 12.932 7.141 19.674 1.00 3.51 S ATOM 0 H CYS B 43 11.581 8.599 17.810 1.00 1.31 H new ATOM 0 HA CYS B 43 14.028 10.064 17.645 1.00 1.42 H new ATOM 0 HB2 CYS B 43 14.404 9.046 19.870 1.00 1.54 H new ATOM 0 HB3 CYS B 43 12.727 9.545 19.767 1.00 1.54 H new ATOM 0 HG CYS B 43 12.801 6.955 20.954 1.00 3.51 H new ATOM 2217 N LEU B 44 14.450 7.541 16.062 1.00 2.45 N ATOM 2218 CA LEU B 44 15.431 6.687 15.380 1.00 2.86 C ATOM 2219 C LEU B 44 16.609 7.479 14.780 1.00 3.47 C ATOM 2220 O LEU B 44 17.504 6.896 14.169 1.00 4.19 O ATOM 2221 CB LEU B 44 14.693 5.767 14.380 1.00 3.51 C ATOM 2222 CG LEU B 44 14.596 6.132 12.875 1.00 3.52 C ATOM 2223 CD1 LEU B 44 13.435 5.373 12.208 1.00 4.36 C ATOM 2224 CD2 LEU B 44 14.467 7.618 12.521 1.00 4.18 C ATOM 0 H LEU B 44 13.569 7.637 15.557 1.00 2.45 H new ATOM 0 HA LEU B 44 15.919 6.045 16.113 1.00 2.86 H new ATOM 0 HB2 LEU B 44 15.166 4.787 14.440 1.00 3.51 H new ATOM 0 HB3 LEU B 44 13.673 5.652 14.746 1.00 3.51 H new ATOM 0 HG LEU B 44 15.570 5.829 12.491 1.00 3.52 H new ATOM 0 HD11 LEU B 44 13.383 5.642 11.153 1.00 4.36 H new ATOM 0 HD12 LEU B 44 13.601 4.300 12.301 1.00 4.36 H new ATOM 0 HD13 LEU B 44 12.498 5.639 12.697 1.00 4.36 H new ATOM 0 HD21 LEU B 44 14.409 7.730 11.438 1.00 4.18 H new ATOM 0 HD22 LEU B 44 13.564 8.024 12.977 1.00 4.18 H new ATOM 0 HD23 LEU B 44 15.337 8.158 12.895 1.00 4.18 H new ATOM 2236 N GLY B 45 16.604 8.810 14.898 1.00 3.80 N ATOM 2237 CA GLY B 45 17.467 9.719 14.145 1.00 4.88 C ATOM 2238 C GLY B 45 18.925 9.545 14.537 1.00 4.48 C ATOM 2239 O GLY B 45 19.746 9.237 13.683 1.00 5.34 O ATOM 0 H GLY B 45 15.979 9.298 15.540 1.00 3.80 H new ATOM 0 HA2 GLY B 45 17.350 9.534 13.077 1.00 4.88 H new ATOM 0 HA3 GLY B 45 17.160 10.749 14.325 1.00 4.88 H new ATOM 2242 N GLU B 46 19.213 9.641 15.827 1.00 3.69 N ATOM 2243 CA GLU B 46 20.539 9.496 16.428 1.00 3.70 C ATOM 2244 C GLU B 46 21.023 8.038 16.574 1.00 2.96 C ATOM 2245 O GLU B 46 22.191 7.820 16.872 1.00 3.48 O ATOM 2246 CB GLU B 46 20.560 10.251 17.770 1.00 4.30 C ATOM 2247 CG GLU B 46 19.430 9.914 18.758 1.00 4.22 C ATOM 2248 CD GLU B 46 18.248 10.870 18.591 1.00 5.12 C ATOM 2249 OE1 GLU B 46 17.448 10.696 17.644 1.00 5.64 O ATOM 2250 OE2 GLU B 46 18.147 11.867 19.335 1.00 5.95 O ATOM 0 H GLU B 46 18.492 9.832 16.523 1.00 3.69 H new ATOM 0 HA GLU B 46 21.258 9.938 15.738 1.00 3.70 H new ATOM 0 HB2 GLU B 46 21.513 10.052 18.260 1.00 4.30 H new ATOM 0 HB3 GLU B 46 20.525 11.320 17.562 1.00 4.30 H new ATOM 0 HG2 GLU B 46 19.097 8.888 18.598 1.00 4.22 H new ATOM 0 HG3 GLU B 46 19.807 9.972 19.779 1.00 4.22 H new ATOM 2257 N MET B 47 20.167 7.029 16.340 1.00 2.34 N ATOM 2258 CA MET B 47 20.549 5.611 16.479 1.00 2.16 C ATOM 2259 C MET B 47 21.508 5.101 15.375 1.00 1.71 C ATOM 2260 O MET B 47 22.091 4.036 15.521 1.00 2.17 O ATOM 2261 CB MET B 47 19.302 4.715 16.541 1.00 2.75 C ATOM 2262 CG MET B 47 18.331 5.034 17.685 1.00 3.36 C ATOM 2263 SD MET B 47 16.944 3.870 17.907 1.00 3.68 S ATOM 2264 CE MET B 47 16.812 3.030 16.300 1.00 2.92 C ATOM 0 H MET B 47 19.199 7.170 16.052 1.00 2.34 H new ATOM 0 HA MET B 47 21.101 5.551 17.417 1.00 2.16 H new ATOM 0 HB2 MET B 47 18.766 4.798 15.596 1.00 2.75 H new ATOM 0 HB3 MET B 47 19.623 3.678 16.635 1.00 2.75 H new ATOM 0 HG2 MET B 47 18.898 5.074 18.615 1.00 3.36 H new ATOM 0 HG3 MET B 47 17.920 6.030 17.519 1.00 3.36 H new ATOM 0 HE1 MET B 47 15.880 2.467 16.259 1.00 2.92 H new ATOM 0 HE2 MET B 47 16.824 3.771 15.500 1.00 2.92 H new ATOM 0 HE3 MET B 47 17.653 2.348 16.176 1.00 2.92 H new ATOM 2274 N LYS B 48 21.635 5.819 14.251 1.00 1.65 N ATOM 2275 CA LYS B 48 22.465 5.515 13.094 1.00 1.73 C ATOM 2276 C LYS B 48 23.006 6.815 12.487 1.00 1.97 C ATOM 2277 O LYS B 48 22.220 7.757 12.383 1.00 2.44 O ATOM 2278 CB LYS B 48 21.667 4.797 11.995 1.00 2.11 C ATOM 2279 CG LYS B 48 20.474 3.944 12.393 1.00 2.33 C ATOM 2280 CD LYS B 48 19.215 4.748 12.708 1.00 3.72 C ATOM 2281 CE LYS B 48 18.834 5.787 11.644 1.00 4.90 C ATOM 2282 NZ LYS B 48 19.393 7.129 11.957 1.00 6.75 N ATOM 0 H LYS B 48 21.119 6.690 14.125 1.00 1.65 H new ATOM 0 HA LYS B 48 23.272 4.870 13.441 1.00 1.73 H new ATOM 0 HB2 LYS B 48 21.312 5.555 11.297 1.00 2.11 H new ATOM 0 HB3 LYS B 48 22.361 4.159 11.447 1.00 2.11 H new ATOM 0 HG2 LYS B 48 20.254 3.245 11.586 1.00 2.33 H new ATOM 0 HG3 LYS B 48 20.741 3.349 13.266 1.00 2.33 H new ATOM 0 HD2 LYS B 48 18.382 4.057 12.836 1.00 3.72 H new ATOM 0 HD3 LYS B 48 19.355 5.258 13.661 1.00 3.72 H new ATOM 0 HE2 LYS B 48 19.198 5.460 10.670 1.00 4.90 H new ATOM 0 HE3 LYS B 48 17.748 5.853 11.573 1.00 4.90 H new ATOM 0 HZ1 LYS B 48 19.045 7.821 11.263 1.00 6.75 H new ATOM 0 HZ2 LYS B 48 19.094 7.416 12.911 1.00 6.75 H new ATOM 0 HZ3 LYS B 48 20.431 7.091 11.916 1.00 6.75 H new ATOM 2296 N GLU B 49 24.237 6.830 11.990 1.00 2.20 N ATOM 2297 CA GLU B 49 24.899 7.991 11.382 1.00 2.53 C ATOM 2298 C GLU B 49 25.122 7.830 9.863 1.00 2.23 C ATOM 2299 O GLU B 49 24.721 8.686 9.081 1.00 2.73 O ATOM 2300 CB GLU B 49 26.231 8.302 12.109 1.00 3.53 C ATOM 2301 CG GLU B 49 26.994 7.138 12.783 1.00 4.55 C ATOM 2302 CD GLU B 49 27.271 5.975 11.832 1.00 5.76 C ATOM 2303 OE1 GLU B 49 26.351 5.141 11.676 1.00 6.23 O ATOM 2304 OE2 GLU B 49 28.295 6.003 11.119 1.00 6.84 O ATOM 0 H GLU B 49 24.831 6.001 11.997 1.00 2.20 H new ATOM 0 HA GLU B 49 24.224 8.838 11.505 1.00 2.53 H new ATOM 0 HB2 GLU B 49 26.903 8.764 11.386 1.00 3.53 H new ATOM 0 HB3 GLU B 49 26.024 9.050 12.875 1.00 3.53 H new ATOM 0 HG2 GLU B 49 27.939 7.511 13.177 1.00 4.55 H new ATOM 0 HG3 GLU B 49 26.415 6.775 13.633 1.00 4.55 H new ATOM 2311 N SER B 50 25.758 6.748 9.420 1.00 2.81 N ATOM 2312 CA SER B 50 26.354 6.685 8.087 1.00 3.11 C ATOM 2313 C SER B 50 25.312 6.622 6.963 1.00 2.83 C ATOM 2314 O SER B 50 24.331 5.882 7.035 1.00 3.73 O ATOM 2315 CB SER B 50 27.334 5.507 7.990 1.00 3.76 C ATOM 2316 OG SER B 50 28.577 5.841 8.578 1.00 3.77 O ATOM 0 H SER B 50 25.875 5.897 9.969 1.00 2.81 H new ATOM 0 HA SER B 50 26.901 7.617 7.945 1.00 3.11 H new ATOM 0 HB2 SER B 50 26.912 4.635 8.489 1.00 3.76 H new ATOM 0 HB3 SER B 50 27.482 5.235 6.945 1.00 3.76 H new ATOM 0 HG SER B 50 28.425 6.243 9.459 1.00 3.77 H new ATOM 2322 N SER B 51 25.515 7.429 5.914 1.00 2.42 N ATOM 2323 CA SER B 51 24.679 7.536 4.699 1.00 2.39 C ATOM 2324 C SER B 51 23.327 8.222 4.961 1.00 2.18 C ATOM 2325 O SER B 51 22.858 8.987 4.125 1.00 2.41 O ATOM 2326 CB SER B 51 24.449 6.162 4.036 1.00 2.81 C ATOM 2327 OG SER B 51 25.663 5.450 3.841 1.00 3.16 O ATOM 0 H SER B 51 26.312 8.064 5.883 1.00 2.42 H new ATOM 0 HA SER B 51 25.244 8.167 4.013 1.00 2.39 H new ATOM 0 HB2 SER B 51 23.778 5.569 4.657 1.00 2.81 H new ATOM 0 HB3 SER B 51 23.954 6.302 3.075 1.00 2.81 H new ATOM 0 HG SER B 51 25.471 4.586 3.421 1.00 3.16 H new ATOM 2333 N ILE B 52 22.701 7.996 6.123 1.00 2.13 N ATOM 2334 CA ILE B 52 21.443 8.667 6.481 1.00 2.02 C ATOM 2335 C ILE B 52 21.654 10.140 6.836 1.00 1.67 C ATOM 2336 O ILE B 52 20.726 10.936 6.676 1.00 1.57 O ATOM 2337 CB ILE B 52 20.653 7.896 7.563 1.00 2.42 C ATOM 2338 CG1 ILE B 52 21.164 8.064 9.016 1.00 2.71 C ATOM 2339 CG2 ILE B 52 20.567 6.398 7.202 1.00 3.04 C ATOM 2340 CD1 ILE B 52 20.582 9.290 9.745 1.00 2.57 C ATOM 0 H ILE B 52 23.046 7.351 6.834 1.00 2.13 H new ATOM 0 HA ILE B 52 20.817 8.657 5.588 1.00 2.02 H new ATOM 0 HB ILE B 52 19.664 8.354 7.558 1.00 2.42 H new ATOM 0 HG12 ILE B 52 20.918 7.166 9.583 1.00 2.71 H new ATOM 0 HG13 ILE B 52 22.251 8.144 9.001 1.00 2.71 H new ATOM 0 HG21 ILE B 52 20.008 5.869 7.974 1.00 3.04 H new ATOM 0 HG22 ILE B 52 20.060 6.283 6.244 1.00 3.04 H new ATOM 0 HG23 ILE B 52 21.572 5.982 7.133 1.00 3.04 H new ATOM 0 HD11 ILE B 52 20.987 9.339 10.756 1.00 2.57 H new ATOM 0 HD12 ILE B 52 20.850 10.197 9.203 1.00 2.57 H new ATOM 0 HD13 ILE B 52 19.497 9.203 9.793 1.00 2.57 H new ATOM 2352 N ASP B 53 22.848 10.503 7.308 1.00 1.65 N ATOM 2353 CA ASP B 53 23.182 11.883 7.643 1.00 1.62 C ATOM 2354 C ASP B 53 23.038 12.831 6.438 1.00 1.20 C ATOM 2355 O ASP B 53 22.560 13.951 6.617 1.00 1.32 O ATOM 2356 CB ASP B 53 24.593 11.942 8.252 1.00 2.09 C ATOM 2357 CG ASP B 53 24.864 13.339 8.811 1.00 2.52 C ATOM 2358 OD1 ASP B 53 24.089 13.782 9.697 1.00 3.00 O ATOM 2359 OD2 ASP B 53 25.707 14.073 8.250 1.00 3.30 O ATOM 0 H ASP B 53 23.610 9.845 7.468 1.00 1.65 H new ATOM 0 HA ASP B 53 22.465 12.235 8.385 1.00 1.62 H new ATOM 0 HB2 ASP B 53 24.687 11.200 9.045 1.00 2.09 H new ATOM 0 HB3 ASP B 53 25.336 11.694 7.494 1.00 2.09 H new ATOM 2364 N ASP B 54 23.343 12.384 5.212 1.00 1.02 N ATOM 2365 CA ASP B 54 23.164 13.180 3.984 1.00 0.99 C ATOM 2366 C ASP B 54 21.686 13.373 3.601 1.00 0.85 C ATOM 2367 O ASP B 54 21.293 14.412 3.063 1.00 0.94 O ATOM 2368 CB ASP B 54 23.947 12.562 2.815 1.00 1.37 C ATOM 2369 CG ASP B 54 23.979 13.500 1.593 1.00 1.76 C ATOM 2370 OD1 ASP B 54 24.129 14.730 1.796 1.00 2.76 O ATOM 2371 OD2 ASP B 54 23.859 12.973 0.463 1.00 2.03 O ATOM 0 H ASP B 54 23.724 11.453 5.040 1.00 1.02 H new ATOM 0 HA ASP B 54 23.564 14.171 4.198 1.00 0.99 H new ATOM 0 HB2 ASP B 54 24.966 12.345 3.134 1.00 1.37 H new ATOM 0 HB3 ASP B 54 23.492 11.612 2.533 1.00 1.37 H new ATOM 2376 N LEU B 55 20.817 12.431 3.982 1.00 0.76 N ATOM 2377 CA LEU B 55 19.369 12.623 3.874 1.00 0.77 C ATOM 2378 C LEU B 55 18.945 13.814 4.754 1.00 0.94 C ATOM 2379 O LEU B 55 18.143 14.651 4.338 1.00 1.12 O ATOM 2380 CB LEU B 55 18.619 11.319 4.230 1.00 0.75 C ATOM 2381 CG LEU B 55 19.108 10.041 3.516 1.00 0.79 C ATOM 2382 CD1 LEU B 55 18.322 8.831 4.047 1.00 0.84 C ATOM 2383 CD2 LEU B 55 18.944 10.147 1.994 1.00 0.88 C ATOM 0 H LEU B 55 21.092 11.528 4.368 1.00 0.76 H new ATOM 0 HA LEU B 55 19.101 12.860 2.844 1.00 0.77 H new ATOM 0 HB2 LEU B 55 18.695 11.162 5.306 1.00 0.75 H new ATOM 0 HB3 LEU B 55 17.562 11.457 4.002 1.00 0.75 H new ATOM 0 HG LEU B 55 20.170 9.916 3.725 1.00 0.79 H new ATOM 0 HD11 LEU B 55 18.664 7.926 3.545 1.00 0.84 H new ATOM 0 HD12 LEU B 55 18.484 8.734 5.120 1.00 0.84 H new ATOM 0 HD13 LEU B 55 17.259 8.974 3.852 1.00 0.84 H new ATOM 0 HD21 LEU B 55 19.299 9.229 1.525 1.00 0.88 H new ATOM 0 HD22 LEU B 55 17.892 10.296 1.751 1.00 0.88 H new ATOM 0 HD23 LEU B 55 19.525 10.992 1.623 1.00 0.88 H new ATOM 2395 N MET B 56 19.565 13.978 5.928 1.00 1.04 N ATOM 2396 CA MET B 56 19.365 15.172 6.764 1.00 1.26 C ATOM 2397 C MET B 56 20.006 16.443 6.175 1.00 1.30 C ATOM 2398 O MET B 56 19.509 17.532 6.460 1.00 1.67 O ATOM 2399 CB MET B 56 19.785 14.899 8.216 1.00 1.40 C ATOM 2400 CG MET B 56 18.992 13.730 8.823 1.00 1.48 C ATOM 2401 SD MET B 56 18.264 14.065 10.448 1.00 2.60 S ATOM 2402 CE MET B 56 16.755 14.933 9.932 1.00 1.40 C ATOM 0 H MET B 56 20.213 13.297 6.324 1.00 1.04 H new ATOM 0 HA MET B 56 18.296 15.385 6.771 1.00 1.26 H new ATOM 0 HB2 MET B 56 20.851 14.674 8.251 1.00 1.40 H new ATOM 0 HB3 MET B 56 19.629 15.796 8.816 1.00 1.40 H new ATOM 0 HG2 MET B 56 18.194 13.454 8.133 1.00 1.48 H new ATOM 0 HG3 MET B 56 19.652 12.867 8.908 1.00 1.48 H new ATOM 0 HE1 MET B 56 16.179 15.216 10.813 1.00 1.40 H new ATOM 0 HE2 MET B 56 17.024 15.828 9.371 1.00 1.40 H new ATOM 0 HE3 MET B 56 16.155 14.276 9.302 1.00 1.40 H new ATOM 2412 N LYS B 57 21.032 16.350 5.309 1.00 1.02 N ATOM 2413 CA LYS B 57 21.461 17.489 4.467 1.00 0.98 C ATOM 2414 C LYS B 57 20.472 17.784 3.327 1.00 1.08 C ATOM 2415 O LYS B 57 20.277 18.945 2.984 1.00 1.36 O ATOM 2416 CB LYS B 57 22.865 17.297 3.860 1.00 1.07 C ATOM 2417 CG LYS B 57 24.059 17.668 4.754 1.00 1.30 C ATOM 2418 CD LYS B 57 24.302 16.667 5.883 1.00 3.09 C ATOM 2419 CE LYS B 57 23.672 17.097 7.209 1.00 3.95 C ATOM 2420 NZ LYS B 57 23.733 15.982 8.174 1.00 5.54 N ATOM 0 H LYS B 57 21.580 15.501 5.172 1.00 1.02 H new ATOM 0 HA LYS B 57 21.488 18.337 5.151 1.00 0.98 H new ATOM 0 HB2 LYS B 57 22.970 16.252 3.568 1.00 1.07 H new ATOM 0 HB3 LYS B 57 22.926 17.890 2.948 1.00 1.07 H new ATOM 0 HG2 LYS B 57 24.957 17.737 4.139 1.00 1.30 H new ATOM 0 HG3 LYS B 57 23.890 18.655 5.183 1.00 1.30 H new ATOM 0 HD2 LYS B 57 23.899 15.696 5.594 1.00 3.09 H new ATOM 0 HD3 LYS B 57 25.375 16.538 6.022 1.00 3.09 H new ATOM 0 HE2 LYS B 57 24.197 17.965 7.608 1.00 3.95 H new ATOM 0 HE3 LYS B 57 22.636 17.397 7.050 1.00 3.95 H new ATOM 0 HZ1 LYS B 57 23.414 16.312 9.107 1.00 5.54 H new ATOM 0 HZ2 LYS B 57 23.117 15.209 7.851 1.00 5.54 H new ATOM 0 HZ3 LYS B 57 24.712 15.638 8.245 1.00 5.54 H new ATOM 2434 N SER B 58 19.792 16.793 2.759 1.00 1.03 N ATOM 2435 CA SER B 58 18.720 17.023 1.768 1.00 1.34 C ATOM 2436 C SER B 58 17.559 17.857 2.363 1.00 1.59 C ATOM 2437 O SER B 58 17.037 18.771 1.717 1.00 2.01 O ATOM 2438 CB SER B 58 18.233 15.679 1.211 1.00 1.59 C ATOM 2439 OG SER B 58 17.261 15.855 0.194 1.00 2.98 O ATOM 0 H SER B 58 19.960 15.808 2.964 1.00 1.03 H new ATOM 0 HA SER B 58 19.127 17.610 0.945 1.00 1.34 H new ATOM 0 HB2 SER B 58 19.081 15.122 0.812 1.00 1.59 H new ATOM 0 HB3 SER B 58 17.811 15.082 2.019 1.00 1.59 H new ATOM 0 HG SER B 58 16.974 14.979 -0.139 1.00 2.98 H new ATOM 2445 N LEU B 59 17.236 17.620 3.642 1.00 1.55 N ATOM 2446 CA LEU B 59 16.311 18.430 4.460 1.00 2.03 C ATOM 2447 C LEU B 59 16.940 19.715 5.034 1.00 2.44 C ATOM 2448 O LEU B 59 16.344 20.400 5.863 1.00 3.85 O ATOM 2449 CB LEU B 59 15.763 17.564 5.601 1.00 2.01 C ATOM 2450 CG LEU B 59 15.063 16.267 5.171 1.00 1.68 C ATOM 2451 CD1 LEU B 59 14.563 15.583 6.446 1.00 1.88 C ATOM 2452 CD2 LEU B 59 13.904 16.515 4.198 1.00 1.88 C ATOM 0 H LEU B 59 17.624 16.830 4.158 1.00 1.55 H new ATOM 0 HA LEU B 59 15.512 18.760 3.796 1.00 2.03 H new ATOM 0 HB2 LEU B 59 16.587 17.308 6.267 1.00 2.01 H new ATOM 0 HB3 LEU B 59 15.059 18.161 6.181 1.00 2.01 H new ATOM 0 HG LEU B 59 15.769 15.636 4.632 1.00 1.68 H new ATOM 0 HD11 LEU B 59 14.057 14.653 6.186 1.00 1.88 H new ATOM 0 HD12 LEU B 59 15.409 15.365 7.098 1.00 1.88 H new ATOM 0 HD13 LEU B 59 13.866 16.243 6.964 1.00 1.88 H new ATOM 0 HD21 LEU B 59 13.446 15.564 3.928 1.00 1.88 H new ATOM 0 HD22 LEU B 59 13.160 17.154 4.674 1.00 1.88 H new ATOM 0 HD23 LEU B 59 14.281 17.004 3.300 1.00 1.88 H new ATOM 2464 N ASP B 60 18.184 20.008 4.668 1.00 1.46 N ATOM 2465 CA ASP B 60 18.894 21.240 5.002 1.00 1.59 C ATOM 2466 C ASP B 60 19.130 22.169 3.805 1.00 1.56 C ATOM 2467 O ASP B 60 19.080 23.389 3.955 1.00 1.87 O ATOM 2468 CB ASP B 60 20.212 20.865 5.684 1.00 1.53 C ATOM 2469 CG ASP B 60 20.812 22.080 6.365 1.00 1.93 C ATOM 2470 OD1 ASP B 60 20.211 22.484 7.383 1.00 2.23 O ATOM 2471 OD2 ASP B 60 21.835 22.585 5.834 1.00 3.02 O ATOM 0 H ASP B 60 18.748 19.369 4.108 1.00 1.46 H new ATOM 0 HA ASP B 60 18.261 21.817 5.676 1.00 1.59 H new ATOM 0 HB2 ASP B 60 20.040 20.076 6.416 1.00 1.53 H new ATOM 0 HB3 ASP B 60 20.911 20.469 4.948 1.00 1.53 H new ATOM 2476 N LYS B 61 19.358 21.629 2.606 1.00 1.46 N ATOM 2477 CA LYS B 61 19.775 22.429 1.449 1.00 1.70 C ATOM 2478 C LYS B 61 18.632 23.215 0.792 1.00 1.63 C ATOM 2479 O LYS B 61 18.845 24.337 0.350 1.00 2.08 O ATOM 2480 CB LYS B 61 20.480 21.514 0.431 1.00 1.89 C ATOM 2481 CG LYS B 61 21.819 20.852 0.832 1.00 2.93 C ATOM 2482 CD LYS B 61 22.519 21.242 2.152 1.00 4.48 C ATOM 2483 CE LYS B 61 23.035 22.691 2.221 1.00 5.78 C ATOM 2484 NZ LYS B 61 23.290 23.111 3.622 1.00 7.89 N ATOM 0 H LYS B 61 19.260 20.633 2.409 1.00 1.46 H new ATOM 0 HA LYS B 61 20.466 23.189 1.813 1.00 1.70 H new ATOM 0 HB2 LYS B 61 19.784 20.718 0.164 1.00 1.89 H new ATOM 0 HB3 LYS B 61 20.657 22.098 -0.472 1.00 1.89 H new ATOM 0 HG2 LYS B 61 21.650 19.776 0.863 1.00 2.93 H new ATOM 0 HG3 LYS B 61 22.526 21.040 0.024 1.00 2.93 H new ATOM 0 HD2 LYS B 61 21.822 21.083 2.974 1.00 4.48 H new ATOM 0 HD3 LYS B 61 23.360 20.567 2.311 1.00 4.48 H new ATOM 0 HE2 LYS B 61 23.953 22.779 1.641 1.00 5.78 H new ATOM 0 HE3 LYS B 61 22.305 23.361 1.766 1.00 5.78 H new ATOM 0 HZ1 LYS B 61 23.505 24.128 3.646 1.00 7.89 H new ATOM 0 HZ2 LYS B 61 22.446 22.922 4.200 1.00 7.89 H new ATOM 0 HZ3 LYS B 61 24.097 22.577 4.003 1.00 7.89 H new ATOM 2498 N ASN B 62 17.430 22.637 0.771 1.00 1.42 N ATOM 2499 CA ASN B 62 16.244 23.188 0.088 1.00 1.71 C ATOM 2500 C ASN B 62 15.051 23.454 1.037 1.00 1.88 C ATOM 2501 O ASN B 62 13.893 23.426 0.648 1.00 3.12 O ATOM 2502 CB ASN B 62 15.931 22.292 -1.122 1.00 1.94 C ATOM 2503 CG ASN B 62 16.942 22.585 -2.220 1.00 1.79 C ATOM 2504 OD1 ASN B 62 17.973 21.939 -2.335 1.00 2.11 O ATOM 2505 ND2 ASN B 62 16.707 23.632 -2.982 1.00 2.14 N ATOM 0 H ASN B 62 17.243 21.750 1.239 1.00 1.42 H new ATOM 0 HA ASN B 62 16.462 24.190 -0.282 1.00 1.71 H new ATOM 0 HB2 ASN B 62 15.977 21.241 -0.836 1.00 1.94 H new ATOM 0 HB3 ASN B 62 14.919 22.481 -1.480 1.00 1.94 H new ATOM 0 HD21 ASN B 62 17.391 23.916 -3.683 1.00 2.14 H new ATOM 0 HD22 ASN B 62 15.841 24.159 -2.872 1.00 2.14 H new ATOM 2512 N SER B 63 15.372 23.713 2.304 1.00 1.30 N ATOM 2513 CA SER B 63 14.535 23.920 3.495 1.00 1.33 C ATOM 2514 C SER B 63 13.379 24.929 3.408 1.00 1.06 C ATOM 2515 O SER B 63 12.413 24.765 4.146 1.00 1.34 O ATOM 2516 CB SER B 63 15.455 24.388 4.636 1.00 1.79 C ATOM 2517 OG SER B 63 16.493 23.457 4.897 1.00 2.70 O ATOM 0 H SER B 63 16.357 23.794 2.556 1.00 1.30 H new ATOM 0 HA SER B 63 14.047 22.956 3.642 1.00 1.33 H new ATOM 0 HB2 SER B 63 15.890 25.353 4.378 1.00 1.79 H new ATOM 0 HB3 SER B 63 14.865 24.536 5.540 1.00 1.79 H new ATOM 0 HG SER B 63 17.303 23.726 4.415 1.00 2.70 H new ATOM 2523 N ASP B 64 13.446 25.938 2.538 1.00 0.89 N ATOM 2524 CA ASP B 64 12.528 27.104 2.550 1.00 1.08 C ATOM 2525 C ASP B 64 11.417 26.929 1.498 1.00 1.09 C ATOM 2526 O ASP B 64 10.666 27.837 1.164 1.00 1.68 O ATOM 2527 CB ASP B 64 13.350 28.395 2.330 1.00 1.48 C ATOM 2528 CG ASP B 64 12.964 29.552 3.272 1.00 2.67 C ATOM 2529 OD1 ASP B 64 13.379 29.473 4.451 1.00 3.24 O ATOM 2530 OD2 ASP B 64 12.338 30.525 2.794 1.00 4.04 O ATOM 0 H ASP B 64 14.142 25.980 1.794 1.00 0.89 H new ATOM 0 HA ASP B 64 12.031 27.179 3.517 1.00 1.08 H new ATOM 0 HB2 ASP B 64 14.407 28.168 2.465 1.00 1.48 H new ATOM 0 HB3 ASP B 64 13.224 28.723 1.298 1.00 1.48 H new ATOM 2535 N GLN B 65 11.366 25.724 0.931 1.00 0.86 N ATOM 2536 CA GLN B 65 10.417 25.309 -0.090 1.00 0.87 C ATOM 2537 C GLN B 65 9.385 24.335 0.467 1.00 0.75 C ATOM 2538 O GLN B 65 9.619 23.707 1.501 1.00 0.82 O ATOM 2539 CB GLN B 65 11.206 24.581 -1.168 1.00 0.99 C ATOM 2540 CG GLN B 65 12.107 25.509 -1.988 1.00 1.75 C ATOM 2541 CD GLN B 65 12.829 24.719 -3.065 1.00 2.19 C ATOM 2542 OE1 GLN B 65 14.041 24.555 -3.039 1.00 2.74 O ATOM 2543 NE2 GLN B 65 12.125 24.159 -4.028 1.00 2.93 N ATOM 0 H GLN B 65 12.016 24.980 1.185 1.00 0.86 H new ATOM 0 HA GLN B 65 9.895 26.188 -0.469 1.00 0.87 H new ATOM 0 HB2 GLN B 65 11.819 23.809 -0.702 1.00 0.99 H new ATOM 0 HB3 GLN B 65 10.511 24.075 -1.838 1.00 0.99 H new ATOM 0 HG2 GLN B 65 11.510 26.298 -2.444 1.00 1.75 H new ATOM 0 HG3 GLN B 65 12.832 25.995 -1.335 1.00 1.75 H new ATOM 0 HE21 GLN B 65 11.114 24.288 -4.061 1.00 2.93 H new ATOM 0 HE22 GLN B 65 12.591 23.597 -4.740 1.00 2.93 H new ATOM 2552 N GLU B 66 8.281 24.147 -0.259 1.00 0.75 N ATOM 2553 CA GLU B 66 7.257 23.185 0.109 1.00 0.74 C ATOM 2554 C GLU B 66 7.643 21.737 -0.226 1.00 0.73 C ATOM 2555 O GLU B 66 8.365 21.437 -1.182 1.00 0.90 O ATOM 2556 CB GLU B 66 5.875 23.509 -0.508 1.00 0.88 C ATOM 2557 CG GLU B 66 5.482 24.991 -0.622 1.00 1.41 C ATOM 2558 CD GLU B 66 5.876 25.600 -1.971 1.00 2.76 C ATOM 2559 OE1 GLU B 66 7.092 25.583 -2.281 1.00 3.99 O ATOM 2560 OE2 GLU B 66 4.964 26.077 -2.683 1.00 3.53 O ATOM 0 H GLU B 66 8.078 24.660 -1.117 1.00 0.75 H new ATOM 0 HA GLU B 66 7.178 23.274 1.192 1.00 0.74 H new ATOM 0 HB2 GLU B 66 5.841 23.074 -1.507 1.00 0.88 H new ATOM 0 HB3 GLU B 66 5.114 23.003 0.086 1.00 0.88 H new ATOM 0 HG2 GLU B 66 4.405 25.090 -0.483 1.00 1.41 H new ATOM 0 HG3 GLU B 66 5.960 25.553 0.180 1.00 1.41 H new ATOM 2567 N ILE B 67 7.100 20.820 0.565 1.00 0.71 N ATOM 2568 CA ILE B 67 7.051 19.380 0.307 1.00 0.75 C ATOM 2569 C ILE B 67 5.671 18.845 0.658 1.00 0.75 C ATOM 2570 O ILE B 67 4.999 19.388 1.529 1.00 0.82 O ATOM 2571 CB ILE B 67 8.075 18.585 1.148 1.00 0.81 C ATOM 2572 CG1 ILE B 67 8.436 19.306 2.452 1.00 1.86 C ATOM 2573 CG2 ILE B 67 9.327 18.227 0.351 1.00 1.96 C ATOM 2574 CD1 ILE B 67 9.201 18.412 3.406 1.00 2.12 C ATOM 0 H ILE B 67 6.658 21.070 1.450 1.00 0.71 H new ATOM 0 HA ILE B 67 7.285 19.249 -0.749 1.00 0.75 H new ATOM 0 HB ILE B 67 7.585 17.649 1.417 1.00 0.81 H new ATOM 0 HG12 ILE B 67 9.035 20.188 2.224 1.00 1.86 H new ATOM 0 HG13 ILE B 67 7.524 19.656 2.936 1.00 1.86 H new ATOM 0 HG21 ILE B 67 10.015 17.669 0.986 1.00 1.96 H new ATOM 0 HG22 ILE B 67 9.049 17.616 -0.508 1.00 1.96 H new ATOM 0 HG23 ILE B 67 9.812 19.140 0.005 1.00 1.96 H new ATOM 0 HD11 ILE B 67 9.435 18.966 4.315 1.00 2.12 H new ATOM 0 HD12 ILE B 67 8.593 17.543 3.657 1.00 2.12 H new ATOM 0 HD13 ILE B 67 10.127 18.083 2.933 1.00 2.12 H new ATOM 2586 N ASP B 68 5.306 17.729 0.035 1.00 0.79 N ATOM 2587 CA ASP B 68 4.148 16.924 0.395 1.00 0.90 C ATOM 2588 C ASP B 68 4.509 15.689 1.247 1.00 0.92 C ATOM 2589 O ASP B 68 5.673 15.385 1.538 1.00 1.20 O ATOM 2590 CB ASP B 68 3.415 16.520 -0.899 1.00 1.11 C ATOM 2591 CG ASP B 68 4.044 15.292 -1.563 1.00 1.17 C ATOM 2592 OD1 ASP B 68 5.273 15.302 -1.808 1.00 2.27 O ATOM 2593 OD2 ASP B 68 3.315 14.288 -1.714 1.00 1.71 O ATOM 0 H ASP B 68 5.824 17.350 -0.758 1.00 0.79 H new ATOM 0 HA ASP B 68 3.494 17.525 1.027 1.00 0.90 H new ATOM 0 HB2 ASP B 68 2.369 16.312 -0.672 1.00 1.11 H new ATOM 0 HB3 ASP B 68 3.429 17.356 -1.598 1.00 1.11 H new ATOM 2598 N PHE B 69 3.466 14.930 1.582 1.00 0.81 N ATOM 2599 CA PHE B 69 3.504 13.635 2.269 1.00 0.80 C ATOM 2600 C PHE B 69 4.428 12.573 1.628 1.00 0.80 C ATOM 2601 O PHE B 69 4.779 11.591 2.288 1.00 0.78 O ATOM 2602 CB PHE B 69 2.051 13.131 2.330 1.00 0.87 C ATOM 2603 CG PHE B 69 1.648 12.410 3.605 1.00 1.52 C ATOM 2604 CD1 PHE B 69 1.992 11.059 3.819 1.00 2.75 C ATOM 2605 CD2 PHE B 69 0.868 13.087 4.560 1.00 2.50 C ATOM 2606 CE1 PHE B 69 1.550 10.392 4.977 1.00 3.69 C ATOM 2607 CE2 PHE B 69 0.420 12.417 5.709 1.00 3.36 C ATOM 2608 CZ PHE B 69 0.759 11.071 5.918 1.00 3.66 C ATOM 0 H PHE B 69 2.511 15.219 1.368 1.00 0.81 H new ATOM 0 HA PHE B 69 3.940 13.788 3.256 1.00 0.80 H new ATOM 0 HB2 PHE B 69 1.386 13.984 2.193 1.00 0.87 H new ATOM 0 HB3 PHE B 69 1.885 12.459 1.488 1.00 0.87 H new ATOM 0 HD1 PHE B 69 2.596 10.535 3.093 1.00 2.75 H new ATOM 0 HD2 PHE B 69 0.613 14.126 4.409 1.00 2.50 H new ATOM 0 HE1 PHE B 69 1.819 9.359 5.142 1.00 3.69 H new ATOM 0 HE2 PHE B 69 -0.187 12.938 6.434 1.00 3.36 H new ATOM 0 HZ PHE B 69 0.412 10.558 6.802 1.00 3.66 H new ATOM 2618 N LYS B 70 4.840 12.702 0.360 1.00 0.87 N ATOM 2619 CA LYS B 70 5.568 11.654 -0.369 1.00 0.87 C ATOM 2620 C LYS B 70 7.024 11.621 0.057 1.00 0.87 C ATOM 2621 O LYS B 70 7.581 10.554 0.307 1.00 0.81 O ATOM 2622 CB LYS B 70 5.476 11.974 -1.859 1.00 1.01 C ATOM 2623 CG LYS B 70 6.028 10.913 -2.831 1.00 1.68 C ATOM 2624 CD LYS B 70 7.304 11.346 -3.577 1.00 3.35 C ATOM 2625 CE LYS B 70 8.576 11.008 -2.789 1.00 5.18 C ATOM 2626 NZ LYS B 70 9.798 11.561 -3.412 1.00 6.54 N ATOM 0 H LYS B 70 4.676 13.543 -0.193 1.00 0.87 H new ATOM 0 HA LYS B 70 5.131 10.679 -0.154 1.00 0.87 H new ATOM 0 HB2 LYS B 70 4.429 12.149 -2.105 1.00 1.01 H new ATOM 0 HB3 LYS B 70 6.006 12.909 -2.039 1.00 1.01 H new ATOM 0 HG2 LYS B 70 6.238 10.000 -2.274 1.00 1.68 H new ATOM 0 HG3 LYS B 70 5.257 10.670 -3.562 1.00 1.68 H new ATOM 0 HD2 LYS B 70 7.339 10.855 -4.549 1.00 3.35 H new ATOM 0 HD3 LYS B 70 7.268 12.419 -3.763 1.00 3.35 H new ATOM 0 HE2 LYS B 70 8.483 11.395 -1.774 1.00 5.18 H new ATOM 0 HE3 LYS B 70 8.672 9.925 -2.709 1.00 5.18 H new ATOM 0 HZ1 LYS B 70 10.581 10.886 -3.299 1.00 6.54 H new ATOM 0 HZ2 LYS B 70 9.627 11.727 -4.424 1.00 6.54 H new ATOM 0 HZ3 LYS B 70 10.046 12.460 -2.951 1.00 6.54 H new ATOM 2640 N GLU B 71 7.649 12.795 0.115 1.00 0.97 N ATOM 2641 CA GLU B 71 9.013 12.953 0.614 1.00 1.02 C ATOM 2642 C GLU B 71 9.092 12.421 2.036 1.00 0.95 C ATOM 2643 O GLU B 71 9.985 11.653 2.368 1.00 0.97 O ATOM 2644 CB GLU B 71 9.391 14.431 0.538 1.00 1.18 C ATOM 2645 CG GLU B 71 9.631 14.789 -0.931 1.00 1.30 C ATOM 2646 CD GLU B 71 11.042 14.392 -1.377 1.00 1.92 C ATOM 2647 OE1 GLU B 71 12.038 15.004 -0.921 1.00 2.89 O ATOM 2648 OE2 GLU B 71 11.103 13.438 -2.183 1.00 2.73 O ATOM 0 H GLU B 71 7.220 13.670 -0.185 1.00 0.97 H new ATOM 0 HA GLU B 71 9.719 12.385 0.008 1.00 1.02 H new ATOM 0 HB2 GLU B 71 8.595 15.049 0.955 1.00 1.18 H new ATOM 0 HB3 GLU B 71 10.287 14.625 1.128 1.00 1.18 H new ATOM 0 HG2 GLU B 71 8.894 14.284 -1.556 1.00 1.30 H new ATOM 0 HG3 GLU B 71 9.490 15.860 -1.074 1.00 1.30 H new ATOM 2655 N TYR B 72 8.054 12.691 2.817 1.00 0.90 N ATOM 2656 CA TYR B 72 7.932 12.168 4.178 1.00 0.86 C ATOM 2657 C TYR B 72 7.818 10.630 4.201 1.00 0.73 C ATOM 2658 O TYR B 72 8.558 9.961 4.925 1.00 0.77 O ATOM 2659 CB TYR B 72 6.745 12.889 4.820 1.00 0.87 C ATOM 2660 CG TYR B 72 6.264 12.353 6.159 1.00 0.89 C ATOM 2661 CD1 TYR B 72 7.105 12.389 7.289 1.00 1.93 C ATOM 2662 CD2 TYR B 72 4.945 11.874 6.299 1.00 1.55 C ATOM 2663 CE1 TYR B 72 6.614 12.041 8.560 1.00 1.98 C ATOM 2664 CE2 TYR B 72 4.445 11.522 7.568 1.00 1.58 C ATOM 2665 CZ TYR B 72 5.277 11.624 8.707 1.00 1.05 C ATOM 2666 OH TYR B 72 4.810 11.328 9.946 1.00 1.17 O ATOM 0 H TYR B 72 7.272 13.278 2.528 1.00 0.90 H new ATOM 0 HA TYR B 72 8.832 12.366 4.760 1.00 0.86 H new ATOM 0 HB2 TYR B 72 7.013 13.937 4.950 1.00 0.87 H new ATOM 0 HB3 TYR B 72 5.909 12.858 4.121 1.00 0.87 H new ATOM 0 HD1 TYR B 72 8.137 12.687 7.178 1.00 1.93 H new ATOM 0 HD2 TYR B 72 4.314 11.776 5.428 1.00 1.55 H new ATOM 0 HE1 TYR B 72 7.262 12.094 9.423 1.00 1.98 H new ATOM 0 HE2 TYR B 72 3.428 11.175 7.671 1.00 1.58 H new ATOM 0 HH TYR B 72 3.870 11.057 9.885 1.00 1.17 H new ATOM 2676 N SER B 73 6.957 10.033 3.378 1.00 0.64 N ATOM 2677 CA SER B 73 6.760 8.579 3.358 1.00 0.63 C ATOM 2678 C SER B 73 7.953 7.809 2.770 1.00 0.62 C ATOM 2679 O SER B 73 8.302 6.759 3.322 1.00 0.65 O ATOM 2680 CB SER B 73 5.459 8.223 2.630 1.00 0.68 C ATOM 2681 OG SER B 73 5.530 8.481 1.245 1.00 1.28 O ATOM 0 H SER B 73 6.377 10.538 2.708 1.00 0.64 H new ATOM 0 HA SER B 73 6.684 8.262 4.398 1.00 0.63 H new ATOM 0 HB2 SER B 73 5.234 7.169 2.789 1.00 0.68 H new ATOM 0 HB3 SER B 73 4.637 8.794 3.061 1.00 0.68 H new ATOM 0 HG SER B 73 6.218 9.158 1.073 1.00 1.28 H new ATOM 2687 N VAL B 74 8.618 8.317 1.719 1.00 0.65 N ATOM 2688 CA VAL B 74 9.814 7.667 1.157 1.00 0.65 C ATOM 2689 C VAL B 74 11.055 7.852 2.025 1.00 0.64 C ATOM 2690 O VAL B 74 11.859 6.934 2.086 1.00 0.66 O ATOM 2691 CB VAL B 74 10.150 8.051 -0.298 1.00 0.68 C ATOM 2692 CG1 VAL B 74 8.971 7.763 -1.230 1.00 0.76 C ATOM 2693 CG2 VAL B 74 10.696 9.469 -0.510 1.00 0.67 C ATOM 0 H VAL B 74 8.347 9.176 1.241 1.00 0.65 H new ATOM 0 HA VAL B 74 9.530 6.615 1.148 1.00 0.65 H new ATOM 0 HB VAL B 74 10.989 7.405 -0.558 1.00 0.68 H new ATOM 0 HG11 VAL B 74 9.236 8.043 -2.249 1.00 0.76 H new ATOM 0 HG12 VAL B 74 8.732 6.700 -1.197 1.00 0.76 H new ATOM 0 HG13 VAL B 74 8.104 8.340 -0.909 1.00 0.76 H new ATOM 0 HG21 VAL B 74 10.896 9.627 -1.570 1.00 0.67 H new ATOM 0 HG22 VAL B 74 9.961 10.197 -0.167 1.00 0.67 H new ATOM 0 HG23 VAL B 74 11.619 9.592 0.056 1.00 0.67 H new ATOM 2703 N PHE B 75 11.205 8.985 2.717 1.00 0.64 N ATOM 2704 CA PHE B 75 12.303 9.213 3.661 1.00 0.67 C ATOM 2705 C PHE B 75 12.153 8.302 4.877 1.00 0.67 C ATOM 2706 O PHE B 75 13.123 7.663 5.271 1.00 0.70 O ATOM 2707 CB PHE B 75 12.295 10.698 4.054 1.00 0.70 C ATOM 2708 CG PHE B 75 13.522 11.207 4.779 1.00 0.74 C ATOM 2709 CD1 PHE B 75 13.820 10.813 6.094 1.00 2.39 C ATOM 2710 CD2 PHE B 75 14.343 12.147 4.130 1.00 1.61 C ATOM 2711 CE1 PHE B 75 14.940 11.354 6.759 1.00 2.49 C ATOM 2712 CE2 PHE B 75 15.457 12.674 4.789 1.00 1.56 C ATOM 2713 CZ PHE B 75 15.766 12.277 6.101 1.00 0.94 C ATOM 0 H PHE B 75 10.564 9.775 2.638 1.00 0.64 H new ATOM 0 HA PHE B 75 13.262 8.972 3.202 1.00 0.67 H new ATOM 0 HB2 PHE B 75 12.162 11.291 3.149 1.00 0.70 H new ATOM 0 HB3 PHE B 75 11.425 10.880 4.685 1.00 0.70 H new ATOM 0 HD1 PHE B 75 13.190 10.094 6.597 1.00 2.39 H new ATOM 0 HD2 PHE B 75 14.112 12.461 3.123 1.00 1.61 H new ATOM 0 HE1 PHE B 75 15.161 11.058 7.774 1.00 2.49 H new ATOM 0 HE2 PHE B 75 16.086 13.393 4.285 1.00 1.56 H new ATOM 0 HZ PHE B 75 16.635 12.680 6.600 1.00 0.94 H new ATOM 2723 N LEU B 76 10.948 8.187 5.450 1.00 0.64 N ATOM 2724 CA LEU B 76 10.677 7.233 6.532 1.00 0.66 C ATOM 2725 C LEU B 76 10.963 5.792 6.089 1.00 0.65 C ATOM 2726 O LEU B 76 11.692 5.075 6.776 1.00 0.67 O ATOM 2727 CB LEU B 76 9.217 7.388 6.980 1.00 0.64 C ATOM 2728 CG LEU B 76 8.924 8.653 7.810 1.00 0.63 C ATOM 2729 CD1 LEU B 76 7.406 8.730 8.007 1.00 1.11 C ATOM 2730 CD2 LEU B 76 9.663 8.633 9.156 1.00 1.16 C ATOM 0 H LEU B 76 10.140 8.748 5.179 1.00 0.64 H new ATOM 0 HA LEU B 76 11.340 7.448 7.370 1.00 0.66 H new ATOM 0 HB2 LEU B 76 8.580 7.396 6.096 1.00 0.64 H new ATOM 0 HB3 LEU B 76 8.937 6.513 7.567 1.00 0.64 H new ATOM 0 HG LEU B 76 9.284 9.537 7.284 1.00 0.63 H new ATOM 0 HD11 LEU B 76 7.160 9.616 8.592 1.00 1.11 H new ATOM 0 HD12 LEU B 76 6.916 8.789 7.035 1.00 1.11 H new ATOM 0 HD13 LEU B 76 7.062 7.840 8.534 1.00 1.11 H new ATOM 0 HD21 LEU B 76 9.431 9.541 9.712 1.00 1.16 H new ATOM 0 HD22 LEU B 76 9.346 7.764 9.732 1.00 1.16 H new ATOM 0 HD23 LEU B 76 10.737 8.580 8.980 1.00 1.16 H new ATOM 2742 N THR B 77 10.461 5.414 4.903 1.00 0.64 N ATOM 2743 CA THR B 77 10.682 4.099 4.280 1.00 0.65 C ATOM 2744 C THR B 77 12.166 3.811 4.122 1.00 0.72 C ATOM 2745 O THR B 77 12.652 2.809 4.634 1.00 0.78 O ATOM 2746 CB THR B 77 9.973 4.056 2.926 1.00 0.60 C ATOM 2747 OG1 THR B 77 8.599 4.053 3.185 1.00 0.65 O ATOM 2748 CG2 THR B 77 10.355 2.847 2.076 1.00 0.74 C ATOM 0 H THR B 77 9.876 6.029 4.337 1.00 0.64 H new ATOM 0 HA THR B 77 10.268 3.326 4.927 1.00 0.65 H new ATOM 0 HB THR B 77 10.278 4.925 2.343 1.00 0.60 H new ATOM 0 HG1 THR B 77 8.299 4.968 3.369 1.00 0.65 H new ATOM 0 HG21 THR B 77 9.814 2.882 1.130 1.00 0.74 H new ATOM 0 HG22 THR B 77 11.427 2.863 1.882 1.00 0.74 H new ATOM 0 HG23 THR B 77 10.096 1.932 2.608 1.00 0.74 H new ATOM 2756 N MET B 78 12.883 4.723 3.466 1.00 0.73 N ATOM 2757 CA MET B 78 14.321 4.663 3.211 1.00 0.78 C ATOM 2758 C MET B 78 15.112 4.560 4.511 1.00 0.82 C ATOM 2759 O MET B 78 16.008 3.726 4.608 1.00 0.92 O ATOM 2760 CB MET B 78 14.697 5.919 2.407 1.00 0.76 C ATOM 2761 CG MET B 78 16.197 6.083 2.155 1.00 0.96 C ATOM 2762 SD MET B 78 16.633 7.254 0.839 1.00 1.17 S ATOM 2763 CE MET B 78 15.544 8.654 1.216 1.00 1.24 C ATOM 0 H MET B 78 12.455 5.564 3.079 1.00 0.73 H new ATOM 0 HA MET B 78 14.571 3.769 2.640 1.00 0.78 H new ATOM 0 HB2 MET B 78 14.181 5.889 1.447 1.00 0.76 H new ATOM 0 HB3 MET B 78 14.332 6.798 2.938 1.00 0.76 H new ATOM 0 HG2 MET B 78 16.672 6.408 3.081 1.00 0.96 H new ATOM 0 HG3 MET B 78 16.617 5.108 1.906 1.00 0.96 H new ATOM 0 HE1 MET B 78 15.912 9.547 0.712 1.00 1.24 H new ATOM 0 HE2 MET B 78 14.534 8.433 0.871 1.00 1.24 H new ATOM 0 HE3 MET B 78 15.530 8.825 2.292 1.00 1.24 H new ATOM 2773 N LEU B 79 14.766 5.366 5.519 1.00 0.76 N ATOM 2774 CA LEU B 79 15.468 5.381 6.795 1.00 0.77 C ATOM 2775 C LEU B 79 15.253 4.084 7.581 1.00 0.76 C ATOM 2776 O LEU B 79 16.216 3.569 8.131 1.00 0.79 O ATOM 2777 CB LEU B 79 15.058 6.639 7.581 1.00 0.80 C ATOM 2778 CG LEU B 79 15.886 6.936 8.846 1.00 1.10 C ATOM 2779 CD1 LEU B 79 17.390 6.775 8.601 1.00 1.33 C ATOM 2780 CD2 LEU B 79 15.617 8.382 9.287 1.00 1.78 C ATOM 0 H LEU B 79 13.989 6.025 5.468 1.00 0.76 H new ATOM 0 HA LEU B 79 16.542 5.429 6.616 1.00 0.77 H new ATOM 0 HB2 LEU B 79 15.125 7.499 6.915 1.00 0.80 H new ATOM 0 HB3 LEU B 79 14.011 6.540 7.869 1.00 0.80 H new ATOM 0 HG LEU B 79 15.588 6.223 9.614 1.00 1.10 H new ATOM 0 HD11 LEU B 79 17.934 6.994 9.520 1.00 1.33 H new ATOM 0 HD12 LEU B 79 17.601 5.752 8.290 1.00 1.33 H new ATOM 0 HD13 LEU B 79 17.707 7.464 7.818 1.00 1.33 H new ATOM 0 HD21 LEU B 79 16.198 8.603 10.182 1.00 1.78 H new ATOM 0 HD22 LEU B 79 15.906 9.066 8.489 1.00 1.78 H new ATOM 0 HD23 LEU B 79 14.556 8.505 9.504 1.00 1.78 H new ATOM 2792 N CYS B 80 14.044 3.518 7.573 1.00 0.76 N ATOM 2793 CA CYS B 80 13.786 2.180 8.121 1.00 0.81 C ATOM 2794 C CYS B 80 14.568 1.083 7.365 1.00 0.83 C ATOM 2795 O CYS B 80 15.160 0.199 7.992 1.00 0.93 O ATOM 2796 CB CYS B 80 12.269 1.946 8.066 1.00 0.84 C ATOM 2797 SG CYS B 80 11.890 0.412 8.955 1.00 1.03 S ATOM 0 H CYS B 80 13.216 3.972 7.187 1.00 0.76 H new ATOM 0 HA CYS B 80 14.137 2.124 9.152 1.00 0.81 H new ATOM 0 HB2 CYS B 80 11.740 2.786 8.517 1.00 0.84 H new ATOM 0 HB3 CYS B 80 11.934 1.877 7.031 1.00 0.84 H new ATOM 0 HG CYS B 80 10.973 -0.247 8.311 1.00 1.03 H new ATOM 2803 N MET B 81 14.624 1.175 6.033 1.00 0.83 N ATOM 2804 CA MET B 81 15.345 0.245 5.157 1.00 0.93 C ATOM 2805 C MET B 81 16.867 0.309 5.353 1.00 1.00 C ATOM 2806 O MET B 81 17.536 -0.712 5.222 1.00 1.17 O ATOM 2807 CB MET B 81 14.926 0.491 3.703 1.00 0.97 C ATOM 2808 CG MET B 81 14.890 -0.836 2.935 1.00 1.83 C ATOM 2809 SD MET B 81 14.835 -0.619 1.144 1.00 2.44 S ATOM 2810 CE MET B 81 16.586 -0.232 0.941 1.00 2.92 C ATOM 0 H MET B 81 14.155 1.921 5.519 1.00 0.83 H new ATOM 0 HA MET B 81 15.069 -0.774 5.430 1.00 0.93 H new ATOM 0 HB2 MET B 81 13.944 0.964 3.674 1.00 0.97 H new ATOM 0 HB3 MET B 81 15.625 1.178 3.226 1.00 0.97 H new ATOM 0 HG2 MET B 81 15.770 -1.424 3.197 1.00 1.83 H new ATOM 0 HG3 MET B 81 14.018 -1.409 3.252 1.00 1.83 H new ATOM 0 HE1 MET B 81 16.691 0.695 0.377 1.00 2.92 H new ATOM 0 HE2 MET B 81 17.049 -0.115 1.921 1.00 2.92 H new ATOM 0 HE3 MET B 81 17.078 -1.042 0.402 1.00 2.92 H new ATOM 2820 N ALA B 82 17.401 1.485 5.713 1.00 0.99 N ATOM 2821 CA ALA B 82 18.833 1.767 5.850 1.00 1.13 C ATOM 2822 C ALA B 82 19.575 0.901 6.891 1.00 1.37 C ATOM 2823 O ALA B 82 20.803 0.880 6.896 1.00 1.69 O ATOM 2824 CB ALA B 82 19.007 3.262 6.149 1.00 1.11 C ATOM 0 H ALA B 82 16.821 2.297 5.925 1.00 0.99 H new ATOM 0 HA ALA B 82 19.301 1.497 4.903 1.00 1.13 H new ATOM 0 HB1 ALA B 82 20.067 3.491 6.254 1.00 1.11 H new ATOM 0 HB2 ALA B 82 18.589 3.848 5.330 1.00 1.11 H new ATOM 0 HB3 ALA B 82 18.488 3.511 7.075 1.00 1.11 H new ATOM 2830 N TYR B 83 18.852 0.201 7.768 1.00 1.37 N ATOM 2831 CA TYR B 83 19.415 -0.721 8.764 1.00 1.70 C ATOM 2832 C TYR B 83 18.525 -1.961 8.978 1.00 1.83 C ATOM 2833 O TYR B 83 18.696 -2.693 9.952 1.00 2.20 O ATOM 2834 CB TYR B 83 19.708 0.040 10.068 1.00 1.88 C ATOM 2835 CG TYR B 83 18.517 0.791 10.629 1.00 1.83 C ATOM 2836 CD1 TYR B 83 17.577 0.139 11.450 1.00 2.72 C ATOM 2837 CD2 TYR B 83 18.337 2.149 10.303 1.00 2.12 C ATOM 2838 CE1 TYR B 83 16.436 0.825 11.899 1.00 2.75 C ATOM 2839 CE2 TYR B 83 17.232 2.855 10.788 1.00 2.17 C ATOM 2840 CZ TYR B 83 16.257 2.180 11.554 1.00 1.92 C ATOM 2841 OH TYR B 83 15.144 2.836 11.956 1.00 2.04 O ATOM 0 H TYR B 83 17.834 0.259 7.808 1.00 1.37 H new ATOM 0 HA TYR B 83 20.360 -1.111 8.385 1.00 1.70 H new ATOM 0 HB2 TYR B 83 20.063 -0.668 10.817 1.00 1.88 H new ATOM 0 HB3 TYR B 83 20.518 0.747 9.889 1.00 1.88 H new ATOM 0 HD1 TYR B 83 17.733 -0.891 11.735 1.00 2.72 H new ATOM 0 HD2 TYR B 83 19.058 2.649 9.673 1.00 2.12 H new ATOM 0 HE1 TYR B 83 15.700 0.317 12.505 1.00 2.75 H new ATOM 0 HE2 TYR B 83 17.125 3.909 10.578 1.00 2.17 H new ATOM 0 HH TYR B 83 14.399 2.611 11.360 1.00 2.04 H new ATOM 2851 N ASN B 84 17.594 -2.234 8.055 1.00 1.77 N ATOM 2852 CA ASN B 84 16.653 -3.366 8.142 1.00 1.92 C ATOM 2853 C ASN B 84 17.284 -4.728 7.842 1.00 1.88 C ATOM 2854 O ASN B 84 16.587 -5.731 7.703 1.00 2.07 O ATOM 2855 CB ASN B 84 15.391 -3.096 7.297 1.00 2.26 C ATOM 2856 CG ASN B 84 14.105 -3.246 8.104 1.00 2.62 C ATOM 2857 OD1 ASN B 84 13.378 -4.221 7.994 1.00 3.99 O ATOM 2858 ND2 ASN B 84 13.792 -2.270 8.934 1.00 2.46 N ATOM 0 H ASN B 84 17.469 -1.670 7.215 1.00 1.77 H new ATOM 0 HA ASN B 84 16.351 -3.435 9.187 1.00 1.92 H new ATOM 0 HB2 ASN B 84 15.442 -2.088 6.885 1.00 2.26 H new ATOM 0 HB3 ASN B 84 15.369 -3.785 6.453 1.00 2.26 H new ATOM 0 HD21 ASN B 84 12.938 -2.327 9.489 1.00 2.46 H new ATOM 0 HD22 ASN B 84 14.404 -1.459 9.021 1.00 2.46 H new ATOM 2865 N ASP B 85 18.612 -4.795 7.794 1.00 2.36 N ATOM 2866 CA ASP B 85 19.337 -6.037 7.600 1.00 2.56 C ATOM 2867 C ASP B 85 19.166 -7.021 8.771 1.00 2.59 C ATOM 2868 O ASP B 85 19.186 -8.234 8.570 1.00 2.75 O ATOM 2869 CB ASP B 85 20.807 -5.690 7.338 1.00 3.52 C ATOM 2870 CG ASP B 85 21.587 -6.885 6.803 1.00 5.11 C ATOM 2871 OD1 ASP B 85 21.186 -7.451 5.767 1.00 6.46 O ATOM 2872 OD2 ASP B 85 22.642 -7.232 7.377 1.00 5.77 O ATOM 0 H ASP B 85 19.216 -3.979 7.890 1.00 2.36 H new ATOM 0 HA ASP B 85 18.923 -6.563 6.740 1.00 2.56 H new ATOM 0 HB2 ASP B 85 20.864 -4.870 6.623 1.00 3.52 H new ATOM 0 HB3 ASP B 85 21.268 -5.340 8.262 1.00 3.52 H new ATOM 2877 N PHE B 86 18.874 -6.510 9.973 1.00 2.86 N ATOM 2878 CA PHE B 86 18.504 -7.316 11.141 1.00 3.41 C ATOM 2879 C PHE B 86 17.151 -8.040 10.998 1.00 3.14 C ATOM 2880 O PHE B 86 16.806 -8.854 11.850 1.00 3.73 O ATOM 2881 CB PHE B 86 18.530 -6.416 12.385 1.00 4.21 C ATOM 2882 CG PHE B 86 19.903 -5.855 12.699 1.00 5.28 C ATOM 2883 CD1 PHE B 86 20.917 -6.715 13.165 1.00 6.38 C ATOM 2884 CD2 PHE B 86 20.186 -4.491 12.499 1.00 5.89 C ATOM 2885 CE1 PHE B 86 22.203 -6.217 13.428 1.00 7.54 C ATOM 2886 CE2 PHE B 86 21.475 -3.991 12.758 1.00 7.19 C ATOM 2887 CZ PHE B 86 22.484 -4.852 13.221 1.00 7.82 C ATOM 0 H PHE B 86 18.889 -5.508 10.164 1.00 2.86 H new ATOM 0 HA PHE B 86 19.237 -8.117 11.236 1.00 3.41 H new ATOM 0 HB2 PHE B 86 17.834 -5.590 12.240 1.00 4.21 H new ATOM 0 HB3 PHE B 86 18.175 -6.986 13.243 1.00 4.21 H new ATOM 0 HD1 PHE B 86 20.704 -7.762 13.321 1.00 6.38 H new ATOM 0 HD2 PHE B 86 19.411 -3.826 12.146 1.00 5.89 H new ATOM 0 HE1 PHE B 86 22.976 -6.879 13.789 1.00 7.54 H new ATOM 0 HE2 PHE B 86 21.689 -2.944 12.601 1.00 7.19 H new ATOM 0 HZ PHE B 86 23.474 -4.468 13.418 1.00 7.82 H new ATOM 2897 N PHE B 87 16.394 -7.767 9.928 1.00 2.55 N ATOM 2898 CA PHE B 87 15.157 -8.461 9.571 1.00 2.73 C ATOM 2899 C PHE B 87 15.309 -9.328 8.308 1.00 2.54 C ATOM 2900 O PHE B 87 14.303 -9.825 7.807 1.00 3.05 O ATOM 2901 CB PHE B 87 14.030 -7.428 9.380 1.00 2.84 C ATOM 2902 CG PHE B 87 13.780 -6.508 10.558 1.00 3.46 C ATOM 2903 CD1 PHE B 87 14.546 -5.339 10.698 1.00 4.16 C ATOM 2904 CD2 PHE B 87 12.758 -6.784 11.487 1.00 4.38 C ATOM 2905 CE1 PHE B 87 14.275 -4.425 11.730 1.00 5.03 C ATOM 2906 CE2 PHE B 87 12.497 -5.881 12.529 1.00 5.28 C ATOM 2907 CZ PHE B 87 13.246 -4.694 12.646 1.00 5.35 C ATOM 0 H PHE B 87 16.637 -7.030 9.266 1.00 2.55 H new ATOM 0 HA PHE B 87 14.909 -9.139 10.387 1.00 2.73 H new ATOM 0 HB2 PHE B 87 14.265 -6.817 8.508 1.00 2.84 H new ATOM 0 HB3 PHE B 87 13.106 -7.962 9.156 1.00 2.84 H new ATOM 0 HD1 PHE B 87 15.351 -5.141 10.006 1.00 4.16 H new ATOM 0 HD2 PHE B 87 12.176 -7.689 11.398 1.00 4.38 H new ATOM 0 HE1 PHE B 87 14.856 -3.519 11.818 1.00 5.03 H new ATOM 0 HE2 PHE B 87 11.718 -6.097 13.245 1.00 5.28 H new ATOM 0 HZ PHE B 87 13.029 -3.993 13.438 1.00 5.35 H new ATOM 2917 N LEU B 88 16.526 -9.497 7.766 1.00 2.17 N ATOM 2918 CA LEU B 88 16.832 -10.261 6.542 1.00 2.32 C ATOM 2919 C LEU B 88 17.232 -11.722 6.868 1.00 2.93 C ATOM 2920 O LEU B 88 16.931 -12.217 7.951 1.00 3.23 O ATOM 2921 CB LEU B 88 17.895 -9.473 5.732 1.00 1.99 C ATOM 2922 CG LEU B 88 17.526 -9.250 4.250 1.00 2.50 C ATOM 2923 CD1 LEU B 88 18.542 -8.310 3.593 1.00 2.79 C ATOM 2924 CD2 LEU B 88 17.424 -10.545 3.434 1.00 3.42 C ATOM 0 H LEU B 88 17.361 -9.088 8.186 1.00 2.17 H new ATOM 0 HA LEU B 88 15.945 -10.361 5.917 1.00 2.32 H new ATOM 0 HB2 LEU B 88 18.051 -8.504 6.206 1.00 1.99 H new ATOM 0 HB3 LEU B 88 18.843 -10.008 5.782 1.00 1.99 H new ATOM 0 HG LEU B 88 16.532 -8.804 4.251 1.00 2.50 H new ATOM 0 HD11 LEU B 88 18.274 -8.158 2.547 1.00 2.79 H new ATOM 0 HD12 LEU B 88 18.539 -7.351 4.111 1.00 2.79 H new ATOM 0 HD13 LEU B 88 19.537 -8.751 3.652 1.00 2.79 H new ATOM 0 HD21 LEU B 88 17.161 -10.306 2.403 1.00 3.42 H new ATOM 0 HD22 LEU B 88 18.383 -11.064 3.453 1.00 3.42 H new ATOM 0 HD23 LEU B 88 16.655 -11.187 3.865 1.00 3.42 H new ATOM 2936 N GLU B 89 17.831 -12.425 5.905 1.00 3.44 N ATOM 2937 CA GLU B 89 18.580 -13.678 6.087 1.00 3.96 C ATOM 2938 C GLU B 89 20.079 -13.352 6.134 1.00 3.45 C ATOM 2939 O GLU B 89 20.742 -13.611 7.130 1.00 3.71 O ATOM 2940 CB GLU B 89 18.346 -14.647 4.904 1.00 4.65 C ATOM 2941 CG GLU B 89 17.128 -15.568 5.019 1.00 5.65 C ATOM 2942 CD GLU B 89 15.805 -14.819 5.023 1.00 5.99 C ATOM 2943 OE1 GLU B 89 15.591 -13.957 4.140 1.00 6.18 O ATOM 2944 OE2 GLU B 89 15.007 -15.069 5.954 1.00 6.72 O ATOM 0 H GLU B 89 17.808 -12.126 4.930 1.00 3.44 H new ATOM 0 HA GLU B 89 18.240 -14.149 7.009 1.00 3.96 H new ATOM 0 HB2 GLU B 89 18.246 -14.058 3.992 1.00 4.65 H new ATOM 0 HB3 GLU B 89 19.235 -15.267 4.787 1.00 4.65 H new ATOM 0 HG2 GLU B 89 17.135 -16.274 4.188 1.00 5.65 H new ATOM 0 HG3 GLU B 89 17.209 -16.153 5.935 1.00 5.65 H new ATOM 2951 N ASP B 90 20.585 -12.770 5.039 1.00 3.27 N ATOM 2952 CA ASP B 90 22.005 -12.545 4.740 1.00 3.34 C ATOM 2953 C ASP B 90 22.102 -11.748 3.418 1.00 3.52 C ATOM 2954 O ASP B 90 21.619 -10.614 3.382 1.00 3.83 O ATOM 2955 CB ASP B 90 22.795 -13.871 4.751 1.00 4.35 C ATOM 2956 CG ASP B 90 24.273 -13.632 4.446 1.00 5.06 C ATOM 2957 OD1 ASP B 90 24.884 -12.787 5.139 1.00 5.12 O ATOM 2958 OD2 ASP B 90 24.735 -14.215 3.439 1.00 6.12 O ATOM 0 H ASP B 90 19.979 -12.424 4.295 1.00 3.27 H new ATOM 0 HA ASP B 90 22.479 -11.945 5.517 1.00 3.34 H new ATOM 0 HB2 ASP B 90 22.694 -14.350 5.725 1.00 4.35 H new ATOM 0 HB3 ASP B 90 22.374 -14.555 4.014 1.00 4.35 H new ATOM 2963 N ASN B 91 22.714 -12.297 2.356 1.00 4.16 N ATOM 2964 CA ASN B 91 22.757 -11.810 0.965 1.00 4.95 C ATOM 2965 C ASN B 91 23.718 -10.619 0.770 1.00 4.83 C ATOM 2966 O ASN B 91 24.732 -10.762 0.087 1.00 5.48 O ATOM 2967 CB ASN B 91 21.338 -11.504 0.428 1.00 5.82 C ATOM 2968 CG ASN B 91 20.331 -12.628 0.653 1.00 6.79 C ATOM 2969 OD1 ASN B 91 19.227 -12.424 1.139 1.00 7.68 O ATOM 2970 ND2 ASN B 91 20.675 -13.866 0.334 1.00 7.33 N ATOM 0 H ASN B 91 23.236 -13.167 2.456 1.00 4.16 H new ATOM 0 HA ASN B 91 23.168 -12.623 0.367 1.00 4.95 H new ATOM 0 HB2 ASN B 91 20.968 -10.598 0.907 1.00 5.82 H new ATOM 0 HB3 ASN B 91 21.402 -11.297 -0.640 1.00 5.82 H new ATOM 0 HD21 ASN B 91 20.023 -14.634 0.494 1.00 7.33 H new ATOM 0 HD22 ASN B 91 21.592 -14.052 -0.072 1.00 7.33 H new ATOM 2977 N LYS B 92 23.382 -9.497 1.418 1.00 4.62 N ATOM 2978 CA LYS B 92 24.048 -8.186 1.439 1.00 5.35 C ATOM 2979 C LYS B 92 23.802 -7.364 0.161 1.00 6.33 C ATOM 2980 O LYS B 92 24.356 -6.245 0.113 1.00 7.00 O ATOM 2981 CB LYS B 92 25.556 -8.275 1.783 1.00 6.23 C ATOM 2982 CG LYS B 92 26.083 -9.257 2.859 1.00 6.74 C ATOM 2983 CD LYS B 92 25.158 -9.751 3.981 1.00 6.52 C ATOM 2984 CE LYS B 92 24.378 -8.662 4.725 1.00 7.08 C ATOM 2985 NZ LYS B 92 23.203 -9.229 5.423 1.00 7.01 N ATOM 2986 OXT LYS B 92 23.024 -7.828 -0.706 1.00 6.98 O ATOM 0 H LYS B 92 22.547 -9.483 2.004 1.00 4.62 H new ATOM 0 HA LYS B 92 23.575 -7.641 2.256 1.00 5.35 H new ATOM 0 HB2 LYS B 92 26.079 -8.510 0.856 1.00 6.23 H new ATOM 0 HB3 LYS B 92 25.872 -7.276 2.083 1.00 6.23 H new ATOM 0 HG2 LYS B 92 26.454 -10.138 2.336 1.00 6.74 H new ATOM 0 HG3 LYS B 92 26.942 -8.783 3.335 1.00 6.74 H new ATOM 0 HD2 LYS B 92 24.445 -10.457 3.555 1.00 6.52 H new ATOM 0 HD3 LYS B 92 25.758 -10.302 4.705 1.00 6.52 H new ATOM 0 HE2 LYS B 92 25.031 -8.171 5.446 1.00 7.08 H new ATOM 0 HE3 LYS B 92 24.052 -7.898 4.019 1.00 7.08 H new ATOM 0 HZ1 LYS B 92 22.703 -8.472 5.932 1.00 7.01 H new ATOM 0 HZ2 LYS B 92 22.561 -9.661 4.728 1.00 7.01 H new ATOM 0 HZ3 LYS B 92 23.517 -9.953 6.100 1.00 7.01 H new TER 3000 LYS B 92