USER MOD reduce.3.24.130724 H: found=0, std=0, add=1373, rem=0, adj=69 USER MOD reduce.3.24.130724 removed 1371 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 80 CYS SG : rot -160:sc= 0.218 USER MOD Set 1.2: B 84 ASN : amide:sc= 0.608 K(o=0.83,f=-6.2!) USER MOD Set 2.1: B 62 ASN : amide:sc= 0.878 K(o=1.7,f=-2.4!) USER MOD Set 2.2: B 65 GLN : amide:sc= 0.864 K(o=1.7,f=-2.9) USER MOD Set 3.1: B 58 SER OG : rot 126:sc= 2.06 USER MOD Set 3.2: B 61 LYS NZ :NH3+ -164:sc= 1.07 (180deg=0) USER MOD Set 4.1: B 15 THR OG1 : rot -77:sc= 0.969 USER MOD Set 4.2: B 72 TYR OH : rot 154:sc= 0.624 USER MOD Set 5.1: B 7 LYS NZ :NH3+ 177:sc= 1.03 (180deg=0.974) USER MOD Set 5.2: B 10 THR OG1 : rot 89:sc= 1.21 USER MOD Set 6.1: A 80 CYS SG : rot 180:sc= 0.38 USER MOD Set 6.2: A 84 ASN : amide:sc= 0.464 K(o=0.84,f=-0.11) USER MOD Set 7.1: A 77 THR OG1 : rot 85:sc= 1.88 USER MOD Set 7.2: B 73 SER OG : rot -173:sc= 0.644 USER MOD Set 8.1: A 73 SER OG : rot -169:sc= 0.562 USER MOD Set 8.2: B 77 THR OG1 : rot 85:sc= 1.69 USER MOD Set 9.1: A 32 LYS NZ :NH3+ 161:sc= 1.21 (180deg=0.468) USER MOD Set 9.2: A 63 SER OG : rot -67:sc= 0.0919 USER MOD Single : A 3 THR OG1 : rot 120:sc= 0.912 USER MOD Single : A 7 LYS NZ :NH3+ -123:sc= -0.185 (180deg=-0.692!) USER MOD Single : A 10 THR OG1 : rot 41:sc= 1.25 USER MOD Single : A 11 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 12 MET CE :methyl -165:sc= 0 (180deg=-0.185) USER MOD Single : A 14 THR OG1 : rot 79:sc= 1.26 USER MOD Single : A 15 THR OG1 : rot 101:sc= 1.22 USER MOD Single : A 17 HIS : no HE2:sc= -0.0059 X(o=-0.0059,f=-0.38) USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0534) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -125:sc= 1.23 USER MOD Single : A 25 SER OG : rot 174:sc= 0.947 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 121:sc= 0.765 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00156 USER MOD Single : A 35 LYS NZ :NH3+ -133:sc= 1.29 (180deg=0.184) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= 1.03 (180deg=0.763) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0.129 (180deg=-0.00361) USER MOD Single : A 43 CYS SG : rot 180:sc= 0.0998 USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= 1.45 (180deg=0.629) USER MOD Single : A 50 SER OG : rot -91:sc= 1.18 USER MOD Single : A 51 SER OG : rot 180:sc=-0.00432 USER MOD Single : A 56 MET CE :methyl 145:sc= -1.1 (180deg=-2.8!) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= 0.313 (180deg=0.217) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= 2.44 (180deg=1.77) USER MOD Single : A 62 ASN : amide:sc= 0.444 X(o=0.44,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.511 K(o=-0.51,f=-2.4) USER MOD Single : A 70 LYS NZ :NH3+ 142:sc= 0.898 (180deg=-0.855) USER MOD Single : A 72 TYR OH : rot 172:sc=-0.00726 USER MOD Single : A 78 MET CE :methyl 161:sc=-7.9e-05 (180deg=-0.26) USER MOD Single : A 81 MET CE :methyl -163:sc= -0.0249 (180deg=-0.729) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot 103:sc= 1.17 USER MOD Single : B 11 THR OG1 : rot 92:sc= 1.25 USER MOD Single : B 12 MET CE :methyl -107:sc= 0 (180deg=-0.0913) USER MOD Single : B 14 THR OG1 : rot 79:sc= 1.23 USER MOD Single : B 17 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : B 18 LYS NZ :NH3+ 177:sc= 0.761 (180deg=0.75) USER MOD Single : B 19 TYR OH : rot 30:sc= 0 USER MOD Single : B 20 SER OG : rot -36:sc= 0.754 USER MOD Single : B 25 SER OG : rot 169:sc= 1.02 USER MOD Single : B 26 LYS NZ :NH3+ 140:sc= 1.24 (180deg=0.393) USER MOD Single : B 28 THR OG1 : rot 180:sc= -0.421 USER MOD Single : B 30 SER OG : rot -98:sc= 1.33 USER MOD Single : B 32 LYS NZ :NH3+ -141:sc= 0.706 (180deg=0.358!) USER MOD Single : B 35 LYS NZ :NH3+ 151:sc= 1.27 (180deg=1.21) USER MOD Single : B 39 LYS NZ :NH3+ -166:sc= 1.26 (180deg=1.13) USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 1.06 (180deg=1.06) USER MOD Single : B 43 CYS SG : rot 180:sc= 0 USER MOD Single : B 47 MET CE :methyl -173:sc= -3.23 (180deg=-3.44) USER MOD Single : B 48 LYS NZ :NH3+ -138:sc= 0.469 (180deg=-0.587) USER MOD Single : B 50 SER OG : rot 84:sc= 1.47 USER MOD Single : B 51 SER OG : rot 94:sc= 1.24 USER MOD Single : B 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 161:sc= 1.87 (180deg=1.28) USER MOD Single : B 63 SER OG : rot 98:sc= 1.27 USER MOD Single : B 70 LYS NZ :NH3+ -146:sc= 0.666! (180deg=0.573) USER MOD Single : B 78 MET CE :methyl 170:sc= 0 (180deg=-0.253) USER MOD Single : B 81 MET CE :methyl -158:sc= -0.208 (180deg=-1.02) USER MOD Single : B 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 10.952 4.446 21.919 1.00 2.29 N ATOM 18 CA GLU A 2 10.081 4.252 20.767 1.00 1.75 C ATOM 19 C GLU A 2 9.152 5.468 20.691 1.00 1.44 C ATOM 20 O GLU A 2 8.769 6.000 21.734 1.00 1.84 O ATOM 21 CB GLU A 2 9.313 2.923 20.839 1.00 2.41 C ATOM 22 CG GLU A 2 8.669 2.607 22.197 1.00 3.04 C ATOM 23 CD GLU A 2 7.707 1.445 22.009 1.00 4.03 C ATOM 24 OE1 GLU A 2 8.152 0.333 21.662 1.00 4.68 O ATOM 25 OE2 GLU A 2 6.485 1.694 21.968 1.00 4.77 O ATOM 0 HA GLU A 2 10.671 4.180 19.853 1.00 1.75 H new ATOM 0 HB2 GLU A 2 8.532 2.933 20.079 1.00 2.41 H new ATOM 0 HB3 GLU A 2 9.997 2.114 20.583 1.00 2.41 H new ATOM 0 HG2 GLU A 2 9.434 2.352 22.930 1.00 3.04 H new ATOM 0 HG3 GLU A 2 8.140 3.480 22.579 1.00 3.04 H new ATOM 32 N THR A 3 8.833 5.929 19.478 1.00 1.13 N ATOM 33 CA THR A 3 7.868 7.009 19.205 1.00 0.87 C ATOM 34 C THR A 3 6.846 6.558 18.143 1.00 1.11 C ATOM 35 O THR A 3 7.118 5.584 17.431 1.00 1.51 O ATOM 36 CB THR A 3 8.572 8.316 18.798 1.00 1.02 C ATOM 37 OG1 THR A 3 9.033 8.205 17.479 1.00 1.49 O ATOM 38 CG2 THR A 3 9.741 8.654 19.727 1.00 1.42 C ATOM 0 H THR A 3 9.251 5.551 18.628 1.00 1.13 H new ATOM 0 HA THR A 3 7.328 7.221 20.128 1.00 0.87 H new ATOM 0 HB THR A 3 7.846 9.125 18.878 1.00 1.02 H new ATOM 0 HG1 THR A 3 8.610 8.895 16.926 1.00 1.49 H new ATOM 0 HG21 THR A 3 10.207 9.584 19.401 1.00 1.42 H new ATOM 0 HG22 THR A 3 9.374 8.770 20.747 1.00 1.42 H new ATOM 0 HG23 THR A 3 10.475 7.849 19.695 1.00 1.42 H new ATOM 46 N PRO A 4 5.650 7.174 18.055 1.00 1.01 N ATOM 47 CA PRO A 4 4.538 6.576 17.328 1.00 1.19 C ATOM 48 C PRO A 4 4.643 6.686 15.802 1.00 1.07 C ATOM 49 O PRO A 4 3.995 5.882 15.135 1.00 1.15 O ATOM 50 CB PRO A 4 3.266 7.222 17.882 1.00 1.38 C ATOM 51 CG PRO A 4 3.739 8.580 18.382 1.00 1.24 C ATOM 52 CD PRO A 4 5.183 8.325 18.820 1.00 0.97 C ATOM 0 HA PRO A 4 4.537 5.498 17.488 1.00 1.19 H new ATOM 0 HB2 PRO A 4 2.500 7.323 17.113 1.00 1.38 H new ATOM 0 HB3 PRO A 4 2.833 6.628 18.687 1.00 1.38 H new ATOM 0 HG2 PRO A 4 3.686 9.335 17.598 1.00 1.24 H new ATOM 0 HG3 PRO A 4 3.127 8.937 19.210 1.00 1.24 H new ATOM 0 HD2 PRO A 4 5.807 9.198 18.627 1.00 0.97 H new ATOM 0 HD3 PRO A 4 5.234 8.126 19.890 1.00 0.97 H new ATOM 60 N LEU A 5 5.467 7.574 15.217 1.00 1.00 N ATOM 61 CA LEU A 5 5.693 7.510 13.766 1.00 1.02 C ATOM 62 C LEU A 5 6.357 6.189 13.368 1.00 0.99 C ATOM 63 O LEU A 5 5.877 5.546 12.439 1.00 0.98 O ATOM 64 CB LEU A 5 6.460 8.751 13.273 1.00 1.08 C ATOM 65 CG LEU A 5 6.667 8.849 11.746 1.00 1.26 C ATOM 66 CD1 LEU A 5 5.379 8.646 10.933 1.00 1.58 C ATOM 67 CD2 LEU A 5 7.241 10.237 11.419 1.00 2.16 C ATOM 0 H LEU A 5 5.969 8.316 15.705 1.00 1.00 H new ATOM 0 HA LEU A 5 4.727 7.527 13.261 1.00 1.02 H new ATOM 0 HB2 LEU A 5 5.926 9.641 13.606 1.00 1.08 H new ATOM 0 HB3 LEU A 5 7.437 8.766 13.755 1.00 1.08 H new ATOM 0 HG LEU A 5 7.348 8.045 11.465 1.00 1.26 H new ATOM 0 HD11 LEU A 5 5.603 8.729 9.870 1.00 1.58 H new ATOM 0 HD12 LEU A 5 4.969 7.658 11.142 1.00 1.58 H new ATOM 0 HD13 LEU A 5 4.650 9.407 11.210 1.00 1.58 H new ATOM 0 HD21 LEU A 5 7.394 10.323 10.343 1.00 2.16 H new ATOM 0 HD22 LEU A 5 6.543 11.006 11.749 1.00 2.16 H new ATOM 0 HD23 LEU A 5 8.194 10.367 11.932 1.00 2.16 H new ATOM 79 N GLU A 6 7.364 5.708 14.106 1.00 1.08 N ATOM 80 CA GLU A 6 7.949 4.382 13.848 1.00 1.24 C ATOM 81 C GLU A 6 6.906 3.261 14.013 1.00 1.12 C ATOM 82 O GLU A 6 6.900 2.310 13.243 1.00 1.18 O ATOM 83 CB GLU A 6 9.206 4.154 14.712 1.00 1.60 C ATOM 84 CG GLU A 6 9.811 2.736 14.637 1.00 2.13 C ATOM 85 CD GLU A 6 10.013 2.205 13.214 1.00 3.68 C ATOM 86 OE1 GLU A 6 10.548 2.954 12.374 1.00 4.86 O ATOM 87 OE2 GLU A 6 9.620 1.042 12.967 1.00 4.58 O ATOM 0 H GLU A 6 7.791 6.212 14.883 1.00 1.08 H new ATOM 0 HA GLU A 6 8.270 4.351 12.807 1.00 1.24 H new ATOM 0 HB2 GLU A 6 9.968 4.873 14.411 1.00 1.60 H new ATOM 0 HB3 GLU A 6 8.957 4.370 15.751 1.00 1.60 H new ATOM 0 HG2 GLU A 6 10.773 2.737 15.150 1.00 2.13 H new ATOM 0 HG3 GLU A 6 9.161 2.049 15.179 1.00 2.13 H new ATOM 94 N LYS A 7 5.919 3.389 14.906 1.00 1.04 N ATOM 95 CA LYS A 7 4.837 2.395 14.965 1.00 1.06 C ATOM 96 C LYS A 7 4.055 2.266 13.639 1.00 0.98 C ATOM 97 O LYS A 7 3.549 1.176 13.354 1.00 1.01 O ATOM 98 CB LYS A 7 3.908 2.663 16.162 1.00 1.22 C ATOM 99 CG LYS A 7 4.613 2.636 17.520 1.00 1.58 C ATOM 100 CD LYS A 7 5.277 1.287 17.800 1.00 2.23 C ATOM 101 CE LYS A 7 5.652 1.281 19.274 1.00 3.03 C ATOM 102 NZ LYS A 7 6.296 0.025 19.727 1.00 3.80 N ATOM 0 H LYS A 7 5.844 4.149 15.582 1.00 1.04 H new ATOM 0 HA LYS A 7 5.310 1.425 15.118 1.00 1.06 H new ATOM 0 HB2 LYS A 7 3.435 3.636 16.030 1.00 1.22 H new ATOM 0 HB3 LYS A 7 3.112 1.919 16.164 1.00 1.22 H new ATOM 0 HG2 LYS A 7 5.366 3.423 17.552 1.00 1.58 H new ATOM 0 HG3 LYS A 7 3.891 2.854 18.307 1.00 1.58 H new ATOM 0 HD2 LYS A 7 4.597 0.466 17.570 1.00 2.23 H new ATOM 0 HD3 LYS A 7 6.160 1.154 17.176 1.00 2.23 H new ATOM 0 HE2 LYS A 7 6.327 2.114 19.470 1.00 3.03 H new ATOM 0 HE3 LYS A 7 4.754 1.451 19.868 1.00 3.03 H new ATOM 0 HZ1 LYS A 7 5.750 -0.381 20.513 1.00 3.80 H new ATOM 0 HZ2 LYS A 7 6.326 -0.653 18.939 1.00 3.80 H new ATOM 0 HZ3 LYS A 7 7.265 0.227 20.047 1.00 3.80 H new ATOM 116 N ALA A 8 4.009 3.307 12.793 1.00 0.94 N ATOM 117 CA ALA A 8 3.491 3.203 11.425 1.00 0.92 C ATOM 118 C ALA A 8 4.440 2.428 10.502 1.00 0.85 C ATOM 119 O ALA A 8 3.987 1.536 9.786 1.00 0.85 O ATOM 120 CB ALA A 8 3.231 4.605 10.864 1.00 1.07 C ATOM 0 H ALA A 8 4.330 4.243 13.040 1.00 0.94 H new ATOM 0 HA ALA A 8 2.557 2.643 11.466 1.00 0.92 H new ATOM 0 HB1 ALA A 8 2.846 4.524 9.847 1.00 1.07 H new ATOM 0 HB2 ALA A 8 2.500 5.117 11.489 1.00 1.07 H new ATOM 0 HB3 ALA A 8 4.162 5.172 10.856 1.00 1.07 H new ATOM 126 N LEU A 9 5.746 2.722 10.552 1.00 0.85 N ATOM 127 CA LEU A 9 6.791 2.036 9.780 1.00 0.88 C ATOM 128 C LEU A 9 6.838 0.548 10.161 1.00 0.89 C ATOM 129 O LEU A 9 6.586 -0.288 9.290 1.00 0.83 O ATOM 130 CB LEU A 9 8.159 2.726 9.994 1.00 0.87 C ATOM 131 CG LEU A 9 8.459 4.012 9.191 1.00 0.82 C ATOM 132 CD1 LEU A 9 8.493 3.752 7.678 1.00 1.02 C ATOM 133 CD2 LEU A 9 7.485 5.160 9.498 1.00 0.87 C ATOM 0 H LEU A 9 6.115 3.464 11.147 1.00 0.85 H new ATOM 0 HA LEU A 9 6.554 2.100 8.718 1.00 0.88 H new ATOM 0 HB2 LEU A 9 8.249 2.966 11.053 1.00 0.87 H new ATOM 0 HB3 LEU A 9 8.938 2.000 9.764 1.00 0.87 H new ATOM 0 HG LEU A 9 9.451 4.325 9.518 1.00 0.82 H new ATOM 0 HD11 LEU A 9 8.707 4.683 7.154 1.00 1.02 H new ATOM 0 HD12 LEU A 9 9.270 3.021 7.452 1.00 1.02 H new ATOM 0 HD13 LEU A 9 7.527 3.367 7.353 1.00 1.02 H new ATOM 0 HD21 LEU A 9 7.751 6.033 8.901 1.00 0.87 H new ATOM 0 HD22 LEU A 9 6.469 4.850 9.254 1.00 0.87 H new ATOM 0 HD23 LEU A 9 7.543 5.413 10.557 1.00 0.87 H new ATOM 145 N THR A 10 7.025 0.224 11.451 1.00 1.02 N ATOM 146 CA THR A 10 6.884 -1.117 12.052 1.00 0.99 C ATOM 147 C THR A 10 5.654 -1.854 11.523 1.00 0.92 C ATOM 148 O THR A 10 5.778 -3.000 11.085 1.00 0.92 O ATOM 149 CB THR A 10 6.795 -0.980 13.580 1.00 1.05 C ATOM 150 OG1 THR A 10 8.038 -0.643 14.135 1.00 1.27 O ATOM 151 CG2 THR A 10 6.396 -2.279 14.288 1.00 1.08 C ATOM 0 H THR A 10 7.293 0.926 12.141 1.00 1.02 H new ATOM 0 HA THR A 10 7.760 -1.705 11.777 1.00 0.99 H new ATOM 0 HB THR A 10 6.039 -0.210 13.731 1.00 1.05 H new ATOM 0 HG1 THR A 10 8.478 0.027 13.570 1.00 1.27 H new ATOM 0 HG21 THR A 10 6.353 -2.109 15.364 1.00 1.08 H new ATOM 0 HG22 THR A 10 5.418 -2.602 13.932 1.00 1.08 H new ATOM 0 HG23 THR A 10 7.133 -3.052 14.072 1.00 1.08 H new ATOM 159 N THR A 11 4.480 -1.208 11.535 1.00 0.87 N ATOM 160 CA THR A 11 3.222 -1.812 11.064 1.00 0.78 C ATOM 161 C THR A 11 3.269 -2.071 9.563 1.00 0.67 C ATOM 162 O THR A 11 2.976 -3.192 9.155 1.00 0.69 O ATOM 163 CB THR A 11 2.008 -0.966 11.469 1.00 0.75 C ATOM 164 OG1 THR A 11 1.971 -0.890 12.873 1.00 1.03 O ATOM 165 CG2 THR A 11 0.681 -1.593 11.044 1.00 0.82 C ATOM 0 H THR A 11 4.374 -0.251 11.871 1.00 0.87 H new ATOM 0 HA THR A 11 3.108 -2.779 11.554 1.00 0.78 H new ATOM 0 HB THR A 11 2.118 0.003 10.982 1.00 0.75 H new ATOM 0 HG1 THR A 11 2.533 -0.146 13.175 1.00 1.03 H new ATOM 0 HG21 THR A 11 -0.142 -0.950 11.357 1.00 0.82 H new ATOM 0 HG22 THR A 11 0.662 -1.705 9.960 1.00 0.82 H new ATOM 0 HG23 THR A 11 0.575 -2.572 11.511 1.00 0.82 H new ATOM 173 N MET A 12 3.716 -1.107 8.746 1.00 0.65 N ATOM 174 CA MET A 12 3.918 -1.293 7.298 1.00 0.65 C ATOM 175 C MET A 12 4.884 -2.438 6.998 1.00 0.67 C ATOM 176 O MET A 12 4.520 -3.331 6.238 1.00 0.61 O ATOM 177 CB MET A 12 4.472 -0.026 6.623 1.00 0.72 C ATOM 178 CG MET A 12 3.492 1.136 6.477 1.00 0.82 C ATOM 179 SD MET A 12 4.300 2.558 5.695 1.00 1.06 S ATOM 180 CE MET A 12 2.862 3.460 5.089 1.00 0.68 C ATOM 0 H MET A 12 3.950 -0.169 9.071 1.00 0.65 H new ATOM 0 HA MET A 12 2.931 -1.524 6.897 1.00 0.65 H new ATOM 0 HB2 MET A 12 5.333 0.320 7.195 1.00 0.72 H new ATOM 0 HB3 MET A 12 4.836 -0.296 5.632 1.00 0.72 H new ATOM 0 HG2 MET A 12 2.636 0.824 5.879 1.00 0.82 H new ATOM 0 HG3 MET A 12 3.110 1.422 7.457 1.00 0.82 H new ATOM 0 HE1 MET A 12 3.181 4.208 4.363 1.00 0.68 H new ATOM 0 HE2 MET A 12 2.170 2.765 4.613 1.00 0.68 H new ATOM 0 HE3 MET A 12 2.364 3.953 5.924 1.00 0.68 H new ATOM 190 N VAL A 13 6.081 -2.437 7.598 1.00 0.82 N ATOM 191 CA VAL A 13 7.121 -3.436 7.297 1.00 0.98 C ATOM 192 C VAL A 13 6.699 -4.828 7.764 1.00 1.03 C ATOM 193 O VAL A 13 6.909 -5.782 7.019 1.00 1.12 O ATOM 194 CB VAL A 13 8.530 -3.082 7.838 1.00 1.14 C ATOM 195 CG1 VAL A 13 9.038 -1.788 7.187 1.00 1.19 C ATOM 196 CG2 VAL A 13 8.619 -2.987 9.361 1.00 1.17 C ATOM 0 H VAL A 13 6.357 -1.751 8.300 1.00 0.82 H new ATOM 0 HA VAL A 13 7.214 -3.430 6.211 1.00 0.98 H new ATOM 0 HB VAL A 13 9.172 -3.918 7.562 1.00 1.14 H new ATOM 0 HG11 VAL A 13 10.028 -1.550 7.575 1.00 1.19 H new ATOM 0 HG12 VAL A 13 9.094 -1.922 6.107 1.00 1.19 H new ATOM 0 HG13 VAL A 13 8.353 -0.972 7.416 1.00 1.19 H new ATOM 0 HG21 VAL A 13 9.639 -2.736 9.651 1.00 1.17 H new ATOM 0 HG22 VAL A 13 7.939 -2.213 9.718 1.00 1.17 H new ATOM 0 HG23 VAL A 13 8.342 -3.944 9.802 1.00 1.17 H new ATOM 206 N THR A 14 6.015 -4.943 8.913 1.00 1.02 N ATOM 207 CA THR A 14 5.385 -6.191 9.375 1.00 1.09 C ATOM 208 C THR A 14 4.378 -6.686 8.345 1.00 1.06 C ATOM 209 O THR A 14 4.440 -7.847 7.955 1.00 1.21 O ATOM 210 CB THR A 14 4.690 -6.006 10.731 1.00 1.11 C ATOM 211 OG1 THR A 14 5.638 -5.631 11.691 1.00 1.27 O ATOM 212 CG2 THR A 14 4.061 -7.301 11.242 1.00 1.40 C ATOM 0 H THR A 14 5.882 -4.162 9.556 1.00 1.02 H new ATOM 0 HA THR A 14 6.175 -6.932 9.498 1.00 1.09 H new ATOM 0 HB THR A 14 3.917 -5.252 10.584 1.00 1.11 H new ATOM 0 HG1 THR A 14 5.843 -4.678 11.593 1.00 1.27 H new ATOM 0 HG21 THR A 14 3.582 -7.118 12.204 1.00 1.40 H new ATOM 0 HG22 THR A 14 3.317 -7.651 10.527 1.00 1.40 H new ATOM 0 HG23 THR A 14 4.835 -8.059 11.361 1.00 1.40 H new ATOM 220 N THR A 15 3.481 -5.807 7.895 1.00 0.89 N ATOM 221 CA THR A 15 2.334 -6.143 7.035 1.00 0.70 C ATOM 222 C THR A 15 2.752 -6.471 5.604 1.00 0.69 C ATOM 223 O THR A 15 2.120 -7.316 4.977 1.00 0.86 O ATOM 224 CB THR A 15 1.302 -5.013 7.114 1.00 0.65 C ATOM 225 OG1 THR A 15 0.969 -4.843 8.471 1.00 1.80 O ATOM 226 CG2 THR A 15 0.007 -5.328 6.373 1.00 1.60 C ATOM 0 H THR A 15 3.529 -4.814 8.122 1.00 0.89 H new ATOM 0 HA THR A 15 1.871 -7.059 7.403 1.00 0.70 H new ATOM 0 HB THR A 15 1.745 -4.129 6.656 1.00 0.65 H new ATOM 0 HG1 THR A 15 1.449 -4.068 8.831 1.00 1.80 H new ATOM 0 HG21 THR A 15 -0.680 -4.487 6.468 1.00 1.60 H new ATOM 0 HG22 THR A 15 0.224 -5.502 5.319 1.00 1.60 H new ATOM 0 HG23 THR A 15 -0.449 -6.220 6.801 1.00 1.60 H new ATOM 234 N PHE A 16 3.843 -5.877 5.118 1.00 0.69 N ATOM 235 CA PHE A 16 4.516 -6.219 3.866 1.00 0.73 C ATOM 236 C PHE A 16 5.254 -7.568 3.972 1.00 0.78 C ATOM 237 O PHE A 16 4.972 -8.499 3.222 1.00 0.70 O ATOM 238 CB PHE A 16 5.461 -5.042 3.566 1.00 0.80 C ATOM 239 CG PHE A 16 6.259 -5.096 2.282 1.00 0.86 C ATOM 240 CD1 PHE A 16 7.453 -5.837 2.230 1.00 1.74 C ATOM 241 CD2 PHE A 16 5.865 -4.333 1.165 1.00 2.37 C ATOM 242 CE1 PHE A 16 8.252 -5.799 1.080 1.00 1.71 C ATOM 243 CE2 PHE A 16 6.686 -4.265 0.025 1.00 2.44 C ATOM 244 CZ PHE A 16 7.888 -4.990 -0.011 1.00 0.97 C ATOM 0 H PHE A 16 4.302 -5.110 5.609 1.00 0.69 H new ATOM 0 HA PHE A 16 3.808 -6.357 3.049 1.00 0.73 H new ATOM 0 HB2 PHE A 16 4.867 -4.128 3.554 1.00 0.80 H new ATOM 0 HB3 PHE A 16 6.163 -4.955 4.395 1.00 0.80 H new ATOM 0 HD1 PHE A 16 7.754 -6.436 3.077 1.00 1.74 H new ATOM 0 HD2 PHE A 16 4.927 -3.797 1.184 1.00 2.37 H new ATOM 0 HE1 PHE A 16 9.152 -6.394 1.031 1.00 1.71 H new ATOM 0 HE2 PHE A 16 6.393 -3.658 -0.819 1.00 2.44 H new ATOM 0 HZ PHE A 16 8.532 -4.926 -0.876 1.00 0.97 H new ATOM 254 N HIS A 17 6.149 -7.707 4.960 1.00 1.02 N ATOM 255 CA HIS A 17 6.998 -8.888 5.183 1.00 1.16 C ATOM 256 C HIS A 17 6.158 -10.169 5.434 1.00 1.03 C ATOM 257 O HIS A 17 6.535 -11.256 4.995 1.00 1.12 O ATOM 258 CB HIS A 17 7.942 -8.527 6.348 1.00 1.51 C ATOM 259 CG HIS A 17 9.061 -9.469 6.728 1.00 1.67 C ATOM 260 ND1 HIS A 17 9.957 -9.227 7.746 1.00 3.04 N ATOM 261 CD2 HIS A 17 9.426 -10.656 6.150 1.00 1.79 C ATOM 262 CE1 HIS A 17 10.822 -10.254 7.793 1.00 2.95 C ATOM 263 NE2 HIS A 17 10.531 -11.159 6.847 1.00 1.95 N ATOM 0 H HIS A 17 6.308 -6.974 5.651 1.00 1.02 H new ATOM 0 HA HIS A 17 7.584 -9.133 4.297 1.00 1.16 H new ATOM 0 HB2 HIS A 17 8.394 -7.563 6.113 1.00 1.51 H new ATOM 0 HB3 HIS A 17 7.324 -8.382 7.234 1.00 1.51 H new ATOM 0 HD1 HIS A 17 9.963 -8.411 8.357 1.00 3.04 H new ATOM 0 HD2 HIS A 17 8.945 -11.123 5.303 1.00 1.79 H new ATOM 0 HE1 HIS A 17 11.638 -10.339 8.495 1.00 2.95 H new ATOM 272 N LYS A 18 4.961 -10.025 6.016 1.00 0.98 N ATOM 273 CA LYS A 18 3.909 -11.046 6.172 1.00 1.01 C ATOM 274 C LYS A 18 3.529 -11.818 4.888 1.00 0.84 C ATOM 275 O LYS A 18 2.910 -12.883 4.982 1.00 1.05 O ATOM 276 CB LYS A 18 2.692 -10.305 6.752 1.00 1.20 C ATOM 277 CG LYS A 18 1.488 -11.145 7.186 1.00 1.23 C ATOM 278 CD LYS A 18 0.444 -10.199 7.804 1.00 2.27 C ATOM 279 CE LYS A 18 -0.736 -10.949 8.433 1.00 2.51 C ATOM 280 NZ LYS A 18 -0.321 -11.709 9.641 1.00 3.50 N ATOM 0 H LYS A 18 4.679 -9.132 6.419 1.00 0.98 H new ATOM 0 HA LYS A 18 4.286 -11.833 6.825 1.00 1.01 H new ATOM 0 HB2 LYS A 18 3.029 -9.731 7.615 1.00 1.20 H new ATOM 0 HB3 LYS A 18 2.349 -9.588 6.006 1.00 1.20 H new ATOM 0 HG2 LYS A 18 1.065 -11.673 6.332 1.00 1.23 H new ATOM 0 HG3 LYS A 18 1.792 -11.901 7.910 1.00 1.23 H new ATOM 0 HD2 LYS A 18 0.924 -9.582 8.564 1.00 2.27 H new ATOM 0 HD3 LYS A 18 0.071 -9.524 7.034 1.00 2.27 H new ATOM 0 HE2 LYS A 18 -1.518 -10.239 8.701 1.00 2.51 H new ATOM 0 HE3 LYS A 18 -1.164 -11.634 7.701 1.00 2.51 H new ATOM 0 HZ1 LYS A 18 -1.164 -12.078 10.126 1.00 3.50 H new ATOM 0 HZ2 LYS A 18 0.291 -12.502 9.359 1.00 3.50 H new ATOM 0 HZ3 LYS A 18 0.201 -11.080 10.284 1.00 3.50 H new ATOM 294 N TYR A 19 3.847 -11.282 3.707 1.00 0.68 N ATOM 295 CA TYR A 19 3.632 -11.895 2.391 1.00 0.83 C ATOM 296 C TYR A 19 4.950 -12.272 1.674 1.00 1.03 C ATOM 297 O TYR A 19 4.908 -12.902 0.626 1.00 1.37 O ATOM 298 CB TYR A 19 2.788 -10.917 1.555 1.00 0.84 C ATOM 299 CG TYR A 19 1.342 -10.782 2.004 1.00 0.75 C ATOM 300 CD1 TYR A 19 1.004 -10.049 3.156 1.00 1.73 C ATOM 301 CD2 TYR A 19 0.323 -11.384 1.253 1.00 1.88 C ATOM 302 CE1 TYR A 19 -0.342 -9.931 3.558 1.00 1.74 C ATOM 303 CE2 TYR A 19 -1.031 -11.233 1.610 1.00 1.87 C ATOM 304 CZ TYR A 19 -1.368 -10.495 2.766 1.00 0.68 C ATOM 305 OH TYR A 19 -2.672 -10.310 3.109 1.00 0.75 O ATOM 0 H TYR A 19 4.283 -10.363 3.638 1.00 0.68 H new ATOM 0 HA TYR A 19 3.106 -12.841 2.520 1.00 0.83 H new ATOM 0 HB2 TYR A 19 3.258 -9.934 1.587 1.00 0.84 H new ATOM 0 HB3 TYR A 19 2.802 -11.243 0.515 1.00 0.84 H new ATOM 0 HD1 TYR A 19 1.781 -9.573 3.736 1.00 1.73 H new ATOM 0 HD2 TYR A 19 0.581 -11.974 0.386 1.00 1.88 H new ATOM 0 HE1 TYR A 19 -0.589 -9.410 4.471 1.00 1.74 H new ATOM 0 HE2 TYR A 19 -1.806 -11.678 1.004 1.00 1.87 H new ATOM 0 HH TYR A 19 -3.249 -10.763 2.459 1.00 0.75 H new ATOM 315 N SER A 20 6.104 -11.912 2.242 1.00 1.15 N ATOM 316 CA SER A 20 7.446 -12.104 1.674 1.00 1.18 C ATOM 317 C SER A 20 8.189 -13.281 2.318 1.00 1.25 C ATOM 318 O SER A 20 8.621 -14.201 1.621 1.00 1.73 O ATOM 319 CB SER A 20 8.299 -10.850 1.923 1.00 1.25 C ATOM 320 OG SER A 20 7.692 -9.679 1.421 1.00 1.78 O ATOM 0 H SER A 20 6.132 -11.457 3.154 1.00 1.15 H new ATOM 0 HA SER A 20 7.307 -12.301 0.611 1.00 1.18 H new ATOM 0 HB2 SER A 20 8.470 -10.737 2.993 1.00 1.25 H new ATOM 0 HB3 SER A 20 9.275 -10.979 1.456 1.00 1.25 H new ATOM 0 HG SER A 20 8.309 -9.228 0.808 1.00 1.78 H new ATOM 326 N GLY A 21 8.289 -13.287 3.657 1.00 1.21 N ATOM 327 CA GLY A 21 9.106 -14.232 4.434 1.00 1.43 C ATOM 328 C GLY A 21 8.580 -15.670 4.444 1.00 1.74 C ATOM 329 O GLY A 21 9.149 -16.526 5.116 1.00 2.38 O ATOM 0 H GLY A 21 7.791 -12.618 4.244 1.00 1.21 H new ATOM 0 HA2 GLY A 21 10.119 -14.232 4.032 1.00 1.43 H new ATOM 0 HA3 GLY A 21 9.171 -13.876 5.462 1.00 1.43 H new ATOM 332 N ARG A 22 7.516 -15.921 3.673 1.00 1.61 N ATOM 333 CA ARG A 22 7.067 -17.234 3.233 1.00 1.89 C ATOM 334 C ARG A 22 8.117 -17.921 2.339 1.00 2.17 C ATOM 335 O ARG A 22 8.463 -19.076 2.568 1.00 2.84 O ATOM 336 CB ARG A 22 5.839 -17.071 2.352 1.00 1.91 C ATOM 337 CG ARG A 22 4.607 -16.363 2.909 1.00 2.12 C ATOM 338 CD ARG A 22 3.743 -16.177 1.659 1.00 1.98 C ATOM 339 NE ARG A 22 2.444 -15.596 1.964 1.00 2.24 N ATOM 340 CZ ARG A 22 1.643 -15.172 0.993 1.00 2.59 C ATOM 341 NH1 ARG A 22 1.920 -15.365 -0.276 1.00 2.62 N ATOM 342 NH2 ARG A 22 0.544 -14.509 1.252 1.00 3.77 N ATOM 0 H ARG A 22 6.919 -15.171 3.325 1.00 1.61 H new ATOM 0 HA ARG A 22 6.877 -17.823 4.130 1.00 1.89 H new ATOM 0 HB2 ARG A 22 6.148 -16.533 1.456 1.00 1.91 H new ATOM 0 HB3 ARG A 22 5.529 -18.067 2.035 1.00 1.91 H new ATOM 0 HG2 ARG A 22 4.102 -16.962 3.667 1.00 2.12 H new ATOM 0 HG3 ARG A 22 4.861 -15.410 3.373 1.00 2.12 H new ATOM 0 HD2 ARG A 22 4.267 -15.536 0.950 1.00 1.98 H new ATOM 0 HD3 ARG A 22 3.601 -17.142 1.172 1.00 1.98 H new ATOM 0 HE ARG A 22 2.145 -15.513 2.936 1.00 2.24 H new ATOM 0 HH11 ARG A 22 2.774 -15.855 -0.543 1.00 2.62 H new ATOM 0 HH12 ARG A 22 1.281 -15.025 -0.995 1.00 2.62 H new ATOM 0 HH21 ARG A 22 0.286 -14.307 2.218 1.00 3.77 H new ATOM 0 HH22 ARG A 22 -0.054 -14.194 0.488 1.00 3.77 H new ATOM 356 N GLU A 23 8.571 -17.220 1.291 1.00 1.87 N ATOM 357 CA GLU A 23 9.323 -17.773 0.161 1.00 2.22 C ATOM 358 C GLU A 23 10.742 -17.194 0.059 1.00 2.23 C ATOM 359 O GLU A 23 11.613 -17.827 -0.537 1.00 3.09 O ATOM 360 CB GLU A 23 8.579 -17.501 -1.167 1.00 2.45 C ATOM 361 CG GLU A 23 7.335 -18.372 -1.443 1.00 3.22 C ATOM 362 CD GLU A 23 6.016 -17.841 -0.870 1.00 4.02 C ATOM 363 OE1 GLU A 23 5.774 -16.617 -0.953 1.00 4.58 O ATOM 364 OE2 GLU A 23 5.234 -18.659 -0.340 1.00 5.05 O ATOM 0 H GLU A 23 8.418 -16.215 1.206 1.00 1.87 H new ATOM 0 HA GLU A 23 9.404 -18.845 0.339 1.00 2.22 H new ATOM 0 HB2 GLU A 23 8.274 -16.455 -1.181 1.00 2.45 H new ATOM 0 HB3 GLU A 23 9.283 -17.639 -1.988 1.00 2.45 H new ATOM 0 HG2 GLU A 23 7.223 -18.484 -2.522 1.00 3.22 H new ATOM 0 HG3 GLU A 23 7.513 -19.368 -1.036 1.00 3.22 H new ATOM 371 N GLY A 24 11.016 -16.015 0.637 1.00 2.39 N ATOM 372 CA GLY A 24 12.369 -15.459 0.626 1.00 2.65 C ATOM 373 C GLY A 24 12.457 -13.972 0.929 1.00 2.22 C ATOM 374 O GLY A 24 12.228 -13.559 2.061 1.00 3.41 O ATOM 0 H GLY A 24 10.324 -15.436 1.112 1.00 2.39 H new ATOM 0 HA2 GLY A 24 12.973 -15.999 1.355 1.00 2.65 H new ATOM 0 HA3 GLY A 24 12.812 -15.641 -0.353 1.00 2.65 H new ATOM 377 N SER A 25 12.878 -13.212 -0.079 1.00 1.41 N ATOM 378 CA SER A 25 13.382 -11.839 -0.025 1.00 1.34 C ATOM 379 C SER A 25 12.687 -10.924 1.003 1.00 1.43 C ATOM 380 O SER A 25 11.636 -10.345 0.736 1.00 1.84 O ATOM 381 CB SER A 25 13.258 -11.231 -1.427 1.00 1.57 C ATOM 382 OG SER A 25 13.581 -12.106 -2.499 1.00 2.84 O ATOM 0 H SER A 25 12.876 -13.569 -1.035 1.00 1.41 H new ATOM 0 HA SER A 25 14.417 -11.900 0.311 1.00 1.34 H new ATOM 0 HB2 SER A 25 12.236 -10.878 -1.563 1.00 1.57 H new ATOM 0 HB3 SER A 25 13.907 -10.357 -1.485 1.00 1.57 H new ATOM 0 HG SER A 25 13.380 -11.667 -3.352 1.00 2.84 H new ATOM 388 N LYS A 26 13.253 -10.750 2.201 1.00 1.36 N ATOM 389 CA LYS A 26 12.493 -10.170 3.329 1.00 1.36 C ATOM 390 C LYS A 26 12.142 -8.677 3.134 1.00 1.24 C ATOM 391 O LYS A 26 11.252 -8.162 3.810 1.00 1.26 O ATOM 392 CB LYS A 26 13.301 -10.389 4.613 1.00 1.70 C ATOM 393 CG LYS A 26 13.537 -11.872 4.971 1.00 1.49 C ATOM 394 CD LYS A 26 14.905 -12.116 5.618 1.00 2.21 C ATOM 395 CE LYS A 26 16.022 -11.916 4.581 1.00 3.34 C ATOM 396 NZ LYS A 26 17.365 -12.124 5.157 1.00 4.23 N ATOM 0 H LYS A 26 14.218 -10.996 2.420 1.00 1.36 H new ATOM 0 HA LYS A 26 11.531 -10.679 3.390 1.00 1.36 H new ATOM 0 HB2 LYS A 26 14.267 -9.894 4.509 1.00 1.70 H new ATOM 0 HB3 LYS A 26 12.783 -9.906 5.441 1.00 1.70 H new ATOM 0 HG2 LYS A 26 12.754 -12.206 5.651 1.00 1.49 H new ATOM 0 HG3 LYS A 26 13.454 -12.477 4.068 1.00 1.49 H new ATOM 0 HD2 LYS A 26 15.048 -11.432 6.454 1.00 2.21 H new ATOM 0 HD3 LYS A 26 14.950 -13.127 6.022 1.00 2.21 H new ATOM 0 HE2 LYS A 26 15.873 -12.608 3.752 1.00 3.34 H new ATOM 0 HE3 LYS A 26 15.957 -10.908 4.170 1.00 3.34 H new ATOM 0 HZ1 LYS A 26 18.085 -11.978 4.421 1.00 4.23 H new ATOM 0 HZ2 LYS A 26 17.519 -11.447 5.931 1.00 4.23 H new ATOM 0 HZ3 LYS A 26 17.438 -13.094 5.526 1.00 4.23 H new ATOM 410 N LEU A 27 12.819 -8.000 2.198 1.00 1.28 N ATOM 411 CA LEU A 27 12.593 -6.606 1.805 1.00 1.22 C ATOM 412 C LEU A 27 11.717 -6.420 0.552 1.00 0.90 C ATOM 413 O LEU A 27 11.380 -5.274 0.249 1.00 0.90 O ATOM 414 CB LEU A 27 13.949 -5.875 1.674 1.00 1.60 C ATOM 415 CG LEU A 27 14.821 -6.182 0.437 1.00 3.04 C ATOM 416 CD1 LEU A 27 16.023 -5.230 0.444 1.00 3.26 C ATOM 417 CD2 LEU A 27 15.306 -7.639 0.371 1.00 4.29 C ATOM 0 H LEU A 27 13.576 -8.432 1.669 1.00 1.28 H new ATOM 0 HA LEU A 27 12.007 -6.153 2.604 1.00 1.22 H new ATOM 0 HB2 LEU A 27 13.753 -4.803 1.687 1.00 1.60 H new ATOM 0 HB3 LEU A 27 14.538 -6.102 2.563 1.00 1.60 H new ATOM 0 HG LEU A 27 14.201 -6.033 -0.447 1.00 3.04 H new ATOM 0 HD11 LEU A 27 16.652 -5.432 -0.423 1.00 3.26 H new ATOM 0 HD12 LEU A 27 15.671 -4.199 0.405 1.00 3.26 H new ATOM 0 HD13 LEU A 27 16.602 -5.382 1.355 1.00 3.26 H new ATOM 0 HD21 LEU A 27 15.912 -7.781 -0.524 1.00 4.29 H new ATOM 0 HD22 LEU A 27 15.904 -7.864 1.254 1.00 4.29 H new ATOM 0 HD23 LEU A 27 14.446 -8.308 0.336 1.00 4.29 H new ATOM 429 N THR A 28 11.344 -7.497 -0.161 1.00 0.79 N ATOM 430 CA THR A 28 10.609 -7.442 -1.439 1.00 0.67 C ATOM 431 C THR A 28 9.463 -8.463 -1.508 1.00 0.66 C ATOM 432 O THR A 28 9.314 -9.314 -0.637 1.00 0.84 O ATOM 433 CB THR A 28 11.570 -7.588 -2.641 1.00 0.71 C ATOM 434 OG1 THR A 28 12.539 -8.562 -2.388 1.00 1.02 O ATOM 435 CG2 THR A 28 12.349 -6.319 -2.979 1.00 0.96 C ATOM 0 H THR A 28 11.549 -8.450 0.140 1.00 0.79 H new ATOM 0 HA THR A 28 10.146 -6.457 -1.493 1.00 0.67 H new ATOM 0 HB THR A 28 10.914 -7.845 -3.472 1.00 0.71 H new ATOM 0 HG1 THR A 28 12.482 -9.265 -3.068 1.00 1.02 H new ATOM 0 HG21 THR A 28 12.999 -6.508 -3.833 1.00 0.96 H new ATOM 0 HG22 THR A 28 11.651 -5.518 -3.224 1.00 0.96 H new ATOM 0 HG23 THR A 28 12.954 -6.024 -2.121 1.00 0.96 H new ATOM 443 N LEU A 29 8.621 -8.370 -2.544 1.00 0.57 N ATOM 444 CA LEU A 29 7.595 -9.342 -2.990 1.00 0.58 C ATOM 445 C LEU A 29 7.101 -9.012 -4.408 1.00 0.55 C ATOM 446 O LEU A 29 7.415 -7.956 -4.942 1.00 0.58 O ATOM 447 CB LEU A 29 6.410 -9.496 -2.002 1.00 0.64 C ATOM 448 CG LEU A 29 5.323 -8.402 -2.037 1.00 0.65 C ATOM 449 CD1 LEU A 29 4.200 -8.771 -1.061 1.00 0.87 C ATOM 450 CD2 LEU A 29 5.887 -7.027 -1.672 1.00 0.73 C ATOM 0 H LEU A 29 8.634 -7.548 -3.147 1.00 0.57 H new ATOM 0 HA LEU A 29 8.090 -10.313 -3.010 1.00 0.58 H new ATOM 0 HB2 LEU A 29 5.931 -10.456 -2.194 1.00 0.64 H new ATOM 0 HB3 LEU A 29 6.815 -9.539 -0.991 1.00 0.64 H new ATOM 0 HG LEU A 29 4.937 -8.344 -3.055 1.00 0.65 H new ATOM 0 HD11 LEU A 29 3.430 -8.000 -1.084 1.00 0.87 H new ATOM 0 HD12 LEU A 29 3.764 -9.727 -1.352 1.00 0.87 H new ATOM 0 HD13 LEU A 29 4.606 -8.849 -0.052 1.00 0.87 H new ATOM 0 HD21 LEU A 29 5.089 -6.285 -1.709 1.00 0.73 H new ATOM 0 HD22 LEU A 29 6.305 -7.061 -0.666 1.00 0.73 H new ATOM 0 HD23 LEU A 29 6.669 -6.754 -2.381 1.00 0.73 H new ATOM 462 N SER A 30 6.332 -9.901 -5.038 1.00 0.61 N ATOM 463 CA SER A 30 5.899 -9.721 -6.430 1.00 0.66 C ATOM 464 C SER A 30 4.830 -8.632 -6.617 1.00 0.67 C ATOM 465 O SER A 30 3.982 -8.405 -5.741 1.00 0.69 O ATOM 466 CB SER A 30 5.409 -11.048 -7.033 1.00 0.76 C ATOM 467 OG SER A 30 4.205 -11.509 -6.432 1.00 1.28 O ATOM 0 H SER A 30 5.993 -10.760 -4.605 1.00 0.61 H new ATOM 0 HA SER A 30 6.785 -9.379 -6.965 1.00 0.66 H new ATOM 0 HB2 SER A 30 5.251 -10.920 -8.104 1.00 0.76 H new ATOM 0 HB3 SER A 30 6.184 -11.805 -6.914 1.00 0.76 H new ATOM 0 HG SER A 30 3.933 -12.353 -6.849 1.00 1.28 H new ATOM 473 N ARG A 31 4.802 -7.998 -7.803 1.00 0.76 N ATOM 474 CA ARG A 31 3.748 -7.032 -8.147 1.00 0.82 C ATOM 475 C ARG A 31 2.348 -7.608 -7.913 1.00 0.82 C ATOM 476 O ARG A 31 1.449 -6.880 -7.488 1.00 0.87 O ATOM 477 CB ARG A 31 3.776 -6.574 -9.619 1.00 1.03 C ATOM 478 CG ARG A 31 5.076 -6.564 -10.428 1.00 1.80 C ATOM 479 CD ARG A 31 5.859 -5.282 -10.252 1.00 1.72 C ATOM 480 NE ARG A 31 5.217 -4.124 -10.910 1.00 2.15 N ATOM 481 CZ ARG A 31 5.467 -2.845 -10.644 1.00 2.25 C ATOM 482 NH1 ARG A 31 6.327 -2.477 -9.720 1.00 2.36 N ATOM 483 NH2 ARG A 31 4.849 -1.889 -11.303 1.00 3.15 N ATOM 0 H ARG A 31 5.497 -8.138 -8.537 1.00 0.76 H new ATOM 0 HA ARG A 31 3.954 -6.185 -7.493 1.00 0.82 H new ATOM 0 HB2 ARG A 31 3.070 -7.204 -10.161 1.00 1.03 H new ATOM 0 HB3 ARG A 31 3.380 -5.559 -9.643 1.00 1.03 H new ATOM 0 HG2 ARG A 31 5.695 -7.408 -10.125 1.00 1.80 H new ATOM 0 HG3 ARG A 31 4.844 -6.702 -11.484 1.00 1.80 H new ATOM 0 HD2 ARG A 31 5.971 -5.073 -9.188 1.00 1.72 H new ATOM 0 HD3 ARG A 31 6.862 -5.415 -10.658 1.00 1.72 H new ATOM 0 HE ARG A 31 4.522 -4.323 -11.630 1.00 2.15 H new ATOM 0 HH11 ARG A 31 6.828 -3.182 -9.180 1.00 2.36 H new ATOM 0 HH12 ARG A 31 6.493 -1.486 -9.544 1.00 2.36 H new ATOM 0 HH21 ARG A 31 4.170 -2.125 -12.027 1.00 3.15 H new ATOM 0 HH22 ARG A 31 5.049 -0.912 -11.090 1.00 3.15 H new ATOM 497 N LYS A 32 2.144 -8.890 -8.242 1.00 0.87 N ATOM 498 CA LYS A 32 0.839 -9.540 -8.148 1.00 0.95 C ATOM 499 C LYS A 32 0.359 -9.631 -6.700 1.00 0.88 C ATOM 500 O LYS A 32 -0.776 -9.259 -6.420 1.00 1.00 O ATOM 501 CB LYS A 32 0.885 -10.932 -8.796 1.00 1.02 C ATOM 502 CG LYS A 32 -0.480 -11.323 -9.412 1.00 1.39 C ATOM 503 CD LYS A 32 -0.328 -11.365 -10.922 1.00 2.45 C ATOM 504 CE LYS A 32 -1.562 -11.675 -11.763 1.00 3.40 C ATOM 505 NZ LYS A 32 -1.226 -11.394 -13.178 1.00 4.67 N ATOM 0 H LYS A 32 2.884 -9.504 -8.581 1.00 0.87 H new ATOM 0 HA LYS A 32 0.121 -8.926 -8.692 1.00 0.95 H new ATOM 0 HB2 LYS A 32 1.652 -10.947 -9.571 1.00 1.02 H new ATOM 0 HB3 LYS A 32 1.172 -11.672 -8.049 1.00 1.02 H new ATOM 0 HG2 LYS A 32 -0.802 -12.294 -9.036 1.00 1.39 H new ATOM 0 HG3 LYS A 32 -1.246 -10.601 -9.128 1.00 1.39 H new ATOM 0 HD2 LYS A 32 0.060 -10.399 -11.244 1.00 2.45 H new ATOM 0 HD3 LYS A 32 0.432 -12.109 -11.159 1.00 2.45 H new ATOM 0 HE2 LYS A 32 -1.857 -12.717 -11.640 1.00 3.40 H new ATOM 0 HE3 LYS A 32 -2.406 -11.065 -11.442 1.00 3.40 H new ATOM 0 HZ1 LYS A 32 -1.902 -11.883 -13.799 1.00 4.67 H new ATOM 0 HZ2 LYS A 32 -1.277 -10.370 -13.350 1.00 4.67 H new ATOM 0 HZ3 LYS A 32 -0.263 -11.732 -13.380 1.00 4.67 H new ATOM 519 N GLU A 33 1.210 -10.100 -5.783 1.00 0.80 N ATOM 520 CA GLU A 33 0.816 -10.296 -4.388 1.00 0.84 C ATOM 521 C GLU A 33 0.743 -8.963 -3.629 1.00 0.79 C ATOM 522 O GLU A 33 -0.140 -8.793 -2.798 1.00 0.80 O ATOM 523 CB GLU A 33 1.748 -11.316 -3.713 1.00 1.03 C ATOM 524 CG GLU A 33 1.348 -11.731 -2.286 1.00 1.37 C ATOM 525 CD GLU A 33 0.112 -12.643 -2.165 1.00 2.12 C ATOM 526 OE1 GLU A 33 -0.929 -12.383 -2.801 1.00 3.18 O ATOM 527 OE2 GLU A 33 0.171 -13.603 -1.359 1.00 2.86 O ATOM 0 H GLU A 33 2.178 -10.351 -5.984 1.00 0.80 H new ATOM 0 HA GLU A 33 -0.193 -10.709 -4.363 1.00 0.84 H new ATOM 0 HB2 GLU A 33 1.791 -12.210 -4.335 1.00 1.03 H new ATOM 0 HB3 GLU A 33 2.755 -10.899 -3.683 1.00 1.03 H new ATOM 0 HG2 GLU A 33 2.196 -12.240 -1.827 1.00 1.37 H new ATOM 0 HG3 GLU A 33 1.165 -10.827 -1.705 1.00 1.37 H new ATOM 534 N LEU A 34 1.563 -7.948 -3.939 1.00 0.76 N ATOM 535 CA LEU A 34 1.427 -6.639 -3.290 1.00 0.77 C ATOM 536 C LEU A 34 0.070 -5.968 -3.568 1.00 0.71 C ATOM 537 O LEU A 34 -0.559 -5.432 -2.654 1.00 0.71 O ATOM 538 CB LEU A 34 2.605 -5.739 -3.697 1.00 0.89 C ATOM 539 CG LEU A 34 2.630 -4.425 -2.888 1.00 1.27 C ATOM 540 CD1 LEU A 34 2.665 -4.680 -1.375 1.00 1.65 C ATOM 541 CD2 LEU A 34 3.830 -3.577 -3.307 1.00 1.76 C ATOM 0 H LEU A 34 2.316 -8.007 -4.625 1.00 0.76 H new ATOM 0 HA LEU A 34 1.455 -6.796 -2.212 1.00 0.77 H new ATOM 0 HB2 LEU A 34 3.541 -6.276 -3.546 1.00 0.89 H new ATOM 0 HB3 LEU A 34 2.536 -5.510 -4.760 1.00 0.89 H new ATOM 0 HG LEU A 34 1.708 -3.886 -3.106 1.00 1.27 H new ATOM 0 HD11 LEU A 34 2.682 -3.727 -0.846 1.00 1.65 H new ATOM 0 HD12 LEU A 34 1.780 -5.243 -1.080 1.00 1.65 H new ATOM 0 HD13 LEU A 34 3.559 -5.251 -1.123 1.00 1.65 H new ATOM 0 HD21 LEU A 34 3.840 -2.651 -2.731 1.00 1.76 H new ATOM 0 HD22 LEU A 34 4.750 -4.131 -3.120 1.00 1.76 H new ATOM 0 HD23 LEU A 34 3.757 -3.343 -4.369 1.00 1.76 H new ATOM 553 N LYS A 35 -0.439 -6.070 -4.803 1.00 0.77 N ATOM 554 CA LYS A 35 -1.800 -5.675 -5.169 1.00 0.84 C ATOM 555 C LYS A 35 -2.844 -6.388 -4.301 1.00 0.82 C ATOM 556 O LYS A 35 -3.895 -5.822 -3.995 1.00 0.92 O ATOM 557 CB LYS A 35 -1.928 -5.999 -6.678 1.00 0.99 C ATOM 558 CG LYS A 35 -3.330 -6.311 -7.221 1.00 1.22 C ATOM 559 CD LYS A 35 -3.897 -7.692 -6.884 1.00 1.67 C ATOM 560 CE LYS A 35 -4.897 -8.088 -7.959 1.00 2.28 C ATOM 561 NZ LYS A 35 -5.896 -9.048 -7.431 1.00 3.35 N ATOM 0 H LYS A 35 0.097 -6.437 -5.589 1.00 0.77 H new ATOM 0 HA LYS A 35 -1.987 -4.616 -4.991 1.00 0.84 H new ATOM 0 HB2 LYS A 35 -1.531 -5.152 -7.238 1.00 0.99 H new ATOM 0 HB3 LYS A 35 -1.286 -6.853 -6.894 1.00 0.99 H new ATOM 0 HG2 LYS A 35 -4.019 -5.557 -6.842 1.00 1.22 H new ATOM 0 HG3 LYS A 35 -3.308 -6.206 -8.306 1.00 1.22 H new ATOM 0 HD2 LYS A 35 -3.093 -8.426 -6.828 1.00 1.67 H new ATOM 0 HD3 LYS A 35 -4.381 -7.673 -5.907 1.00 1.67 H new ATOM 0 HE2 LYS A 35 -5.405 -7.199 -8.333 1.00 2.28 H new ATOM 0 HE3 LYS A 35 -4.371 -8.533 -8.803 1.00 2.28 H new ATOM 0 HZ1 LYS A 35 -6.004 -9.838 -8.098 1.00 3.35 H new ATOM 0 HZ2 LYS A 35 -5.575 -9.413 -6.511 1.00 3.35 H new ATOM 0 HZ3 LYS A 35 -6.811 -8.567 -7.313 1.00 3.35 H new ATOM 575 N GLU A 36 -2.565 -7.640 -3.965 1.00 0.80 N ATOM 576 CA GLU A 36 -3.481 -8.568 -3.323 1.00 0.95 C ATOM 577 C GLU A 36 -3.541 -8.334 -1.809 1.00 0.95 C ATOM 578 O GLU A 36 -4.632 -8.303 -1.252 1.00 1.12 O ATOM 579 CB GLU A 36 -2.994 -9.979 -3.670 1.00 1.18 C ATOM 580 CG GLU A 36 -4.003 -11.053 -3.315 1.00 1.48 C ATOM 581 CD GLU A 36 -5.254 -11.065 -4.195 1.00 1.89 C ATOM 582 OE1 GLU A 36 -5.283 -10.412 -5.264 1.00 3.01 O ATOM 583 OE2 GLU A 36 -6.194 -11.768 -3.761 1.00 2.08 O ATOM 0 H GLU A 36 -1.650 -8.054 -4.142 1.00 0.80 H new ATOM 0 HA GLU A 36 -4.500 -8.423 -3.681 1.00 0.95 H new ATOM 0 HB2 GLU A 36 -2.775 -10.031 -4.737 1.00 1.18 H new ATOM 0 HB3 GLU A 36 -2.060 -10.176 -3.143 1.00 1.18 H new ATOM 0 HG2 GLU A 36 -3.517 -12.026 -3.383 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -4.306 -10.920 -2.277 1.00 1.48 H new ATOM 590 N LEU A 37 -2.398 -8.093 -1.161 1.00 0.86 N ATOM 591 CA LEU A 37 -2.279 -7.666 0.240 1.00 0.95 C ATOM 592 C LEU A 37 -3.177 -6.451 0.531 1.00 0.96 C ATOM 593 O LEU A 37 -3.937 -6.460 1.502 1.00 1.07 O ATOM 594 CB LEU A 37 -0.772 -7.425 0.502 1.00 0.95 C ATOM 595 CG LEU A 37 -0.364 -6.434 1.616 1.00 0.93 C ATOM 596 CD1 LEU A 37 -0.972 -6.708 2.997 1.00 1.39 C ATOM 597 CD2 LEU A 37 1.169 -6.439 1.732 1.00 1.44 C ATOM 0 H LEU A 37 -1.491 -8.194 -1.616 1.00 0.86 H new ATOM 0 HA LEU A 37 -2.638 -8.428 0.932 1.00 0.95 H new ATOM 0 HB2 LEU A 37 -0.318 -8.389 0.734 1.00 0.95 H new ATOM 0 HB3 LEU A 37 -0.325 -7.078 -0.430 1.00 0.95 H new ATOM 0 HG LEU A 37 -0.761 -5.464 1.315 1.00 0.93 H new ATOM 0 HD11 LEU A 37 -0.622 -5.956 3.704 1.00 1.39 H new ATOM 0 HD12 LEU A 37 -2.059 -6.666 2.931 1.00 1.39 H new ATOM 0 HD13 LEU A 37 -0.668 -7.697 3.339 1.00 1.39 H new ATOM 0 HD21 LEU A 37 1.477 -5.745 2.514 1.00 1.44 H new ATOM 0 HD22 LEU A 37 1.512 -7.443 1.982 1.00 1.44 H new ATOM 0 HD23 LEU A 37 1.607 -6.133 0.782 1.00 1.44 H new ATOM 609 N ILE A 38 -3.141 -5.455 -0.356 1.00 0.88 N ATOM 610 CA ILE A 38 -3.894 -4.186 -0.265 1.00 0.92 C ATOM 611 C ILE A 38 -5.407 -4.389 -0.485 1.00 1.04 C ATOM 612 O ILE A 38 -6.196 -3.474 -0.282 1.00 1.37 O ATOM 613 CB ILE A 38 -3.250 -3.163 -1.235 1.00 0.83 C ATOM 614 CG1 ILE A 38 -1.767 -2.914 -0.855 1.00 0.96 C ATOM 615 CG2 ILE A 38 -3.984 -1.806 -1.279 1.00 0.89 C ATOM 616 CD1 ILE A 38 -0.971 -2.321 -2.017 1.00 1.08 C ATOM 0 H ILE A 38 -2.564 -5.505 -1.196 1.00 0.88 H new ATOM 0 HA ILE A 38 -3.826 -3.784 0.746 1.00 0.92 H new ATOM 0 HB ILE A 38 -3.327 -3.610 -2.226 1.00 0.83 H new ATOM 0 HG12 ILE A 38 -1.720 -2.238 -0.001 1.00 0.96 H new ATOM 0 HG13 ILE A 38 -1.310 -3.853 -0.544 1.00 0.96 H new ATOM 0 HG21 ILE A 38 -3.477 -1.141 -1.978 1.00 0.89 H new ATOM 0 HG22 ILE A 38 -5.013 -1.959 -1.604 1.00 0.89 H new ATOM 0 HG23 ILE A 38 -3.981 -1.358 -0.285 1.00 0.89 H new ATOM 0 HD11 ILE A 38 0.062 -2.163 -1.707 1.00 1.08 H new ATOM 0 HD12 ILE A 38 -0.995 -3.008 -2.863 1.00 1.08 H new ATOM 0 HD13 ILE A 38 -1.412 -1.368 -2.311 1.00 1.08 H new ATOM 628 N LYS A 39 -5.846 -5.581 -0.892 1.00 1.02 N ATOM 629 CA LYS A 39 -7.251 -5.981 -0.901 1.00 1.12 C ATOM 630 C LYS A 39 -7.632 -7.114 0.069 1.00 1.31 C ATOM 631 O LYS A 39 -8.823 -7.380 0.250 1.00 1.45 O ATOM 632 CB LYS A 39 -7.570 -6.344 -2.352 1.00 1.11 C ATOM 633 CG LYS A 39 -7.913 -5.115 -3.209 1.00 1.23 C ATOM 634 CD LYS A 39 -9.048 -4.218 -2.683 1.00 1.56 C ATOM 635 CE LYS A 39 -10.323 -5.017 -2.381 1.00 2.38 C ATOM 636 NZ LYS A 39 -11.377 -4.146 -1.826 1.00 3.00 N ATOM 0 H LYS A 39 -5.219 -6.310 -1.232 1.00 1.02 H new ATOM 0 HA LYS A 39 -7.851 -5.150 -0.530 1.00 1.12 H new ATOM 0 HB2 LYS A 39 -6.715 -6.860 -2.790 1.00 1.11 H new ATOM 0 HB3 LYS A 39 -8.408 -7.041 -2.372 1.00 1.11 H new ATOM 0 HG2 LYS A 39 -7.014 -4.507 -3.311 1.00 1.23 H new ATOM 0 HG3 LYS A 39 -8.182 -5.458 -4.208 1.00 1.23 H new ATOM 0 HD2 LYS A 39 -8.717 -3.709 -1.778 1.00 1.56 H new ATOM 0 HD3 LYS A 39 -9.270 -3.446 -3.420 1.00 1.56 H new ATOM 0 HE2 LYS A 39 -10.683 -5.492 -3.294 1.00 2.38 H new ATOM 0 HE3 LYS A 39 -10.097 -5.815 -1.674 1.00 2.38 H new ATOM 0 HZ1 LYS A 39 -12.295 -4.632 -1.883 1.00 3.00 H new ATOM 0 HZ2 LYS A 39 -11.161 -3.930 -0.832 1.00 3.00 H new ATOM 0 HZ3 LYS A 39 -11.419 -3.261 -2.371 1.00 3.00 H new ATOM 650 N LYS A 40 -6.648 -7.805 0.646 1.00 1.40 N ATOM 651 CA LYS A 40 -6.807 -8.915 1.592 1.00 1.72 C ATOM 652 C LYS A 40 -6.801 -8.476 3.058 1.00 1.92 C ATOM 653 O LYS A 40 -7.613 -8.987 3.824 1.00 2.33 O ATOM 654 CB LYS A 40 -5.700 -9.943 1.372 1.00 1.78 C ATOM 655 CG LYS A 40 -6.086 -10.983 0.313 1.00 1.98 C ATOM 656 CD LYS A 40 -5.050 -12.100 0.402 1.00 2.60 C ATOM 657 CE LYS A 40 -5.448 -13.400 -0.318 1.00 2.99 C ATOM 658 NZ LYS A 40 -5.265 -13.348 -1.786 1.00 3.49 N ATOM 0 H LYS A 40 -5.667 -7.596 0.458 1.00 1.40 H new ATOM 0 HA LYS A 40 -7.787 -9.348 1.394 1.00 1.72 H new ATOM 0 HB2 LYS A 40 -4.787 -9.433 1.064 1.00 1.78 H new ATOM 0 HB3 LYS A 40 -5.481 -10.447 2.313 1.00 1.78 H new ATOM 0 HG2 LYS A 40 -7.089 -11.369 0.496 1.00 1.98 H new ATOM 0 HG3 LYS A 40 -6.092 -10.539 -0.682 1.00 1.98 H new ATOM 0 HD2 LYS A 40 -4.110 -11.741 -0.017 1.00 2.60 H new ATOM 0 HD3 LYS A 40 -4.865 -12.324 1.453 1.00 2.60 H new ATOM 0 HE2 LYS A 40 -4.857 -14.223 0.084 1.00 2.99 H new ATOM 0 HE3 LYS A 40 -6.493 -13.621 -0.099 1.00 2.99 H new ATOM 0 HZ1 LYS A 40 -5.646 -14.216 -2.214 1.00 3.49 H new ATOM 0 HZ2 LYS A 40 -5.768 -12.523 -2.170 1.00 3.49 H new ATOM 0 HZ3 LYS A 40 -4.252 -13.269 -2.007 1.00 3.49 H new ATOM 672 N GLU A 41 -5.890 -7.576 3.453 1.00 1.72 N ATOM 673 CA GLU A 41 -6.017 -6.882 4.748 1.00 1.90 C ATOM 674 C GLU A 41 -6.748 -5.540 4.614 1.00 2.06 C ATOM 675 O GLU A 41 -7.617 -5.260 5.439 1.00 2.74 O ATOM 676 CB GLU A 41 -4.681 -6.796 5.512 1.00 1.94 C ATOM 677 CG GLU A 41 -3.661 -5.749 5.051 1.00 1.71 C ATOM 678 CD GLU A 41 -3.995 -4.322 5.488 1.00 3.28 C ATOM 679 OE1 GLU A 41 -4.186 -4.079 6.706 1.00 4.10 O ATOM 680 OE2 GLU A 41 -4.028 -3.445 4.610 1.00 4.57 O ATOM 0 H GLU A 41 -5.069 -7.313 2.907 1.00 1.72 H new ATOM 0 HA GLU A 41 -6.656 -7.500 5.379 1.00 1.90 H new ATOM 0 HB2 GLU A 41 -4.907 -6.605 6.561 1.00 1.94 H new ATOM 0 HB3 GLU A 41 -4.203 -7.774 5.462 1.00 1.94 H new ATOM 0 HG2 GLU A 41 -2.679 -6.017 5.441 1.00 1.71 H new ATOM 0 HG3 GLU A 41 -3.591 -5.778 3.964 1.00 1.71 H new ATOM 687 N LEU A 42 -6.467 -4.743 3.572 1.00 1.66 N ATOM 688 CA LEU A 42 -7.159 -3.482 3.350 1.00 1.65 C ATOM 689 C LEU A 42 -8.494 -3.744 2.664 1.00 1.65 C ATOM 690 O LEU A 42 -8.605 -4.407 1.633 1.00 1.99 O ATOM 691 CB LEU A 42 -6.307 -2.431 2.611 1.00 1.66 C ATOM 692 CG LEU A 42 -6.127 -1.119 3.401 1.00 1.65 C ATOM 693 CD1 LEU A 42 -5.237 -0.155 2.603 1.00 2.11 C ATOM 694 CD2 LEU A 42 -7.474 -0.425 3.677 1.00 2.15 C ATOM 0 H LEU A 42 -5.759 -4.959 2.870 1.00 1.66 H new ATOM 0 HA LEU A 42 -7.350 -3.034 4.325 1.00 1.65 H new ATOM 0 HB2 LEU A 42 -5.326 -2.855 2.398 1.00 1.66 H new ATOM 0 HB3 LEU A 42 -6.773 -2.207 1.651 1.00 1.66 H new ATOM 0 HG LEU A 42 -5.666 -1.374 4.355 1.00 1.65 H new ATOM 0 HD11 LEU A 42 -5.111 0.772 3.163 1.00 2.11 H new ATOM 0 HD12 LEU A 42 -4.262 -0.614 2.436 1.00 2.11 H new ATOM 0 HD13 LEU A 42 -5.705 0.062 1.643 1.00 2.11 H new ATOM 0 HD21 LEU A 42 -7.302 0.495 4.236 1.00 2.15 H new ATOM 0 HD22 LEU A 42 -7.962 -0.189 2.731 1.00 2.15 H new ATOM 0 HD23 LEU A 42 -8.113 -1.089 4.260 1.00 2.15 H new ATOM 706 N CYS A 43 -9.530 -3.167 3.258 1.00 1.57 N ATOM 707 CA CYS A 43 -10.903 -3.209 2.766 1.00 1.64 C ATOM 708 C CYS A 43 -11.087 -2.502 1.412 1.00 2.28 C ATOM 709 O CYS A 43 -11.847 -3.019 0.587 1.00 3.67 O ATOM 710 CB CYS A 43 -11.822 -2.672 3.877 1.00 1.80 C ATOM 711 SG CYS A 43 -11.336 -1.001 4.406 1.00 3.63 S ATOM 0 H CYS A 43 -9.436 -2.638 4.125 1.00 1.57 H new ATOM 0 HA CYS A 43 -11.179 -4.240 2.545 1.00 1.64 H new ATOM 0 HB2 CYS A 43 -12.852 -2.655 3.520 1.00 1.80 H new ATOM 0 HB3 CYS A 43 -11.792 -3.347 4.732 1.00 1.80 H new ATOM 0 HG CYS A 43 -12.141 -0.591 5.341 1.00 3.63 H new ATOM 774 N LYS A 48 -13.395 3.846 -1.697 1.00 2.10 N ATOM 775 CA LYS A 48 -12.646 3.893 -2.949 1.00 2.34 C ATOM 776 C LYS A 48 -12.445 2.496 -3.537 1.00 3.21 C ATOM 777 O LYS A 48 -11.766 1.657 -2.943 1.00 3.96 O ATOM 778 CB LYS A 48 -11.266 4.509 -2.683 1.00 2.38 C ATOM 779 CG LYS A 48 -11.274 6.025 -2.483 1.00 2.51 C ATOM 780 CD LYS A 48 -11.725 6.573 -1.124 1.00 3.39 C ATOM 781 CE LYS A 48 -11.024 5.852 0.039 1.00 4.75 C ATOM 782 NZ LYS A 48 -11.108 6.608 1.314 1.00 6.13 N ATOM 0 HA LYS A 48 -13.215 4.492 -3.660 1.00 2.34 H new ATOM 0 HB2 LYS A 48 -10.838 4.041 -1.796 1.00 2.38 H new ATOM 0 HB3 LYS A 48 -10.608 4.269 -3.519 1.00 2.38 H new ATOM 0 HG2 LYS A 48 -10.265 6.391 -2.672 1.00 2.51 H new ATOM 0 HG3 LYS A 48 -11.919 6.459 -3.248 1.00 2.51 H new ATOM 0 HD2 LYS A 48 -11.511 7.641 -1.073 1.00 3.39 H new ATOM 0 HD3 LYS A 48 -12.805 6.459 -1.025 1.00 3.39 H new ATOM 0 HE2 LYS A 48 -11.472 4.868 0.174 1.00 4.75 H new ATOM 0 HE3 LYS A 48 -9.976 5.693 -0.216 1.00 4.75 H new ATOM 0 HZ1 LYS A 48 -11.090 5.943 2.114 1.00 6.13 H new ATOM 0 HZ2 LYS A 48 -10.300 7.258 1.386 1.00 6.13 H new ATOM 0 HZ3 LYS A 48 -11.994 7.153 1.337 1.00 6.13 H new ATOM 796 N GLU A 49 -12.953 2.298 -4.746 1.00 3.54 N ATOM 797 CA GLU A 49 -12.705 1.151 -5.626 1.00 4.36 C ATOM 798 C GLU A 49 -12.017 1.644 -6.916 1.00 3.66 C ATOM 799 O GLU A 49 -10.898 1.234 -7.214 1.00 4.04 O ATOM 800 CB GLU A 49 -14.015 0.364 -5.897 1.00 5.67 C ATOM 801 CG GLU A 49 -15.357 1.114 -5.772 1.00 5.78 C ATOM 802 CD GLU A 49 -15.423 2.317 -6.706 1.00 5.66 C ATOM 803 OE1 GLU A 49 -15.707 2.117 -7.899 1.00 6.12 O ATOM 804 OE2 GLU A 49 -14.952 3.409 -6.304 1.00 5.70 O ATOM 0 H GLU A 49 -13.590 2.973 -5.170 1.00 3.54 H new ATOM 0 HA GLU A 49 -12.032 0.446 -5.139 1.00 4.36 H new ATOM 0 HB2 GLU A 49 -13.955 -0.044 -6.906 1.00 5.67 H new ATOM 0 HB3 GLU A 49 -14.042 -0.483 -5.211 1.00 5.67 H new ATOM 0 HG2 GLU A 49 -16.177 0.432 -5.999 1.00 5.78 H new ATOM 0 HG3 GLU A 49 -15.494 1.445 -4.743 1.00 5.78 H new ATOM 811 N SER A 50 -12.612 2.630 -7.586 1.00 3.09 N ATOM 812 CA SER A 50 -12.208 3.399 -8.780 1.00 2.53 C ATOM 813 C SER A 50 -10.947 4.268 -8.581 1.00 2.19 C ATOM 814 O SER A 50 -10.790 5.372 -9.093 1.00 2.28 O ATOM 815 CB SER A 50 -13.424 4.240 -9.209 1.00 3.01 C ATOM 816 OG SER A 50 -13.924 5.035 -8.138 1.00 4.10 O ATOM 0 H SER A 50 -13.521 2.960 -7.262 1.00 3.09 H new ATOM 0 HA SER A 50 -11.914 2.700 -9.563 1.00 2.53 H new ATOM 0 HB2 SER A 50 -13.143 4.886 -10.041 1.00 3.01 H new ATOM 0 HB3 SER A 50 -14.213 3.580 -9.570 1.00 3.01 H new ATOM 0 HG SER A 50 -14.620 4.538 -7.659 1.00 4.10 H new ATOM 822 N SER A 51 -10.009 3.773 -7.788 1.00 3.18 N ATOM 823 CA SER A 51 -8.673 4.333 -7.571 1.00 3.12 C ATOM 824 C SER A 51 -7.676 3.255 -7.138 1.00 2.89 C ATOM 825 O SER A 51 -6.496 3.358 -7.467 1.00 2.79 O ATOM 826 CB SER A 51 -8.707 5.415 -6.481 1.00 3.73 C ATOM 827 OG SER A 51 -9.735 6.372 -6.677 1.00 4.08 O ATOM 0 H SER A 51 -10.163 2.923 -7.246 1.00 3.18 H new ATOM 0 HA SER A 51 -8.355 4.763 -8.521 1.00 3.12 H new ATOM 0 HB2 SER A 51 -8.843 4.939 -5.510 1.00 3.73 H new ATOM 0 HB3 SER A 51 -7.744 5.925 -6.454 1.00 3.73 H new ATOM 0 HG SER A 51 -9.709 7.033 -5.954 1.00 4.08 H new ATOM 833 N ILE A 52 -8.127 2.204 -6.433 1.00 2.97 N ATOM 834 CA ILE A 52 -7.272 1.046 -6.140 1.00 2.83 C ATOM 835 C ILE A 52 -7.190 0.091 -7.330 1.00 2.48 C ATOM 836 O ILE A 52 -6.158 -0.553 -7.458 1.00 2.32 O ATOM 837 CB ILE A 52 -7.631 0.362 -4.797 1.00 3.24 C ATOM 838 CG1 ILE A 52 -9.070 -0.170 -4.623 1.00 3.19 C ATOM 839 CG2 ILE A 52 -7.325 1.340 -3.646 1.00 3.75 C ATOM 840 CD1 ILE A 52 -9.415 -1.391 -5.480 1.00 2.98 C ATOM 0 H ILE A 52 -9.073 2.134 -6.058 1.00 2.97 H new ATOM 0 HA ILE A 52 -6.258 1.417 -5.991 1.00 2.83 H new ATOM 0 HB ILE A 52 -7.015 -0.537 -4.788 1.00 3.24 H new ATOM 0 HG12 ILE A 52 -9.223 -0.426 -3.574 1.00 3.19 H new ATOM 0 HG13 ILE A 52 -9.769 0.632 -4.861 1.00 3.19 H new ATOM 0 HG21 ILE A 52 -7.573 0.871 -2.694 1.00 3.75 H new ATOM 0 HG22 ILE A 52 -6.266 1.597 -3.659 1.00 3.75 H new ATOM 0 HG23 ILE A 52 -7.919 2.245 -3.770 1.00 3.75 H new ATOM 0 HD11 ILE A 52 -10.445 -1.691 -5.288 1.00 2.98 H new ATOM 0 HD12 ILE A 52 -9.300 -1.140 -6.534 1.00 2.98 H new ATOM 0 HD13 ILE A 52 -8.745 -2.213 -5.228 1.00 2.98 H new ATOM 852 N ASP A 53 -8.196 0.061 -8.216 1.00 2.37 N ATOM 853 CA ASP A 53 -8.117 -0.591 -9.530 1.00 1.90 C ATOM 854 C ASP A 53 -6.929 -0.048 -10.324 1.00 1.64 C ATOM 855 O ASP A 53 -5.953 -0.767 -10.495 1.00 1.72 O ATOM 856 CB ASP A 53 -9.431 -0.426 -10.326 1.00 1.82 C ATOM 857 CG ASP A 53 -9.243 -0.659 -11.841 1.00 2.31 C ATOM 858 OD1 ASP A 53 -8.686 -1.706 -12.255 1.00 3.11 O ATOM 859 OD2 ASP A 53 -9.548 0.262 -12.625 1.00 3.20 O ATOM 0 H ASP A 53 -9.101 0.496 -8.036 1.00 2.37 H new ATOM 0 HA ASP A 53 -7.967 -1.658 -9.365 1.00 1.90 H new ATOM 0 HB2 ASP A 53 -10.173 -1.127 -9.944 1.00 1.82 H new ATOM 0 HB3 ASP A 53 -9.826 0.577 -10.163 1.00 1.82 H new ATOM 864 N ASP A 54 -6.993 1.192 -10.824 1.00 1.61 N ATOM 865 CA ASP A 54 -6.119 1.606 -11.928 1.00 1.49 C ATOM 866 C ASP A 54 -4.622 1.484 -11.603 1.00 1.13 C ATOM 867 O ASP A 54 -3.825 1.037 -12.432 1.00 1.07 O ATOM 868 CB ASP A 54 -6.520 3.005 -12.421 1.00 1.91 C ATOM 869 CG ASP A 54 -6.222 3.153 -13.917 1.00 2.47 C ATOM 870 OD1 ASP A 54 -6.857 2.398 -14.694 1.00 3.66 O ATOM 871 OD2 ASP A 54 -5.352 3.975 -14.278 1.00 2.49 O ATOM 0 H ASP A 54 -7.629 1.915 -10.489 1.00 1.61 H new ATOM 0 HA ASP A 54 -6.269 0.905 -12.749 1.00 1.49 H new ATOM 0 HB2 ASP A 54 -7.582 3.171 -12.237 1.00 1.91 H new ATOM 0 HB3 ASP A 54 -5.977 3.765 -11.859 1.00 1.91 H new ATOM 876 N LEU A 55 -4.272 1.755 -10.341 1.00 1.10 N ATOM 877 CA LEU A 55 -2.918 1.603 -9.814 1.00 0.93 C ATOM 878 C LEU A 55 -2.508 0.130 -9.654 1.00 0.98 C ATOM 879 O LEU A 55 -1.432 -0.252 -10.121 1.00 1.01 O ATOM 880 CB LEU A 55 -2.810 2.387 -8.492 1.00 0.90 C ATOM 881 CG LEU A 55 -3.212 3.874 -8.576 1.00 1.02 C ATOM 882 CD1 LEU A 55 -3.053 4.519 -7.196 1.00 1.12 C ATOM 883 CD2 LEU A 55 -2.370 4.655 -9.600 1.00 1.18 C ATOM 0 H LEU A 55 -4.938 2.093 -9.646 1.00 1.10 H new ATOM 0 HA LEU A 55 -2.212 2.016 -10.534 1.00 0.93 H new ATOM 0 HB2 LEU A 55 -3.438 1.899 -7.746 1.00 0.90 H new ATOM 0 HB3 LEU A 55 -1.782 2.325 -8.134 1.00 0.90 H new ATOM 0 HG LEU A 55 -4.250 3.914 -8.906 1.00 1.02 H new ATOM 0 HD11 LEU A 55 -3.336 5.570 -7.251 1.00 1.12 H new ATOM 0 HD12 LEU A 55 -3.695 4.007 -6.479 1.00 1.12 H new ATOM 0 HD13 LEU A 55 -2.015 4.439 -6.875 1.00 1.12 H new ATOM 0 HD21 LEU A 55 -2.694 5.696 -9.619 1.00 1.18 H new ATOM 0 HD22 LEU A 55 -1.318 4.607 -9.318 1.00 1.18 H new ATOM 0 HD23 LEU A 55 -2.501 4.216 -10.589 1.00 1.18 H new ATOM 895 N MET A 56 -3.346 -0.734 -9.056 1.00 1.23 N ATOM 896 CA MET A 56 -3.031 -2.174 -8.899 1.00 1.56 C ATOM 897 C MET A 56 -2.962 -2.915 -10.245 1.00 1.48 C ATOM 898 O MET A 56 -2.140 -3.806 -10.471 1.00 1.57 O ATOM 899 CB MET A 56 -4.032 -2.837 -7.935 1.00 2.12 C ATOM 900 CG MET A 56 -5.347 -3.365 -8.558 1.00 2.36 C ATOM 901 SD MET A 56 -6.386 -4.475 -7.575 1.00 2.81 S ATOM 902 CE MET A 56 -6.239 -3.702 -5.951 1.00 2.03 C ATOM 0 H MET A 56 -4.251 -0.464 -8.671 1.00 1.23 H new ATOM 0 HA MET A 56 -2.033 -2.246 -8.466 1.00 1.56 H new ATOM 0 HB2 MET A 56 -3.530 -3.670 -7.442 1.00 2.12 H new ATOM 0 HB3 MET A 56 -4.288 -2.115 -7.160 1.00 2.12 H new ATOM 0 HG2 MET A 56 -5.953 -2.502 -8.834 1.00 2.36 H new ATOM 0 HG3 MET A 56 -5.091 -3.883 -9.482 1.00 2.36 H new ATOM 0 HE1 MET A 56 -7.183 -3.800 -5.414 1.00 2.03 H new ATOM 0 HE2 MET A 56 -5.447 -4.192 -5.385 1.00 2.03 H new ATOM 0 HE3 MET A 56 -5.999 -2.646 -6.071 1.00 2.03 H new ATOM 912 N LYS A 57 -3.814 -2.468 -11.160 1.00 1.42 N ATOM 913 CA LYS A 57 -3.947 -2.845 -12.560 1.00 1.37 C ATOM 914 C LYS A 57 -2.778 -2.306 -13.406 1.00 1.19 C ATOM 915 O LYS A 57 -2.600 -2.778 -14.528 1.00 1.39 O ATOM 916 CB LYS A 57 -5.359 -2.380 -12.954 1.00 1.85 C ATOM 917 CG LYS A 57 -5.927 -2.840 -14.302 1.00 1.76 C ATOM 918 CD LYS A 57 -5.744 -1.817 -15.430 1.00 2.39 C ATOM 919 CE LYS A 57 -6.228 -0.391 -15.102 1.00 3.72 C ATOM 920 NZ LYS A 57 -7.609 -0.303 -14.550 1.00 4.58 N ATOM 0 H LYS A 57 -4.501 -1.757 -10.911 1.00 1.42 H new ATOM 0 HA LYS A 57 -3.867 -3.916 -12.744 1.00 1.37 H new ATOM 0 HB2 LYS A 57 -6.046 -2.708 -12.174 1.00 1.85 H new ATOM 0 HB3 LYS A 57 -5.364 -1.290 -12.946 1.00 1.85 H new ATOM 0 HG2 LYS A 57 -5.445 -3.774 -14.589 1.00 1.76 H new ATOM 0 HG3 LYS A 57 -6.990 -3.052 -14.185 1.00 1.76 H new ATOM 0 HD2 LYS A 57 -4.687 -1.774 -15.693 1.00 2.39 H new ATOM 0 HD3 LYS A 57 -6.278 -2.172 -16.312 1.00 2.39 H new ATOM 0 HE2 LYS A 57 -5.538 0.054 -14.385 1.00 3.72 H new ATOM 0 HE3 LYS A 57 -6.177 0.211 -16.009 1.00 3.72 H new ATOM 0 HZ1 LYS A 57 -7.784 0.662 -14.204 1.00 4.58 H new ATOM 0 HZ2 LYS A 57 -8.296 -0.534 -15.296 1.00 4.58 H new ATOM 0 HZ3 LYS A 57 -7.712 -0.976 -13.764 1.00 4.58 H new ATOM 934 N SER A 58 -1.925 -1.437 -12.856 1.00 1.20 N ATOM 935 CA SER A 58 -0.579 -1.127 -13.358 1.00 1.33 C ATOM 936 C SER A 58 0.494 -2.103 -12.817 1.00 1.41 C ATOM 937 O SER A 58 1.302 -2.607 -13.599 1.00 1.85 O ATOM 938 CB SER A 58 -0.232 0.328 -13.007 1.00 1.35 C ATOM 939 OG SER A 58 0.850 0.782 -13.797 1.00 1.86 O ATOM 0 H SER A 58 -2.160 -0.908 -12.016 1.00 1.20 H new ATOM 0 HA SER A 58 -0.583 -1.251 -14.441 1.00 1.33 H new ATOM 0 HB2 SER A 58 -1.101 0.965 -13.169 1.00 1.35 H new ATOM 0 HB3 SER A 58 0.025 0.402 -11.950 1.00 1.35 H new ATOM 0 HG SER A 58 1.058 1.711 -13.563 1.00 1.86 H new ATOM 945 N LEU A 59 0.478 -2.442 -11.511 1.00 1.20 N ATOM 946 CA LEU A 59 1.426 -3.400 -10.895 1.00 1.28 C ATOM 947 C LEU A 59 1.447 -4.750 -11.642 1.00 1.43 C ATOM 948 O LEU A 59 2.494 -5.246 -12.066 1.00 1.51 O ATOM 949 CB LEU A 59 1.071 -3.601 -9.398 1.00 1.34 C ATOM 950 CG LEU A 59 1.043 -2.343 -8.504 1.00 1.21 C ATOM 951 CD1 LEU A 59 0.751 -2.767 -7.056 1.00 1.32 C ATOM 952 CD2 LEU A 59 2.355 -1.551 -8.570 1.00 1.31 C ATOM 0 H LEU A 59 -0.196 -2.058 -10.849 1.00 1.20 H new ATOM 0 HA LEU A 59 2.429 -2.980 -10.971 1.00 1.28 H new ATOM 0 HB2 LEU A 59 0.091 -4.075 -9.344 1.00 1.34 H new ATOM 0 HB3 LEU A 59 1.789 -4.302 -8.972 1.00 1.34 H new ATOM 0 HG LEU A 59 0.258 -1.683 -8.872 1.00 1.21 H new ATOM 0 HD11 LEU A 59 0.729 -1.885 -6.416 1.00 1.32 H new ATOM 0 HD12 LEU A 59 -0.214 -3.271 -7.012 1.00 1.32 H new ATOM 0 HD13 LEU A 59 1.531 -3.446 -6.711 1.00 1.32 H new ATOM 0 HD21 LEU A 59 2.285 -0.676 -7.924 1.00 1.31 H new ATOM 0 HD22 LEU A 59 3.178 -2.183 -8.237 1.00 1.31 H new ATOM 0 HD23 LEU A 59 2.536 -1.231 -9.596 1.00 1.31 H new ATOM 964 N ASP A 60 0.247 -5.284 -11.864 1.00 1.53 N ATOM 965 CA ASP A 60 -0.112 -6.480 -12.635 1.00 1.65 C ATOM 966 C ASP A 60 0.452 -6.559 -14.077 1.00 1.68 C ATOM 967 O ASP A 60 0.507 -7.645 -14.647 1.00 1.84 O ATOM 968 CB ASP A 60 -1.652 -6.495 -12.636 1.00 1.70 C ATOM 969 CG ASP A 60 -2.287 -7.626 -13.447 1.00 2.12 C ATOM 970 OD1 ASP A 60 -2.061 -8.804 -13.083 1.00 3.11 O ATOM 971 OD2 ASP A 60 -3.011 -7.279 -14.415 1.00 2.78 O ATOM 0 H ASP A 60 -0.585 -4.847 -11.469 1.00 1.53 H new ATOM 0 HA ASP A 60 0.341 -7.353 -12.166 1.00 1.65 H new ATOM 0 HB2 ASP A 60 -2.000 -6.567 -11.606 1.00 1.70 H new ATOM 0 HB3 ASP A 60 -2.009 -5.543 -13.027 1.00 1.70 H new ATOM 976 N LYS A 61 0.874 -5.454 -14.707 1.00 1.65 N ATOM 977 CA LYS A 61 1.285 -5.471 -16.126 1.00 1.76 C ATOM 978 C LYS A 61 2.662 -6.079 -16.401 1.00 1.70 C ATOM 979 O LYS A 61 2.920 -6.504 -17.525 1.00 1.88 O ATOM 980 CB LYS A 61 1.167 -4.069 -16.736 1.00 1.90 C ATOM 981 CG LYS A 61 -0.184 -3.354 -16.577 1.00 2.33 C ATOM 982 CD LYS A 61 -1.318 -3.914 -17.454 1.00 3.32 C ATOM 983 CE LYS A 61 -1.863 -5.254 -16.944 1.00 5.12 C ATOM 984 NZ LYS A 61 -3.029 -5.101 -16.046 1.00 6.59 N ATOM 0 H LYS A 61 0.941 -4.538 -14.262 1.00 1.65 H new ATOM 0 HA LYS A 61 0.586 -6.149 -16.617 1.00 1.76 H new ATOM 0 HB2 LYS A 61 1.938 -3.440 -16.292 1.00 1.90 H new ATOM 0 HB3 LYS A 61 1.389 -4.142 -17.801 1.00 1.90 H new ATOM 0 HG2 LYS A 61 -0.489 -3.412 -15.532 1.00 2.33 H new ATOM 0 HG3 LYS A 61 -0.050 -2.298 -16.812 1.00 2.33 H new ATOM 0 HD2 LYS A 61 -2.131 -3.189 -17.494 1.00 3.32 H new ATOM 0 HD3 LYS A 61 -0.953 -4.041 -18.473 1.00 3.32 H new ATOM 0 HE2 LYS A 61 -2.146 -5.872 -17.796 1.00 5.12 H new ATOM 0 HE3 LYS A 61 -1.071 -5.784 -16.415 1.00 5.12 H new ATOM 0 HZ1 LYS A 61 -3.216 -6.003 -15.563 1.00 6.59 H new ATOM 0 HZ2 LYS A 61 -2.829 -4.365 -15.339 1.00 6.59 H new ATOM 0 HZ3 LYS A 61 -3.863 -4.828 -16.604 1.00 6.59 H new ATOM 998 N ASN A 62 3.537 -6.155 -15.402 1.00 1.64 N ATOM 999 CA ASN A 62 4.737 -7.012 -15.451 1.00 1.81 C ATOM 1000 C ASN A 62 4.753 -8.076 -14.335 1.00 1.85 C ATOM 1001 O ASN A 62 5.516 -9.029 -14.427 1.00 2.68 O ATOM 1002 CB ASN A 62 6.002 -6.140 -15.424 1.00 2.01 C ATOM 1003 CG ASN A 62 6.477 -5.583 -16.768 1.00 2.41 C ATOM 1004 OD1 ASN A 62 7.604 -5.129 -16.881 1.00 3.41 O ATOM 1005 ND2 ASN A 62 5.685 -5.586 -17.826 1.00 2.74 N ATOM 0 H ASN A 62 3.442 -5.629 -14.533 1.00 1.64 H new ATOM 0 HA ASN A 62 4.712 -7.567 -16.389 1.00 1.81 H new ATOM 0 HB2 ASN A 62 5.824 -5.301 -14.751 1.00 2.01 H new ATOM 0 HB3 ASN A 62 6.812 -6.728 -14.993 1.00 2.01 H new ATOM 0 HD21 ASN A 62 6.020 -5.214 -18.715 1.00 2.74 H new ATOM 0 HD22 ASN A 62 4.739 -5.961 -17.754 1.00 2.74 H new ATOM 1012 N SER A 63 3.898 -7.945 -13.317 1.00 1.38 N ATOM 1013 CA SER A 63 3.399 -8.978 -12.395 1.00 1.43 C ATOM 1014 C SER A 63 4.383 -9.667 -11.436 1.00 1.27 C ATOM 1015 O SER A 63 4.139 -9.677 -10.228 1.00 1.29 O ATOM 1016 CB SER A 63 2.586 -10.011 -13.206 1.00 1.93 C ATOM 1017 OG SER A 63 2.082 -11.093 -12.462 1.00 2.80 O ATOM 0 H SER A 63 3.500 -7.033 -13.094 1.00 1.38 H new ATOM 0 HA SER A 63 2.789 -8.419 -11.685 1.00 1.43 H new ATOM 0 HB2 SER A 63 1.751 -9.498 -13.683 1.00 1.93 H new ATOM 0 HB3 SER A 63 3.218 -10.402 -14.003 1.00 1.93 H new ATOM 0 HG SER A 63 2.826 -11.647 -12.145 1.00 2.80 H new ATOM 1023 N ASP A 64 5.474 -10.240 -11.935 1.00 1.37 N ATOM 1024 CA ASP A 64 6.203 -11.323 -11.256 1.00 1.47 C ATOM 1025 C ASP A 64 7.630 -10.897 -10.898 1.00 1.47 C ATOM 1026 O ASP A 64 8.383 -11.624 -10.261 1.00 2.03 O ATOM 1027 CB ASP A 64 6.175 -12.576 -12.152 1.00 1.89 C ATOM 1028 CG ASP A 64 4.753 -13.079 -12.451 1.00 2.36 C ATOM 1029 OD1 ASP A 64 3.829 -12.769 -11.660 1.00 2.95 O ATOM 1030 OD2 ASP A 64 4.572 -13.746 -13.490 1.00 3.22 O ATOM 0 H ASP A 64 5.886 -9.969 -12.828 1.00 1.37 H new ATOM 0 HA ASP A 64 5.714 -11.558 -10.310 1.00 1.47 H new ATOM 0 HB2 ASP A 64 6.679 -12.353 -13.092 1.00 1.89 H new ATOM 0 HB3 ASP A 64 6.740 -13.373 -11.668 1.00 1.89 H new ATOM 1035 N GLN A 65 7.962 -9.662 -11.267 1.00 1.30 N ATOM 1036 CA GLN A 65 9.077 -8.898 -10.742 1.00 1.21 C ATOM 1037 C GLN A 65 8.832 -8.514 -9.280 1.00 0.96 C ATOM 1038 O GLN A 65 7.685 -8.399 -8.844 1.00 0.89 O ATOM 1039 CB GLN A 65 9.303 -7.603 -11.549 1.00 1.39 C ATOM 1040 CG GLN A 65 8.291 -7.231 -12.646 1.00 1.41 C ATOM 1041 CD GLN A 65 8.475 -5.788 -13.116 1.00 2.03 C ATOM 1042 OE1 GLN A 65 7.613 -4.942 -12.942 1.00 2.60 O ATOM 1043 NE2 GLN A 65 9.577 -5.436 -13.741 1.00 2.88 N ATOM 0 H GLN A 65 7.433 -9.149 -11.972 1.00 1.30 H new ATOM 0 HA GLN A 65 9.959 -9.533 -10.820 1.00 1.21 H new ATOM 0 HB2 GLN A 65 9.343 -6.775 -10.841 1.00 1.39 H new ATOM 0 HB3 GLN A 65 10.286 -7.671 -12.015 1.00 1.39 H new ATOM 0 HG2 GLN A 65 8.406 -7.908 -13.493 1.00 1.41 H new ATOM 0 HG3 GLN A 65 7.278 -7.364 -12.267 1.00 1.41 H new ATOM 0 HE21 GLN A 65 10.314 -6.122 -13.900 1.00 2.88 H new ATOM 0 HE22 GLN A 65 9.694 -4.476 -14.066 1.00 2.88 H new ATOM 1052 N GLU A 66 9.917 -8.225 -8.566 1.00 0.94 N ATOM 1053 CA GLU A 66 9.885 -7.780 -7.183 1.00 0.83 C ATOM 1054 C GLU A 66 9.633 -6.266 -7.045 1.00 0.78 C ATOM 1055 O GLU A 66 10.069 -5.455 -7.861 1.00 0.92 O ATOM 1056 CB GLU A 66 11.196 -8.191 -6.486 1.00 0.91 C ATOM 1057 CG GLU A 66 11.191 -9.677 -6.103 1.00 1.10 C ATOM 1058 CD GLU A 66 12.572 -10.126 -5.623 1.00 1.48 C ATOM 1059 OE1 GLU A 66 13.430 -10.353 -6.498 1.00 2.09 O ATOM 1060 OE2 GLU A 66 12.773 -10.217 -4.388 1.00 2.49 O ATOM 0 H GLU A 66 10.861 -8.297 -8.945 1.00 0.94 H new ATOM 0 HA GLU A 66 9.041 -8.267 -6.695 1.00 0.83 H new ATOM 0 HB2 GLU A 66 12.039 -7.988 -7.147 1.00 0.91 H new ATOM 0 HB3 GLU A 66 11.339 -7.585 -5.591 1.00 0.91 H new ATOM 0 HG2 GLU A 66 10.455 -9.851 -5.318 1.00 1.10 H new ATOM 0 HG3 GLU A 66 10.888 -10.276 -6.962 1.00 1.10 H new ATOM 1067 N ILE A 67 8.916 -5.895 -5.986 1.00 0.68 N ATOM 1068 CA ILE A 67 8.725 -4.530 -5.486 1.00 0.70 C ATOM 1069 C ILE A 67 9.371 -4.409 -4.108 1.00 0.66 C ATOM 1070 O ILE A 67 9.158 -5.286 -3.270 1.00 0.70 O ATOM 1071 CB ILE A 67 7.210 -4.218 -5.367 1.00 0.83 C ATOM 1072 CG1 ILE A 67 6.578 -4.196 -6.770 1.00 1.53 C ATOM 1073 CG2 ILE A 67 7.013 -2.888 -4.622 1.00 2.02 C ATOM 1074 CD1 ILE A 67 5.077 -3.880 -6.799 1.00 1.83 C ATOM 0 H ILE A 67 8.421 -6.581 -5.417 1.00 0.68 H new ATOM 0 HA ILE A 67 9.184 -3.824 -6.178 1.00 0.70 H new ATOM 0 HB ILE A 67 6.709 -4.995 -4.790 1.00 0.83 H new ATOM 0 HG12 ILE A 67 7.102 -3.457 -7.377 1.00 1.53 H new ATOM 0 HG13 ILE A 67 6.739 -5.166 -7.240 1.00 1.53 H new ATOM 0 HG21 ILE A 67 5.948 -2.671 -4.540 1.00 2.02 H new ATOM 0 HG22 ILE A 67 7.446 -2.962 -3.625 1.00 2.02 H new ATOM 0 HG23 ILE A 67 7.505 -2.086 -5.173 1.00 2.02 H new ATOM 0 HD11 ILE A 67 4.723 -3.887 -7.830 1.00 1.83 H new ATOM 0 HD12 ILE A 67 4.536 -4.632 -6.224 1.00 1.83 H new ATOM 0 HD13 ILE A 67 4.904 -2.896 -6.363 1.00 1.83 H new ATOM 1086 N ASP A 68 10.076 -3.304 -3.846 1.00 0.69 N ATOM 1087 CA ASP A 68 10.563 -2.934 -2.516 1.00 0.72 C ATOM 1088 C ASP A 68 9.616 -1.957 -1.789 1.00 0.75 C ATOM 1089 O ASP A 68 8.780 -1.289 -2.402 1.00 1.08 O ATOM 1090 CB ASP A 68 11.978 -2.335 -2.629 1.00 0.87 C ATOM 1091 CG ASP A 68 11.994 -0.889 -3.130 1.00 1.04 C ATOM 1092 OD1 ASP A 68 11.861 -0.649 -4.350 1.00 2.41 O ATOM 1093 OD2 ASP A 68 12.175 0.044 -2.309 1.00 1.63 O ATOM 0 H ASP A 68 10.328 -2.629 -4.568 1.00 0.69 H new ATOM 0 HA ASP A 68 10.596 -3.842 -1.914 1.00 0.72 H new ATOM 0 HB2 ASP A 68 12.460 -2.378 -1.652 1.00 0.87 H new ATOM 0 HB3 ASP A 68 12.571 -2.951 -3.305 1.00 0.87 H new ATOM 1098 N PHE A 69 9.822 -1.835 -0.473 1.00 0.65 N ATOM 1099 CA PHE A 69 9.047 -1.015 0.472 1.00 0.67 C ATOM 1100 C PHE A 69 8.753 0.437 0.008 1.00 0.66 C ATOM 1101 O PHE A 69 7.773 1.044 0.439 1.00 0.68 O ATOM 1102 CB PHE A 69 9.813 -1.066 1.815 1.00 0.75 C ATOM 1103 CG PHE A 69 9.213 -0.344 3.014 1.00 1.38 C ATOM 1104 CD1 PHE A 69 7.825 -0.166 3.139 1.00 2.33 C ATOM 1105 CD2 PHE A 69 10.054 0.138 4.038 1.00 2.75 C ATOM 1106 CE1 PHE A 69 7.285 0.545 4.222 1.00 3.18 C ATOM 1107 CE2 PHE A 69 9.514 0.812 5.149 1.00 3.54 C ATOM 1108 CZ PHE A 69 8.127 1.023 5.236 1.00 3.40 C ATOM 0 H PHE A 69 10.580 -2.336 -0.009 1.00 0.65 H new ATOM 0 HA PHE A 69 8.043 -1.431 0.560 1.00 0.67 H new ATOM 0 HB2 PHE A 69 9.939 -2.114 2.087 1.00 0.75 H new ATOM 0 HB3 PHE A 69 10.810 -0.658 1.645 1.00 0.75 H new ATOM 0 HD1 PHE A 69 7.165 -0.582 2.392 1.00 2.33 H new ATOM 0 HD2 PHE A 69 11.121 -0.011 3.969 1.00 2.75 H new ATOM 0 HE1 PHE A 69 6.221 0.724 4.274 1.00 3.18 H new ATOM 0 HE2 PHE A 69 10.165 1.167 5.934 1.00 3.54 H new ATOM 0 HZ PHE A 69 7.711 1.552 6.081 1.00 3.40 H new ATOM 1118 N LYS A 70 9.525 0.998 -0.925 1.00 0.68 N ATOM 1119 CA LYS A 70 9.342 2.342 -1.470 1.00 0.69 C ATOM 1120 C LYS A 70 8.108 2.465 -2.361 1.00 0.65 C ATOM 1121 O LYS A 70 7.333 3.404 -2.159 1.00 0.66 O ATOM 1122 CB LYS A 70 10.600 2.622 -2.274 1.00 0.77 C ATOM 1123 CG LYS A 70 10.712 4.017 -2.894 1.00 1.51 C ATOM 1124 CD LYS A 70 12.039 4.123 -3.658 1.00 1.85 C ATOM 1125 CE LYS A 70 12.136 3.051 -4.757 1.00 3.18 C ATOM 1126 NZ LYS A 70 12.889 1.841 -4.326 1.00 3.49 N ATOM 0 H LYS A 70 10.322 0.511 -1.335 1.00 0.68 H new ATOM 0 HA LYS A 70 9.183 3.056 -0.662 1.00 0.69 H new ATOM 0 HB2 LYS A 70 11.462 2.465 -1.626 1.00 0.77 H new ATOM 0 HB3 LYS A 70 10.665 1.885 -3.075 1.00 0.77 H new ATOM 0 HG2 LYS A 70 9.875 4.197 -3.568 1.00 1.51 H new ATOM 0 HG3 LYS A 70 10.664 4.779 -2.116 1.00 1.51 H new ATOM 0 HD2 LYS A 70 12.127 5.114 -4.104 1.00 1.85 H new ATOM 0 HD3 LYS A 70 12.871 4.012 -2.963 1.00 1.85 H new ATOM 0 HE2 LYS A 70 11.131 2.758 -5.060 1.00 3.18 H new ATOM 0 HE3 LYS A 70 12.621 3.480 -5.634 1.00 3.18 H new ATOM 0 HZ1 LYS A 70 12.438 0.992 -4.723 1.00 3.49 H new ATOM 0 HZ2 LYS A 70 13.870 1.903 -4.666 1.00 3.49 H new ATOM 0 HZ3 LYS A 70 12.886 1.782 -3.288 1.00 3.49 H new ATOM 1140 N GLU A 71 7.916 1.558 -3.329 1.00 0.68 N ATOM 1141 CA GLU A 71 6.706 1.638 -4.150 1.00 0.73 C ATOM 1142 C GLU A 71 5.479 1.410 -3.262 1.00 0.70 C ATOM 1143 O GLU A 71 4.452 2.053 -3.451 1.00 0.77 O ATOM 1144 CB GLU A 71 6.667 0.695 -5.358 1.00 0.98 C ATOM 1145 CG GLU A 71 7.935 0.712 -6.225 1.00 0.96 C ATOM 1146 CD GLU A 71 7.637 0.410 -7.704 1.00 1.47 C ATOM 1147 OE1 GLU A 71 6.723 -0.396 -7.991 1.00 2.48 O ATOM 1148 OE2 GLU A 71 8.337 0.997 -8.555 1.00 2.30 O ATOM 0 H GLU A 71 8.553 0.794 -3.555 1.00 0.68 H new ATOM 0 HA GLU A 71 6.706 2.639 -4.581 1.00 0.73 H new ATOM 0 HB2 GLU A 71 6.499 -0.322 -5.003 1.00 0.98 H new ATOM 0 HB3 GLU A 71 5.813 0.960 -5.981 1.00 0.98 H new ATOM 0 HG2 GLU A 71 8.414 1.688 -6.145 1.00 0.96 H new ATOM 0 HG3 GLU A 71 8.644 -0.023 -5.842 1.00 0.96 H new ATOM 1155 N TYR A 72 5.612 0.583 -2.220 1.00 0.64 N ATOM 1156 CA TYR A 72 4.521 0.329 -1.275 1.00 0.60 C ATOM 1157 C TYR A 72 4.130 1.593 -0.506 1.00 0.59 C ATOM 1158 O TYR A 72 2.946 1.915 -0.405 1.00 0.58 O ATOM 1159 CB TYR A 72 4.924 -0.798 -0.319 1.00 0.64 C ATOM 1160 CG TYR A 72 3.872 -1.252 0.680 1.00 0.65 C ATOM 1161 CD1 TYR A 72 2.628 -1.740 0.231 1.00 2.03 C ATOM 1162 CD2 TYR A 72 4.188 -1.339 2.051 1.00 1.33 C ATOM 1163 CE1 TYR A 72 1.768 -2.413 1.121 1.00 2.37 C ATOM 1164 CE2 TYR A 72 3.326 -1.994 2.950 1.00 1.22 C ATOM 1165 CZ TYR A 72 2.134 -2.577 2.472 1.00 1.29 C ATOM 1166 OH TYR A 72 1.355 -3.325 3.298 1.00 1.73 O ATOM 0 H TYR A 72 6.471 0.075 -2.009 1.00 0.64 H new ATOM 0 HA TYR A 72 3.641 0.021 -1.839 1.00 0.60 H new ATOM 0 HB2 TYR A 72 5.222 -1.660 -0.915 1.00 0.64 H new ATOM 0 HB3 TYR A 72 5.804 -0.475 0.237 1.00 0.64 H new ATOM 0 HD1 TYR A 72 2.333 -1.598 -0.798 1.00 2.03 H new ATOM 0 HD2 TYR A 72 5.103 -0.897 2.416 1.00 1.33 H new ATOM 0 HE1 TYR A 72 0.826 -2.804 0.767 1.00 2.37 H new ATOM 0 HE2 TYR A 72 3.576 -2.050 3.999 1.00 1.22 H new ATOM 0 HH TYR A 72 1.812 -3.448 4.156 1.00 1.73 H new ATOM 1176 N SER A 73 5.100 2.336 0.025 1.00 0.63 N ATOM 1177 CA SER A 73 4.817 3.545 0.796 1.00 0.64 C ATOM 1178 C SER A 73 4.232 4.665 -0.073 1.00 0.64 C ATOM 1179 O SER A 73 3.265 5.296 0.366 1.00 0.64 O ATOM 1180 CB SER A 73 6.060 4.001 1.564 1.00 0.71 C ATOM 1181 OG SER A 73 7.101 4.408 0.703 1.00 1.15 O ATOM 0 H SER A 73 6.093 2.120 -0.065 1.00 0.63 H new ATOM 0 HA SER A 73 4.047 3.297 1.527 1.00 0.64 H new ATOM 0 HB2 SER A 73 5.794 4.826 2.225 1.00 0.71 H new ATOM 0 HB3 SER A 73 6.412 3.187 2.197 1.00 0.71 H new ATOM 0 HG SER A 73 7.925 4.529 1.220 1.00 1.15 H new ATOM 1187 N VAL A 74 4.726 4.875 -1.303 1.00 0.66 N ATOM 1188 CA VAL A 74 4.145 5.882 -2.214 1.00 0.67 C ATOM 1189 C VAL A 74 2.794 5.470 -2.789 1.00 0.63 C ATOM 1190 O VAL A 74 1.986 6.353 -3.015 1.00 0.64 O ATOM 1191 CB VAL A 74 5.051 6.318 -3.380 1.00 0.76 C ATOM 1192 CG1 VAL A 74 6.362 6.884 -2.848 1.00 0.82 C ATOM 1193 CG2 VAL A 74 5.327 5.232 -4.421 1.00 0.78 C ATOM 0 H VAL A 74 5.521 4.367 -1.691 1.00 0.66 H new ATOM 0 HA VAL A 74 4.022 6.739 -1.551 1.00 0.67 H new ATOM 0 HB VAL A 74 4.490 7.089 -3.908 1.00 0.76 H new ATOM 0 HG11 VAL A 74 6.993 7.188 -3.683 1.00 0.82 H new ATOM 0 HG12 VAL A 74 6.156 7.748 -2.216 1.00 0.82 H new ATOM 0 HG13 VAL A 74 6.877 6.122 -2.264 1.00 0.82 H new ATOM 0 HG21 VAL A 74 5.973 5.633 -5.202 1.00 0.78 H new ATOM 0 HG22 VAL A 74 5.819 4.385 -3.942 1.00 0.78 H new ATOM 0 HG23 VAL A 74 4.386 4.903 -4.862 1.00 0.78 H new ATOM 1203 N PHE A 75 2.512 4.180 -2.994 1.00 0.61 N ATOM 1204 CA PHE A 75 1.215 3.688 -3.469 1.00 0.56 C ATOM 1205 C PHE A 75 0.126 3.922 -2.418 1.00 0.58 C ATOM 1206 O PHE A 75 -0.935 4.461 -2.730 1.00 0.58 O ATOM 1207 CB PHE A 75 1.397 2.202 -3.801 1.00 0.54 C ATOM 1208 CG PHE A 75 0.270 1.532 -4.548 1.00 0.46 C ATOM 1209 CD1 PHE A 75 -0.876 1.071 -3.876 1.00 1.89 C ATOM 1210 CD2 PHE A 75 0.417 1.295 -5.925 1.00 1.75 C ATOM 1211 CE1 PHE A 75 -1.866 0.370 -4.583 1.00 1.90 C ATOM 1212 CE2 PHE A 75 -0.561 0.579 -6.624 1.00 1.79 C ATOM 1213 CZ PHE A 75 -1.704 0.111 -5.956 1.00 0.62 C ATOM 0 H PHE A 75 3.190 3.435 -2.832 1.00 0.61 H new ATOM 0 HA PHE A 75 0.888 4.227 -4.358 1.00 0.56 H new ATOM 0 HB2 PHE A 75 2.308 2.094 -4.390 1.00 0.54 H new ATOM 0 HB3 PHE A 75 1.555 1.662 -2.868 1.00 0.54 H new ATOM 0 HD1 PHE A 75 -0.994 1.256 -2.819 1.00 1.89 H new ATOM 0 HD2 PHE A 75 1.287 1.667 -6.445 1.00 1.75 H new ATOM 0 HE1 PHE A 75 -2.754 0.029 -4.071 1.00 1.90 H new ATOM 0 HE2 PHE A 75 -0.437 0.386 -7.679 1.00 1.79 H new ATOM 0 HZ PHE A 75 -2.456 -0.446 -6.495 1.00 0.62 H new ATOM 1223 N LEU A 76 0.406 3.586 -1.152 1.00 0.61 N ATOM 1224 CA LEU A 76 -0.510 3.837 -0.037 1.00 0.63 C ATOM 1225 C LEU A 76 -0.697 5.340 0.220 1.00 0.62 C ATOM 1226 O LEU A 76 -1.826 5.783 0.428 1.00 0.65 O ATOM 1227 CB LEU A 76 0.025 3.142 1.221 1.00 0.65 C ATOM 1228 CG LEU A 76 0.110 1.605 1.135 1.00 0.66 C ATOM 1229 CD1 LEU A 76 0.943 1.093 2.318 1.00 0.95 C ATOM 1230 CD2 LEU A 76 -1.280 0.959 1.126 1.00 0.72 C ATOM 0 H LEU A 76 1.276 3.132 -0.874 1.00 0.61 H new ATOM 0 HA LEU A 76 -1.488 3.431 -0.297 1.00 0.63 H new ATOM 0 HB2 LEU A 76 1.019 3.533 1.438 1.00 0.65 H new ATOM 0 HB3 LEU A 76 -0.614 3.408 2.063 1.00 0.65 H new ATOM 0 HG LEU A 76 0.590 1.328 0.196 1.00 0.66 H new ATOM 0 HD11 LEU A 76 1.012 0.006 2.271 1.00 0.95 H new ATOM 0 HD12 LEU A 76 1.944 1.523 2.271 1.00 0.95 H new ATOM 0 HD13 LEU A 76 0.466 1.386 3.253 1.00 0.95 H new ATOM 0 HD21 LEU A 76 -1.177 -0.124 1.065 1.00 0.72 H new ATOM 0 HD22 LEU A 76 -1.809 1.222 2.042 1.00 0.72 H new ATOM 0 HD23 LEU A 76 -1.843 1.319 0.265 1.00 0.72 H new ATOM 1242 N THR A 77 0.400 6.110 0.149 1.00 0.61 N ATOM 1243 CA THR A 77 0.383 7.577 0.231 1.00 0.61 C ATOM 1244 C THR A 77 -0.466 8.168 -0.891 1.00 0.62 C ATOM 1245 O THR A 77 -1.361 8.963 -0.621 1.00 0.65 O ATOM 1246 CB THR A 77 1.811 8.127 0.204 1.00 0.65 C ATOM 1247 OG1 THR A 77 2.480 7.704 1.360 1.00 0.70 O ATOM 1248 CG2 THR A 77 1.813 9.650 0.183 1.00 0.75 C ATOM 0 H THR A 77 1.337 5.724 0.031 1.00 0.61 H new ATOM 0 HA THR A 77 -0.071 7.872 1.177 1.00 0.61 H new ATOM 0 HB THR A 77 2.304 7.759 -0.696 1.00 0.65 H new ATOM 0 HG1 THR A 77 2.857 6.812 1.212 1.00 0.70 H new ATOM 0 HG21 THR A 77 2.841 10.012 0.164 1.00 0.75 H new ATOM 0 HG22 THR A 77 1.288 10.002 -0.705 1.00 0.75 H new ATOM 0 HG23 THR A 77 1.312 10.027 1.075 1.00 0.75 H new ATOM 1256 N MET A 78 -0.222 7.751 -2.132 1.00 0.62 N ATOM 1257 CA MET A 78 -0.934 8.171 -3.344 1.00 0.62 C ATOM 1258 C MET A 78 -2.432 7.889 -3.259 1.00 0.65 C ATOM 1259 O MET A 78 -3.222 8.756 -3.628 1.00 0.71 O ATOM 1260 CB MET A 78 -0.284 7.473 -4.550 1.00 0.62 C ATOM 1261 CG MET A 78 -0.999 7.698 -5.879 1.00 1.14 C ATOM 1262 SD MET A 78 0.013 7.409 -7.358 1.00 1.26 S ATOM 1263 CE MET A 78 0.854 5.860 -6.933 1.00 1.09 C ATOM 0 H MET A 78 0.516 7.076 -2.333 1.00 0.62 H new ATOM 0 HA MET A 78 -0.849 9.252 -3.458 1.00 0.62 H new ATOM 0 HB2 MET A 78 0.745 7.821 -4.643 1.00 0.62 H new ATOM 0 HB3 MET A 78 -0.241 6.402 -4.353 1.00 0.62 H new ATOM 0 HG2 MET A 78 -1.870 7.044 -5.920 1.00 1.14 H new ATOM 0 HG3 MET A 78 -1.369 8.723 -5.906 1.00 1.14 H new ATOM 0 HE1 MET A 78 1.232 5.390 -7.841 1.00 1.09 H new ATOM 0 HE2 MET A 78 1.686 6.070 -6.260 1.00 1.09 H new ATOM 0 HE3 MET A 78 0.151 5.187 -6.442 1.00 1.09 H new ATOM 1273 N LEU A 79 -2.834 6.733 -2.724 1.00 0.67 N ATOM 1274 CA LEU A 79 -4.247 6.453 -2.489 1.00 0.80 C ATOM 1275 C LEU A 79 -4.824 7.345 -1.384 1.00 0.83 C ATOM 1276 O LEU A 79 -5.882 7.928 -1.581 1.00 0.94 O ATOM 1277 CB LEU A 79 -4.459 4.960 -2.180 1.00 0.96 C ATOM 1278 CG LEU A 79 -5.702 4.358 -2.866 1.00 1.23 C ATOM 1279 CD1 LEU A 79 -7.000 5.164 -2.716 1.00 1.91 C ATOM 1280 CD2 LEU A 79 -5.420 4.142 -4.357 1.00 2.60 C ATOM 0 H LEU A 79 -2.202 5.981 -2.448 1.00 0.67 H new ATOM 0 HA LEU A 79 -4.792 6.689 -3.403 1.00 0.80 H new ATOM 0 HB2 LEU A 79 -3.576 4.404 -2.494 1.00 0.96 H new ATOM 0 HB3 LEU A 79 -4.551 4.830 -1.102 1.00 0.96 H new ATOM 0 HG LEU A 79 -5.878 3.418 -2.344 1.00 1.23 H new ATOM 0 HD11 LEU A 79 -7.809 4.651 -3.236 1.00 1.91 H new ATOM 0 HD12 LEU A 79 -7.250 5.258 -1.659 1.00 1.91 H new ATOM 0 HD13 LEU A 79 -6.864 6.156 -3.146 1.00 1.91 H new ATOM 0 HD21 LEU A 79 -6.302 3.717 -4.836 1.00 2.60 H new ATOM 0 HD22 LEU A 79 -5.179 5.097 -4.824 1.00 2.60 H new ATOM 0 HD23 LEU A 79 -4.579 3.459 -4.473 1.00 2.60 H new ATOM 1292 N CYS A 80 -4.120 7.482 -0.256 1.00 0.75 N ATOM 1293 CA CYS A 80 -4.557 8.300 0.881 1.00 0.76 C ATOM 1294 C CYS A 80 -4.804 9.761 0.473 1.00 0.83 C ATOM 1295 O CYS A 80 -5.883 10.302 0.702 1.00 0.96 O ATOM 1296 CB CYS A 80 -3.500 8.163 1.993 1.00 0.78 C ATOM 1297 SG CYS A 80 -4.140 8.884 3.532 1.00 0.94 S ATOM 0 H CYS A 80 -3.221 7.024 -0.105 1.00 0.75 H new ATOM 0 HA CYS A 80 -5.518 7.945 1.253 1.00 0.76 H new ATOM 0 HB2 CYS A 80 -3.253 7.113 2.147 1.00 0.78 H new ATOM 0 HB3 CYS A 80 -2.580 8.667 1.698 1.00 0.78 H new ATOM 0 HG CYS A 80 -3.248 8.766 4.470 1.00 0.94 H new ATOM 1303 N MET A 81 -3.826 10.378 -0.199 1.00 0.87 N ATOM 1304 CA MET A 81 -3.902 11.770 -0.651 1.00 1.05 C ATOM 1305 C MET A 81 -4.965 11.985 -1.727 1.00 1.21 C ATOM 1306 O MET A 81 -5.475 13.096 -1.817 1.00 1.51 O ATOM 1307 CB MET A 81 -2.518 12.323 -1.041 1.00 1.17 C ATOM 1308 CG MET A 81 -1.795 11.560 -2.159 1.00 1.69 C ATOM 1309 SD MET A 81 -1.350 12.524 -3.625 1.00 2.91 S ATOM 1310 CE MET A 81 -2.984 12.567 -4.397 1.00 4.17 C ATOM 0 H MET A 81 -2.950 9.919 -0.447 1.00 0.87 H new ATOM 0 HA MET A 81 -4.236 12.361 0.202 1.00 1.05 H new ATOM 0 HB2 MET A 81 -2.635 13.362 -1.350 1.00 1.17 H new ATOM 0 HB3 MET A 81 -1.883 12.323 -0.155 1.00 1.17 H new ATOM 0 HG2 MET A 81 -0.885 11.126 -1.745 1.00 1.69 H new ATOM 0 HG3 MET A 81 -2.429 10.731 -2.473 1.00 1.69 H new ATOM 0 HE1 MET A 81 -2.884 12.847 -5.446 1.00 4.17 H new ATOM 0 HE2 MET A 81 -3.446 11.582 -4.327 1.00 4.17 H new ATOM 0 HE3 MET A 81 -3.609 13.298 -3.885 1.00 4.17 H new ATOM 1320 N ALA A 82 -5.356 10.945 -2.474 1.00 1.17 N ATOM 1321 CA ALA A 82 -6.483 11.006 -3.403 1.00 1.38 C ATOM 1322 C ALA A 82 -7.860 11.115 -2.707 1.00 1.37 C ATOM 1323 O ALA A 82 -8.882 11.216 -3.380 1.00 1.59 O ATOM 1324 CB ALA A 82 -6.404 9.811 -4.367 1.00 1.49 C ATOM 0 H ALA A 82 -4.895 10.035 -2.448 1.00 1.17 H new ATOM 0 HA ALA A 82 -6.399 11.933 -3.971 1.00 1.38 H new ATOM 0 HB1 ALA A 82 -7.242 9.849 -5.063 1.00 1.49 H new ATOM 0 HB2 ALA A 82 -5.467 9.853 -4.923 1.00 1.49 H new ATOM 0 HB3 ALA A 82 -6.447 8.882 -3.799 1.00 1.49 H new ATOM 1330 N TYR A 83 -7.905 11.098 -1.368 1.00 1.21 N ATOM 1331 CA TYR A 83 -9.121 11.312 -0.577 1.00 1.30 C ATOM 1332 C TYR A 83 -8.953 12.273 0.631 1.00 1.47 C ATOM 1333 O TYR A 83 -9.853 12.347 1.469 1.00 1.89 O ATOM 1334 CB TYR A 83 -9.754 9.936 -0.255 1.00 1.43 C ATOM 1335 CG TYR A 83 -8.956 8.931 0.576 1.00 1.54 C ATOM 1336 CD1 TYR A 83 -8.767 9.166 1.954 1.00 2.90 C ATOM 1337 CD2 TYR A 83 -8.541 7.688 0.040 1.00 1.50 C ATOM 1338 CE1 TYR A 83 -8.102 8.232 2.769 1.00 3.12 C ATOM 1339 CE2 TYR A 83 -7.922 6.729 0.863 1.00 1.56 C ATOM 1340 CZ TYR A 83 -7.687 6.997 2.225 1.00 1.96 C ATOM 1341 OH TYR A 83 -7.073 6.054 2.986 1.00 2.22 O ATOM 0 H TYR A 83 -7.079 10.931 -0.794 1.00 1.21 H new ATOM 0 HA TYR A 83 -9.835 11.873 -1.180 1.00 1.30 H new ATOM 0 HB2 TYR A 83 -10.695 10.120 0.264 1.00 1.43 H new ATOM 0 HB3 TYR A 83 -10.001 9.457 -1.203 1.00 1.43 H new ATOM 0 HD1 TYR A 83 -9.140 10.080 2.392 1.00 2.90 H new ATOM 0 HD2 TYR A 83 -8.700 7.475 -1.007 1.00 1.50 H new ATOM 0 HE1 TYR A 83 -7.910 8.459 3.807 1.00 3.12 H new ATOM 0 HE2 TYR A 83 -7.624 5.778 0.446 1.00 1.56 H new ATOM 0 HH TYR A 83 -6.864 5.272 2.433 1.00 2.22 H new ATOM 1351 N ASN A 84 -7.843 13.033 0.717 1.00 1.56 N ATOM 1352 CA ASN A 84 -7.513 13.891 1.878 1.00 1.77 C ATOM 1353 C ASN A 84 -7.959 15.363 1.807 1.00 1.81 C ATOM 1354 O ASN A 84 -7.919 16.033 2.840 1.00 1.96 O ATOM 1355 CB ASN A 84 -6.008 13.784 2.201 1.00 1.98 C ATOM 1356 CG ASN A 84 -5.594 12.489 2.891 1.00 2.09 C ATOM 1357 OD1 ASN A 84 -6.393 11.756 3.449 1.00 3.01 O ATOM 1358 ND2 ASN A 84 -4.303 12.184 2.913 1.00 2.43 N ATOM 0 H ASN A 84 -7.142 13.070 -0.023 1.00 1.56 H new ATOM 0 HA ASN A 84 -8.119 13.489 2.690 1.00 1.77 H new ATOM 0 HB2 ASN A 84 -5.444 13.882 1.274 1.00 1.98 H new ATOM 0 HB3 ASN A 84 -5.726 14.624 2.836 1.00 1.98 H new ATOM 0 HD21 ASN A 84 -3.986 11.342 3.394 1.00 2.43 H new ATOM 0 HD22 ASN A 84 -3.628 12.791 2.449 1.00 2.43 H new ATOM 1365 N ASP A 85 -8.480 15.866 0.683 1.00 2.35 N ATOM 1366 CA ASP A 85 -9.113 17.196 0.659 1.00 2.48 C ATOM 1367 C ASP A 85 -10.424 17.272 1.466 1.00 2.37 C ATOM 1368 O ASP A 85 -10.941 18.360 1.707 1.00 2.50 O ATOM 1369 CB ASP A 85 -9.302 17.676 -0.789 1.00 3.70 C ATOM 1370 CG ASP A 85 -7.979 18.078 -1.442 1.00 5.62 C ATOM 1371 OD1 ASP A 85 -7.264 18.911 -0.840 1.00 6.88 O ATOM 1372 OD2 ASP A 85 -7.690 17.543 -2.529 1.00 6.31 O ATOM 0 H ASP A 85 -8.478 15.381 -0.215 1.00 2.35 H new ATOM 0 HA ASP A 85 -8.429 17.877 1.165 1.00 2.48 H new ATOM 0 HB2 ASP A 85 -9.768 16.884 -1.375 1.00 3.70 H new ATOM 0 HB3 ASP A 85 -9.985 18.526 -0.802 1.00 3.70 H new ATOM 1377 N PHE A 86 -10.901 16.141 2.006 1.00 2.58 N ATOM 1378 CA PHE A 86 -11.915 16.091 3.062 1.00 3.14 C ATOM 1379 C PHE A 86 -11.526 16.894 4.326 1.00 3.10 C ATOM 1380 O PHE A 86 -12.399 17.272 5.106 1.00 3.92 O ATOM 1381 CB PHE A 86 -12.158 14.608 3.391 1.00 3.58 C ATOM 1382 CG PHE A 86 -13.239 14.370 4.429 1.00 3.55 C ATOM 1383 CD1 PHE A 86 -14.596 14.520 4.078 1.00 4.44 C ATOM 1384 CD2 PHE A 86 -12.894 14.020 5.747 1.00 3.77 C ATOM 1385 CE1 PHE A 86 -15.600 14.322 5.044 1.00 4.86 C ATOM 1386 CE2 PHE A 86 -13.897 13.824 6.712 1.00 4.71 C ATOM 1387 CZ PHE A 86 -15.251 13.975 6.360 1.00 4.94 C ATOM 0 H PHE A 86 -10.584 15.217 1.712 1.00 2.58 H new ATOM 0 HA PHE A 86 -12.827 16.568 2.702 1.00 3.14 H new ATOM 0 HB2 PHE A 86 -12.428 14.084 2.474 1.00 3.58 H new ATOM 0 HB3 PHE A 86 -11.226 14.169 3.746 1.00 3.58 H new ATOM 0 HD1 PHE A 86 -14.865 14.787 3.067 1.00 4.44 H new ATOM 0 HD2 PHE A 86 -11.855 13.902 6.018 1.00 3.77 H new ATOM 0 HE1 PHE A 86 -16.639 14.437 4.774 1.00 4.86 H new ATOM 0 HE2 PHE A 86 -13.628 13.558 7.724 1.00 4.71 H new ATOM 0 HZ PHE A 86 -16.022 13.824 7.101 1.00 4.94 H new ATOM 1397 N PHE A 87 -10.229 17.175 4.519 1.00 2.46 N ATOM 1398 CA PHE A 87 -9.701 18.016 5.599 1.00 2.86 C ATOM 1399 C PHE A 87 -9.493 19.492 5.196 1.00 2.80 C ATOM 1400 O PHE A 87 -9.020 20.275 6.026 1.00 3.38 O ATOM 1401 CB PHE A 87 -8.375 17.408 6.089 1.00 2.97 C ATOM 1402 CG PHE A 87 -8.409 15.925 6.421 1.00 3.17 C ATOM 1403 CD1 PHE A 87 -9.386 15.410 7.296 1.00 4.14 C ATOM 1404 CD2 PHE A 87 -7.462 15.056 5.845 1.00 3.02 C ATOM 1405 CE1 PHE A 87 -9.417 14.031 7.585 1.00 4.54 C ATOM 1406 CE2 PHE A 87 -7.497 13.682 6.132 1.00 3.51 C ATOM 1407 CZ PHE A 87 -8.475 13.168 7.000 1.00 4.10 C ATOM 0 H PHE A 87 -9.498 16.811 3.908 1.00 2.46 H new ATOM 0 HA PHE A 87 -10.447 18.031 6.394 1.00 2.86 H new ATOM 0 HB2 PHE A 87 -7.617 17.572 5.323 1.00 2.97 H new ATOM 0 HB3 PHE A 87 -8.054 17.952 6.977 1.00 2.97 H new ATOM 0 HD1 PHE A 87 -10.111 16.072 7.745 1.00 4.14 H new ATOM 0 HD2 PHE A 87 -6.706 15.448 5.180 1.00 3.02 H new ATOM 0 HE1 PHE A 87 -10.165 13.637 8.257 1.00 4.54 H new ATOM 0 HE2 PHE A 87 -6.771 13.019 5.685 1.00 3.51 H new ATOM 0 HZ PHE A 87 -8.503 12.110 7.217 1.00 4.10 H new ATOM 1417 N LEU A 88 -9.783 19.880 3.946 1.00 2.31 N ATOM 1418 CA LEU A 88 -9.577 21.234 3.427 1.00 2.31 C ATOM 1419 C LEU A 88 -10.873 22.028 3.245 1.00 2.69 C ATOM 1420 O LEU A 88 -11.973 21.507 3.110 1.00 3.56 O ATOM 1421 CB LEU A 88 -8.801 21.189 2.093 1.00 2.04 C ATOM 1422 CG LEU A 88 -7.288 20.903 2.157 1.00 2.45 C ATOM 1423 CD1 LEU A 88 -6.604 21.585 0.962 1.00 2.75 C ATOM 1424 CD2 LEU A 88 -6.581 21.390 3.436 1.00 3.65 C ATOM 0 H LEU A 88 -10.177 19.243 3.253 1.00 2.31 H new ATOM 0 HA LEU A 88 -8.993 21.758 4.184 1.00 2.31 H new ATOM 0 HB2 LEU A 88 -9.260 20.428 1.463 1.00 2.04 H new ATOM 0 HB3 LEU A 88 -8.941 22.146 1.590 1.00 2.04 H new ATOM 0 HG LEU A 88 -7.199 19.817 2.144 1.00 2.45 H new ATOM 0 HD11 LEU A 88 -5.532 21.390 0.996 1.00 2.75 H new ATOM 0 HD12 LEU A 88 -7.015 21.190 0.033 1.00 2.75 H new ATOM 0 HD13 LEU A 88 -6.779 22.660 1.008 1.00 2.75 H new ATOM 0 HD21 LEU A 88 -5.521 21.141 3.383 1.00 3.65 H new ATOM 0 HD22 LEU A 88 -6.696 22.470 3.526 1.00 3.65 H new ATOM 0 HD23 LEU A 88 -7.025 20.904 4.305 1.00 3.65 H new ATOM 1517 N GLU B 2 -10.327 0.328 9.815 1.00 1.88 N ATOM 1518 CA GLU B 2 -9.973 -0.539 10.952 1.00 1.68 C ATOM 1519 C GLU B 2 -8.609 -1.223 10.823 1.00 1.76 C ATOM 1520 O GLU B 2 -7.987 -1.554 11.829 1.00 2.68 O ATOM 1521 CB GLU B 2 -10.995 -1.695 10.975 1.00 2.57 C ATOM 1522 CG GLU B 2 -12.397 -1.344 11.473 1.00 3.09 C ATOM 1523 CD GLU B 2 -12.993 -0.086 10.852 1.00 3.50 C ATOM 1524 OE1 GLU B 2 -13.069 -0.004 9.602 1.00 4.33 O ATOM 1525 OE2 GLU B 2 -13.177 0.920 11.568 1.00 3.93 O ATOM 0 HA GLU B 2 -9.961 0.099 11.836 1.00 1.68 H new ATOM 0 HB2 GLU B 2 -11.080 -2.097 9.966 1.00 2.57 H new ATOM 0 HB3 GLU B 2 -10.597 -2.492 11.603 1.00 2.57 H new ATOM 0 HG2 GLU B 2 -13.062 -2.184 11.270 1.00 3.09 H new ATOM 0 HG3 GLU B 2 -12.363 -1.219 12.555 1.00 3.09 H new ATOM 1532 N THR B 3 -8.221 -1.512 9.582 1.00 1.25 N ATOM 1533 CA THR B 3 -7.148 -2.472 9.235 1.00 1.30 C ATOM 1534 C THR B 3 -5.784 -2.002 9.753 1.00 1.24 C ATOM 1535 O THR B 3 -5.610 -0.796 9.934 1.00 1.25 O ATOM 1536 CB THR B 3 -7.124 -2.838 7.725 1.00 1.41 C ATOM 1537 OG1 THR B 3 -6.066 -2.192 7.045 1.00 1.86 O ATOM 1538 CG2 THR B 3 -8.455 -2.515 7.022 1.00 1.65 C ATOM 0 H THR B 3 -8.648 -1.080 8.762 1.00 1.25 H new ATOM 0 HA THR B 3 -7.382 -3.403 9.752 1.00 1.30 H new ATOM 0 HB THR B 3 -6.967 -3.916 7.684 1.00 1.41 H new ATOM 0 HG1 THR B 3 -5.339 -2.830 6.889 1.00 1.86 H new ATOM 0 HG21 THR B 3 -8.386 -2.789 5.969 1.00 1.65 H new ATOM 0 HG22 THR B 3 -9.261 -3.079 7.492 1.00 1.65 H new ATOM 0 HG23 THR B 3 -8.661 -1.448 7.106 1.00 1.65 H new ATOM 1546 N PRO B 4 -4.810 -2.902 9.995 1.00 1.31 N ATOM 1547 CA PRO B 4 -3.523 -2.518 10.563 1.00 1.39 C ATOM 1548 C PRO B 4 -2.732 -1.589 9.635 1.00 1.26 C ATOM 1549 O PRO B 4 -2.165 -0.611 10.119 1.00 1.30 O ATOM 1550 CB PRO B 4 -2.783 -3.827 10.857 1.00 1.65 C ATOM 1551 CG PRO B 4 -3.443 -4.844 9.928 1.00 1.62 C ATOM 1552 CD PRO B 4 -4.885 -4.345 9.834 1.00 1.43 C ATOM 0 HA PRO B 4 -3.655 -1.937 11.475 1.00 1.39 H new ATOM 0 HB2 PRO B 4 -1.716 -3.736 10.655 1.00 1.65 H new ATOM 0 HB3 PRO B 4 -2.886 -4.117 11.903 1.00 1.65 H new ATOM 0 HG2 PRO B 4 -2.961 -4.869 8.951 1.00 1.62 H new ATOM 0 HG3 PRO B 4 -3.392 -5.854 10.335 1.00 1.62 H new ATOM 0 HD2 PRO B 4 -5.330 -4.610 8.875 1.00 1.43 H new ATOM 0 HD3 PRO B 4 -5.507 -4.794 10.609 1.00 1.43 H new ATOM 1560 N LEU B 5 -2.732 -1.816 8.314 1.00 1.17 N ATOM 1561 CA LEU B 5 -2.049 -0.916 7.381 1.00 1.09 C ATOM 1562 C LEU B 5 -2.741 0.447 7.315 1.00 0.91 C ATOM 1563 O LEU B 5 -2.090 1.486 7.376 1.00 0.91 O ATOM 1564 CB LEU B 5 -2.031 -1.572 6.001 1.00 1.12 C ATOM 1565 CG LEU B 5 -1.074 -0.954 4.974 1.00 1.23 C ATOM 1566 CD1 LEU B 5 0.390 -1.069 5.435 1.00 1.61 C ATOM 1567 CD2 LEU B 5 -1.297 -1.681 3.643 1.00 1.88 C ATOM 0 H LEU B 5 -3.195 -2.610 7.872 1.00 1.17 H new ATOM 0 HA LEU B 5 -1.030 -0.744 7.729 1.00 1.09 H new ATOM 0 HB2 LEU B 5 -1.770 -2.623 6.124 1.00 1.12 H new ATOM 0 HB3 LEU B 5 -3.041 -1.540 5.592 1.00 1.12 H new ATOM 0 HG LEU B 5 -1.277 0.111 4.861 1.00 1.23 H new ATOM 0 HD11 LEU B 5 1.044 -0.622 4.686 1.00 1.61 H new ATOM 0 HD12 LEU B 5 0.515 -0.547 6.384 1.00 1.61 H new ATOM 0 HD13 LEU B 5 0.650 -2.120 5.563 1.00 1.61 H new ATOM 0 HD21 LEU B 5 -0.631 -1.267 2.886 1.00 1.88 H new ATOM 0 HD22 LEU B 5 -1.087 -2.743 3.769 1.00 1.88 H new ATOM 0 HD23 LEU B 5 -2.332 -1.551 3.326 1.00 1.88 H new ATOM 1579 N GLU B 6 -4.074 0.446 7.293 1.00 0.91 N ATOM 1580 CA GLU B 6 -4.894 1.644 7.472 1.00 0.89 C ATOM 1581 C GLU B 6 -4.541 2.359 8.793 1.00 0.89 C ATOM 1582 O GLU B 6 -4.389 3.581 8.813 1.00 0.93 O ATOM 1583 CB GLU B 6 -6.368 1.222 7.322 1.00 1.18 C ATOM 1584 CG GLU B 6 -7.442 2.029 8.053 1.00 1.47 C ATOM 1585 CD GLU B 6 -7.440 3.524 7.763 1.00 1.92 C ATOM 1586 OE1 GLU B 6 -7.769 3.900 6.620 1.00 2.74 O ATOM 1587 OE2 GLU B 6 -7.234 4.279 8.743 1.00 2.71 O ATOM 0 H GLU B 6 -4.623 -0.401 7.148 1.00 0.91 H new ATOM 0 HA GLU B 6 -4.694 2.398 6.710 1.00 0.89 H new ATOM 0 HB2 GLU B 6 -6.609 1.237 6.259 1.00 1.18 H new ATOM 0 HB3 GLU B 6 -6.450 0.187 7.653 1.00 1.18 H new ATOM 0 HG2 GLU B 6 -8.419 1.625 7.789 1.00 1.47 H new ATOM 0 HG3 GLU B 6 -7.316 1.883 9.126 1.00 1.47 H new ATOM 1594 N LYS B 7 -4.275 1.639 9.889 1.00 0.93 N ATOM 1595 CA LYS B 7 -3.838 2.281 11.131 1.00 0.99 C ATOM 1596 C LYS B 7 -2.421 2.855 11.017 1.00 0.96 C ATOM 1597 O LYS B 7 -2.147 3.881 11.642 1.00 1.08 O ATOM 1598 CB LYS B 7 -4.011 1.376 12.369 1.00 1.08 C ATOM 1599 CG LYS B 7 -5.432 0.889 12.743 1.00 1.49 C ATOM 1600 CD LYS B 7 -6.646 1.593 12.107 1.00 2.32 C ATOM 1601 CE LYS B 7 -6.790 3.087 12.436 1.00 2.90 C ATOM 1602 NZ LYS B 7 -7.565 3.802 11.389 1.00 4.01 N ATOM 0 H LYS B 7 -4.354 0.623 9.940 1.00 0.93 H new ATOM 0 HA LYS B 7 -4.507 3.127 11.287 1.00 0.99 H new ATOM 0 HB2 LYS B 7 -3.387 0.494 12.223 1.00 1.08 H new ATOM 0 HB3 LYS B 7 -3.609 1.912 13.229 1.00 1.08 H new ATOM 0 HG2 LYS B 7 -5.495 -0.170 12.492 1.00 1.49 H new ATOM 0 HG3 LYS B 7 -5.534 0.967 13.825 1.00 1.49 H new ATOM 0 HD2 LYS B 7 -6.583 1.481 11.025 1.00 2.32 H new ATOM 0 HD3 LYS B 7 -7.552 1.079 12.428 1.00 2.32 H new ATOM 0 HE2 LYS B 7 -7.286 3.202 13.400 1.00 2.90 H new ATOM 0 HE3 LYS B 7 -5.802 3.537 12.530 1.00 2.90 H new ATOM 0 HZ1 LYS B 7 -7.687 4.797 11.666 1.00 4.01 H new ATOM 0 HZ2 LYS B 7 -7.053 3.755 10.485 1.00 4.01 H new ATOM 0 HZ3 LYS B 7 -8.498 3.355 11.282 1.00 4.01 H new ATOM 1616 N ALA B 8 -1.546 2.288 10.183 1.00 0.90 N ATOM 1617 CA ALA B 8 -0.249 2.880 9.850 1.00 0.87 C ATOM 1618 C ALA B 8 -0.405 4.201 9.079 1.00 0.76 C ATOM 1619 O ALA B 8 0.255 5.180 9.426 1.00 0.80 O ATOM 1620 CB ALA B 8 0.595 1.857 9.081 1.00 0.97 C ATOM 0 H ALA B 8 -1.720 1.398 9.716 1.00 0.90 H new ATOM 0 HA ALA B 8 0.271 3.133 10.774 1.00 0.87 H new ATOM 0 HB1 ALA B 8 1.561 2.296 8.832 1.00 0.97 H new ATOM 0 HB2 ALA B 8 0.747 0.972 9.699 1.00 0.97 H new ATOM 0 HB3 ALA B 8 0.078 1.574 8.164 1.00 0.97 H new ATOM 1626 N LEU B 9 -1.308 4.279 8.092 1.00 0.68 N ATOM 1627 CA LEU B 9 -1.585 5.516 7.348 1.00 0.63 C ATOM 1628 C LEU B 9 -2.256 6.561 8.252 1.00 0.62 C ATOM 1629 O LEU B 9 -1.760 7.688 8.319 1.00 0.60 O ATOM 1630 CB LEU B 9 -2.413 5.202 6.084 1.00 0.64 C ATOM 1631 CG LEU B 9 -1.597 4.834 4.820 1.00 0.58 C ATOM 1632 CD1 LEU B 9 -0.776 6.025 4.295 1.00 0.68 C ATOM 1633 CD2 LEU B 9 -0.674 3.627 5.044 1.00 0.74 C ATOM 0 H LEU B 9 -1.869 3.484 7.786 1.00 0.68 H new ATOM 0 HA LEU B 9 -0.643 5.954 7.017 1.00 0.63 H new ATOM 0 HB2 LEU B 9 -3.089 4.377 6.310 1.00 0.64 H new ATOM 0 HB3 LEU B 9 -3.033 6.068 5.854 1.00 0.64 H new ATOM 0 HG LEU B 9 -2.335 4.560 4.066 1.00 0.58 H new ATOM 0 HD11 LEU B 9 -0.220 5.721 3.408 1.00 0.68 H new ATOM 0 HD12 LEU B 9 -1.447 6.845 4.039 1.00 0.68 H new ATOM 0 HD13 LEU B 9 -0.079 6.354 5.065 1.00 0.68 H new ATOM 0 HD21 LEU B 9 -0.126 3.413 4.126 1.00 0.74 H new ATOM 0 HD22 LEU B 9 0.032 3.852 5.844 1.00 0.74 H new ATOM 0 HD23 LEU B 9 -1.272 2.758 5.321 1.00 0.74 H new ATOM 1645 N THR B 10 -3.290 6.172 9.018 1.00 0.68 N ATOM 1646 CA THR B 10 -3.879 6.984 10.104 1.00 0.71 C ATOM 1647 C THR B 10 -2.783 7.557 10.999 1.00 0.75 C ATOM 1648 O THR B 10 -2.776 8.760 11.241 1.00 0.75 O ATOM 1649 CB THR B 10 -4.904 6.166 10.907 1.00 0.88 C ATOM 1650 OG1 THR B 10 -6.155 6.191 10.266 1.00 1.05 O ATOM 1651 CG2 THR B 10 -5.188 6.723 12.305 1.00 1.45 C ATOM 0 H THR B 10 -3.750 5.269 8.900 1.00 0.68 H new ATOM 0 HA THR B 10 -4.414 7.823 9.659 1.00 0.71 H new ATOM 0 HB THR B 10 -4.460 5.173 10.978 1.00 0.88 H new ATOM 0 HG1 THR B 10 -6.210 5.450 9.626 1.00 1.05 H new ATOM 0 HG21 THR B 10 -5.920 6.091 12.807 1.00 1.45 H new ATOM 0 HG22 THR B 10 -4.265 6.739 12.885 1.00 1.45 H new ATOM 0 HG23 THR B 10 -5.581 7.736 12.220 1.00 1.45 H new ATOM 1659 N THR B 11 -1.821 6.742 11.453 1.00 0.80 N ATOM 1660 CA THR B 11 -0.705 7.186 12.311 1.00 0.85 C ATOM 1661 C THR B 11 0.201 8.187 11.592 1.00 0.81 C ATOM 1662 O THR B 11 0.515 9.228 12.163 1.00 0.86 O ATOM 1663 CB THR B 11 0.084 5.976 12.825 1.00 0.95 C ATOM 1664 OG1 THR B 11 -0.780 5.152 13.566 1.00 1.00 O ATOM 1665 CG2 THR B 11 1.212 6.367 13.771 1.00 1.05 C ATOM 0 H THR B 11 -1.792 5.746 11.235 1.00 0.80 H new ATOM 0 HA THR B 11 -1.126 7.709 13.170 1.00 0.85 H new ATOM 0 HB THR B 11 0.503 5.481 11.949 1.00 0.95 H new ATOM 0 HG1 THR B 11 -1.177 4.478 12.975 1.00 1.00 H new ATOM 0 HG21 THR B 11 1.736 5.471 14.103 1.00 1.05 H new ATOM 0 HG22 THR B 11 1.910 7.024 13.253 1.00 1.05 H new ATOM 0 HG23 THR B 11 0.798 6.886 14.635 1.00 1.05 H new ATOM 1673 N MET B 12 0.553 7.925 10.326 1.00 0.76 N ATOM 1674 CA MET B 12 1.319 8.855 9.477 1.00 0.73 C ATOM 1675 C MET B 12 0.618 10.191 9.232 1.00 0.73 C ATOM 1676 O MET B 12 1.310 11.203 9.198 1.00 0.84 O ATOM 1677 CB MET B 12 1.646 8.232 8.110 1.00 0.70 C ATOM 1678 CG MET B 12 2.864 7.312 8.163 1.00 0.78 C ATOM 1679 SD MET B 12 3.312 6.701 6.522 1.00 0.97 S ATOM 1680 CE MET B 12 5.053 6.311 6.822 1.00 0.76 C ATOM 0 H MET B 12 0.313 7.053 9.855 1.00 0.76 H new ATOM 0 HA MET B 12 2.231 9.048 10.041 1.00 0.73 H new ATOM 0 HB2 MET B 12 0.783 7.667 7.756 1.00 0.70 H new ATOM 0 HB3 MET B 12 1.826 9.027 7.386 1.00 0.70 H new ATOM 0 HG2 MET B 12 3.708 7.850 8.594 1.00 0.78 H new ATOM 0 HG3 MET B 12 2.655 6.468 8.821 1.00 0.78 H new ATOM 0 HE1 MET B 12 5.682 7.051 6.327 1.00 0.76 H new ATOM 0 HE2 MET B 12 5.250 6.326 7.894 1.00 0.76 H new ATOM 0 HE3 MET B 12 5.278 5.321 6.426 1.00 0.76 H new ATOM 1690 N VAL B 13 -0.706 10.231 9.051 1.00 0.70 N ATOM 1691 CA VAL B 13 -1.441 11.509 8.906 1.00 0.76 C ATOM 1692 C VAL B 13 -1.677 12.210 10.254 1.00 0.89 C ATOM 1693 O VAL B 13 -1.641 13.443 10.318 1.00 1.00 O ATOM 1694 CB VAL B 13 -2.756 11.395 8.094 1.00 0.74 C ATOM 1695 CG1 VAL B 13 -2.467 10.924 6.660 1.00 0.69 C ATOM 1696 CG2 VAL B 13 -3.829 10.504 8.733 1.00 0.74 C ATOM 0 H VAL B 13 -1.296 9.401 9.000 1.00 0.70 H new ATOM 0 HA VAL B 13 -0.777 12.139 8.315 1.00 0.76 H new ATOM 0 HB VAL B 13 -3.173 12.402 8.085 1.00 0.74 H new ATOM 0 HG11 VAL B 13 -3.403 10.850 6.106 1.00 0.69 H new ATOM 0 HG12 VAL B 13 -1.809 11.640 6.167 1.00 0.69 H new ATOM 0 HG13 VAL B 13 -1.984 9.947 6.688 1.00 0.69 H new ATOM 0 HG21 VAL B 13 -4.713 10.484 8.095 1.00 0.74 H new ATOM 0 HG22 VAL B 13 -3.441 9.492 8.847 1.00 0.74 H new ATOM 0 HG23 VAL B 13 -4.097 10.902 9.712 1.00 0.74 H new ATOM 1706 N THR B 14 -1.860 11.441 11.337 1.00 0.94 N ATOM 1707 CA THR B 14 -2.082 11.939 12.709 1.00 1.14 C ATOM 1708 C THR B 14 -0.820 12.573 13.297 1.00 1.27 C ATOM 1709 O THR B 14 -0.926 13.444 14.160 1.00 1.74 O ATOM 1710 CB THR B 14 -2.623 10.802 13.594 1.00 1.24 C ATOM 1711 OG1 THR B 14 -3.862 10.390 13.072 1.00 1.27 O ATOM 1712 CG2 THR B 14 -2.881 11.210 15.044 1.00 1.55 C ATOM 0 H THR B 14 -1.858 10.422 11.284 1.00 0.94 H new ATOM 0 HA THR B 14 -2.829 12.732 12.673 1.00 1.14 H new ATOM 0 HB THR B 14 -1.860 10.023 13.591 1.00 1.24 H new ATOM 0 HG1 THR B 14 -3.713 9.803 12.302 1.00 1.27 H new ATOM 0 HG21 THR B 14 -3.261 10.353 15.601 1.00 1.55 H new ATOM 0 HG22 THR B 14 -1.951 11.554 15.496 1.00 1.55 H new ATOM 0 HG23 THR B 14 -3.616 12.014 15.070 1.00 1.55 H new ATOM 1720 N THR B 15 0.362 12.171 12.824 1.00 0.96 N ATOM 1721 CA THR B 15 1.649 12.850 13.047 1.00 0.88 C ATOM 1722 C THR B 15 1.814 14.019 12.079 1.00 0.89 C ATOM 1723 O THR B 15 1.876 15.159 12.533 1.00 1.10 O ATOM 1724 CB THR B 15 2.816 11.859 12.927 1.00 0.83 C ATOM 1725 OG1 THR B 15 2.589 10.987 11.851 1.00 1.53 O ATOM 1726 CG2 THR B 15 2.963 11.015 14.194 1.00 1.46 C ATOM 0 H THR B 15 0.457 11.331 12.253 1.00 0.96 H new ATOM 0 HA THR B 15 1.656 13.250 14.061 1.00 0.88 H new ATOM 0 HB THR B 15 3.725 12.440 12.773 1.00 0.83 H new ATOM 0 HG1 THR B 15 1.931 10.309 12.112 1.00 1.53 H new ATOM 0 HG21 THR B 15 3.798 10.324 14.076 1.00 1.46 H new ATOM 0 HG22 THR B 15 3.150 11.668 15.046 1.00 1.46 H new ATOM 0 HG23 THR B 15 2.046 10.451 14.364 1.00 1.46 H new ATOM 1734 N PHE B 16 1.815 13.765 10.767 1.00 0.81 N ATOM 1735 CA PHE B 16 2.117 14.751 9.715 1.00 0.81 C ATOM 1736 C PHE B 16 1.299 16.047 9.796 1.00 0.77 C ATOM 1737 O PHE B 16 1.863 17.136 9.710 1.00 0.82 O ATOM 1738 CB PHE B 16 1.897 14.056 8.369 1.00 0.82 C ATOM 1739 CG PHE B 16 2.097 14.890 7.120 1.00 0.85 C ATOM 1740 CD1 PHE B 16 3.354 14.923 6.490 1.00 1.61 C ATOM 1741 CD2 PHE B 16 1.001 15.546 6.533 1.00 1.92 C ATOM 1742 CE1 PHE B 16 3.504 15.562 5.250 1.00 1.59 C ATOM 1743 CE2 PHE B 16 1.159 16.213 5.306 1.00 2.02 C ATOM 1744 CZ PHE B 16 2.405 16.207 4.658 1.00 1.04 C ATOM 0 H PHE B 16 1.600 12.841 10.392 1.00 0.81 H new ATOM 0 HA PHE B 16 3.149 15.077 9.847 1.00 0.81 H new ATOM 0 HB2 PHE B 16 2.571 13.201 8.316 1.00 0.82 H new ATOM 0 HB3 PHE B 16 0.881 13.663 8.354 1.00 0.82 H new ATOM 0 HD1 PHE B 16 4.206 14.455 6.962 1.00 1.61 H new ATOM 0 HD2 PHE B 16 0.039 15.537 7.024 1.00 1.92 H new ATOM 0 HE1 PHE B 16 4.462 15.558 4.752 1.00 1.59 H new ATOM 0 HE2 PHE B 16 0.322 16.730 4.861 1.00 2.02 H new ATOM 0 HZ PHE B 16 2.519 16.699 3.703 1.00 1.04 H new ATOM 1754 N HIS B 17 -0.019 15.961 10.011 1.00 0.73 N ATOM 1755 CA HIS B 17 -0.872 17.155 10.015 1.00 0.70 C ATOM 1756 C HIS B 17 -0.430 18.183 11.084 1.00 0.68 C ATOM 1757 O HIS B 17 -0.451 19.390 10.849 1.00 0.89 O ATOM 1758 CB HIS B 17 -2.344 16.751 10.178 1.00 0.70 C ATOM 1759 CG HIS B 17 -3.292 17.930 10.123 1.00 0.98 C ATOM 1760 ND1 HIS B 17 -3.693 18.700 11.191 1.00 1.88 N ATOM 1761 CD2 HIS B 17 -3.887 18.458 9.007 1.00 1.16 C ATOM 1762 CE1 HIS B 17 -4.516 19.661 10.727 1.00 2.23 C ATOM 1763 NE2 HIS B 17 -4.675 19.547 9.401 1.00 1.71 N ATOM 0 H HIS B 17 -0.514 15.086 10.183 1.00 0.73 H new ATOM 0 HA HIS B 17 -0.761 17.655 9.053 1.00 0.70 H new ATOM 0 HB2 HIS B 17 -2.609 16.042 9.394 1.00 0.70 H new ATOM 0 HB3 HIS B 17 -2.470 16.235 11.130 1.00 0.70 H new ATOM 0 HD2 HIS B 17 -3.769 18.096 7.996 1.00 1.16 H new ATOM 0 HE1 HIS B 17 -4.983 20.418 11.339 1.00 2.23 H new ATOM 0 HE2 HIS B 17 -5.253 20.135 8.800 1.00 1.71 H new ATOM 1772 N LYS B 18 0.060 17.713 12.241 1.00 0.70 N ATOM 1773 CA LYS B 18 0.527 18.543 13.364 1.00 0.77 C ATOM 1774 C LYS B 18 1.781 19.388 13.052 1.00 0.82 C ATOM 1775 O LYS B 18 2.152 20.226 13.879 1.00 1.04 O ATOM 1776 CB LYS B 18 0.762 17.644 14.593 1.00 1.05 C ATOM 1777 CG LYS B 18 -0.506 16.926 15.089 1.00 2.55 C ATOM 1778 CD LYS B 18 -0.145 15.896 16.168 1.00 3.60 C ATOM 1779 CE LYS B 18 -1.411 15.182 16.661 1.00 5.40 C ATOM 1780 NZ LYS B 18 -1.155 13.748 16.936 1.00 6.54 N ATOM 0 H LYS B 18 0.145 16.714 12.428 1.00 0.70 H new ATOM 0 HA LYS B 18 -0.259 19.271 13.567 1.00 0.77 H new ATOM 0 HB2 LYS B 18 1.518 16.898 14.347 1.00 1.05 H new ATOM 0 HB3 LYS B 18 1.165 18.251 15.404 1.00 1.05 H new ATOM 0 HG2 LYS B 18 -1.211 17.654 15.492 1.00 2.55 H new ATOM 0 HG3 LYS B 18 -1.002 16.430 14.254 1.00 2.55 H new ATOM 0 HD2 LYS B 18 0.559 15.168 15.765 1.00 3.60 H new ATOM 0 HD3 LYS B 18 0.351 16.391 17.003 1.00 3.60 H new ATOM 0 HE2 LYS B 18 -1.774 15.668 17.567 1.00 5.40 H new ATOM 0 HE3 LYS B 18 -2.197 15.275 15.912 1.00 5.40 H new ATOM 0 HZ1 LYS B 18 -2.018 13.308 17.315 1.00 6.54 H new ATOM 0 HZ2 LYS B 18 -0.881 13.269 16.055 1.00 6.54 H new ATOM 0 HZ3 LYS B 18 -0.387 13.660 17.631 1.00 6.54 H new ATOM 1794 N TYR B 19 2.423 19.193 11.903 1.00 0.77 N ATOM 1795 CA TYR B 19 3.547 20.008 11.416 1.00 0.85 C ATOM 1796 C TYR B 19 3.288 20.637 10.029 1.00 0.97 C ATOM 1797 O TYR B 19 4.017 21.525 9.607 1.00 1.57 O ATOM 1798 CB TYR B 19 4.792 19.120 11.427 1.00 0.97 C ATOM 1799 CG TYR B 19 5.245 18.678 12.810 1.00 0.94 C ATOM 1800 CD1 TYR B 19 4.704 17.508 13.374 1.00 2.30 C ATOM 1801 CD2 TYR B 19 6.258 19.375 13.495 1.00 1.68 C ATOM 1802 CE1 TYR B 19 5.204 17.004 14.588 1.00 2.31 C ATOM 1803 CE2 TYR B 19 6.733 18.903 14.735 1.00 1.76 C ATOM 1804 CZ TYR B 19 6.211 17.710 15.286 1.00 1.06 C ATOM 1805 OH TYR B 19 6.689 17.224 16.463 1.00 1.18 O ATOM 0 H TYR B 19 2.172 18.441 11.261 1.00 0.77 H new ATOM 0 HA TYR B 19 3.685 20.865 12.075 1.00 0.85 H new ATOM 0 HB2 TYR B 19 4.595 18.234 10.824 1.00 0.97 H new ATOM 0 HB3 TYR B 19 5.609 19.658 10.946 1.00 0.97 H new ATOM 0 HD1 TYR B 19 3.899 16.993 12.871 1.00 2.30 H new ATOM 0 HD2 TYR B 19 6.673 20.276 13.068 1.00 1.68 H new ATOM 0 HE1 TYR B 19 4.819 16.077 14.987 1.00 2.31 H new ATOM 0 HE2 TYR B 19 7.497 19.453 15.265 1.00 1.76 H new ATOM 0 HH TYR B 19 6.632 16.246 16.460 1.00 1.18 H new ATOM 1815 N SER B 20 2.189 20.262 9.373 1.00 0.85 N ATOM 1816 CA SER B 20 1.634 20.965 8.199 1.00 0.77 C ATOM 1817 C SER B 20 0.923 22.293 8.534 1.00 0.94 C ATOM 1818 O SER B 20 0.590 23.060 7.636 1.00 1.41 O ATOM 1819 CB SER B 20 0.653 20.034 7.474 1.00 0.97 C ATOM 1820 OG SER B 20 -0.563 19.838 8.185 1.00 2.11 O ATOM 0 H SER B 20 1.643 19.444 9.643 1.00 0.85 H new ATOM 0 HA SER B 20 2.483 21.225 7.567 1.00 0.77 H new ATOM 0 HB2 SER B 20 0.429 20.448 6.491 1.00 0.97 H new ATOM 0 HB3 SER B 20 1.131 19.068 7.312 1.00 0.97 H new ATOM 0 HG SER B 20 -0.379 19.814 9.147 1.00 2.11 H new ATOM 1826 N GLY B 21 0.658 22.562 9.819 1.00 1.45 N ATOM 1827 CA GLY B 21 0.121 23.840 10.295 1.00 2.24 C ATOM 1828 C GLY B 21 1.212 24.660 10.983 1.00 2.76 C ATOM 1829 O GLY B 21 1.907 24.117 11.834 1.00 4.11 O ATOM 0 H GLY B 21 0.814 21.886 10.567 1.00 1.45 H new ATOM 0 HA2 GLY B 21 -0.290 24.403 9.457 1.00 2.24 H new ATOM 0 HA3 GLY B 21 -0.699 23.660 10.990 1.00 2.24 H new ATOM 1832 N ARG B 22 1.291 25.949 10.614 1.00 2.48 N ATOM 1833 CA ARG B 22 2.194 27.086 10.902 1.00 2.84 C ATOM 1834 C ARG B 22 2.430 27.828 9.589 1.00 3.09 C ATOM 1835 O ARG B 22 2.124 29.010 9.456 1.00 3.55 O ATOM 1836 CB ARG B 22 3.532 26.663 11.500 1.00 2.78 C ATOM 1837 CG ARG B 22 3.331 26.413 12.993 1.00 2.71 C ATOM 1838 CD ARG B 22 4.300 25.332 13.471 1.00 2.25 C ATOM 1839 NE ARG B 22 3.685 24.558 14.557 1.00 2.95 N ATOM 1840 CZ ARG B 22 3.701 23.235 14.596 1.00 4.14 C ATOM 1841 NH1 ARG B 22 4.624 22.519 13.995 1.00 4.56 N ATOM 1842 NH2 ARG B 22 2.751 22.600 15.236 1.00 5.98 N ATOM 0 H ARG B 22 0.571 26.283 9.973 1.00 2.48 H new ATOM 0 HA ARG B 22 1.717 27.718 11.651 1.00 2.84 H new ATOM 0 HB2 ARG B 22 3.899 25.761 11.010 1.00 2.78 H new ATOM 0 HB3 ARG B 22 4.281 27.439 11.342 1.00 2.78 H new ATOM 0 HG2 ARG B 22 3.496 27.335 13.551 1.00 2.71 H new ATOM 0 HG3 ARG B 22 2.303 26.104 13.184 1.00 2.71 H new ATOM 0 HD2 ARG B 22 4.560 24.672 12.643 1.00 2.25 H new ATOM 0 HD3 ARG B 22 5.227 25.789 13.817 1.00 2.25 H new ATOM 0 HE ARG B 22 3.225 25.062 15.315 1.00 2.95 H new ATOM 0 HH11 ARG B 22 5.368 22.981 13.472 1.00 4.56 H new ATOM 0 HH12 ARG B 22 4.597 21.501 14.052 1.00 4.56 H new ATOM 0 HH21 ARG B 22 2.008 23.125 15.698 1.00 5.98 H new ATOM 0 HH22 ARG B 22 2.754 21.581 15.272 1.00 5.98 H new ATOM 1856 N GLU B 23 2.885 27.058 8.605 1.00 2.99 N ATOM 1857 CA GLU B 23 2.575 27.259 7.195 1.00 2.95 C ATOM 1858 C GLU B 23 1.067 26.974 6.986 1.00 2.26 C ATOM 1859 O GLU B 23 0.409 26.427 7.879 1.00 2.76 O ATOM 1860 CB GLU B 23 3.507 26.329 6.392 1.00 3.55 C ATOM 1861 CG GLU B 23 4.991 26.760 6.511 1.00 4.79 C ATOM 1862 CD GLU B 23 5.978 25.584 6.542 1.00 5.85 C ATOM 1863 OE1 GLU B 23 5.704 24.539 5.921 1.00 6.68 O ATOM 1864 OE2 GLU B 23 7.062 25.724 7.151 1.00 6.47 O ATOM 0 H GLU B 23 3.495 26.257 8.771 1.00 2.99 H new ATOM 0 HA GLU B 23 2.748 28.279 6.851 1.00 2.95 H new ATOM 0 HB2 GLU B 23 3.396 25.306 6.750 1.00 3.55 H new ATOM 0 HB3 GLU B 23 3.210 26.334 5.343 1.00 3.55 H new ATOM 0 HG2 GLU B 23 5.240 27.409 5.671 1.00 4.79 H new ATOM 0 HG3 GLU B 23 5.116 27.351 7.418 1.00 4.79 H new ATOM 1871 N GLY B 24 0.482 27.387 5.854 1.00 2.32 N ATOM 1872 CA GLY B 24 -0.977 27.273 5.633 1.00 2.50 C ATOM 1873 C GLY B 24 -1.430 25.965 4.975 1.00 2.04 C ATOM 1874 O GLY B 24 -2.609 25.614 5.007 1.00 2.69 O ATOM 0 H GLY B 24 0.991 27.803 5.074 1.00 2.32 H new ATOM 0 HA2 GLY B 24 -1.484 27.375 6.593 1.00 2.50 H new ATOM 0 HA3 GLY B 24 -1.302 28.107 5.011 1.00 2.50 H new ATOM 1877 N SER B 25 -0.499 25.256 4.351 1.00 1.73 N ATOM 1878 CA SER B 25 -0.766 24.130 3.460 1.00 1.53 C ATOM 1879 C SER B 25 -0.924 22.819 4.244 1.00 1.37 C ATOM 1880 O SER B 25 -0.009 22.004 4.306 1.00 1.78 O ATOM 1881 CB SER B 25 0.377 24.030 2.440 1.00 2.03 C ATOM 1882 OG SER B 25 0.511 25.193 1.642 1.00 3.17 O ATOM 0 H SER B 25 0.496 25.454 4.453 1.00 1.73 H new ATOM 0 HA SER B 25 -1.708 24.299 2.939 1.00 1.53 H new ATOM 0 HB2 SER B 25 1.313 23.849 2.968 1.00 2.03 H new ATOM 0 HB3 SER B 25 0.205 23.170 1.793 1.00 2.03 H new ATOM 0 HG SER B 25 1.349 25.148 1.136 1.00 3.17 H new ATOM 1888 N LYS B 26 -2.096 22.566 4.835 1.00 1.26 N ATOM 1889 CA LYS B 26 -2.368 21.442 5.762 1.00 1.15 C ATOM 1890 C LYS B 26 -2.171 20.004 5.192 1.00 1.08 C ATOM 1891 O LYS B 26 -2.565 19.022 5.818 1.00 1.33 O ATOM 1892 CB LYS B 26 -3.801 21.626 6.294 1.00 1.31 C ATOM 1893 CG LYS B 26 -4.030 22.893 7.140 1.00 1.89 C ATOM 1894 CD LYS B 26 -5.481 23.390 7.035 1.00 1.93 C ATOM 1895 CE LYS B 26 -6.493 22.274 7.331 1.00 1.97 C ATOM 1896 NZ LYS B 26 -7.856 22.670 6.924 1.00 2.28 N ATOM 0 H LYS B 26 -2.916 23.154 4.682 1.00 1.26 H new ATOM 0 HA LYS B 26 -1.613 21.496 6.547 1.00 1.15 H new ATOM 0 HB2 LYS B 26 -4.486 21.646 5.446 1.00 1.31 H new ATOM 0 HB3 LYS B 26 -4.063 20.755 6.895 1.00 1.31 H new ATOM 0 HG2 LYS B 26 -3.792 22.683 8.183 1.00 1.89 H new ATOM 0 HG3 LYS B 26 -3.351 23.679 6.810 1.00 1.89 H new ATOM 0 HD2 LYS B 26 -5.634 24.213 7.733 1.00 1.93 H new ATOM 0 HD3 LYS B 26 -5.658 23.784 6.034 1.00 1.93 H new ATOM 0 HE2 LYS B 26 -6.202 21.366 6.803 1.00 1.97 H new ATOM 0 HE3 LYS B 26 -6.481 22.041 8.396 1.00 1.97 H new ATOM 0 HZ1 LYS B 26 -8.339 21.857 6.491 1.00 2.28 H new ATOM 0 HZ2 LYS B 26 -8.390 22.985 7.759 1.00 2.28 H new ATOM 0 HZ3 LYS B 26 -7.801 23.447 6.235 1.00 2.28 H new ATOM 1910 N LEU B 27 -1.639 19.862 3.973 1.00 1.03 N ATOM 1911 CA LEU B 27 -1.354 18.608 3.248 1.00 1.10 C ATOM 1912 C LEU B 27 0.138 18.490 2.852 1.00 0.99 C ATOM 1913 O LEU B 27 0.534 17.495 2.240 1.00 1.05 O ATOM 1914 CB LEU B 27 -2.241 18.546 1.990 1.00 1.40 C ATOM 1915 CG LEU B 27 -3.765 18.564 2.232 1.00 1.97 C ATOM 1916 CD1 LEU B 27 -4.460 18.529 0.871 1.00 2.33 C ATOM 1917 CD2 LEU B 27 -4.273 17.378 3.066 1.00 2.66 C ATOM 0 H LEU B 27 -1.375 20.679 3.422 1.00 1.03 H new ATOM 0 HA LEU B 27 -1.576 17.772 3.911 1.00 1.10 H new ATOM 0 HB2 LEU B 27 -1.986 19.389 1.348 1.00 1.40 H new ATOM 0 HB3 LEU B 27 -1.992 17.639 1.439 1.00 1.40 H new ATOM 0 HG LEU B 27 -3.992 19.468 2.797 1.00 1.97 H new ATOM 0 HD11 LEU B 27 -5.541 18.541 1.014 1.00 2.33 H new ATOM 0 HD12 LEU B 27 -4.161 19.400 0.288 1.00 2.33 H new ATOM 0 HD13 LEU B 27 -4.174 17.621 0.340 1.00 2.33 H new ATOM 0 HD21 LEU B 27 -5.352 17.459 3.194 1.00 2.66 H new ATOM 0 HD22 LEU B 27 -4.038 16.445 2.553 1.00 2.66 H new ATOM 0 HD23 LEU B 27 -3.790 17.387 4.043 1.00 2.66 H new ATOM 1929 N THR B 28 0.940 19.504 3.200 1.00 1.03 N ATOM 1930 CA THR B 28 2.376 19.628 2.936 1.00 1.05 C ATOM 1931 C THR B 28 3.094 20.170 4.181 1.00 1.15 C ATOM 1932 O THR B 28 2.447 20.440 5.190 1.00 1.43 O ATOM 1933 CB THR B 28 2.624 20.524 1.705 1.00 1.02 C ATOM 1934 OG1 THR B 28 2.320 21.847 2.035 1.00 1.25 O ATOM 1935 CG2 THR B 28 1.784 20.188 0.470 1.00 1.04 C ATOM 0 H THR B 28 0.578 20.312 3.707 1.00 1.03 H new ATOM 0 HA THR B 28 2.784 18.642 2.712 1.00 1.05 H new ATOM 0 HB THR B 28 3.670 20.358 1.448 1.00 1.02 H new ATOM 0 HG1 THR B 28 2.477 22.422 1.257 1.00 1.25 H new ATOM 0 HG21 THR B 28 2.034 20.875 -0.338 1.00 1.04 H new ATOM 0 HG22 THR B 28 1.993 19.166 0.155 1.00 1.04 H new ATOM 0 HG23 THR B 28 0.726 20.283 0.713 1.00 1.04 H new ATOM 1943 N LEU B 29 4.420 20.346 4.123 1.00 0.97 N ATOM 1944 CA LEU B 29 5.234 21.121 5.085 1.00 0.91 C ATOM 1945 C LEU B 29 6.647 21.412 4.560 1.00 0.92 C ATOM 1946 O LEU B 29 7.154 20.682 3.702 1.00 1.13 O ATOM 1947 CB LEU B 29 5.271 20.481 6.494 1.00 0.89 C ATOM 1948 CG LEU B 29 6.163 19.240 6.687 1.00 0.93 C ATOM 1949 CD1 LEU B 29 6.026 18.787 8.146 1.00 0.99 C ATOM 1950 CD2 LEU B 29 5.799 18.070 5.768 1.00 1.08 C ATOM 0 H LEU B 29 4.984 19.938 3.377 1.00 0.97 H new ATOM 0 HA LEU B 29 4.728 22.081 5.190 1.00 0.91 H new ATOM 0 HB2 LEU B 29 5.597 21.243 7.201 1.00 0.89 H new ATOM 0 HB3 LEU B 29 4.251 20.208 6.767 1.00 0.89 H new ATOM 0 HG LEU B 29 7.184 19.526 6.433 1.00 0.93 H new ATOM 0 HD11 LEU B 29 6.648 17.908 8.314 1.00 0.99 H new ATOM 0 HD12 LEU B 29 6.348 19.591 8.808 1.00 0.99 H new ATOM 0 HD13 LEU B 29 4.985 18.540 8.354 1.00 0.99 H new ATOM 0 HD21 LEU B 29 6.470 17.233 5.961 1.00 1.08 H new ATOM 0 HD22 LEU B 29 4.771 17.763 5.960 1.00 1.08 H new ATOM 0 HD23 LEU B 29 5.897 18.380 4.728 1.00 1.08 H new ATOM 1962 N SER B 30 7.291 22.468 5.054 1.00 0.76 N ATOM 1963 CA SER B 30 8.619 22.893 4.596 1.00 0.74 C ATOM 1964 C SER B 30 9.741 21.889 4.889 1.00 0.71 C ATOM 1965 O SER B 30 9.720 21.099 5.837 1.00 0.71 O ATOM 1966 CB SER B 30 9.011 24.278 5.140 1.00 0.82 C ATOM 1967 OG SER B 30 9.130 24.298 6.555 1.00 1.51 O ATOM 0 H SER B 30 6.905 23.060 5.790 1.00 0.76 H new ATOM 0 HA SER B 30 8.516 22.949 3.512 1.00 0.74 H new ATOM 0 HB2 SER B 30 9.958 24.583 4.696 1.00 0.82 H new ATOM 0 HB3 SER B 30 8.264 25.009 4.832 1.00 0.82 H new ATOM 0 HG SER B 30 8.304 24.649 6.948 1.00 1.51 H new ATOM 1973 N ARG B 31 10.818 21.974 4.104 1.00 0.75 N ATOM 1974 CA ARG B 31 12.035 21.162 4.263 1.00 0.77 C ATOM 1975 C ARG B 31 12.605 21.173 5.699 1.00 0.76 C ATOM 1976 O ARG B 31 13.250 20.202 6.100 1.00 0.81 O ATOM 1977 CB ARG B 31 13.103 21.712 3.308 1.00 1.15 C ATOM 1978 CG ARG B 31 12.694 21.839 1.829 1.00 1.33 C ATOM 1979 CD ARG B 31 13.143 20.691 0.927 1.00 1.08 C ATOM 1980 NE ARG B 31 12.796 19.347 1.428 1.00 2.07 N ATOM 1981 CZ ARG B 31 12.552 18.284 0.667 1.00 2.39 C ATOM 1982 NH1 ARG B 31 12.552 18.327 -0.643 1.00 2.24 N ATOM 1983 NH2 ARG B 31 12.272 17.115 1.190 1.00 3.56 N ATOM 0 H ARG B 31 10.873 22.624 3.320 1.00 0.75 H new ATOM 0 HA ARG B 31 11.767 20.129 4.039 1.00 0.77 H new ATOM 0 HB2 ARG B 31 13.407 22.696 3.665 1.00 1.15 H new ATOM 0 HB3 ARG B 31 13.980 21.067 3.367 1.00 1.15 H new ATOM 0 HG2 ARG B 31 11.608 21.919 1.775 1.00 1.33 H new ATOM 0 HG3 ARG B 31 13.102 22.770 1.435 1.00 1.33 H new ATOM 0 HD2 ARG B 31 12.696 20.824 -0.058 1.00 1.08 H new ATOM 0 HD3 ARG B 31 14.224 20.749 0.798 1.00 1.08 H new ATOM 0 HE ARG B 31 12.739 19.223 2.439 1.00 2.07 H new ATOM 0 HH11 ARG B 31 12.745 19.205 -1.124 1.00 2.24 H new ATOM 0 HH12 ARG B 31 12.359 17.482 -1.181 1.00 2.24 H new ATOM 0 HH21 ARG B 31 12.237 17.005 2.203 1.00 3.56 H new ATOM 0 HH22 ARG B 31 12.089 16.316 0.583 1.00 3.56 H new ATOM 1997 N LYS B 32 12.399 22.257 6.459 1.00 0.87 N ATOM 1998 CA LYS B 32 12.801 22.373 7.866 1.00 0.97 C ATOM 1999 C LYS B 32 11.762 21.793 8.845 1.00 0.94 C ATOM 2000 O LYS B 32 12.152 20.955 9.657 1.00 1.10 O ATOM 2001 CB LYS B 32 13.168 23.842 8.172 1.00 1.11 C ATOM 2002 CG LYS B 32 14.673 24.139 8.024 1.00 1.41 C ATOM 2003 CD LYS B 32 15.276 23.785 6.653 1.00 2.89 C ATOM 2004 CE LYS B 32 16.771 24.129 6.645 1.00 3.86 C ATOM 2005 NZ LYS B 32 17.476 23.564 5.465 1.00 5.33 N ATOM 0 H LYS B 32 11.938 23.095 6.105 1.00 0.87 H new ATOM 0 HA LYS B 32 13.686 21.756 8.022 1.00 0.97 H new ATOM 0 HB2 LYS B 32 12.608 24.496 7.503 1.00 1.11 H new ATOM 0 HB3 LYS B 32 12.856 24.083 9.188 1.00 1.11 H new ATOM 0 HG2 LYS B 32 14.839 25.200 8.214 1.00 1.41 H new ATOM 0 HG3 LYS B 32 15.214 23.589 8.794 1.00 1.41 H new ATOM 0 HD2 LYS B 32 15.135 22.724 6.445 1.00 2.89 H new ATOM 0 HD3 LYS B 32 14.762 24.335 5.865 1.00 2.89 H new ATOM 0 HE2 LYS B 32 16.892 25.212 6.653 1.00 3.86 H new ATOM 0 HE3 LYS B 32 17.233 23.750 7.557 1.00 3.86 H new ATOM 0 HZ1 LYS B 32 18.415 23.221 5.753 1.00 5.33 H new ATOM 0 HZ2 LYS B 32 16.923 22.774 5.076 1.00 5.33 H new ATOM 0 HZ3 LYS B 32 17.584 24.301 4.739 1.00 5.33 H new ATOM 2019 N GLU B 33 10.481 22.157 8.749 1.00 0.88 N ATOM 2020 CA GLU B 33 9.477 21.627 9.685 1.00 0.91 C ATOM 2021 C GLU B 33 9.236 20.114 9.461 1.00 0.95 C ATOM 2022 O GLU B 33 8.976 19.389 10.417 1.00 1.09 O ATOM 2023 CB GLU B 33 8.209 22.489 9.620 1.00 1.11 C ATOM 2024 CG GLU B 33 7.230 22.255 10.784 1.00 1.49 C ATOM 2025 CD GLU B 33 7.630 22.848 12.148 1.00 2.22 C ATOM 2026 OE1 GLU B 33 8.688 22.474 12.702 1.00 2.88 O ATOM 2027 OE2 GLU B 33 6.791 23.595 12.709 1.00 3.22 O ATOM 0 H GLU B 33 10.116 22.803 8.049 1.00 0.88 H new ATOM 0 HA GLU B 33 9.849 21.696 10.707 1.00 0.91 H new ATOM 0 HB2 GLU B 33 8.497 23.540 9.608 1.00 1.11 H new ATOM 0 HB3 GLU B 33 7.694 22.289 8.680 1.00 1.11 H new ATOM 0 HG2 GLU B 33 6.261 22.668 10.503 1.00 1.49 H new ATOM 0 HG3 GLU B 33 7.095 21.180 10.906 1.00 1.49 H new ATOM 2034 N LEU B 34 9.477 19.583 8.249 1.00 0.86 N ATOM 2035 CA LEU B 34 9.658 18.155 7.967 1.00 0.78 C ATOM 2036 C LEU B 34 10.775 17.531 8.805 1.00 0.82 C ATOM 2037 O LEU B 34 10.538 16.561 9.523 1.00 0.94 O ATOM 2038 CB LEU B 34 9.996 18.014 6.473 1.00 0.79 C ATOM 2039 CG LEU B 34 10.430 16.601 6.035 1.00 0.85 C ATOM 2040 CD1 LEU B 34 9.278 15.588 6.138 1.00 1.06 C ATOM 2041 CD2 LEU B 34 11.048 16.722 4.639 1.00 1.44 C ATOM 0 H LEU B 34 9.553 20.160 7.412 1.00 0.86 H new ATOM 0 HA LEU B 34 8.739 17.628 8.224 1.00 0.78 H new ATOM 0 HB2 LEU B 34 9.124 18.307 5.889 1.00 0.79 H new ATOM 0 HB3 LEU B 34 10.794 18.715 6.228 1.00 0.79 H new ATOM 0 HG LEU B 34 11.185 16.196 6.709 1.00 0.85 H new ATOM 0 HD11 LEU B 34 9.628 14.606 5.820 1.00 1.06 H new ATOM 0 HD12 LEU B 34 8.933 15.533 7.170 1.00 1.06 H new ATOM 0 HD13 LEU B 34 8.456 15.906 5.497 1.00 1.06 H new ATOM 0 HD21 LEU B 34 11.368 15.738 4.296 1.00 1.44 H new ATOM 0 HD22 LEU B 34 10.308 17.125 3.947 1.00 1.44 H new ATOM 0 HD23 LEU B 34 11.909 17.390 4.679 1.00 1.44 H new ATOM 2053 N LYS B 35 12.007 18.046 8.698 1.00 0.76 N ATOM 2054 CA LYS B 35 13.140 17.553 9.489 1.00 0.83 C ATOM 2055 C LYS B 35 12.796 17.546 10.985 1.00 0.91 C ATOM 2056 O LYS B 35 13.196 16.625 11.693 1.00 1.08 O ATOM 2057 CB LYS B 35 14.374 18.437 9.206 1.00 0.96 C ATOM 2058 CG LYS B 35 15.539 18.084 10.142 1.00 1.52 C ATOM 2059 CD LYS B 35 16.808 18.896 9.877 1.00 1.50 C ATOM 2060 CE LYS B 35 17.457 18.491 8.545 1.00 2.19 C ATOM 2061 NZ LYS B 35 18.848 18.985 8.407 1.00 2.93 N ATOM 0 H LYS B 35 12.244 18.810 8.066 1.00 0.76 H new ATOM 0 HA LYS B 35 13.364 16.526 9.202 1.00 0.83 H new ATOM 0 HB2 LYS B 35 14.686 18.309 8.169 1.00 0.96 H new ATOM 0 HB3 LYS B 35 14.109 19.487 9.332 1.00 0.96 H new ATOM 0 HG2 LYS B 35 15.225 18.243 11.174 1.00 1.52 H new ATOM 0 HG3 LYS B 35 15.768 17.023 10.038 1.00 1.52 H new ATOM 0 HD2 LYS B 35 16.566 19.959 9.859 1.00 1.50 H new ATOM 0 HD3 LYS B 35 17.517 18.744 10.691 1.00 1.50 H new ATOM 0 HE2 LYS B 35 17.453 17.404 8.460 1.00 2.19 H new ATOM 0 HE3 LYS B 35 16.856 18.877 7.722 1.00 2.19 H new ATOM 0 HZ1 LYS B 35 19.389 18.335 7.801 1.00 2.93 H new ATOM 0 HZ2 LYS B 35 18.839 19.932 7.977 1.00 2.93 H new ATOM 0 HZ3 LYS B 35 19.293 19.035 9.345 1.00 2.93 H new ATOM 2075 N GLU B 36 12.069 18.565 11.425 1.00 0.83 N ATOM 2076 CA GLU B 36 11.728 18.815 12.811 1.00 0.81 C ATOM 2077 C GLU B 36 10.557 17.950 13.302 1.00 0.98 C ATOM 2078 O GLU B 36 10.604 17.476 14.430 1.00 1.24 O ATOM 2079 CB GLU B 36 11.483 20.313 12.978 1.00 0.79 C ATOM 2080 CG GLU B 36 11.747 20.763 14.411 1.00 1.09 C ATOM 2081 CD GLU B 36 13.193 20.558 14.904 1.00 1.92 C ATOM 2082 OE1 GLU B 36 14.126 20.414 14.086 1.00 2.94 O ATOM 2083 OE2 GLU B 36 13.341 20.562 16.145 1.00 2.59 O ATOM 0 H GLU B 36 11.686 19.269 10.794 1.00 0.83 H new ATOM 0 HA GLU B 36 12.560 18.518 13.450 1.00 0.81 H new ATOM 0 HB2 GLU B 36 12.128 20.867 12.296 1.00 0.79 H new ATOM 0 HB3 GLU B 36 10.454 20.548 12.705 1.00 0.79 H new ATOM 0 HG2 GLU B 36 11.497 21.821 14.495 1.00 1.09 H new ATOM 0 HG3 GLU B 36 11.073 20.222 15.075 1.00 1.09 H new ATOM 2090 N LEU B 37 9.585 17.611 12.447 1.00 0.89 N ATOM 2091 CA LEU B 37 8.662 16.493 12.658 1.00 0.84 C ATOM 2092 C LEU B 37 9.449 15.207 12.938 1.00 0.78 C ATOM 2093 O LEU B 37 9.240 14.538 13.952 1.00 0.77 O ATOM 2094 CB LEU B 37 7.725 16.371 11.426 1.00 0.87 C ATOM 2095 CG LEU B 37 7.017 15.012 11.204 1.00 0.80 C ATOM 2096 CD1 LEU B 37 5.991 14.632 12.274 1.00 1.24 C ATOM 2097 CD2 LEU B 37 6.329 15.015 9.828 1.00 1.09 C ATOM 0 H LEU B 37 9.416 18.114 11.576 1.00 0.89 H new ATOM 0 HA LEU B 37 8.037 16.672 13.533 1.00 0.84 H new ATOM 0 HB2 LEU B 37 6.958 17.141 11.508 1.00 0.87 H new ATOM 0 HB3 LEU B 37 8.310 16.596 10.534 1.00 0.87 H new ATOM 0 HG LEU B 37 7.804 14.260 11.266 1.00 0.80 H new ATOM 0 HD11 LEU B 37 5.551 13.665 12.029 1.00 1.24 H new ATOM 0 HD12 LEU B 37 6.483 14.571 13.245 1.00 1.24 H new ATOM 0 HD13 LEU B 37 5.207 15.388 12.311 1.00 1.24 H new ATOM 0 HD21 LEU B 37 5.830 14.059 9.669 1.00 1.09 H new ATOM 0 HD22 LEU B 37 5.594 15.819 9.790 1.00 1.09 H new ATOM 0 HD23 LEU B 37 7.075 15.169 9.048 1.00 1.09 H new ATOM 2109 N ILE B 38 10.403 14.900 12.054 1.00 0.80 N ATOM 2110 CA ILE B 38 11.302 13.734 12.123 1.00 0.82 C ATOM 2111 C ILE B 38 12.276 13.797 13.320 1.00 0.94 C ATOM 2112 O ILE B 38 12.874 12.783 13.644 1.00 1.21 O ATOM 2113 CB ILE B 38 11.993 13.559 10.743 1.00 0.90 C ATOM 2114 CG1 ILE B 38 10.931 13.256 9.664 1.00 1.16 C ATOM 2115 CG2 ILE B 38 13.067 12.456 10.713 1.00 1.25 C ATOM 2116 CD1 ILE B 38 11.453 13.554 8.260 1.00 1.47 C ATOM 0 H ILE B 38 10.581 15.480 11.234 1.00 0.80 H new ATOM 0 HA ILE B 38 10.720 12.835 12.323 1.00 0.82 H new ATOM 0 HB ILE B 38 12.505 14.500 10.543 1.00 0.90 H new ATOM 0 HG12 ILE B 38 10.635 12.209 9.728 1.00 1.16 H new ATOM 0 HG13 ILE B 38 10.038 13.851 9.855 1.00 1.16 H new ATOM 0 HG21 ILE B 38 13.501 12.398 9.715 1.00 1.25 H new ATOM 0 HG22 ILE B 38 13.849 12.690 11.436 1.00 1.25 H new ATOM 0 HG23 ILE B 38 12.612 11.499 10.967 1.00 1.25 H new ATOM 0 HD11 ILE B 38 10.678 13.328 7.528 1.00 1.47 H new ATOM 0 HD12 ILE B 38 11.724 14.607 8.189 1.00 1.47 H new ATOM 0 HD13 ILE B 38 12.331 12.939 8.060 1.00 1.47 H new ATOM 2128 N LYS B 39 12.424 14.939 13.995 1.00 1.13 N ATOM 2129 CA LYS B 39 13.229 15.110 15.214 1.00 1.27 C ATOM 2130 C LYS B 39 12.465 15.283 16.543 1.00 1.26 C ATOM 2131 O LYS B 39 13.033 14.972 17.590 1.00 1.24 O ATOM 2132 CB LYS B 39 14.135 16.336 14.994 1.00 1.56 C ATOM 2133 CG LYS B 39 15.505 15.950 14.438 1.00 1.72 C ATOM 2134 CD LYS B 39 16.386 15.365 15.547 1.00 2.23 C ATOM 2135 CE LYS B 39 17.698 14.903 14.926 1.00 2.41 C ATOM 2136 NZ LYS B 39 18.640 14.414 15.960 1.00 3.04 N ATOM 0 H LYS B 39 11.971 15.804 13.700 1.00 1.13 H new ATOM 0 HA LYS B 39 13.768 14.171 15.345 1.00 1.27 H new ATOM 0 HB2 LYS B 39 13.647 17.027 14.306 1.00 1.56 H new ATOM 0 HB3 LYS B 39 14.264 16.864 15.939 1.00 1.56 H new ATOM 0 HG2 LYS B 39 15.387 15.221 13.636 1.00 1.72 H new ATOM 0 HG3 LYS B 39 15.988 16.825 14.004 1.00 1.72 H new ATOM 0 HD2 LYS B 39 16.574 16.114 16.317 1.00 2.23 H new ATOM 0 HD3 LYS B 39 15.881 14.529 16.031 1.00 2.23 H new ATOM 0 HE2 LYS B 39 17.502 14.109 14.205 1.00 2.41 H new ATOM 0 HE3 LYS B 39 18.153 15.727 14.377 1.00 2.41 H new ATOM 0 HZ1 LYS B 39 19.592 14.331 15.551 1.00 3.04 H new ATOM 0 HZ2 LYS B 39 18.662 15.084 16.755 1.00 3.04 H new ATOM 0 HZ3 LYS B 39 18.328 13.483 16.301 1.00 3.04 H new ATOM 2150 N LYS B 40 11.238 15.816 16.536 1.00 1.38 N ATOM 2151 CA LYS B 40 10.466 16.147 17.746 1.00 1.66 C ATOM 2152 C LYS B 40 9.393 15.106 18.062 1.00 1.94 C ATOM 2153 O LYS B 40 9.149 14.814 19.228 1.00 2.19 O ATOM 2154 CB LYS B 40 9.774 17.496 17.569 1.00 1.79 C ATOM 2155 CG LYS B 40 10.704 18.691 17.801 1.00 1.81 C ATOM 2156 CD LYS B 40 9.788 19.911 17.895 1.00 2.72 C ATOM 2157 CE LYS B 40 10.474 21.196 18.384 1.00 2.83 C ATOM 2158 NZ LYS B 40 11.324 21.819 17.344 1.00 3.06 N ATOM 0 H LYS B 40 10.741 16.035 15.673 1.00 1.38 H new ATOM 0 HA LYS B 40 11.179 16.172 18.570 1.00 1.66 H new ATOM 0 HB2 LYS B 40 9.362 17.556 16.562 1.00 1.79 H new ATOM 0 HB3 LYS B 40 8.934 17.559 18.261 1.00 1.79 H new ATOM 0 HG2 LYS B 40 11.284 18.565 18.715 1.00 1.81 H new ATOM 0 HG3 LYS B 40 11.417 18.798 16.983 1.00 1.81 H new ATOM 0 HD2 LYS B 40 9.354 20.099 16.913 1.00 2.72 H new ATOM 0 HD3 LYS B 40 8.963 19.677 18.568 1.00 2.72 H new ATOM 0 HE2 LYS B 40 9.715 21.910 18.703 1.00 2.83 H new ATOM 0 HE3 LYS B 40 11.084 20.968 19.258 1.00 2.83 H new ATOM 0 HZ1 LYS B 40 11.763 22.681 17.725 1.00 3.06 H new ATOM 0 HZ2 LYS B 40 12.067 21.150 17.056 1.00 3.06 H new ATOM 0 HZ3 LYS B 40 10.740 22.063 16.519 1.00 3.06 H new ATOM 2172 N GLU B 41 8.739 14.597 17.015 1.00 1.99 N ATOM 2173 CA GLU B 41 7.985 13.345 17.102 1.00 2.08 C ATOM 2174 C GLU B 41 8.991 12.198 17.187 1.00 2.10 C ATOM 2175 O GLU B 41 9.065 11.537 18.218 1.00 2.76 O ATOM 2176 CB GLU B 41 6.954 13.232 15.952 1.00 2.26 C ATOM 2177 CG GLU B 41 6.901 11.921 15.147 1.00 1.97 C ATOM 2178 CD GLU B 41 6.548 10.704 16.009 1.00 3.76 C ATOM 2179 OE1 GLU B 41 5.414 10.699 16.520 1.00 4.73 O ATOM 2180 OE2 GLU B 41 7.354 9.748 16.109 1.00 4.86 O ATOM 0 H GLU B 41 8.717 15.035 16.094 1.00 1.99 H new ATOM 0 HA GLU B 41 7.372 13.307 18.003 1.00 2.08 H new ATOM 0 HB2 GLU B 41 5.964 13.403 16.375 1.00 2.26 H new ATOM 0 HB3 GLU B 41 7.146 14.045 15.252 1.00 2.26 H new ATOM 0 HG2 GLU B 41 6.165 12.020 14.349 1.00 1.97 H new ATOM 0 HG3 GLU B 41 7.867 11.754 14.670 1.00 1.97 H new ATOM 2187 N LEU B 42 9.817 11.996 16.152 1.00 1.75 N ATOM 2188 CA LEU B 42 10.746 10.876 16.130 1.00 1.74 C ATOM 2189 C LEU B 42 12.010 11.289 16.875 1.00 1.78 C ATOM 2190 O LEU B 42 12.818 12.066 16.382 1.00 1.70 O ATOM 2191 CB LEU B 42 10.965 10.341 14.694 1.00 1.85 C ATOM 2192 CG LEU B 42 10.694 8.826 14.574 1.00 1.84 C ATOM 2193 CD1 LEU B 42 10.793 8.391 13.104 1.00 2.04 C ATOM 2194 CD2 LEU B 42 11.661 7.978 15.415 1.00 2.35 C ATOM 0 H LEU B 42 9.856 12.594 15.327 1.00 1.75 H new ATOM 0 HA LEU B 42 10.334 10.014 16.655 1.00 1.74 H new ATOM 0 HB2 LEU B 42 10.311 10.878 14.007 1.00 1.85 H new ATOM 0 HB3 LEU B 42 11.990 10.548 14.386 1.00 1.85 H new ATOM 0 HG LEU B 42 9.688 8.657 14.958 1.00 1.84 H new ATOM 0 HD11 LEU B 42 10.601 7.321 13.027 1.00 2.04 H new ATOM 0 HD12 LEU B 42 10.056 8.935 12.513 1.00 2.04 H new ATOM 0 HD13 LEU B 42 11.792 8.608 12.727 1.00 2.04 H new ATOM 0 HD21 LEU B 42 11.422 6.922 15.290 1.00 2.35 H new ATOM 0 HD22 LEU B 42 12.684 8.159 15.086 1.00 2.35 H new ATOM 0 HD23 LEU B 42 11.564 8.250 16.466 1.00 2.35 H new ATOM 2206 N CYS B 43 12.177 10.798 18.103 1.00 2.23 N ATOM 2207 CA CYS B 43 13.306 11.150 18.966 1.00 2.50 C ATOM 2208 C CYS B 43 14.628 10.519 18.471 1.00 2.66 C ATOM 2209 O CYS B 43 15.171 9.592 19.077 1.00 3.07 O ATOM 2210 CB CYS B 43 12.940 10.804 20.416 1.00 2.64 C ATOM 2211 SG CYS B 43 14.254 11.382 21.525 1.00 3.63 S ATOM 0 H CYS B 43 11.527 10.139 18.531 1.00 2.23 H new ATOM 0 HA CYS B 43 13.496 12.222 18.923 1.00 2.50 H new ATOM 0 HB2 CYS B 43 11.992 11.270 20.684 1.00 2.64 H new ATOM 0 HB3 CYS B 43 12.807 9.727 20.522 1.00 2.64 H new ATOM 0 HG CYS B 43 13.944 11.091 22.754 1.00 3.63 H new ATOM 2217 N LEU B 44 15.160 11.015 17.348 1.00 3.16 N ATOM 2218 CA LEU B 44 16.382 10.582 16.680 1.00 3.54 C ATOM 2219 C LEU B 44 17.637 10.990 17.436 1.00 3.69 C ATOM 2220 O LEU B 44 18.372 11.919 17.091 1.00 4.89 O ATOM 2221 CB LEU B 44 16.354 11.116 15.256 1.00 4.47 C ATOM 2222 CG LEU B 44 15.250 10.456 14.415 1.00 4.55 C ATOM 2223 CD1 LEU B 44 15.379 11.053 13.025 1.00 5.36 C ATOM 2224 CD2 LEU B 44 15.267 8.919 14.388 1.00 4.14 C ATOM 0 H LEU B 44 14.712 11.784 16.851 1.00 3.16 H new ATOM 0 HA LEU B 44 16.419 9.493 16.657 1.00 3.54 H new ATOM 0 HB2 LEU B 44 16.198 12.195 15.276 1.00 4.47 H new ATOM 0 HB3 LEU B 44 17.321 10.942 14.785 1.00 4.47 H new ATOM 0 HG LEU B 44 14.283 10.666 14.873 1.00 4.55 H new ATOM 0 HD11 LEU B 44 14.618 10.624 12.373 1.00 5.36 H new ATOM 0 HD12 LEU B 44 15.243 12.133 13.079 1.00 5.36 H new ATOM 0 HD13 LEU B 44 16.368 10.831 12.624 1.00 5.36 H new ATOM 0 HD21 LEU B 44 14.448 8.557 13.767 1.00 4.14 H new ATOM 0 HD22 LEU B 44 16.215 8.573 13.976 1.00 4.14 H new ATOM 0 HD23 LEU B 44 15.151 8.536 15.402 1.00 4.14 H new ATOM 2236 N GLY B 45 17.847 10.208 18.478 1.00 3.00 N ATOM 2237 CA GLY B 45 18.989 10.209 19.400 1.00 3.51 C ATOM 2238 C GLY B 45 19.831 8.933 19.338 1.00 2.86 C ATOM 2239 O GLY B 45 20.719 8.752 20.159 1.00 3.72 O ATOM 0 H GLY B 45 17.169 9.490 18.731 1.00 3.00 H new ATOM 0 HA2 GLY B 45 19.625 11.065 19.175 1.00 3.51 H new ATOM 0 HA3 GLY B 45 18.623 10.343 20.418 1.00 3.51 H new ATOM 2242 N GLU B 46 19.547 8.035 18.391 1.00 2.24 N ATOM 2243 CA GLU B 46 20.066 6.662 18.362 1.00 2.64 C ATOM 2244 C GLU B 46 20.177 6.142 16.917 1.00 2.68 C ATOM 2245 O GLU B 46 19.522 5.183 16.517 1.00 4.19 O ATOM 2246 CB GLU B 46 19.207 5.751 19.263 1.00 3.70 C ATOM 2247 CG GLU B 46 17.700 5.827 18.946 1.00 3.90 C ATOM 2248 CD GLU B 46 16.932 4.623 19.491 1.00 4.77 C ATOM 2249 OE1 GLU B 46 17.206 3.498 19.019 1.00 5.51 O ATOM 2250 OE2 GLU B 46 16.073 4.827 20.376 1.00 5.57 O ATOM 0 H GLU B 46 18.935 8.246 17.603 1.00 2.24 H new ATOM 0 HA GLU B 46 21.078 6.654 18.766 1.00 2.64 H new ATOM 0 HB2 GLU B 46 19.543 4.720 19.152 1.00 3.70 H new ATOM 0 HB3 GLU B 46 19.367 6.028 20.305 1.00 3.70 H new ATOM 0 HG2 GLU B 46 17.287 6.742 19.371 1.00 3.90 H new ATOM 0 HG3 GLU B 46 17.560 5.886 17.867 1.00 3.90 H new ATOM 2257 N MET B 47 21.000 6.808 16.107 1.00 2.21 N ATOM 2258 CA MET B 47 21.289 6.406 14.734 1.00 3.07 C ATOM 2259 C MET B 47 22.223 5.203 14.711 1.00 1.88 C ATOM 2260 O MET B 47 23.312 5.211 15.273 1.00 2.20 O ATOM 2261 CB MET B 47 21.878 7.566 13.921 1.00 5.05 C ATOM 2262 CG MET B 47 20.785 8.574 13.559 1.00 6.49 C ATOM 2263 SD MET B 47 19.490 7.876 12.504 1.00 7.02 S ATOM 2264 CE MET B 47 18.281 9.194 12.634 1.00 6.83 C ATOM 0 H MET B 47 21.491 7.655 16.393 1.00 2.21 H new ATOM 0 HA MET B 47 20.346 6.121 14.267 1.00 3.07 H new ATOM 0 HB2 MET B 47 22.661 8.060 14.496 1.00 5.05 H new ATOM 0 HB3 MET B 47 22.343 7.183 13.013 1.00 5.05 H new ATOM 0 HG2 MET B 47 20.333 8.954 14.475 1.00 6.49 H new ATOM 0 HG3 MET B 47 21.239 9.425 13.051 1.00 6.49 H new ATOM 0 HE1 MET B 47 17.355 8.888 12.147 1.00 6.83 H new ATOM 0 HE2 MET B 47 18.085 9.405 13.685 1.00 6.83 H new ATOM 0 HE3 MET B 47 18.667 10.091 12.149 1.00 6.83 H new ATOM 2274 N LYS B 48 21.750 4.155 14.055 1.00 2.04 N ATOM 2275 CA LYS B 48 22.379 2.841 13.991 1.00 3.11 C ATOM 2276 C LYS B 48 23.598 2.742 13.048 1.00 4.44 C ATOM 2277 O LYS B 48 24.446 1.877 13.248 1.00 6.43 O ATOM 2278 CB LYS B 48 21.252 1.882 13.579 1.00 3.72 C ATOM 2279 CG LYS B 48 21.034 0.728 14.553 1.00 4.22 C ATOM 2280 CD LYS B 48 19.861 0.916 15.537 1.00 4.46 C ATOM 2281 CE LYS B 48 19.965 2.205 16.364 1.00 5.06 C ATOM 2282 NZ LYS B 48 18.672 2.603 16.967 1.00 6.46 N ATOM 0 H LYS B 48 20.878 4.197 13.528 1.00 2.04 H new ATOM 0 HA LYS B 48 22.815 2.594 14.959 1.00 3.11 H new ATOM 0 HB2 LYS B 48 20.324 2.446 13.486 1.00 3.72 H new ATOM 0 HB3 LYS B 48 21.477 1.475 12.593 1.00 3.72 H new ATOM 0 HG2 LYS B 48 20.865 -0.184 13.980 1.00 4.22 H new ATOM 0 HG3 LYS B 48 21.949 0.579 15.126 1.00 4.22 H new ATOM 0 HD2 LYS B 48 18.925 0.925 14.979 1.00 4.46 H new ATOM 0 HD3 LYS B 48 19.821 0.061 16.212 1.00 4.46 H new ATOM 0 HE2 LYS B 48 20.702 2.066 17.155 1.00 5.06 H new ATOM 0 HE3 LYS B 48 20.328 3.012 15.728 1.00 5.06 H new ATOM 0 HZ1 LYS B 48 18.548 3.632 16.875 1.00 6.46 H new ATOM 0 HZ2 LYS B 48 17.895 2.116 16.476 1.00 6.46 H new ATOM 0 HZ3 LYS B 48 18.663 2.341 17.974 1.00 6.46 H new ATOM 2296 N GLU B 49 23.677 3.645 12.072 1.00 3.77 N ATOM 2297 CA GLU B 49 24.830 3.933 11.215 1.00 4.72 C ATOM 2298 C GLU B 49 24.715 5.389 10.693 1.00 3.32 C ATOM 2299 O GLU B 49 23.756 6.096 11.019 1.00 2.98 O ATOM 2300 CB GLU B 49 24.996 2.806 10.156 1.00 6.60 C ATOM 2301 CG GLU B 49 24.823 3.143 8.665 1.00 7.80 C ATOM 2302 CD GLU B 49 26.053 3.756 7.976 1.00 8.35 C ATOM 2303 OE1 GLU B 49 27.129 3.853 8.616 1.00 8.53 O ATOM 2304 OE2 GLU B 49 25.898 4.267 6.845 1.00 8.96 O ATOM 0 H GLU B 49 22.880 4.238 11.841 1.00 3.77 H new ATOM 0 HA GLU B 49 25.775 3.911 11.757 1.00 4.72 H new ATOM 0 HB2 GLU B 49 25.992 2.382 10.283 1.00 6.60 H new ATOM 0 HB3 GLU B 49 24.281 2.020 10.399 1.00 6.60 H new ATOM 0 HG2 GLU B 49 24.548 2.231 8.134 1.00 7.80 H new ATOM 0 HG3 GLU B 49 23.988 3.836 8.562 1.00 7.80 H new ATOM 2311 N SER B 50 25.713 5.827 9.930 1.00 3.35 N ATOM 2312 CA SER B 50 25.772 6.971 8.997 1.00 2.57 C ATOM 2313 C SER B 50 24.683 6.942 7.885 1.00 2.31 C ATOM 2314 O SER B 50 23.636 6.325 8.050 1.00 3.39 O ATOM 2315 CB SER B 50 27.187 6.999 8.349 1.00 2.67 C ATOM 2316 OG SER B 50 28.172 6.202 8.997 1.00 3.35 O ATOM 0 H SER B 50 26.608 5.338 9.946 1.00 3.35 H new ATOM 0 HA SER B 50 25.575 7.872 9.577 1.00 2.57 H new ATOM 0 HB2 SER B 50 27.100 6.669 7.314 1.00 2.67 H new ATOM 0 HB3 SER B 50 27.537 8.031 8.326 1.00 2.67 H new ATOM 0 HG SER B 50 28.104 5.277 8.681 1.00 3.35 H new ATOM 2322 N SER B 51 24.871 7.636 6.748 1.00 1.72 N ATOM 2323 CA SER B 51 24.050 7.542 5.506 1.00 1.75 C ATOM 2324 C SER B 51 22.668 8.215 5.612 1.00 1.61 C ATOM 2325 O SER B 51 22.244 8.922 4.702 1.00 1.90 O ATOM 2326 CB SER B 51 23.913 6.089 5.023 1.00 2.11 C ATOM 2327 OG SER B 51 25.189 5.531 4.775 1.00 2.47 O ATOM 0 H SER B 51 25.631 8.310 6.656 1.00 1.72 H new ATOM 0 HA SER B 51 24.605 8.109 4.758 1.00 1.75 H new ATOM 0 HB2 SER B 51 23.390 5.497 5.774 1.00 2.11 H new ATOM 0 HB3 SER B 51 23.311 6.056 4.115 1.00 2.11 H new ATOM 0 HG SER B 51 25.496 5.049 5.571 1.00 2.47 H new ATOM 2333 N ILE B 52 22.023 8.105 6.776 1.00 1.58 N ATOM 2334 CA ILE B 52 20.900 8.926 7.258 1.00 1.42 C ATOM 2335 C ILE B 52 21.157 10.435 7.169 1.00 1.25 C ATOM 2336 O ILE B 52 20.212 11.221 7.200 1.00 1.23 O ATOM 2337 CB ILE B 52 20.569 8.526 8.721 1.00 1.65 C ATOM 2338 CG1 ILE B 52 21.695 8.840 9.747 1.00 2.30 C ATOM 2339 CG2 ILE B 52 20.220 7.030 8.790 1.00 1.98 C ATOM 2340 CD1 ILE B 52 21.573 10.224 10.403 1.00 2.32 C ATOM 0 H ILE B 52 22.287 7.392 7.456 1.00 1.58 H new ATOM 0 HA ILE B 52 20.054 8.727 6.601 1.00 1.42 H new ATOM 0 HB ILE B 52 19.716 9.142 9.007 1.00 1.65 H new ATOM 0 HG12 ILE B 52 21.686 8.078 10.526 1.00 2.30 H new ATOM 0 HG13 ILE B 52 22.660 8.771 9.245 1.00 2.30 H new ATOM 0 HG21 ILE B 52 19.989 6.757 9.820 1.00 1.98 H new ATOM 0 HG22 ILE B 52 19.355 6.829 8.159 1.00 1.98 H new ATOM 0 HG23 ILE B 52 21.069 6.442 8.441 1.00 1.98 H new ATOM 0 HD11 ILE B 52 22.394 10.368 11.105 1.00 2.32 H new ATOM 0 HD12 ILE B 52 21.614 10.996 9.634 1.00 2.32 H new ATOM 0 HD13 ILE B 52 20.624 10.292 10.936 1.00 2.32 H new ATOM 2352 N ASP B 53 22.422 10.836 7.094 1.00 1.39 N ATOM 2353 CA ASP B 53 22.876 12.216 7.075 1.00 1.43 C ATOM 2354 C ASP B 53 23.164 12.737 5.657 1.00 1.43 C ATOM 2355 O ASP B 53 23.249 13.947 5.474 1.00 1.61 O ATOM 2356 CB ASP B 53 24.063 12.349 8.038 1.00 1.70 C ATOM 2357 CG ASP B 53 24.308 13.798 8.480 1.00 2.11 C ATOM 2358 OD1 ASP B 53 23.308 14.506 8.767 1.00 2.58 O ATOM 2359 OD2 ASP B 53 25.495 14.161 8.619 1.00 3.11 O ATOM 0 H ASP B 53 23.194 10.172 7.042 1.00 1.39 H new ATOM 0 HA ASP B 53 22.073 12.865 7.423 1.00 1.43 H new ATOM 0 HB2 ASP B 53 23.883 11.731 8.917 1.00 1.70 H new ATOM 0 HB3 ASP B 53 24.962 11.964 7.556 1.00 1.70 H new ATOM 2364 N ASP B 54 23.160 11.877 4.622 1.00 1.41 N ATOM 2365 CA ASP B 54 22.756 12.380 3.298 1.00 1.36 C ATOM 2366 C ASP B 54 21.313 12.850 3.391 1.00 1.01 C ATOM 2367 O ASP B 54 21.018 13.946 2.941 1.00 1.04 O ATOM 2368 CB ASP B 54 22.864 11.362 2.146 1.00 1.83 C ATOM 2369 CG ASP B 54 22.500 12.031 0.796 1.00 2.16 C ATOM 2370 OD1 ASP B 54 21.311 12.376 0.568 1.00 3.23 O ATOM 2371 OD2 ASP B 54 23.435 12.260 -0.002 1.00 2.24 O ATOM 0 H ASP B 54 23.415 10.890 4.667 1.00 1.41 H new ATOM 0 HA ASP B 54 23.454 13.180 3.052 1.00 1.36 H new ATOM 0 HB2 ASP B 54 23.877 10.962 2.099 1.00 1.83 H new ATOM 0 HB3 ASP B 54 22.198 10.520 2.333 1.00 1.83 H new ATOM 2376 N LEU B 55 20.416 12.073 4.011 1.00 0.90 N ATOM 2377 CA LEU B 55 18.994 12.408 4.051 1.00 0.94 C ATOM 2378 C LEU B 55 18.795 13.720 4.824 1.00 0.99 C ATOM 2379 O LEU B 55 18.173 14.657 4.320 1.00 1.11 O ATOM 2380 CB LEU B 55 18.170 11.234 4.621 1.00 0.99 C ATOM 2381 CG LEU B 55 18.581 9.825 4.154 1.00 1.12 C ATOM 2382 CD1 LEU B 55 17.652 8.787 4.799 1.00 1.17 C ATOM 2383 CD2 LEU B 55 18.542 9.698 2.625 1.00 1.22 C ATOM 0 H LEU B 55 20.655 11.206 4.492 1.00 0.90 H new ATOM 0 HA LEU B 55 18.623 12.570 3.039 1.00 0.94 H new ATOM 0 HB2 LEU B 55 18.234 11.267 5.709 1.00 0.99 H new ATOM 0 HB3 LEU B 55 17.124 11.390 4.358 1.00 0.99 H new ATOM 0 HG LEU B 55 19.610 9.646 4.467 1.00 1.12 H new ATOM 0 HD11 LEU B 55 17.939 7.788 4.471 1.00 1.17 H new ATOM 0 HD12 LEU B 55 17.734 8.850 5.884 1.00 1.17 H new ATOM 0 HD13 LEU B 55 16.623 8.985 4.500 1.00 1.17 H new ATOM 0 HD21 LEU B 55 18.838 8.690 2.336 1.00 1.22 H new ATOM 0 HD22 LEU B 55 17.531 9.895 2.269 1.00 1.22 H new ATOM 0 HD23 LEU B 55 19.229 10.419 2.182 1.00 1.22 H new ATOM 2395 N MET B 56 19.396 13.846 6.012 1.00 1.07 N ATOM 2396 CA MET B 56 19.340 15.084 6.795 1.00 1.29 C ATOM 2397 C MET B 56 20.135 16.261 6.200 1.00 1.42 C ATOM 2398 O MET B 56 19.657 17.393 6.327 1.00 1.68 O ATOM 2399 CB MET B 56 19.693 14.804 8.261 1.00 1.42 C ATOM 2400 CG MET B 56 18.645 13.888 8.898 1.00 1.31 C ATOM 2401 SD MET B 56 16.978 14.596 8.980 1.00 1.44 S ATOM 2402 CE MET B 56 16.599 14.159 10.685 1.00 1.80 C ATOM 0 H MET B 56 19.931 13.099 6.455 1.00 1.07 H new ATOM 0 HA MET B 56 18.307 15.430 6.748 1.00 1.29 H new ATOM 0 HB2 MET B 56 20.677 14.339 8.322 1.00 1.42 H new ATOM 0 HB3 MET B 56 19.749 15.742 8.813 1.00 1.42 H new ATOM 0 HG2 MET B 56 18.603 12.957 8.333 1.00 1.31 H new ATOM 0 HG3 MET B 56 18.968 13.634 9.908 1.00 1.31 H new ATOM 0 HE1 MET B 56 15.599 14.512 10.937 1.00 1.80 H new ATOM 0 HE2 MET B 56 16.642 13.076 10.801 1.00 1.80 H new ATOM 0 HE3 MET B 56 17.326 14.624 11.350 1.00 1.80 H new ATOM 2412 N LYS B 57 21.247 16.064 5.477 1.00 1.27 N ATOM 2413 CA LYS B 57 21.836 17.138 4.647 1.00 1.24 C ATOM 2414 C LYS B 57 21.009 17.415 3.375 1.00 1.17 C ATOM 2415 O LYS B 57 20.989 18.521 2.845 1.00 1.25 O ATOM 2416 CB LYS B 57 23.316 16.826 4.332 1.00 1.28 C ATOM 2417 CG LYS B 57 24.065 17.901 3.510 1.00 1.40 C ATOM 2418 CD LYS B 57 23.854 19.331 4.031 1.00 2.13 C ATOM 2419 CE LYS B 57 24.545 20.400 3.169 1.00 3.77 C ATOM 2420 NZ LYS B 57 23.819 21.700 3.210 1.00 5.15 N ATOM 0 H LYS B 57 21.757 15.181 5.446 1.00 1.27 H new ATOM 0 HA LYS B 57 21.807 18.062 5.225 1.00 1.24 H new ATOM 0 HB2 LYS B 57 23.846 16.679 5.273 1.00 1.28 H new ATOM 0 HB3 LYS B 57 23.362 15.882 3.789 1.00 1.28 H new ATOM 0 HG2 LYS B 57 25.131 17.674 3.517 1.00 1.40 H new ATOM 0 HG3 LYS B 57 23.735 17.849 2.473 1.00 1.40 H new ATOM 0 HD2 LYS B 57 22.785 19.542 4.071 1.00 2.13 H new ATOM 0 HD3 LYS B 57 24.231 19.398 5.052 1.00 2.13 H new ATOM 0 HE2 LYS B 57 25.567 20.544 3.519 1.00 3.77 H new ATOM 0 HE3 LYS B 57 24.607 20.051 2.138 1.00 3.77 H new ATOM 0 HZ1 LYS B 57 24.455 22.463 2.901 1.00 5.15 H new ATOM 0 HZ2 LYS B 57 22.995 21.658 2.576 1.00 5.15 H new ATOM 0 HZ3 LYS B 57 23.499 21.889 4.181 1.00 5.15 H new ATOM 2434 N SER B 58 20.229 16.460 2.905 1.00 1.11 N ATOM 2435 CA SER B 58 19.303 16.591 1.776 1.00 1.18 C ATOM 2436 C SER B 58 18.063 17.425 2.131 1.00 1.31 C ATOM 2437 O SER B 58 17.546 18.120 1.265 1.00 1.47 O ATOM 2438 CB SER B 58 18.957 15.230 1.142 1.00 1.22 C ATOM 2439 OG SER B 58 20.026 14.809 0.300 1.00 1.89 O ATOM 0 H SER B 58 20.217 15.525 3.313 1.00 1.11 H new ATOM 0 HA SER B 58 19.827 17.154 1.004 1.00 1.18 H new ATOM 0 HB2 SER B 58 18.781 14.489 1.921 1.00 1.22 H new ATOM 0 HB3 SER B 58 18.036 15.310 0.565 1.00 1.22 H new ATOM 0 HG SER B 58 20.318 13.912 0.566 1.00 1.89 H new ATOM 2445 N LEU B 59 17.665 17.503 3.406 1.00 1.35 N ATOM 2446 CA LEU B 59 16.717 18.517 3.923 1.00 1.60 C ATOM 2447 C LEU B 59 17.352 19.903 4.174 1.00 1.74 C ATOM 2448 O LEU B 59 16.743 20.840 4.698 1.00 2.76 O ATOM 2449 CB LEU B 59 16.046 17.959 5.181 1.00 1.65 C ATOM 2450 CG LEU B 59 15.308 16.626 4.957 1.00 1.49 C ATOM 2451 CD1 LEU B 59 14.486 16.331 6.208 1.00 1.53 C ATOM 2452 CD2 LEU B 59 14.437 16.619 3.691 1.00 1.49 C ATOM 0 H LEU B 59 17.993 16.857 4.124 1.00 1.35 H new ATOM 0 HA LEU B 59 15.971 18.702 3.150 1.00 1.60 H new ATOM 0 HB2 LEU B 59 16.803 17.818 5.952 1.00 1.65 H new ATOM 0 HB3 LEU B 59 15.338 18.696 5.560 1.00 1.65 H new ATOM 0 HG LEU B 59 16.045 15.840 4.790 1.00 1.49 H new ATOM 0 HD11 LEU B 59 13.951 15.390 6.078 1.00 1.53 H new ATOM 0 HD12 LEU B 59 15.149 16.255 7.070 1.00 1.53 H new ATOM 0 HD13 LEU B 59 13.770 17.136 6.371 1.00 1.53 H new ATOM 0 HD21 LEU B 59 13.945 15.651 3.593 1.00 1.49 H new ATOM 0 HD22 LEU B 59 13.683 17.403 3.764 1.00 1.49 H new ATOM 0 HD23 LEU B 59 15.064 16.798 2.817 1.00 1.49 H new ATOM 2464 N ASP B 60 18.622 20.014 3.831 1.00 1.20 N ATOM 2465 CA ASP B 60 19.422 21.239 3.728 1.00 1.36 C ATOM 2466 C ASP B 60 20.091 21.342 2.327 1.00 1.58 C ATOM 2467 O ASP B 60 21.142 21.955 2.160 1.00 2.48 O ATOM 2468 CB ASP B 60 20.370 21.260 4.945 1.00 1.40 C ATOM 2469 CG ASP B 60 20.982 22.628 5.243 1.00 2.19 C ATOM 2470 OD1 ASP B 60 20.188 23.495 5.675 1.00 2.39 O ATOM 2471 OD2 ASP B 60 22.222 22.753 5.095 1.00 3.49 O ATOM 0 H ASP B 60 19.173 19.188 3.597 1.00 1.20 H new ATOM 0 HA ASP B 60 18.822 22.148 3.778 1.00 1.36 H new ATOM 0 HB2 ASP B 60 19.821 20.921 5.824 1.00 1.40 H new ATOM 0 HB3 ASP B 60 21.175 20.544 4.776 1.00 1.40 H new ATOM 2476 N LYS B 61 19.480 20.704 1.315 1.00 1.23 N ATOM 2477 CA LYS B 61 19.658 20.951 -0.131 1.00 1.54 C ATOM 2478 C LYS B 61 18.842 22.169 -0.630 1.00 1.49 C ATOM 2479 O LYS B 61 19.115 22.697 -1.702 1.00 2.01 O ATOM 2480 CB LYS B 61 19.198 19.673 -0.865 1.00 1.76 C ATOM 2481 CG LYS B 61 19.846 19.405 -2.230 1.00 2.34 C ATOM 2482 CD LYS B 61 21.265 18.819 -2.128 1.00 2.60 C ATOM 2483 CE LYS B 61 21.385 17.469 -1.394 1.00 3.66 C ATOM 2484 NZ LYS B 61 20.516 16.394 -1.943 1.00 4.83 N ATOM 0 H LYS B 61 18.808 19.957 1.492 1.00 1.23 H new ATOM 0 HA LYS B 61 20.704 21.182 -0.331 1.00 1.54 H new ATOM 0 HB2 LYS B 61 19.394 18.817 -0.219 1.00 1.76 H new ATOM 0 HB3 LYS B 61 18.118 19.727 -1.003 1.00 1.76 H new ATOM 0 HG2 LYS B 61 19.216 18.717 -2.794 1.00 2.34 H new ATOM 0 HG3 LYS B 61 19.885 20.337 -2.794 1.00 2.34 H new ATOM 0 HD2 LYS B 61 21.661 18.699 -3.136 1.00 2.60 H new ATOM 0 HD3 LYS B 61 21.901 19.544 -1.620 1.00 2.60 H new ATOM 0 HE2 LYS B 61 22.423 17.138 -1.435 1.00 3.66 H new ATOM 0 HE3 LYS B 61 21.139 17.617 -0.343 1.00 3.66 H new ATOM 0 HZ1 LYS B 61 20.444 15.619 -1.253 1.00 4.83 H new ATOM 0 HZ2 LYS B 61 19.568 16.777 -2.133 1.00 4.83 H new ATOM 0 HZ3 LYS B 61 20.927 16.033 -2.827 1.00 4.83 H new ATOM 2498 N ASN B 62 17.850 22.575 0.161 1.00 1.16 N ATOM 2499 CA ASN B 62 16.851 23.636 -0.016 1.00 1.38 C ATOM 2500 C ASN B 62 15.953 23.661 1.237 1.00 1.59 C ATOM 2501 O ASN B 62 15.940 22.699 2.012 1.00 3.42 O ATOM 2502 CB ASN B 62 16.077 23.553 -1.342 1.00 1.50 C ATOM 2503 CG ASN B 62 15.308 22.266 -1.554 1.00 2.64 C ATOM 2504 OD1 ASN B 62 15.697 21.179 -1.149 1.00 3.33 O ATOM 2505 ND2 ASN B 62 14.175 22.335 -2.205 1.00 3.81 N ATOM 0 H ASN B 62 17.708 22.109 1.057 1.00 1.16 H new ATOM 0 HA ASN B 62 17.362 24.595 -0.105 1.00 1.38 H new ATOM 0 HB2 ASN B 62 15.378 24.388 -1.391 1.00 1.50 H new ATOM 0 HB3 ASN B 62 16.781 23.678 -2.165 1.00 1.50 H new ATOM 0 HD21 ASN B 62 13.629 21.489 -2.369 1.00 3.81 H new ATOM 0 HD22 ASN B 62 13.838 23.234 -2.549 1.00 3.81 H new ATOM 2512 N SER B 63 15.268 24.766 1.511 1.00 1.30 N ATOM 2513 CA SER B 63 14.725 25.047 2.852 1.00 1.33 C ATOM 2514 C SER B 63 13.271 25.527 2.877 1.00 1.24 C ATOM 2515 O SER B 63 12.617 25.420 3.915 1.00 1.48 O ATOM 2516 CB SER B 63 15.629 26.037 3.607 1.00 1.76 C ATOM 2517 OG SER B 63 16.474 26.839 2.800 1.00 2.44 O ATOM 0 H SER B 63 15.070 25.492 0.822 1.00 1.30 H new ATOM 0 HA SER B 63 14.717 24.082 3.359 1.00 1.33 H new ATOM 0 HB2 SER B 63 14.997 26.695 4.204 1.00 1.76 H new ATOM 0 HB3 SER B 63 16.250 25.474 4.303 1.00 1.76 H new ATOM 0 HG SER B 63 16.061 27.717 2.666 1.00 2.44 H new ATOM 2523 N ASP B 64 12.762 26.005 1.746 1.00 1.27 N ATOM 2524 CA ASP B 64 11.918 27.211 1.688 1.00 1.45 C ATOM 2525 C ASP B 64 10.595 26.925 0.964 1.00 1.43 C ATOM 2526 O ASP B 64 9.857 27.825 0.566 1.00 1.98 O ATOM 2527 CB ASP B 64 12.697 28.308 0.925 1.00 2.13 C ATOM 2528 CG ASP B 64 14.218 28.122 0.976 1.00 3.32 C ATOM 2529 OD1 ASP B 64 14.711 27.249 0.216 1.00 4.43 O ATOM 2530 OD2 ASP B 64 14.874 28.690 1.870 1.00 3.91 O ATOM 0 H ASP B 64 12.919 25.571 0.836 1.00 1.27 H new ATOM 0 HA ASP B 64 11.683 27.535 2.702 1.00 1.45 H new ATOM 0 HB2 ASP B 64 12.374 28.315 -0.116 1.00 2.13 H new ATOM 0 HB3 ASP B 64 12.443 29.282 1.344 1.00 2.13 H new ATOM 2535 N GLN B 65 10.376 25.640 0.713 1.00 1.32 N ATOM 2536 CA GLN B 65 9.352 25.094 -0.150 1.00 1.39 C ATOM 2537 C GLN B 65 8.711 23.930 0.584 1.00 1.09 C ATOM 2538 O GLN B 65 9.420 23.223 1.316 1.00 0.89 O ATOM 2539 CB GLN B 65 10.051 24.549 -1.401 1.00 1.53 C ATOM 2540 CG GLN B 65 10.655 25.645 -2.294 1.00 2.40 C ATOM 2541 CD GLN B 65 11.535 25.050 -3.386 1.00 2.53 C ATOM 2542 OE1 GLN B 65 12.554 24.431 -3.126 1.00 2.63 O ATOM 2543 NE2 GLN B 65 11.196 25.200 -4.647 1.00 3.45 N ATOM 0 H GLN B 65 10.949 24.910 1.137 1.00 1.32 H new ATOM 0 HA GLN B 65 8.606 25.843 -0.416 1.00 1.39 H new ATOM 0 HB2 GLN B 65 10.842 23.864 -1.096 1.00 1.53 H new ATOM 0 HB3 GLN B 65 9.335 23.970 -1.984 1.00 1.53 H new ATOM 0 HG2 GLN B 65 9.854 26.229 -2.748 1.00 2.40 H new ATOM 0 HG3 GLN B 65 11.243 26.331 -1.684 1.00 2.40 H new ATOM 0 HE21 GLN B 65 10.349 25.713 -4.890 1.00 3.45 H new ATOM 0 HE22 GLN B 65 11.780 24.803 -5.383 1.00 3.45 H new ATOM 2552 N GLU B 66 7.411 23.699 0.376 1.00 1.33 N ATOM 2553 CA GLU B 66 6.753 22.570 1.008 1.00 1.24 C ATOM 2554 C GLU B 66 6.843 21.312 0.148 1.00 1.21 C ATOM 2555 O GLU B 66 6.884 21.353 -1.084 1.00 1.75 O ATOM 2556 CB GLU B 66 5.288 22.831 1.399 1.00 1.95 C ATOM 2557 CG GLU B 66 4.861 24.276 1.684 1.00 1.76 C ATOM 2558 CD GLU B 66 4.237 24.854 0.417 1.00 1.55 C ATOM 2559 OE1 GLU B 66 5.041 25.222 -0.476 1.00 2.32 O ATOM 2560 OE2 GLU B 66 2.983 24.818 0.354 1.00 2.48 O ATOM 0 H GLU B 66 6.809 24.272 -0.216 1.00 1.33 H new ATOM 0 HA GLU B 66 7.302 22.416 1.937 1.00 1.24 H new ATOM 0 HB2 GLU B 66 4.656 22.449 0.597 1.00 1.95 H new ATOM 0 HB3 GLU B 66 5.070 22.238 2.287 1.00 1.95 H new ATOM 0 HG2 GLU B 66 4.146 24.305 2.506 1.00 1.76 H new ATOM 0 HG3 GLU B 66 5.721 24.872 1.989 1.00 1.76 H new ATOM 2567 N ILE B 67 6.805 20.163 0.810 1.00 0.90 N ATOM 2568 CA ILE B 67 6.591 18.872 0.156 1.00 1.01 C ATOM 2569 C ILE B 67 5.234 18.286 0.522 1.00 0.97 C ATOM 2570 O ILE B 67 4.809 18.407 1.664 1.00 1.00 O ATOM 2571 CB ILE B 67 7.683 17.878 0.553 1.00 1.30 C ATOM 2572 CG1 ILE B 67 7.919 17.821 2.076 1.00 2.10 C ATOM 2573 CG2 ILE B 67 8.986 18.180 -0.194 1.00 2.11 C ATOM 2574 CD1 ILE B 67 8.478 16.482 2.526 1.00 2.77 C ATOM 0 H ILE B 67 6.922 20.097 1.821 1.00 0.90 H new ATOM 0 HA ILE B 67 6.626 19.045 -0.920 1.00 1.01 H new ATOM 0 HB ILE B 67 7.330 16.889 0.260 1.00 1.30 H new ATOM 0 HG12 ILE B 67 8.608 18.615 2.364 1.00 2.10 H new ATOM 0 HG13 ILE B 67 6.979 18.012 2.594 1.00 2.10 H new ATOM 0 HG21 ILE B 67 9.750 17.462 0.103 1.00 2.11 H new ATOM 0 HG22 ILE B 67 8.815 18.106 -1.268 1.00 2.11 H new ATOM 0 HG23 ILE B 67 9.321 19.188 0.051 1.00 2.11 H new ATOM 0 HD11 ILE B 67 8.626 16.494 3.606 1.00 2.77 H new ATOM 0 HD12 ILE B 67 7.778 15.689 2.264 1.00 2.77 H new ATOM 0 HD13 ILE B 67 9.432 16.301 2.031 1.00 2.77 H new ATOM 2586 N ASP B 68 4.604 17.565 -0.407 1.00 1.22 N ATOM 2587 CA ASP B 68 3.433 16.756 -0.075 1.00 1.19 C ATOM 2588 C ASP B 68 3.848 15.436 0.592 1.00 1.02 C ATOM 2589 O ASP B 68 5.038 15.130 0.734 1.00 1.13 O ATOM 2590 CB ASP B 68 2.493 16.607 -1.295 1.00 1.60 C ATOM 2591 CG ASP B 68 2.563 15.268 -2.038 1.00 1.53 C ATOM 2592 OD1 ASP B 68 3.429 15.077 -2.919 1.00 2.02 O ATOM 2593 OD2 ASP B 68 1.668 14.417 -1.821 1.00 2.39 O ATOM 0 H ASP B 68 4.883 17.525 -1.387 1.00 1.22 H new ATOM 0 HA ASP B 68 2.835 17.274 0.675 1.00 1.19 H new ATOM 0 HB2 ASP B 68 1.467 16.760 -0.959 1.00 1.60 H new ATOM 0 HB3 ASP B 68 2.719 17.405 -2.003 1.00 1.60 H new ATOM 2598 N PHE B 69 2.852 14.642 0.974 1.00 0.94 N ATOM 2599 CA PHE B 69 3.007 13.376 1.680 1.00 0.77 C ATOM 2600 C PHE B 69 4.048 12.414 1.062 1.00 0.63 C ATOM 2601 O PHE B 69 4.502 11.508 1.756 1.00 0.61 O ATOM 2602 CB PHE B 69 1.647 12.666 1.689 1.00 0.93 C ATOM 2603 CG PHE B 69 0.462 13.402 2.291 1.00 1.54 C ATOM 2604 CD1 PHE B 69 0.187 13.280 3.667 1.00 2.24 C ATOM 2605 CD2 PHE B 69 -0.427 14.112 1.461 1.00 3.37 C ATOM 2606 CE1 PHE B 69 -0.979 13.848 4.203 1.00 3.28 C ATOM 2607 CE2 PHE B 69 -1.600 14.674 2.001 1.00 4.54 C ATOM 2608 CZ PHE B 69 -1.874 14.540 3.372 1.00 4.18 C ATOM 0 H PHE B 69 1.875 14.873 0.792 1.00 0.94 H new ATOM 0 HA PHE B 69 3.370 13.622 2.678 1.00 0.77 H new ATOM 0 HB2 PHE B 69 1.395 12.414 0.659 1.00 0.93 H new ATOM 0 HB3 PHE B 69 1.765 11.726 2.228 1.00 0.93 H new ATOM 0 HD1 PHE B 69 0.874 12.749 4.310 1.00 2.24 H new ATOM 0 HD2 PHE B 69 -0.209 14.226 0.409 1.00 3.37 H new ATOM 0 HE1 PHE B 69 -1.188 13.752 5.258 1.00 3.28 H new ATOM 0 HE2 PHE B 69 -2.288 15.207 1.362 1.00 4.54 H new ATOM 0 HZ PHE B 69 -2.774 14.970 3.787 1.00 4.18 H new ATOM 2618 N LYS B 70 4.398 12.546 -0.224 1.00 0.64 N ATOM 2619 CA LYS B 70 5.175 11.561 -0.985 1.00 0.65 C ATOM 2620 C LYS B 70 6.651 11.586 -0.600 1.00 0.60 C ATOM 2621 O LYS B 70 7.202 10.549 -0.235 1.00 0.60 O ATOM 2622 CB LYS B 70 5.026 11.879 -2.473 1.00 0.76 C ATOM 2623 CG LYS B 70 3.622 11.689 -3.011 1.00 1.83 C ATOM 2624 CD LYS B 70 3.640 12.164 -4.468 1.00 2.21 C ATOM 2625 CE LYS B 70 2.199 12.296 -4.913 1.00 3.74 C ATOM 2626 NZ LYS B 70 1.588 13.554 -4.420 1.00 5.08 N ATOM 0 H LYS B 70 4.141 13.363 -0.778 1.00 0.64 H new ATOM 0 HA LYS B 70 4.796 10.564 -0.760 1.00 0.65 H new ATOM 0 HB2 LYS B 70 5.332 12.911 -2.645 1.00 0.76 H new ATOM 0 HB3 LYS B 70 5.709 11.245 -3.039 1.00 0.76 H new ATOM 0 HG2 LYS B 70 3.322 10.643 -2.949 1.00 1.83 H new ATOM 0 HG3 LYS B 70 2.903 12.262 -2.426 1.00 1.83 H new ATOM 0 HD2 LYS B 70 4.159 13.119 -4.555 1.00 2.21 H new ATOM 0 HD3 LYS B 70 4.174 11.453 -5.098 1.00 2.21 H new ATOM 0 HE2 LYS B 70 2.150 12.269 -6.002 1.00 3.74 H new ATOM 0 HE3 LYS B 70 1.625 11.444 -4.547 1.00 3.74 H new ATOM 0 HZ1 LYS B 70 0.581 13.393 -4.214 1.00 5.08 H new ATOM 0 HZ2 LYS B 70 2.075 13.860 -3.553 1.00 5.08 H new ATOM 0 HZ3 LYS B 70 1.679 14.292 -5.147 1.00 5.08 H new ATOM 2640 N GLU B 71 7.261 12.772 -0.647 1.00 0.58 N ATOM 2641 CA GLU B 71 8.628 12.990 -0.172 1.00 0.57 C ATOM 2642 C GLU B 71 8.720 12.609 1.304 1.00 0.57 C ATOM 2643 O GLU B 71 9.695 12.012 1.737 1.00 0.64 O ATOM 2644 CB GLU B 71 9.014 14.457 -0.320 1.00 0.67 C ATOM 2645 CG GLU B 71 9.338 14.880 -1.759 1.00 0.83 C ATOM 2646 CD GLU B 71 10.847 15.132 -1.962 1.00 1.45 C ATOM 2647 OE1 GLU B 71 11.408 15.960 -1.206 1.00 2.34 O ATOM 2648 OE2 GLU B 71 11.444 14.487 -2.850 1.00 2.45 O ATOM 0 H GLU B 71 6.818 13.613 -1.018 1.00 0.58 H new ATOM 0 HA GLU B 71 9.304 12.375 -0.766 1.00 0.57 H new ATOM 0 HB2 GLU B 71 8.198 15.075 0.053 1.00 0.67 H new ATOM 0 HB3 GLU B 71 9.880 14.658 0.310 1.00 0.67 H new ATOM 0 HG2 GLU B 71 9.004 14.105 -2.449 1.00 0.83 H new ATOM 0 HG3 GLU B 71 8.783 15.786 -2.004 1.00 0.83 H new ATOM 2655 N TYR B 72 7.673 12.902 2.076 1.00 0.56 N ATOM 2656 CA TYR B 72 7.613 12.533 3.492 1.00 0.57 C ATOM 2657 C TYR B 72 7.616 11.004 3.669 1.00 0.55 C ATOM 2658 O TYR B 72 8.450 10.473 4.403 1.00 0.56 O ATOM 2659 CB TYR B 72 6.387 13.217 4.116 1.00 0.58 C ATOM 2660 CG TYR B 72 5.851 12.594 5.392 1.00 0.64 C ATOM 2661 CD1 TYR B 72 6.633 12.553 6.559 1.00 1.74 C ATOM 2662 CD2 TYR B 72 4.537 12.080 5.414 1.00 2.41 C ATOM 2663 CE1 TYR B 72 6.107 12.004 7.746 1.00 1.68 C ATOM 2664 CE2 TYR B 72 3.992 11.566 6.604 1.00 2.56 C ATOM 2665 CZ TYR B 72 4.778 11.527 7.777 1.00 0.97 C ATOM 2666 OH TYR B 72 4.232 11.094 8.948 1.00 1.20 O ATOM 0 H TYR B 72 6.847 13.398 1.741 1.00 0.56 H new ATOM 0 HA TYR B 72 8.502 12.882 4.017 1.00 0.57 H new ATOM 0 HB2 TYR B 72 6.642 14.256 4.323 1.00 0.58 H new ATOM 0 HB3 TYR B 72 5.586 13.227 3.376 1.00 0.58 H new ATOM 0 HD1 TYR B 72 7.640 12.943 6.546 1.00 1.74 H new ATOM 0 HD2 TYR B 72 3.946 12.081 4.510 1.00 2.41 H new ATOM 0 HE1 TYR B 72 6.721 11.948 8.633 1.00 1.68 H new ATOM 0 HE2 TYR B 72 2.975 11.202 6.621 1.00 2.56 H new ATOM 0 HH TYR B 72 3.258 11.197 8.913 1.00 1.20 H new ATOM 2676 N SER B 73 6.750 10.274 2.967 1.00 0.56 N ATOM 2677 CA SER B 73 6.654 8.817 3.093 1.00 0.59 C ATOM 2678 C SER B 73 7.855 8.085 2.484 1.00 0.60 C ATOM 2679 O SER B 73 8.314 7.124 3.106 1.00 0.61 O ATOM 2680 CB SER B 73 5.315 8.311 2.530 1.00 0.69 C ATOM 2681 OG SER B 73 5.171 8.514 1.145 1.00 1.34 O ATOM 0 H SER B 73 6.095 10.674 2.295 1.00 0.56 H new ATOM 0 HA SER B 73 6.681 8.582 4.157 1.00 0.59 H new ATOM 0 HB2 SER B 73 5.220 7.246 2.744 1.00 0.69 H new ATOM 0 HB3 SER B 73 4.499 8.814 3.049 1.00 0.69 H new ATOM 0 HG SER B 73 4.263 8.267 0.871 1.00 1.34 H new ATOM 2687 N VAL B 74 8.450 8.550 1.371 1.00 0.61 N ATOM 2688 CA VAL B 74 9.717 7.982 0.873 1.00 0.64 C ATOM 2689 C VAL B 74 10.909 8.327 1.757 1.00 0.64 C ATOM 2690 O VAL B 74 11.780 7.480 1.879 1.00 0.66 O ATOM 2691 CB VAL B 74 10.102 8.330 -0.579 1.00 0.67 C ATOM 2692 CG1 VAL B 74 9.030 7.866 -1.558 1.00 0.71 C ATOM 2693 CG2 VAL B 74 10.476 9.792 -0.824 1.00 0.66 C ATOM 0 H VAL B 74 8.078 9.311 0.803 1.00 0.61 H new ATOM 0 HA VAL B 74 9.496 6.915 0.903 1.00 0.64 H new ATOM 0 HB VAL B 74 11.023 7.776 -0.760 1.00 0.67 H new ATOM 0 HG11 VAL B 74 9.328 8.125 -2.574 1.00 0.71 H new ATOM 0 HG12 VAL B 74 8.909 6.786 -1.480 1.00 0.71 H new ATOM 0 HG13 VAL B 74 8.085 8.355 -1.322 1.00 0.71 H new ATOM 0 HG21 VAL B 74 10.730 9.931 -1.875 1.00 0.66 H new ATOM 0 HG22 VAL B 74 9.632 10.432 -0.567 1.00 0.66 H new ATOM 0 HG23 VAL B 74 11.333 10.057 -0.205 1.00 0.66 H new ATOM 2703 N PHE B 75 10.962 9.502 2.402 1.00 0.63 N ATOM 2704 CA PHE B 75 12.046 9.843 3.328 1.00 0.62 C ATOM 2705 C PHE B 75 11.989 8.956 4.566 1.00 0.61 C ATOM 2706 O PHE B 75 13.010 8.391 4.946 1.00 0.64 O ATOM 2707 CB PHE B 75 11.960 11.320 3.729 1.00 0.61 C ATOM 2708 CG PHE B 75 13.172 11.845 4.474 1.00 0.57 C ATOM 2709 CD1 PHE B 75 13.397 11.550 5.836 1.00 1.79 C ATOM 2710 CD2 PHE B 75 14.081 12.659 3.780 1.00 1.61 C ATOM 2711 CE1 PHE B 75 14.518 12.093 6.497 1.00 1.84 C ATOM 2712 CE2 PHE B 75 15.203 13.183 4.434 1.00 1.58 C ATOM 2713 CZ PHE B 75 15.426 12.903 5.795 1.00 0.63 C ATOM 0 H PHE B 75 10.260 10.235 2.296 1.00 0.63 H new ATOM 0 HA PHE B 75 12.997 9.673 2.823 1.00 0.62 H new ATOM 0 HB2 PHE B 75 11.815 11.919 2.830 1.00 0.61 H new ATOM 0 HB3 PHE B 75 11.077 11.463 4.352 1.00 0.61 H new ATOM 0 HD1 PHE B 75 12.712 10.909 6.371 1.00 1.79 H new ATOM 0 HD2 PHE B 75 13.914 12.882 2.737 1.00 1.61 H new ATOM 0 HE1 PHE B 75 14.679 11.886 7.545 1.00 1.84 H new ATOM 0 HE2 PHE B 75 15.900 13.805 3.892 1.00 1.58 H new ATOM 0 HZ PHE B 75 16.291 13.309 6.298 1.00 0.63 H new ATOM 2723 N LEU B 76 10.799 8.769 5.154 1.00 0.59 N ATOM 2724 CA LEU B 76 10.597 7.829 6.257 1.00 0.58 C ATOM 2725 C LEU B 76 10.939 6.391 5.840 1.00 0.61 C ATOM 2726 O LEU B 76 11.669 5.723 6.569 1.00 0.63 O ATOM 2727 CB LEU B 76 9.152 7.956 6.783 1.00 0.59 C ATOM 2728 CG LEU B 76 8.961 8.911 7.977 1.00 0.62 C ATOM 2729 CD1 LEU B 76 9.710 8.409 9.218 1.00 2.63 C ATOM 2730 CD2 LEU B 76 9.384 10.356 7.694 1.00 1.92 C ATOM 0 H LEU B 76 9.953 9.266 4.876 1.00 0.59 H new ATOM 0 HA LEU B 76 11.280 8.080 7.069 1.00 0.58 H new ATOM 0 HB2 LEU B 76 8.515 8.293 5.965 1.00 0.59 H new ATOM 0 HB3 LEU B 76 8.801 6.966 7.073 1.00 0.59 H new ATOM 0 HG LEU B 76 7.886 8.916 8.159 1.00 0.62 H new ATOM 0 HD11 LEU B 76 9.555 9.105 10.043 1.00 2.63 H new ATOM 0 HD12 LEU B 76 9.333 7.425 9.497 1.00 2.63 H new ATOM 0 HD13 LEU B 76 10.775 8.340 8.997 1.00 2.63 H new ATOM 0 HD21 LEU B 76 9.218 10.964 8.583 1.00 1.92 H new ATOM 0 HD22 LEU B 76 10.441 10.380 7.429 1.00 1.92 H new ATOM 0 HD23 LEU B 76 8.794 10.753 6.868 1.00 1.92 H new ATOM 2742 N THR B 77 10.492 5.952 4.654 1.00 0.62 N ATOM 2743 CA THR B 77 10.818 4.631 4.078 1.00 0.67 C ATOM 2744 C THR B 77 12.323 4.462 3.892 1.00 0.71 C ATOM 2745 O THR B 77 12.894 3.465 4.321 1.00 0.75 O ATOM 2746 CB THR B 77 10.074 4.449 2.751 1.00 0.71 C ATOM 2747 OG1 THR B 77 8.705 4.414 3.045 1.00 0.69 O ATOM 2748 CG2 THR B 77 10.473 3.179 1.995 1.00 0.89 C ATOM 0 H THR B 77 9.884 6.511 4.056 1.00 0.62 H new ATOM 0 HA THR B 77 10.492 3.858 4.774 1.00 0.67 H new ATOM 0 HB THR B 77 10.335 5.279 2.094 1.00 0.71 H new ATOM 0 HG1 THR B 77 8.358 5.329 3.097 1.00 0.69 H new ATOM 0 HG21 THR B 77 9.907 3.116 1.066 1.00 0.89 H new ATOM 0 HG22 THR B 77 11.539 3.210 1.769 1.00 0.89 H new ATOM 0 HG23 THR B 77 10.258 2.306 2.611 1.00 0.89 H new ATOM 2756 N MET B 78 12.972 5.457 3.303 1.00 0.72 N ATOM 2757 CA MET B 78 14.409 5.503 3.027 1.00 0.78 C ATOM 2758 C MET B 78 15.240 5.533 4.308 1.00 0.84 C ATOM 2759 O MET B 78 16.273 4.876 4.361 1.00 0.97 O ATOM 2760 CB MET B 78 14.656 6.735 2.144 1.00 0.78 C ATOM 2761 CG MET B 78 16.116 6.968 1.769 1.00 1.00 C ATOM 2762 SD MET B 78 16.366 7.969 0.278 1.00 1.34 S ATOM 2763 CE MET B 78 15.174 9.309 0.541 1.00 1.31 C ATOM 0 H MET B 78 12.490 6.298 2.987 1.00 0.72 H new ATOM 0 HA MET B 78 14.726 4.598 2.509 1.00 0.78 H new ATOM 0 HB2 MET B 78 14.072 6.633 1.229 1.00 0.78 H new ATOM 0 HB3 MET B 78 14.283 7.618 2.663 1.00 0.78 H new ATOM 0 HG2 MET B 78 16.618 7.455 2.605 1.00 1.00 H new ATOM 0 HG3 MET B 78 16.599 6.001 1.626 1.00 1.00 H new ATOM 0 HE1 MET B 78 15.337 10.091 -0.200 1.00 1.31 H new ATOM 0 HE2 MET B 78 14.161 8.920 0.441 1.00 1.31 H new ATOM 0 HE3 MET B 78 15.307 9.723 1.541 1.00 1.31 H new ATOM 2773 N LEU B 79 14.782 6.235 5.346 1.00 0.77 N ATOM 2774 CA LEU B 79 15.418 6.297 6.664 1.00 0.84 C ATOM 2775 C LEU B 79 15.282 4.973 7.436 1.00 0.83 C ATOM 2776 O LEU B 79 16.234 4.534 8.067 1.00 0.93 O ATOM 2777 CB LEU B 79 14.820 7.510 7.409 1.00 0.91 C ATOM 2778 CG LEU B 79 15.378 7.784 8.813 1.00 1.02 C ATOM 2779 CD1 LEU B 79 16.912 7.846 8.824 1.00 1.31 C ATOM 2780 CD2 LEU B 79 14.802 9.102 9.354 1.00 2.07 C ATOM 0 H LEU B 79 13.931 6.794 5.291 1.00 0.77 H new ATOM 0 HA LEU B 79 16.495 6.436 6.564 1.00 0.84 H new ATOM 0 HB2 LEU B 79 14.977 8.399 6.798 1.00 0.91 H new ATOM 0 HB3 LEU B 79 13.743 7.365 7.490 1.00 0.91 H new ATOM 0 HG LEU B 79 15.077 6.954 9.453 1.00 1.02 H new ATOM 0 HD11 LEU B 79 17.261 8.042 9.838 1.00 1.31 H new ATOM 0 HD12 LEU B 79 17.317 6.895 8.478 1.00 1.31 H new ATOM 0 HD13 LEU B 79 17.249 8.645 8.164 1.00 1.31 H new ATOM 0 HD21 LEU B 79 15.201 9.292 10.350 1.00 2.07 H new ATOM 0 HD22 LEU B 79 15.080 9.920 8.690 1.00 2.07 H new ATOM 0 HD23 LEU B 79 13.716 9.030 9.406 1.00 2.07 H new ATOM 2792 N CYS B 80 14.126 4.309 7.329 1.00 0.77 N ATOM 2793 CA CYS B 80 13.874 2.973 7.879 1.00 0.80 C ATOM 2794 C CYS B 80 14.659 1.877 7.124 1.00 0.86 C ATOM 2795 O CYS B 80 15.075 0.882 7.704 1.00 0.90 O ATOM 2796 CB CYS B 80 12.351 2.752 7.832 1.00 0.81 C ATOM 2797 SG CYS B 80 11.834 1.507 9.046 1.00 1.06 S ATOM 0 H CYS B 80 13.317 4.697 6.844 1.00 0.77 H new ATOM 0 HA CYS B 80 14.230 2.906 8.907 1.00 0.80 H new ATOM 0 HB2 CYS B 80 11.838 3.693 8.030 1.00 0.81 H new ATOM 0 HB3 CYS B 80 12.057 2.433 6.832 1.00 0.81 H new ATOM 0 HG CYS B 80 10.668 1.037 8.716 1.00 1.06 H new ATOM 2803 N MET B 81 14.928 2.066 5.830 1.00 0.98 N ATOM 2804 CA MET B 81 15.836 1.197 5.064 1.00 1.11 C ATOM 2805 C MET B 81 17.311 1.496 5.385 1.00 1.15 C ATOM 2806 O MET B 81 18.095 0.568 5.562 1.00 1.24 O ATOM 2807 CB MET B 81 15.460 1.294 3.573 1.00 1.24 C ATOM 2808 CG MET B 81 15.721 -0.008 2.796 1.00 1.64 C ATOM 2809 SD MET B 81 17.442 -0.450 2.458 1.00 3.28 S ATOM 2810 CE MET B 81 17.979 1.090 1.691 1.00 3.80 C ATOM 0 H MET B 81 14.525 2.825 5.280 1.00 0.98 H new ATOM 0 HA MET B 81 15.716 0.154 5.358 1.00 1.11 H new ATOM 0 HB2 MET B 81 14.405 1.555 3.487 1.00 1.24 H new ATOM 0 HB3 MET B 81 16.027 2.103 3.114 1.00 1.24 H new ATOM 0 HG2 MET B 81 15.266 -0.828 3.352 1.00 1.64 H new ATOM 0 HG3 MET B 81 15.198 0.059 1.842 1.00 1.64 H new ATOM 0 HE1 MET B 81 18.858 0.902 1.074 1.00 3.80 H new ATOM 0 HE2 MET B 81 17.176 1.486 1.068 1.00 3.80 H new ATOM 0 HE3 MET B 81 18.228 1.815 2.466 1.00 3.80 H new ATOM 2820 N ALA B 82 17.669 2.775 5.560 1.00 1.25 N ATOM 2821 CA ALA B 82 18.981 3.217 6.036 1.00 1.36 C ATOM 2822 C ALA B 82 19.327 2.639 7.421 1.00 1.39 C ATOM 2823 O ALA B 82 20.477 2.274 7.652 1.00 1.25 O ATOM 2824 CB ALA B 82 19.043 4.750 6.019 1.00 1.42 C ATOM 0 H ALA B 82 17.034 3.550 5.368 1.00 1.25 H new ATOM 0 HA ALA B 82 19.741 2.829 5.358 1.00 1.36 H new ATOM 0 HB1 ALA B 82 20.020 5.079 6.373 1.00 1.42 H new ATOM 0 HB2 ALA B 82 18.886 5.109 5.002 1.00 1.42 H new ATOM 0 HB3 ALA B 82 18.267 5.153 6.670 1.00 1.42 H new ATOM 2830 N TYR B 83 18.328 2.463 8.295 1.00 1.73 N ATOM 2831 CA TYR B 83 18.439 1.589 9.459 1.00 1.69 C ATOM 2832 C TYR B 83 17.084 1.022 9.950 1.00 2.41 C ATOM 2833 O TYR B 83 16.270 1.728 10.542 1.00 3.97 O ATOM 2834 CB TYR B 83 19.219 2.289 10.589 1.00 1.52 C ATOM 2835 CG TYR B 83 18.426 3.281 11.422 1.00 1.86 C ATOM 2836 CD1 TYR B 83 18.065 4.538 10.906 1.00 3.16 C ATOM 2837 CD2 TYR B 83 17.949 2.882 12.688 1.00 2.27 C ATOM 2838 CE1 TYR B 83 17.207 5.381 11.638 1.00 3.37 C ATOM 2839 CE2 TYR B 83 17.138 3.738 13.448 1.00 2.73 C ATOM 2840 CZ TYR B 83 16.741 4.983 12.913 1.00 2.66 C ATOM 2841 OH TYR B 83 15.881 5.774 13.609 1.00 3.10 O ATOM 0 H TYR B 83 17.422 2.924 8.211 1.00 1.73 H new ATOM 0 HA TYR B 83 19.005 0.715 9.137 1.00 1.69 H new ATOM 0 HB2 TYR B 83 19.622 1.525 11.254 1.00 1.52 H new ATOM 0 HB3 TYR B 83 20.069 2.810 10.149 1.00 1.52 H new ATOM 0 HD1 TYR B 83 18.446 4.857 9.947 1.00 3.16 H new ATOM 0 HD2 TYR B 83 18.211 1.909 13.076 1.00 2.27 H new ATOM 0 HE1 TYR B 83 16.904 6.332 11.226 1.00 3.37 H new ATOM 0 HE2 TYR B 83 16.819 3.446 14.438 1.00 2.73 H new ATOM 0 HH TYR B 83 15.663 5.347 14.464 1.00 3.10 H new ATOM 2851 N ASN B 84 16.899 -0.294 9.802 1.00 1.66 N ATOM 2852 CA ASN B 84 15.983 -1.115 10.605 1.00 2.25 C ATOM 2853 C ASN B 84 16.196 -2.617 10.351 1.00 2.38 C ATOM 2854 O ASN B 84 16.682 -3.032 9.300 1.00 2.36 O ATOM 2855 CB ASN B 84 14.488 -0.744 10.457 1.00 2.68 C ATOM 2856 CG ASN B 84 13.768 -0.812 11.802 1.00 3.46 C ATOM 2857 OD1 ASN B 84 14.056 -1.666 12.635 1.00 3.95 O ATOM 2858 ND2 ASN B 84 12.839 0.083 12.063 1.00 4.17 N ATOM 0 H ASN B 84 17.399 -0.836 9.097 1.00 1.66 H new ATOM 0 HA ASN B 84 16.244 -0.887 11.638 1.00 2.25 H new ATOM 0 HB2 ASN B 84 14.399 0.261 10.044 1.00 2.68 H new ATOM 0 HB3 ASN B 84 14.010 -1.423 9.751 1.00 2.68 H new ATOM 0 HD21 ASN B 84 12.355 0.069 12.961 1.00 4.17 H new ATOM 0 HD22 ASN B 84 12.603 0.791 11.368 1.00 4.17 H new ATOM 2865 N ASP B 85 15.844 -3.432 11.346 1.00 3.25 N ATOM 2866 CA ASP B 85 15.959 -4.892 11.315 1.00 3.63 C ATOM 2867 C ASP B 85 14.743 -5.563 10.662 1.00 3.67 C ATOM 2868 O ASP B 85 14.904 -6.535 9.933 1.00 3.66 O ATOM 2869 CB ASP B 85 16.116 -5.367 12.763 1.00 5.15 C ATOM 2870 CG ASP B 85 16.142 -6.891 12.872 1.00 5.79 C ATOM 2871 OD1 ASP B 85 17.212 -7.470 12.575 1.00 5.75 O ATOM 2872 OD2 ASP B 85 15.087 -7.439 13.259 1.00 7.12 O ATOM 0 H ASP B 85 15.459 -3.084 12.224 1.00 3.25 H new ATOM 0 HA ASP B 85 16.820 -5.172 10.709 1.00 3.63 H new ATOM 0 HB2 ASP B 85 17.037 -4.959 13.179 1.00 5.15 H new ATOM 0 HB3 ASP B 85 15.294 -4.976 13.363 1.00 5.15 H new