USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 1198 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 44 ASN : amide:sc= -0.426 K(o=-0.064,f=-7.3!) USER MOD Set 1.2: B 52 LYS NZ :NH3+ -118:sc= 0.362 (180deg=0) USER MOD Set 2.1: B 43 MET CE :methyl 146:sc= -0.246 (180deg=-1.32) USER MOD Set 2.2: B 63 MET CE :methyl -133:sc= -0.156 (180deg=-0.513) USER MOD Set 3.1: A 43 MET CE :methyl 144:sc= -0.22 (180deg=-1.28) USER MOD Set 3.2: A 63 MET CE :methyl -131:sc= -0.191 (180deg=-0.54) USER MOD Set 4.1: A 44 ASN : amide:sc= -0.479 K(o=-0.16,f=-7.2!) USER MOD Set 4.2: A 52 LYS NZ :NH3+ -117:sc= 0.321 (180deg=0) USER MOD Set 5.1: A 13 CYS SG : rot 80:sc= -6.49! USER MOD Set 5.2: B 13 CYS SG : rot 41:sc= -6.51! USER MOD Single : A 8 THR OG1 : rot -103:sc= 1.22 USER MOD Single : A 10 THR OG1 : rot 170:sc= -0.157 USER MOD Single : A 16 SER OG : rot 87:sc= 1.88 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.686 F(o=-2.4!,f=-0.69) USER MOD Single : A 23 LYS NZ :NH3+ -157:sc= 1.28 (180deg=1.12) USER MOD Single : A 24 TYR OH : rot 165:sc= 0 USER MOD Single : A 33 THR OG1 : rot 32:sc= 0.437 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -162:sc= 0.958 (180deg=0.716) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -73:sc= -0.797! USER MOD Single : A 51 THR OG1 : rot 151:sc= 0.267 USER MOD Single : A 64 MET CE :methyl -155:sc= -3.78! (180deg=-5.16!) USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.19) USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00685) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0581 X(o=-0.058,f=0.072) USER MOD Single : A 78 SER OG : rot -65:sc= 0.8 USER MOD Single : A 82 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.2!) USER MOD Single : A 89 MET CE :methyl -176:sc= -0.777 (180deg=-0.928) USER MOD Single : A 91 CYS SG : rot -35:sc= -0.927 USER MOD Single : A 92 HIS :FLIP no HE2:sc= -0.958 F(o=-2.1,f=-0.96) USER MOD Single : A 94 SER OG : rot 81:sc= 1.26 USER MOD Single : B 8 THR OG1 : rot -90:sc= 1.28 USER MOD Single : B 10 THR OG1 : rot 170:sc= -0.139 USER MOD Single : B 16 SER OG : rot 54:sc= 1.86 USER MOD Single : B 22 GLN :FLIP amide:sc= -0.696 F(o=-2.4!,f=-0.7) USER MOD Single : B 23 LYS NZ :NH3+ -157:sc= 1.27 (180deg=1.14) USER MOD Single : B 24 TYR OH : rot 165:sc= 0 USER MOD Single : B 33 THR OG1 : rot 28:sc= 0.436 USER MOD Single : B 35 SER OG : rot 180:sc=-0.000649 USER MOD Single : B 36 LYS NZ :NH3+ -163:sc= 1 (180deg=0.739) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 45 THR OG1 : rot -89:sc= -0.747! USER MOD Single : B 51 THR OG1 : rot 139:sc= 0.287 USER MOD Single : B 64 MET CE :methyl -155:sc= -3.89! (180deg=-5.17!) USER MOD Single : B 65 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.16) USER MOD Single : B 66 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00331) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc=-0.00305 K(o=-0.003,f=-0.69) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 74 GLN : amide:sc= -0.0535 X(o=-0.054,f=0.073) USER MOD Single : B 78 SER OG : rot -62:sc= 0.815 USER MOD Single : B 82 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.3!) USER MOD Single : B 89 MET CE :methyl -176:sc= -0.709 (180deg=-0.908) USER MOD Single : B 91 CYS SG : rot -36:sc= -0.896 USER MOD Single : B 92 HIS :FLIP no HE2:sc= -1.03 F(o=-2.2,f=-1) USER MOD Single : B 94 SER OG : rot 85:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 93 N PRO A 7 -6.227 8.887 11.175 1.00 0.69 N ATOM 94 CA PRO A 7 -6.021 7.861 10.158 1.00 0.54 C ATOM 95 C PRO A 7 -6.621 6.532 10.581 1.00 0.44 C ATOM 96 O PRO A 7 -6.582 6.166 11.758 1.00 0.56 O ATOM 97 CB PRO A 7 -4.501 7.753 10.106 1.00 0.61 C ATOM 98 CG PRO A 7 -4.109 7.980 11.514 1.00 0.75 C ATOM 99 CD PRO A 7 -5.010 9.087 11.992 1.00 0.82 C ATOM 0 HA PRO A 7 -6.488 8.107 9.204 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -4.177 6.776 9.748 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -4.065 8.497 9.440 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -4.240 7.078 12.111 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -3.059 8.263 11.591 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -5.220 9.007 13.059 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -4.568 10.070 11.827 1.00 0.82 H new ATOM 107 N THR A 8 -7.191 5.819 9.638 1.00 0.34 N ATOM 108 CA THR A 8 -7.691 4.497 9.921 1.00 0.27 C ATOM 109 C THR A 8 -6.631 3.463 9.588 1.00 0.28 C ATOM 110 O THR A 8 -5.484 3.821 9.323 1.00 0.35 O ATOM 111 CB THR A 8 -8.956 4.200 9.121 1.00 0.28 C ATOM 112 OG1 THR A 8 -8.612 4.027 7.743 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.955 5.331 9.271 1.00 0.32 C ATOM 0 H THR A 8 -7.319 6.130 8.675 1.00 0.34 H new ATOM 0 HA THR A 8 -7.935 4.450 10.982 1.00 0.27 H new ATOM 0 HB THR A 8 -9.414 3.286 9.500 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.851 4.835 7.242 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.851 5.103 8.694 1.00 0.32 H new ATOM 0 HG22 THR A 8 -10.219 5.446 10.322 1.00 0.32 H new ATOM 0 HG23 THR A 8 -9.513 6.258 8.904 1.00 0.32 H new ATOM 121 N GLU A 9 -7.019 2.200 9.570 1.00 0.28 N ATOM 122 CA GLU A 9 -6.092 1.103 9.328 1.00 0.33 C ATOM 123 C GLU A 9 -5.353 1.262 7.988 1.00 0.36 C ATOM 124 O GLU A 9 -4.185 0.895 7.867 1.00 0.52 O ATOM 125 CB GLU A 9 -6.862 -0.214 9.384 1.00 0.40 C ATOM 126 CG GLU A 9 -5.994 -1.449 9.276 1.00 0.56 C ATOM 127 CD GLU A 9 -6.671 -2.675 9.851 1.00 1.73 C ATOM 128 OE1 GLU A 9 -7.832 -2.953 9.482 1.00 2.47 O ATOM 129 OE2 GLU A 9 -6.047 -3.363 10.687 1.00 2.48 O ATOM 0 H GLU A 9 -7.983 1.904 9.722 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.326 1.110 10.103 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -7.418 -0.256 10.320 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.595 -0.228 8.577 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -5.749 -1.629 8.229 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -5.053 -1.277 9.799 1.00 0.56 H new ATOM 136 N THR A 10 -6.013 1.855 7.005 1.00 0.26 N ATOM 137 CA THR A 10 -5.401 2.051 5.697 1.00 0.27 C ATOM 138 C THR A 10 -4.557 3.312 5.683 1.00 0.27 C ATOM 139 O THR A 10 -3.449 3.311 5.159 1.00 0.31 O ATOM 140 CB THR A 10 -6.446 2.077 4.554 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.968 2.843 3.444 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.773 2.634 5.038 1.00 0.25 C ATOM 0 H THR A 10 -6.967 2.208 7.086 1.00 0.26 H new ATOM 0 HA THR A 10 -4.753 1.193 5.516 1.00 0.27 H new ATOM 0 HB THR A 10 -6.602 1.049 4.228 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.565 2.716 2.677 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.487 2.640 4.214 1.00 0.25 H new ATOM 0 HG22 THR A 10 -8.156 2.011 5.846 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.630 3.652 5.402 1.00 0.25 H new ATOM 150 N GLU A 11 -5.050 4.372 6.298 1.00 0.25 N ATOM 151 CA GLU A 11 -4.293 5.610 6.363 1.00 0.27 C ATOM 152 C GLU A 11 -3.005 5.431 7.152 1.00 0.30 C ATOM 153 O GLU A 11 -1.948 5.913 6.756 1.00 0.32 O ATOM 154 CB GLU A 11 -5.133 6.699 6.967 1.00 0.29 C ATOM 155 CG GLU A 11 -6.126 7.251 5.984 1.00 0.41 C ATOM 156 CD GLU A 11 -5.510 8.275 5.054 1.00 1.11 C ATOM 157 OE1 GLU A 11 -5.329 9.435 5.474 1.00 1.85 O ATOM 158 OE2 GLU A 11 -5.187 7.924 3.906 1.00 1.71 O ATOM 0 H GLU A 11 -5.961 4.402 6.755 1.00 0.25 H new ATOM 0 HA GLU A 11 -4.022 5.894 5.346 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.662 6.309 7.837 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.487 7.503 7.320 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.543 6.434 5.395 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -6.954 7.708 6.526 1.00 0.41 H new ATOM 165 N ARG A 12 -3.101 4.714 8.263 1.00 0.35 N ATOM 166 CA ARG A 12 -1.936 4.428 9.093 1.00 0.42 C ATOM 167 C ARG A 12 -0.966 3.539 8.326 1.00 0.43 C ATOM 168 O ARG A 12 0.247 3.690 8.435 1.00 0.47 O ATOM 169 CB ARG A 12 -2.361 3.777 10.420 1.00 0.48 C ATOM 170 CG ARG A 12 -3.072 2.441 10.267 1.00 0.49 C ATOM 171 CD ARG A 12 -2.108 1.267 10.284 1.00 0.56 C ATOM 172 NE ARG A 12 -1.672 0.966 11.645 1.00 1.08 N ATOM 173 CZ ARG A 12 -1.821 -0.220 12.236 1.00 1.35 C ATOM 174 NH1 ARG A 12 -2.266 -1.268 11.550 1.00 1.86 N ATOM 175 NH2 ARG A 12 -1.502 -0.362 13.515 1.00 1.95 N ATOM 0 H ARG A 12 -3.974 4.319 8.612 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.431 5.363 9.335 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.476 3.635 11.040 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -3.017 4.465 10.954 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.797 2.324 11.072 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.631 2.435 9.331 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -2.590 0.390 9.851 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -1.242 1.495 9.663 1.00 0.56 H new ATOM 0 HE ARG A 12 -1.224 1.712 12.178 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -2.497 -1.170 10.561 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -2.376 -2.171 12.012 1.00 1.86 H new ATOM 0 HH21 ARG A 12 -1.144 0.434 14.043 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -1.614 -1.267 13.971 1.00 1.95 H new ATOM 189 N CYS A 13 -1.523 2.621 7.538 1.00 0.42 N ATOM 190 CA CYS A 13 -0.738 1.779 6.647 1.00 0.44 C ATOM 191 C CYS A 13 0.053 2.655 5.700 1.00 0.30 C ATOM 192 O CYS A 13 1.239 2.439 5.454 1.00 0.29 O ATOM 193 CB CYS A 13 -1.678 0.868 5.847 1.00 0.57 C ATOM 194 SG CYS A 13 -1.605 1.118 4.059 1.00 2.16 S ATOM 0 H CYS A 13 -2.527 2.443 7.501 1.00 0.42 H new ATOM 0 HA CYS A 13 -0.052 1.165 7.230 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -1.434 -0.171 6.068 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -2.701 1.034 6.185 1.00 0.57 H new ATOM 0 HG CYS A 13 -0.563 0.508 3.578 1.00 2.16 H new ATOM 200 N ILE A 14 -0.621 3.668 5.207 1.00 0.26 N ATOM 201 CA ILE A 14 -0.064 4.554 4.226 1.00 0.24 C ATOM 202 C ILE A 14 1.050 5.402 4.813 1.00 0.21 C ATOM 203 O ILE A 14 2.097 5.578 4.192 1.00 0.23 O ATOM 204 CB ILE A 14 -1.171 5.444 3.646 1.00 0.24 C ATOM 205 CG1 ILE A 14 -2.119 4.602 2.798 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.585 6.582 2.836 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.371 5.339 2.412 1.00 0.27 C ATOM 0 H ILE A 14 -1.577 3.897 5.481 1.00 0.26 H new ATOM 0 HA ILE A 14 0.370 3.953 3.427 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.734 5.884 4.469 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.601 4.279 1.895 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.389 3.702 3.350 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.391 7.197 2.436 1.00 0.27 H new ATOM 0 HG22 ILE A 14 0.054 7.192 3.475 1.00 0.27 H new ATOM 0 HG23 ILE A 14 0.004 6.177 2.013 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -4.005 4.688 1.810 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -3.909 5.639 3.312 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -3.108 6.225 1.834 1.00 0.27 H new ATOM 219 N GLU A 15 0.849 5.884 6.027 1.00 0.24 N ATOM 220 CA GLU A 15 1.837 6.721 6.667 1.00 0.28 C ATOM 221 C GLU A 15 2.992 5.856 7.114 1.00 0.30 C ATOM 222 O GLU A 15 4.102 6.336 7.310 1.00 0.34 O ATOM 223 CB GLU A 15 1.242 7.463 7.852 1.00 0.32 C ATOM 224 CG GLU A 15 0.016 8.287 7.502 1.00 0.33 C ATOM 225 CD GLU A 15 -0.497 9.078 8.686 1.00 0.38 C ATOM 226 OE1 GLU A 15 -0.876 8.463 9.701 1.00 1.26 O ATOM 227 OE2 GLU A 15 -0.517 10.328 8.609 1.00 1.06 O ATOM 0 H GLU A 15 0.013 5.709 6.584 1.00 0.24 H new ATOM 0 HA GLU A 15 2.187 7.468 5.955 1.00 0.28 H new ATOM 0 HB2 GLU A 15 0.976 6.742 8.625 1.00 0.32 H new ATOM 0 HB3 GLU A 15 2.001 8.120 8.277 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.260 8.970 6.688 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.772 7.627 7.139 1.00 0.33 H new ATOM 234 N SER A 16 2.713 4.568 7.265 1.00 0.31 N ATOM 235 CA SER A 16 3.753 3.598 7.511 1.00 0.38 C ATOM 236 C SER A 16 4.674 3.530 6.304 1.00 0.29 C ATOM 237 O SER A 16 5.891 3.483 6.438 1.00 0.28 O ATOM 238 CB SER A 16 3.151 2.218 7.803 1.00 0.54 C ATOM 239 OG SER A 16 2.381 2.227 8.995 1.00 0.97 O ATOM 0 H SER A 16 1.772 4.178 7.220 1.00 0.31 H new ATOM 0 HA SER A 16 4.326 3.906 8.386 1.00 0.38 H new ATOM 0 HB2 SER A 16 2.524 1.909 6.966 1.00 0.54 H new ATOM 0 HB3 SER A 16 3.951 1.482 7.891 1.00 0.54 H new ATOM 0 HG SER A 16 1.462 2.498 8.789 1.00 0.97 H new ATOM 245 N LEU A 17 4.079 3.563 5.123 1.00 0.27 N ATOM 246 CA LEU A 17 4.838 3.553 3.885 1.00 0.28 C ATOM 247 C LEU A 17 5.595 4.853 3.720 1.00 0.27 C ATOM 248 O LEU A 17 6.718 4.856 3.240 1.00 0.32 O ATOM 249 CB LEU A 17 3.908 3.337 2.707 1.00 0.29 C ATOM 250 CG LEU A 17 3.027 2.104 2.851 1.00 0.33 C ATOM 251 CD1 LEU A 17 1.992 2.026 1.742 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.898 0.859 2.874 1.00 0.46 C ATOM 0 H LEU A 17 3.067 3.597 4.996 1.00 0.27 H new ATOM 0 HA LEU A 17 5.557 2.735 3.923 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.274 4.216 2.588 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.501 3.246 1.797 1.00 0.29 H new ATOM 0 HG LEU A 17 2.480 2.174 3.791 1.00 0.33 H new ATOM 0 HD11 LEU A 17 1.381 1.133 1.877 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.355 2.910 1.776 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.496 1.978 0.777 1.00 0.33 H new ATOM 0 HD21 LEU A 17 3.268 -0.024 2.977 1.00 0.46 H new ATOM 0 HD22 LEU A 17 4.464 0.794 1.945 1.00 0.46 H new ATOM 0 HD23 LEU A 17 4.588 0.913 3.716 1.00 0.46 H new ATOM 264 N ILE A 18 4.971 5.961 4.105 1.00 0.27 N ATOM 265 CA ILE A 18 5.673 7.236 4.137 1.00 0.30 C ATOM 266 C ILE A 18 6.868 7.124 5.070 1.00 0.28 C ATOM 267 O ILE A 18 7.976 7.510 4.715 1.00 0.30 O ATOM 268 CB ILE A 18 4.769 8.423 4.576 1.00 0.36 C ATOM 269 CG1 ILE A 18 3.990 8.990 3.385 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.602 9.527 5.221 1.00 0.47 C ATOM 271 CD1 ILE A 18 2.999 8.029 2.767 1.00 1.37 C ATOM 0 H ILE A 18 3.994 6.002 4.395 1.00 0.27 H new ATOM 0 HA ILE A 18 5.996 7.453 3.119 1.00 0.30 H new ATOM 0 HB ILE A 18 4.057 8.043 5.309 1.00 0.36 H new ATOM 0 HG12 ILE A 18 3.456 9.884 3.709 1.00 0.63 H new ATOM 0 HG13 ILE A 18 4.700 9.302 2.619 1.00 0.63 H new ATOM 0 HG21 ILE A 18 4.950 10.347 5.520 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.114 9.131 6.098 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.339 9.892 4.505 1.00 0.47 H new ATOM 0 HD11 ILE A 18 2.494 8.514 1.932 1.00 1.37 H new ATOM 0 HD12 ILE A 18 3.525 7.144 2.408 1.00 1.37 H new ATOM 0 HD13 ILE A 18 2.263 7.735 3.515 1.00 1.37 H new ATOM 283 N ALA A 19 6.632 6.554 6.242 1.00 0.25 N ATOM 284 CA ALA A 19 7.663 6.402 7.249 1.00 0.25 C ATOM 285 C ALA A 19 8.823 5.553 6.741 1.00 0.23 C ATOM 286 O ALA A 19 9.949 6.042 6.660 1.00 0.28 O ATOM 287 CB ALA A 19 7.073 5.804 8.514 1.00 0.28 C ATOM 0 H ALA A 19 5.722 6.186 6.518 1.00 0.25 H new ATOM 0 HA ALA A 19 8.060 7.391 7.477 1.00 0.25 H new ATOM 0 HB1 ALA A 19 7.856 5.694 9.264 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.293 6.461 8.898 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.646 4.827 8.290 1.00 0.28 H new ATOM 293 N VAL A 20 8.551 4.297 6.374 1.00 0.20 N ATOM 294 CA VAL A 20 9.610 3.390 5.943 1.00 0.22 C ATOM 295 C VAL A 20 10.288 3.923 4.701 1.00 0.23 C ATOM 296 O VAL A 20 11.511 3.891 4.594 1.00 0.27 O ATOM 297 CB VAL A 20 9.116 1.942 5.689 1.00 0.27 C ATOM 298 CG1 VAL A 20 8.131 1.547 6.745 1.00 0.87 C ATOM 299 CG2 VAL A 20 8.500 1.762 4.310 1.00 0.87 C ATOM 0 H VAL A 20 7.615 3.892 6.368 1.00 0.20 H new ATOM 0 HA VAL A 20 10.322 3.342 6.767 1.00 0.22 H new ATOM 0 HB VAL A 20 9.991 1.294 5.733 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.788 0.529 6.560 1.00 0.87 H new ATOM 0 HG12 VAL A 20 8.607 1.598 7.724 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.279 2.227 6.721 1.00 0.87 H new ATOM 0 HG21 VAL A 20 8.173 0.729 4.190 1.00 0.87 H new ATOM 0 HG22 VAL A 20 7.644 2.429 4.204 1.00 0.87 H new ATOM 0 HG23 VAL A 20 9.241 1.999 3.547 1.00 0.87 H new ATOM 309 N PHE A 21 9.499 4.444 3.776 1.00 0.23 N ATOM 310 CA PHE A 21 10.071 4.986 2.554 1.00 0.25 C ATOM 311 C PHE A 21 11.012 6.136 2.880 1.00 0.29 C ATOM 312 O PHE A 21 12.134 6.182 2.403 1.00 0.35 O ATOM 313 CB PHE A 21 8.987 5.461 1.595 1.00 0.26 C ATOM 314 CG PHE A 21 9.534 6.047 0.328 1.00 0.91 C ATOM 315 CD1 PHE A 21 10.080 5.229 -0.645 1.00 1.85 C ATOM 316 CD2 PHE A 21 9.518 7.416 0.121 1.00 1.59 C ATOM 317 CE1 PHE A 21 10.597 5.766 -1.805 1.00 2.48 C ATOM 318 CE2 PHE A 21 10.036 7.958 -1.035 1.00 2.17 C ATOM 319 CZ PHE A 21 10.576 7.132 -1.999 1.00 2.40 C ATOM 0 H PHE A 21 8.483 4.503 3.843 1.00 0.23 H new ATOM 0 HA PHE A 21 10.630 4.188 2.066 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.336 4.622 1.348 1.00 0.26 H new ATOM 0 HB3 PHE A 21 8.370 6.207 2.096 1.00 0.26 H new ATOM 0 HD1 PHE A 21 10.101 4.160 -0.495 1.00 1.85 H new ATOM 0 HD2 PHE A 21 9.095 8.065 0.873 1.00 1.59 H new ATOM 0 HE1 PHE A 21 11.018 5.119 -2.560 1.00 2.48 H new ATOM 0 HE2 PHE A 21 10.019 9.027 -1.186 1.00 2.17 H new ATOM 0 HZ PHE A 21 10.982 7.555 -2.906 1.00 2.40 H new ATOM 329 N GLN A 22 10.557 7.034 3.734 1.00 0.30 N ATOM 330 CA GLN A 22 11.310 8.229 4.067 1.00 0.37 C ATOM 331 C GLN A 22 12.558 7.892 4.877 1.00 0.36 C ATOM 332 O GLN A 22 13.581 8.561 4.756 1.00 0.44 O ATOM 333 CB GLN A 22 10.391 9.202 4.821 1.00 0.47 C ATOM 334 CG GLN A 22 11.055 10.480 5.308 1.00 1.12 C ATOM 335 CD GLN A 22 11.712 10.340 6.676 1.00 1.98 C ATOM 336 OE1 GLN A 22 11.152 9.492 7.528 1.00 2.68 O flip ATOM 337 NE2 GLN A 22 12.708 10.999 6.968 1.00 2.66 N flip ATOM 0 H GLN A 22 9.660 6.957 4.214 1.00 0.30 H new ATOM 0 HA GLN A 22 11.656 8.705 3.150 1.00 0.37 H new ATOM 0 HB2 GLN A 22 9.560 9.470 4.168 1.00 0.47 H new ATOM 0 HB3 GLN A 22 9.967 8.683 5.680 1.00 0.47 H new ATOM 0 HG2 GLN A 22 11.807 10.789 4.582 1.00 1.12 H new ATOM 0 HG3 GLN A 22 10.309 11.274 5.351 1.00 1.12 H new ATOM 0 HE21 GLN A 22 13.112 11.642 6.287 1.00 2.66 H new ATOM 0 HE22 GLN A 22 13.130 10.903 7.891 1.00 2.66 H new ATOM 346 N LYS A 23 12.484 6.849 5.688 1.00 0.35 N ATOM 347 CA LYS A 23 13.609 6.496 6.538 1.00 0.39 C ATOM 348 C LYS A 23 14.628 5.638 5.787 1.00 0.40 C ATOM 349 O LYS A 23 15.827 5.736 6.040 1.00 0.49 O ATOM 350 CB LYS A 23 13.131 5.802 7.826 1.00 0.41 C ATOM 351 CG LYS A 23 12.442 4.475 7.618 1.00 0.42 C ATOM 352 CD LYS A 23 11.461 4.202 8.744 1.00 0.63 C ATOM 353 CE LYS A 23 11.409 2.732 9.082 1.00 0.63 C ATOM 354 NZ LYS A 23 10.400 2.424 10.132 1.00 0.91 N ATOM 0 H LYS A 23 11.670 6.240 5.776 1.00 0.35 H new ATOM 0 HA LYS A 23 14.111 7.420 6.825 1.00 0.39 H new ATOM 0 HB2 LYS A 23 13.990 5.650 8.479 1.00 0.41 H new ATOM 0 HB3 LYS A 23 12.448 6.471 8.349 1.00 0.41 H new ATOM 0 HG2 LYS A 23 11.917 4.477 6.663 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.183 3.677 7.572 1.00 0.42 H new ATOM 0 HD2 LYS A 23 11.751 4.770 9.628 1.00 0.63 H new ATOM 0 HD3 LYS A 23 10.468 4.546 8.455 1.00 0.63 H new ATOM 0 HE2 LYS A 23 11.177 2.163 8.182 1.00 0.63 H new ATOM 0 HE3 LYS A 23 12.392 2.405 9.420 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 10.650 1.531 10.603 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 10.383 3.192 10.833 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 9.461 2.333 9.695 1.00 0.91 H new ATOM 368 N TYR A 24 14.166 4.807 4.856 1.00 0.36 N ATOM 369 CA TYR A 24 15.077 3.955 4.101 1.00 0.39 C ATOM 370 C TYR A 24 15.623 4.683 2.873 1.00 0.34 C ATOM 371 O TYR A 24 16.834 4.786 2.688 1.00 0.40 O ATOM 372 CB TYR A 24 14.404 2.628 3.719 1.00 0.46 C ATOM 373 CG TYR A 24 13.883 1.862 4.919 1.00 0.86 C ATOM 374 CD1 TYR A 24 14.583 1.857 6.121 1.00 1.52 C ATOM 375 CD2 TYR A 24 12.695 1.150 4.856 1.00 1.67 C ATOM 376 CE1 TYR A 24 14.118 1.162 7.216 1.00 1.83 C ATOM 377 CE2 TYR A 24 12.222 0.456 5.952 1.00 1.99 C ATOM 378 CZ TYR A 24 12.938 0.465 7.127 1.00 1.72 C ATOM 379 OH TYR A 24 12.472 -0.233 8.219 1.00 2.15 O ATOM 0 H TYR A 24 13.181 4.707 4.610 1.00 0.36 H new ATOM 0 HA TYR A 24 15.925 3.718 4.743 1.00 0.39 H new ATOM 0 HB2 TYR A 24 13.578 2.829 3.036 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.119 2.006 3.180 1.00 0.46 H new ATOM 0 HD1 TYR A 24 15.509 2.408 6.197 1.00 1.52 H new ATOM 0 HD2 TYR A 24 12.131 1.138 3.935 1.00 1.67 H new ATOM 0 HE1 TYR A 24 14.678 1.165 8.139 1.00 1.83 H new ATOM 0 HE2 TYR A 24 11.294 -0.092 5.887 1.00 1.99 H new ATOM 0 HH TYR A 24 11.532 -0.471 8.078 1.00 2.15 H new ATOM 389 N ALA A 25 14.721 5.205 2.055 1.00 0.29 N ATOM 390 CA ALA A 25 15.083 5.980 0.874 1.00 0.34 C ATOM 391 C ALA A 25 15.733 7.308 1.258 1.00 0.47 C ATOM 392 O ALA A 25 16.338 7.987 0.424 1.00 0.58 O ATOM 393 CB ALA A 25 13.844 6.230 0.032 1.00 0.37 C ATOM 0 H ALA A 25 13.715 5.104 2.190 1.00 0.29 H new ATOM 0 HA ALA A 25 15.810 5.408 0.297 1.00 0.34 H new ATOM 0 HB1 ALA A 25 14.115 6.809 -0.851 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.416 5.277 -0.277 1.00 0.37 H new ATOM 0 HB3 ALA A 25 13.111 6.784 0.619 1.00 0.37 H new ATOM 399 N GLY A 26 15.582 7.675 2.526 1.00 0.49 N ATOM 400 CA GLY A 26 16.113 8.928 3.028 1.00 0.64 C ATOM 401 C GLY A 26 17.620 9.041 2.898 1.00 0.75 C ATOM 402 O GLY A 26 18.166 10.139 3.001 1.00 0.96 O ATOM 0 H GLY A 26 15.093 7.116 3.225 1.00 0.49 H new ATOM 0 HA2 GLY A 26 15.647 9.753 2.489 1.00 0.64 H new ATOM 0 HA3 GLY A 26 15.837 9.036 4.077 1.00 0.64 H new ATOM 503 N THR A 33 14.787 8.544 -2.637 1.00 0.67 N ATOM 504 CA THR A 33 14.478 7.411 -3.489 1.00 0.46 C ATOM 505 C THR A 33 15.329 6.232 -3.041 1.00 0.38 C ATOM 506 O THR A 33 16.518 6.388 -2.770 1.00 0.44 O ATOM 507 CB THR A 33 14.768 7.774 -4.964 1.00 0.45 C ATOM 508 OG1 THR A 33 14.327 9.112 -5.219 1.00 0.66 O ATOM 509 CG2 THR A 33 14.060 6.839 -5.925 1.00 0.43 C ATOM 0 HA THR A 33 13.424 7.147 -3.410 1.00 0.46 H new ATOM 0 HB THR A 33 15.842 7.681 -5.122 1.00 0.45 H new ATOM 0 HG1 THR A 33 14.419 9.648 -4.404 1.00 0.66 H new ATOM 0 HG21 THR A 33 14.290 7.129 -6.950 1.00 0.43 H new ATOM 0 HG22 THR A 33 14.397 5.817 -5.752 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.984 6.899 -5.764 1.00 0.43 H new ATOM 517 N LEU A 34 14.719 5.063 -2.968 1.00 0.32 N ATOM 518 CA LEU A 34 15.353 3.899 -2.366 1.00 0.30 C ATOM 519 C LEU A 34 16.232 3.214 -3.382 1.00 0.31 C ATOM 520 O LEU A 34 15.761 2.489 -4.251 1.00 0.34 O ATOM 521 CB LEU A 34 14.258 2.954 -1.870 1.00 0.30 C ATOM 522 CG LEU A 34 14.231 2.715 -0.362 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.881 2.170 0.075 1.00 0.45 C ATOM 524 CD2 LEU A 34 15.333 1.757 0.039 1.00 0.28 C ATOM 0 H LEU A 34 13.777 4.892 -3.321 1.00 0.32 H new ATOM 0 HA LEU A 34 15.979 4.199 -1.526 1.00 0.30 H new ATOM 0 HB2 LEU A 34 13.291 3.355 -2.174 1.00 0.30 H new ATOM 0 HB3 LEU A 34 14.377 1.993 -2.371 1.00 0.30 H new ATOM 0 HG LEU A 34 14.394 3.671 0.136 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.886 2.008 1.153 1.00 0.45 H new ATOM 0 HD12 LEU A 34 12.100 2.886 -0.181 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.688 1.225 -0.433 1.00 0.45 H new ATOM 0 HD21 LEU A 34 15.301 1.596 1.117 1.00 0.28 H new ATOM 0 HD22 LEU A 34 15.193 0.806 -0.474 1.00 0.28 H new ATOM 0 HD23 LEU A 34 16.300 2.179 -0.237 1.00 0.28 H new ATOM 536 N SER A 35 17.520 3.447 -3.245 1.00 0.32 N ATOM 537 CA SER A 35 18.485 2.968 -4.211 1.00 0.33 C ATOM 538 C SER A 35 18.584 1.459 -4.142 1.00 0.32 C ATOM 539 O SER A 35 18.192 0.861 -3.147 1.00 0.30 O ATOM 540 CB SER A 35 19.845 3.626 -3.979 1.00 0.37 C ATOM 541 OG SER A 35 20.774 3.271 -4.991 1.00 0.40 O ATOM 0 H SER A 35 17.925 3.969 -2.468 1.00 0.32 H new ATOM 0 HA SER A 35 18.151 3.240 -5.212 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.727 4.709 -3.956 1.00 0.37 H new ATOM 0 HB3 SER A 35 20.234 3.327 -3.006 1.00 0.37 H new ATOM 0 HG SER A 35 21.633 3.709 -4.815 1.00 0.40 H new ATOM 547 N LYS A 36 19.092 0.856 -5.209 1.00 0.38 N ATOM 548 CA LYS A 36 19.151 -0.592 -5.323 1.00 0.42 C ATOM 549 C LYS A 36 19.699 -1.227 -4.055 1.00 0.36 C ATOM 550 O LYS A 36 19.013 -2.011 -3.415 1.00 0.35 O ATOM 551 CB LYS A 36 20.006 -1.005 -6.518 1.00 0.53 C ATOM 552 CG LYS A 36 20.080 -2.509 -6.699 1.00 0.62 C ATOM 553 CD LYS A 36 20.886 -2.884 -7.924 1.00 0.66 C ATOM 554 CE LYS A 36 20.853 -4.385 -8.159 1.00 0.61 C ATOM 555 NZ LYS A 36 21.541 -4.770 -9.419 1.00 0.65 N ATOM 0 H LYS A 36 19.472 1.354 -6.014 1.00 0.38 H new ATOM 0 HA LYS A 36 18.132 -0.948 -5.473 1.00 0.42 H new ATOM 0 HB2 LYS A 36 19.598 -0.555 -7.423 1.00 0.53 H new ATOM 0 HB3 LYS A 36 21.014 -0.609 -6.391 1.00 0.53 H new ATOM 0 HG2 LYS A 36 20.530 -2.961 -5.815 1.00 0.62 H new ATOM 0 HG3 LYS A 36 19.072 -2.915 -6.787 1.00 0.62 H new ATOM 0 HD2 LYS A 36 20.489 -2.367 -8.797 1.00 0.66 H new ATOM 0 HD3 LYS A 36 21.918 -2.554 -7.800 1.00 0.66 H new ATOM 0 HE2 LYS A 36 21.326 -4.893 -7.319 1.00 0.61 H new ATOM 0 HE3 LYS A 36 19.817 -4.723 -8.194 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 21.243 -5.726 -9.699 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 21.291 -4.096 -10.171 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 22.570 -4.757 -9.270 1.00 0.65 H new ATOM 569 N THR A 37 20.908 -0.852 -3.672 1.00 0.37 N ATOM 570 CA THR A 37 21.563 -1.457 -2.523 1.00 0.38 C ATOM 571 C THR A 37 20.805 -1.162 -1.232 1.00 0.36 C ATOM 572 O THR A 37 20.754 -1.996 -0.323 1.00 0.38 O ATOM 573 CB THR A 37 23.005 -0.969 -2.377 1.00 0.44 C ATOM 574 OG1 THR A 37 23.720 -1.191 -3.600 1.00 0.48 O ATOM 575 CG2 THR A 37 23.688 -1.710 -1.241 1.00 0.49 C ATOM 0 H THR A 37 21.457 -0.131 -4.140 1.00 0.37 H new ATOM 0 HA THR A 37 21.568 -2.533 -2.699 1.00 0.38 H new ATOM 0 HB THR A 37 22.999 0.098 -2.155 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.642 -0.875 -3.502 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.715 -1.358 -1.142 1.00 0.49 H new ATOM 0 HG22 THR A 37 23.150 -1.526 -0.311 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.690 -2.779 -1.453 1.00 0.49 H new ATOM 583 N GLU A 38 20.202 0.014 -1.159 1.00 0.34 N ATOM 584 CA GLU A 38 19.406 0.374 -0.003 1.00 0.34 C ATOM 585 C GLU A 38 18.201 -0.533 0.036 1.00 0.34 C ATOM 586 O GLU A 38 17.873 -1.097 1.064 1.00 0.48 O ATOM 587 CB GLU A 38 18.974 1.832 -0.066 1.00 0.35 C ATOM 588 CG GLU A 38 20.113 2.758 -0.457 1.00 0.47 C ATOM 589 CD GLU A 38 19.678 4.187 -0.689 1.00 1.27 C ATOM 590 OE1 GLU A 38 18.483 4.415 -0.950 1.00 1.96 O ATOM 591 OE2 GLU A 38 20.549 5.084 -0.633 1.00 2.16 O ATOM 0 H GLU A 38 20.250 0.730 -1.884 1.00 0.34 H new ATOM 0 HA GLU A 38 20.000 0.253 0.903 1.00 0.34 H new ATOM 0 HB2 GLU A 38 18.162 1.936 -0.785 1.00 0.35 H new ATOM 0 HB3 GLU A 38 18.581 2.134 0.905 1.00 0.35 H new ATOM 0 HG2 GLU A 38 20.870 2.740 0.327 1.00 0.47 H new ATOM 0 HG3 GLU A 38 20.584 2.378 -1.364 1.00 0.47 H new ATOM 598 N PHE A 39 17.603 -0.731 -1.125 1.00 0.29 N ATOM 599 CA PHE A 39 16.430 -1.562 -1.254 1.00 0.31 C ATOM 600 C PHE A 39 16.784 -3.004 -0.957 1.00 0.28 C ATOM 601 O PHE A 39 15.966 -3.765 -0.474 1.00 0.27 O ATOM 602 CB PHE A 39 15.863 -1.436 -2.664 1.00 0.53 C ATOM 603 CG PHE A 39 14.527 -2.087 -2.834 1.00 0.81 C ATOM 604 CD1 PHE A 39 13.435 -1.648 -2.105 1.00 1.78 C ATOM 605 CD2 PHE A 39 14.362 -3.133 -3.723 1.00 1.76 C ATOM 606 CE1 PHE A 39 12.202 -2.243 -2.260 1.00 2.66 C ATOM 607 CE2 PHE A 39 13.131 -3.731 -3.883 1.00 2.62 C ATOM 608 CZ PHE A 39 12.048 -3.287 -3.151 1.00 2.88 C ATOM 0 H PHE A 39 17.920 -0.318 -2.002 1.00 0.29 H new ATOM 0 HA PHE A 39 15.676 -1.233 -0.539 1.00 0.31 H new ATOM 0 HB2 PHE A 39 15.778 -0.380 -2.919 1.00 0.53 H new ATOM 0 HB3 PHE A 39 16.566 -1.879 -3.370 1.00 0.53 H new ATOM 0 HD1 PHE A 39 13.551 -0.831 -1.408 1.00 1.78 H new ATOM 0 HD2 PHE A 39 15.206 -3.485 -4.298 1.00 1.76 H new ATOM 0 HE1 PHE A 39 11.357 -1.893 -1.685 1.00 2.66 H new ATOM 0 HE2 PHE A 39 13.013 -4.547 -4.581 1.00 2.62 H new ATOM 0 HZ PHE A 39 11.083 -3.755 -3.275 1.00 2.88 H new ATOM 618 N LEU A 40 18.020 -3.365 -1.245 1.00 0.33 N ATOM 619 CA LEU A 40 18.503 -4.702 -0.967 1.00 0.37 C ATOM 620 C LEU A 40 18.500 -4.960 0.535 1.00 0.40 C ATOM 621 O LEU A 40 17.918 -5.930 1.010 1.00 0.43 O ATOM 622 CB LEU A 40 19.914 -4.884 -1.529 1.00 0.43 C ATOM 623 CG LEU A 40 20.074 -4.625 -3.031 1.00 0.50 C ATOM 624 CD1 LEU A 40 21.327 -5.297 -3.567 1.00 1.07 C ATOM 625 CD2 LEU A 40 18.840 -5.068 -3.800 1.00 0.46 C ATOM 0 H LEU A 40 18.710 -2.747 -1.673 1.00 0.33 H new ATOM 0 HA LEU A 40 17.839 -5.420 -1.449 1.00 0.37 H new ATOM 0 HB2 LEU A 40 20.587 -4.217 -0.991 1.00 0.43 H new ATOM 0 HB3 LEU A 40 20.239 -5.903 -1.319 1.00 0.43 H new ATOM 0 HG LEU A 40 20.183 -3.550 -3.176 1.00 0.50 H new ATOM 0 HD11 LEU A 40 21.418 -5.098 -4.635 1.00 1.07 H new ATOM 0 HD12 LEU A 40 22.201 -4.903 -3.049 1.00 1.07 H new ATOM 0 HD13 LEU A 40 21.262 -6.373 -3.402 1.00 1.07 H new ATOM 0 HD21 LEU A 40 18.983 -4.872 -4.863 1.00 0.46 H new ATOM 0 HD22 LEU A 40 18.679 -6.135 -3.647 1.00 0.46 H new ATOM 0 HD23 LEU A 40 17.971 -4.515 -3.443 1.00 0.46 H new ATOM 637 N SER A 41 19.127 -4.066 1.279 1.00 0.42 N ATOM 638 CA SER A 41 19.217 -4.212 2.723 1.00 0.52 C ATOM 639 C SER A 41 17.856 -3.976 3.368 1.00 0.45 C ATOM 640 O SER A 41 17.459 -4.691 4.286 1.00 0.47 O ATOM 641 CB SER A 41 20.248 -3.233 3.284 1.00 0.67 C ATOM 642 OG SER A 41 20.410 -3.395 4.683 1.00 1.40 O ATOM 0 H SER A 41 19.581 -3.231 0.908 1.00 0.42 H new ATOM 0 HA SER A 41 19.535 -5.229 2.953 1.00 0.52 H new ATOM 0 HB2 SER A 41 21.205 -3.386 2.786 1.00 0.67 H new ATOM 0 HB3 SER A 41 19.936 -2.211 3.069 1.00 0.67 H new ATOM 0 HG SER A 41 21.077 -2.756 5.011 1.00 1.40 H new ATOM 648 N PHE A 42 17.139 -2.981 2.868 1.00 0.42 N ATOM 649 CA PHE A 42 15.834 -2.625 3.396 1.00 0.46 C ATOM 650 C PHE A 42 14.806 -3.686 3.061 1.00 0.29 C ATOM 651 O PHE A 42 14.174 -4.197 3.959 1.00 0.43 O ATOM 652 CB PHE A 42 15.463 -1.218 2.944 1.00 0.80 C ATOM 653 CG PHE A 42 16.356 -0.224 3.641 1.00 1.89 C ATOM 654 CD1 PHE A 42 16.588 -0.353 5.005 1.00 2.77 C ATOM 655 CD2 PHE A 42 16.969 0.813 2.965 1.00 2.69 C ATOM 656 CE1 PHE A 42 17.406 0.529 5.674 1.00 3.80 C ATOM 657 CE2 PHE A 42 17.788 1.703 3.632 1.00 3.73 C ATOM 658 CZ PHE A 42 18.004 1.557 4.991 1.00 4.13 C ATOM 0 H PHE A 42 17.445 -2.400 2.087 1.00 0.42 H new ATOM 0 HA PHE A 42 15.863 -2.598 4.485 1.00 0.46 H new ATOM 0 HB2 PHE A 42 15.573 -1.129 1.863 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.418 -1.012 3.176 1.00 0.80 H new ATOM 0 HD1 PHE A 42 16.119 -1.159 5.549 1.00 2.77 H new ATOM 0 HD2 PHE A 42 16.806 0.929 1.904 1.00 2.69 H new ATOM 0 HE1 PHE A 42 17.576 0.412 6.734 1.00 3.80 H new ATOM 0 HE2 PHE A 42 18.259 2.512 3.094 1.00 3.73 H new ATOM 0 HZ PHE A 42 18.644 2.253 5.514 1.00 4.13 H new ATOM 668 N MET A 43 14.696 -4.112 1.815 1.00 0.26 N ATOM 669 CA MET A 43 13.725 -5.156 1.496 1.00 0.29 C ATOM 670 C MET A 43 14.092 -6.468 2.192 1.00 0.29 C ATOM 671 O MET A 43 13.257 -7.341 2.373 1.00 0.37 O ATOM 672 CB MET A 43 13.581 -5.382 -0.008 1.00 0.39 C ATOM 673 CG MET A 43 12.385 -6.259 -0.354 1.00 0.62 C ATOM 674 SD MET A 43 12.071 -6.411 -2.123 1.00 1.22 S ATOM 675 CE MET A 43 10.612 -7.448 -2.092 1.00 2.26 C ATOM 0 H MET A 43 15.245 -3.768 1.027 1.00 0.26 H new ATOM 0 HA MET A 43 12.760 -4.810 1.867 1.00 0.29 H new ATOM 0 HB2 MET A 43 13.478 -4.419 -0.509 1.00 0.39 H new ATOM 0 HB3 MET A 43 14.490 -5.845 -0.391 1.00 0.39 H new ATOM 0 HG2 MET A 43 12.545 -7.254 0.063 1.00 0.62 H new ATOM 0 HG3 MET A 43 11.497 -5.850 0.128 1.00 0.62 H new ATOM 0 HE1 MET A 43 9.939 -7.153 -2.897 1.00 2.26 H new ATOM 0 HE2 MET A 43 10.903 -8.490 -2.226 1.00 2.26 H new ATOM 0 HE3 MET A 43 10.105 -7.334 -1.134 1.00 2.26 H new ATOM 685 N ASN A 44 15.345 -6.602 2.592 1.00 0.29 N ATOM 686 CA ASN A 44 15.780 -7.781 3.335 1.00 0.33 C ATOM 687 C ASN A 44 15.638 -7.569 4.846 1.00 0.32 C ATOM 688 O ASN A 44 15.828 -8.493 5.635 1.00 0.39 O ATOM 689 CB ASN A 44 17.217 -8.118 2.948 1.00 0.42 C ATOM 690 CG ASN A 44 17.828 -9.253 3.747 1.00 1.05 C ATOM 691 OD1 ASN A 44 17.626 -10.425 3.437 1.00 1.54 O ATOM 692 ND2 ASN A 44 18.612 -8.909 4.761 1.00 1.83 N ATOM 0 H ASN A 44 16.079 -5.915 2.418 1.00 0.29 H new ATOM 0 HA ASN A 44 15.139 -8.624 3.075 1.00 0.33 H new ATOM 0 HB2 ASN A 44 17.245 -8.378 1.890 1.00 0.42 H new ATOM 0 HB3 ASN A 44 17.833 -7.228 3.074 1.00 0.42 H new ATOM 0 HD21 ASN A 44 19.073 -9.630 5.316 1.00 1.83 H new ATOM 0 HD22 ASN A 44 18.753 -7.924 4.985 1.00 1.83 H new ATOM 699 N THR A 45 15.304 -6.355 5.249 1.00 0.26 N ATOM 700 CA THR A 45 15.022 -6.078 6.657 1.00 0.29 C ATOM 701 C THR A 45 13.536 -5.882 6.886 1.00 0.28 C ATOM 702 O THR A 45 12.894 -6.641 7.613 1.00 0.34 O ATOM 703 CB THR A 45 15.773 -4.841 7.184 1.00 0.29 C ATOM 704 OG1 THR A 45 15.791 -3.805 6.198 1.00 0.34 O ATOM 705 CG2 THR A 45 17.194 -5.192 7.570 1.00 0.34 C ATOM 0 H THR A 45 15.220 -5.548 4.631 1.00 0.26 H new ATOM 0 HA THR A 45 15.374 -6.950 7.208 1.00 0.29 H new ATOM 0 HB THR A 45 15.245 -4.487 8.069 1.00 0.29 H new ATOM 0 HG1 THR A 45 16.411 -4.048 5.479 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.702 -4.301 7.939 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.182 -5.952 8.351 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.723 -5.577 6.698 1.00 0.34 H new ATOM 713 N GLU A 46 12.998 -4.872 6.231 1.00 0.23 N ATOM 714 CA GLU A 46 11.618 -4.492 6.399 1.00 0.25 C ATOM 715 C GLU A 46 10.696 -5.426 5.637 1.00 0.25 C ATOM 716 O GLU A 46 9.546 -5.628 6.024 1.00 0.34 O ATOM 717 CB GLU A 46 11.390 -3.010 6.035 1.00 0.29 C ATOM 718 CG GLU A 46 12.073 -2.491 4.778 1.00 0.58 C ATOM 719 CD GLU A 46 11.286 -2.758 3.518 1.00 1.17 C ATOM 720 OE1 GLU A 46 10.354 -1.984 3.226 1.00 1.70 O ATOM 721 OE2 GLU A 46 11.609 -3.730 2.819 1.00 1.68 O ATOM 0 H GLU A 46 13.511 -4.293 5.566 1.00 0.23 H new ATOM 0 HA GLU A 46 11.368 -4.593 7.455 1.00 0.25 H new ATOM 0 HB2 GLU A 46 10.317 -2.849 5.928 1.00 0.29 H new ATOM 0 HB3 GLU A 46 11.721 -2.401 6.876 1.00 0.29 H new ATOM 0 HG2 GLU A 46 12.234 -1.418 4.877 1.00 0.58 H new ATOM 0 HG3 GLU A 46 13.056 -2.954 4.689 1.00 0.58 H new ATOM 728 N LEU A 47 11.203 -6.035 4.586 1.00 0.25 N ATOM 729 CA LEU A 47 10.419 -7.031 3.873 1.00 0.26 C ATOM 730 C LEU A 47 11.095 -8.378 3.905 1.00 0.28 C ATOM 731 O LEU A 47 10.859 -9.230 3.051 1.00 0.30 O ATOM 732 CB LEU A 47 10.155 -6.590 2.447 1.00 0.26 C ATOM 733 CG LEU A 47 9.284 -5.347 2.339 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.235 -4.856 0.908 1.00 0.32 C ATOM 735 CD2 LEU A 47 7.889 -5.633 2.871 1.00 0.27 C ATOM 0 H LEU A 47 12.136 -5.866 4.209 1.00 0.25 H new ATOM 0 HA LEU A 47 9.459 -7.128 4.380 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.108 -6.398 1.954 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.675 -7.406 1.907 1.00 0.26 H new ATOM 0 HG LEU A 47 9.723 -4.557 2.948 1.00 0.27 H new ATOM 0 HD11 LEU A 47 8.608 -3.967 0.850 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.243 -4.612 0.572 1.00 0.32 H new ATOM 0 HD13 LEU A 47 8.819 -5.636 0.270 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.277 -4.735 2.788 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.436 -6.436 2.290 1.00 0.27 H new ATOM 0 HD23 LEU A 47 7.953 -5.933 3.917 1.00 0.27 H new ATOM 747 N ALA A 48 11.952 -8.551 4.896 1.00 0.32 N ATOM 748 CA ALA A 48 12.572 -9.830 5.176 1.00 0.36 C ATOM 749 C ALA A 48 11.548 -10.959 5.205 1.00 0.39 C ATOM 750 O ALA A 48 11.834 -12.064 4.769 1.00 0.44 O ATOM 751 CB ALA A 48 13.307 -9.747 6.494 1.00 0.41 C ATOM 0 H ALA A 48 12.237 -7.805 5.530 1.00 0.32 H new ATOM 0 HA ALA A 48 13.276 -10.056 4.375 1.00 0.36 H new ATOM 0 HB1 ALA A 48 13.776 -10.707 6.710 1.00 0.41 H new ATOM 0 HB2 ALA A 48 14.073 -8.974 6.435 1.00 0.41 H new ATOM 0 HB3 ALA A 48 12.603 -9.500 7.288 1.00 0.41 H new ATOM 757 N ALA A 49 10.354 -10.664 5.702 1.00 0.38 N ATOM 758 CA ALA A 49 9.269 -11.639 5.733 1.00 0.41 C ATOM 759 C ALA A 49 9.021 -12.225 4.343 1.00 0.41 C ATOM 760 O ALA A 49 8.767 -13.420 4.191 1.00 0.47 O ATOM 761 CB ALA A 49 8.008 -10.984 6.268 1.00 0.44 C ATOM 0 H ALA A 49 10.111 -9.753 6.091 1.00 0.38 H new ATOM 0 HA ALA A 49 9.554 -12.458 6.394 1.00 0.41 H new ATOM 0 HB1 ALA A 49 7.200 -11.715 6.290 1.00 0.44 H new ATOM 0 HB2 ALA A 49 8.190 -10.614 7.277 1.00 0.44 H new ATOM 0 HB3 ALA A 49 7.728 -10.152 5.622 1.00 0.44 H new ATOM 767 N PHE A 50 9.118 -11.371 3.337 1.00 0.36 N ATOM 768 CA PHE A 50 8.942 -11.773 1.951 1.00 0.37 C ATOM 769 C PHE A 50 10.257 -12.300 1.384 1.00 0.38 C ATOM 770 O PHE A 50 10.314 -13.375 0.787 1.00 0.44 O ATOM 771 CB PHE A 50 8.484 -10.567 1.132 1.00 0.35 C ATOM 772 CG PHE A 50 8.102 -10.897 -0.284 1.00 0.70 C ATOM 773 CD1 PHE A 50 6.823 -11.342 -0.584 1.00 1.32 C ATOM 774 CD2 PHE A 50 9.019 -10.762 -1.317 1.00 1.63 C ATOM 775 CE1 PHE A 50 6.467 -11.644 -1.885 1.00 1.66 C ATOM 776 CE2 PHE A 50 8.668 -11.063 -2.619 1.00 2.09 C ATOM 777 CZ PHE A 50 7.392 -11.505 -2.903 1.00 1.80 C ATOM 0 H PHE A 50 9.321 -10.379 3.458 1.00 0.36 H new ATOM 0 HA PHE A 50 8.193 -12.563 1.901 1.00 0.37 H new ATOM 0 HB2 PHE A 50 7.631 -10.106 1.629 1.00 0.35 H new ATOM 0 HB3 PHE A 50 9.283 -9.826 1.118 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.097 -11.454 0.208 1.00 1.32 H new ATOM 0 HD2 PHE A 50 10.019 -10.417 -1.100 1.00 1.63 H new ATOM 0 HE1 PHE A 50 5.467 -11.988 -2.106 1.00 1.66 H new ATOM 0 HE2 PHE A 50 9.391 -10.953 -3.413 1.00 2.09 H new ATOM 0 HZ PHE A 50 7.116 -11.742 -3.920 1.00 1.80 H new ATOM 787 N THR A 51 11.308 -11.524 1.597 1.00 0.36 N ATOM 788 CA THR A 51 12.628 -11.798 1.049 1.00 0.40 C ATOM 789 C THR A 51 13.201 -13.135 1.533 1.00 0.45 C ATOM 790 O THR A 51 13.919 -13.815 0.802 1.00 0.54 O ATOM 791 CB THR A 51 13.569 -10.638 1.418 1.00 0.39 C ATOM 792 OG1 THR A 51 13.080 -9.434 0.820 1.00 0.39 O ATOM 793 CG2 THR A 51 14.996 -10.894 0.963 1.00 0.49 C ATOM 0 H THR A 51 11.268 -10.676 2.162 1.00 0.36 H new ATOM 0 HA THR A 51 12.537 -11.879 -0.034 1.00 0.40 H new ATOM 0 HB THR A 51 13.585 -10.546 2.504 1.00 0.39 H new ATOM 0 HG1 THR A 51 13.345 -8.666 1.368 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.625 -10.049 1.245 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.372 -11.800 1.437 1.00 0.49 H new ATOM 0 HG23 THR A 51 15.016 -11.016 -0.120 1.00 0.49 H new ATOM 801 N LYS A 52 12.873 -13.517 2.757 1.00 0.48 N ATOM 802 CA LYS A 52 13.361 -14.775 3.311 1.00 0.60 C ATOM 803 C LYS A 52 12.468 -15.929 2.898 1.00 0.69 C ATOM 804 O LYS A 52 12.837 -17.099 3.026 1.00 0.84 O ATOM 805 CB LYS A 52 13.432 -14.693 4.832 1.00 0.70 C ATOM 806 CG LYS A 52 14.359 -13.598 5.325 1.00 0.78 C ATOM 807 CD LYS A 52 15.793 -13.851 4.898 1.00 1.07 C ATOM 808 CE LYS A 52 16.694 -12.694 5.282 1.00 1.24 C ATOM 809 NZ LYS A 52 18.106 -12.936 4.887 1.00 1.82 N ATOM 0 H LYS A 52 12.275 -12.980 3.384 1.00 0.48 H new ATOM 0 HA LYS A 52 14.362 -14.952 2.917 1.00 0.60 H new ATOM 0 HB2 LYS A 52 12.431 -14.520 5.228 1.00 0.70 H new ATOM 0 HB3 LYS A 52 13.769 -15.652 5.226 1.00 0.70 H new ATOM 0 HG2 LYS A 52 14.027 -12.636 4.936 1.00 0.78 H new ATOM 0 HG3 LYS A 52 14.307 -13.538 6.412 1.00 0.78 H new ATOM 0 HD2 LYS A 52 16.157 -14.768 5.362 1.00 1.07 H new ATOM 0 HD3 LYS A 52 15.832 -14.003 3.819 1.00 1.07 H new ATOM 0 HE2 LYS A 52 16.335 -11.781 4.806 1.00 1.24 H new ATOM 0 HE3 LYS A 52 16.641 -12.534 6.359 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 18.703 -12.973 5.738 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 18.174 -13.840 4.377 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 18.431 -12.165 4.269 1.00 1.82 H new ATOM 902 N GLY A 58 18.648 -12.495 -5.577 1.00 0.67 N ATOM 903 CA GLY A 58 18.372 -11.927 -6.874 1.00 0.56 C ATOM 904 C GLY A 58 16.949 -11.442 -7.002 1.00 0.49 C ATOM 905 O GLY A 58 16.608 -10.765 -7.967 1.00 0.48 O ATOM 0 HA2 GLY A 58 19.053 -11.096 -7.055 1.00 0.56 H new ATOM 0 HA3 GLY A 58 18.568 -12.674 -7.643 1.00 0.56 H new ATOM 909 N VAL A 59 16.105 -11.786 -6.040 1.00 0.52 N ATOM 910 CA VAL A 59 14.710 -11.382 -6.101 1.00 0.52 C ATOM 911 C VAL A 59 14.563 -9.884 -5.944 1.00 0.49 C ATOM 912 O VAL A 59 13.838 -9.251 -6.705 1.00 0.49 O ATOM 913 CB VAL A 59 13.835 -12.097 -5.046 1.00 0.61 C ATOM 914 CG1 VAL A 59 14.348 -11.845 -3.635 1.00 0.65 C ATOM 915 CG2 VAL A 59 12.389 -11.644 -5.169 1.00 0.66 C ATOM 0 H VAL A 59 16.358 -12.336 -5.219 1.00 0.52 H new ATOM 0 HA VAL A 59 14.356 -11.679 -7.088 1.00 0.52 H new ATOM 0 HB VAL A 59 13.891 -13.169 -5.235 1.00 0.61 H new ATOM 0 HG11 VAL A 59 13.710 -12.362 -2.918 1.00 0.65 H new ATOM 0 HG12 VAL A 59 15.369 -12.217 -3.547 1.00 0.65 H new ATOM 0 HG13 VAL A 59 14.333 -10.775 -3.428 1.00 0.65 H new ATOM 0 HG21 VAL A 59 11.783 -12.155 -4.421 1.00 0.66 H new ATOM 0 HG22 VAL A 59 12.330 -10.567 -5.010 1.00 0.66 H new ATOM 0 HG23 VAL A 59 12.016 -11.885 -6.164 1.00 0.66 H new ATOM 925 N LEU A 60 15.272 -9.311 -4.986 1.00 0.48 N ATOM 926 CA LEU A 60 15.194 -7.880 -4.753 1.00 0.46 C ATOM 927 C LEU A 60 15.733 -7.161 -5.973 1.00 0.43 C ATOM 928 O LEU A 60 15.372 -6.024 -6.263 1.00 0.41 O ATOM 929 CB LEU A 60 15.995 -7.469 -3.518 1.00 0.48 C ATOM 930 CG LEU A 60 15.895 -8.419 -2.323 1.00 0.51 C ATOM 931 CD1 LEU A 60 16.698 -7.887 -1.146 1.00 0.51 C ATOM 932 CD2 LEU A 60 14.447 -8.629 -1.925 1.00 0.52 C ATOM 0 H LEU A 60 15.904 -9.811 -4.361 1.00 0.48 H new ATOM 0 HA LEU A 60 14.153 -7.610 -4.577 1.00 0.46 H new ATOM 0 HB2 LEU A 60 17.044 -7.377 -3.800 1.00 0.48 H new ATOM 0 HB3 LEU A 60 15.662 -6.480 -3.203 1.00 0.48 H new ATOM 0 HG LEU A 60 16.313 -9.381 -2.618 1.00 0.51 H new ATOM 0 HD11 LEU A 60 16.614 -8.577 -0.306 1.00 0.51 H new ATOM 0 HD12 LEU A 60 17.745 -7.791 -1.433 1.00 0.51 H new ATOM 0 HD13 LEU A 60 16.311 -6.911 -0.853 1.00 0.51 H new ATOM 0 HD21 LEU A 60 14.398 -9.308 -1.073 1.00 0.52 H new ATOM 0 HD22 LEU A 60 14.002 -7.672 -1.652 1.00 0.52 H new ATOM 0 HD23 LEU A 60 13.898 -9.058 -2.763 1.00 0.52 H new ATOM 944 N ASP A 61 16.588 -7.870 -6.692 1.00 0.46 N ATOM 945 CA ASP A 61 17.166 -7.375 -7.929 1.00 0.46 C ATOM 946 C ASP A 61 16.081 -7.287 -8.988 1.00 0.47 C ATOM 947 O ASP A 61 15.987 -6.310 -9.735 1.00 0.51 O ATOM 948 CB ASP A 61 18.283 -8.313 -8.391 1.00 0.47 C ATOM 949 CG ASP A 61 19.113 -7.742 -9.523 1.00 0.48 C ATOM 950 OD1 ASP A 61 18.690 -7.848 -10.693 1.00 1.19 O ATOM 951 OD2 ASP A 61 20.207 -7.202 -9.248 1.00 1.22 O ATOM 0 H ASP A 61 16.901 -8.806 -6.433 1.00 0.46 H new ATOM 0 HA ASP A 61 17.589 -6.384 -7.766 1.00 0.46 H new ATOM 0 HB2 ASP A 61 18.936 -8.534 -7.546 1.00 0.47 H new ATOM 0 HB3 ASP A 61 17.845 -9.258 -8.711 1.00 0.47 H new ATOM 956 N ARG A 62 15.244 -8.316 -9.011 1.00 0.47 N ATOM 957 CA ARG A 62 14.115 -8.387 -9.924 1.00 0.51 C ATOM 958 C ARG A 62 13.093 -7.315 -9.579 1.00 0.50 C ATOM 959 O ARG A 62 12.596 -6.613 -10.459 1.00 0.56 O ATOM 960 CB ARG A 62 13.449 -9.761 -9.831 1.00 0.55 C ATOM 961 CG ARG A 62 14.406 -10.922 -10.020 1.00 0.55 C ATOM 962 CD ARG A 62 13.710 -12.252 -9.811 1.00 0.62 C ATOM 963 NE ARG A 62 12.576 -12.424 -10.717 1.00 1.45 N ATOM 964 CZ ARG A 62 11.763 -13.478 -10.707 1.00 1.97 C ATOM 965 NH1 ARG A 62 11.953 -14.468 -9.843 1.00 1.66 N ATOM 966 NH2 ARG A 62 10.760 -13.540 -11.571 1.00 3.02 N ATOM 0 H ARG A 62 15.330 -9.125 -8.396 1.00 0.47 H new ATOM 0 HA ARG A 62 14.481 -8.227 -10.938 1.00 0.51 H new ATOM 0 HB2 ARG A 62 12.967 -9.855 -8.858 1.00 0.55 H new ATOM 0 HB3 ARG A 62 12.663 -9.825 -10.584 1.00 0.55 H new ATOM 0 HG2 ARG A 62 14.831 -10.886 -11.023 1.00 0.55 H new ATOM 0 HG3 ARG A 62 15.236 -10.830 -9.319 1.00 0.55 H new ATOM 0 HD2 ARG A 62 14.423 -13.062 -9.964 1.00 0.62 H new ATOM 0 HD3 ARG A 62 13.364 -12.322 -8.780 1.00 0.62 H new ATOM 0 HE ARG A 62 12.396 -11.689 -11.401 1.00 1.45 H new ATOM 0 HH11 ARG A 62 12.727 -14.425 -9.180 1.00 1.66 H new ATOM 0 HH12 ARG A 62 11.325 -15.272 -9.842 1.00 1.66 H new ATOM 0 HH21 ARG A 62 10.614 -12.783 -12.239 1.00 3.02 H new ATOM 0 HH22 ARG A 62 10.134 -14.345 -11.568 1.00 3.02 H new ATOM 980 N MET A 63 12.781 -7.202 -8.289 1.00 0.45 N ATOM 981 CA MET A 63 11.803 -6.225 -7.818 1.00 0.44 C ATOM 982 C MET A 63 12.279 -4.835 -8.148 1.00 0.41 C ATOM 983 O MET A 63 11.526 -4.032 -8.686 1.00 0.42 O ATOM 984 CB MET A 63 11.591 -6.301 -6.310 1.00 0.43 C ATOM 985 CG MET A 63 11.507 -7.711 -5.765 1.00 0.49 C ATOM 986 SD MET A 63 10.107 -8.641 -6.425 1.00 0.64 S ATOM 987 CE MET A 63 8.728 -7.687 -5.789 1.00 1.54 C ATOM 0 H MET A 63 13.192 -7.775 -7.552 1.00 0.45 H new ATOM 0 HA MET A 63 10.860 -6.452 -8.316 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.409 -5.779 -5.813 1.00 0.43 H new ATOM 0 HB3 MET A 63 10.673 -5.770 -6.056 1.00 0.43 H new ATOM 0 HG2 MET A 63 12.431 -8.241 -5.999 1.00 0.49 H new ATOM 0 HG3 MET A 63 11.429 -7.671 -4.679 1.00 0.49 H new ATOM 0 HE1 MET A 63 8.008 -8.357 -5.319 1.00 1.54 H new ATOM 0 HE2 MET A 63 9.091 -6.970 -5.053 1.00 1.54 H new ATOM 0 HE3 MET A 63 8.246 -7.154 -6.608 1.00 1.54 H new ATOM 997 N MET A 64 13.536 -4.565 -7.815 1.00 0.41 N ATOM 998 CA MET A 64 14.140 -3.277 -8.082 1.00 0.42 C ATOM 999 C MET A 64 13.878 -2.867 -9.518 1.00 0.44 C ATOM 1000 O MET A 64 13.215 -1.881 -9.755 1.00 0.41 O ATOM 1001 CB MET A 64 15.643 -3.317 -7.796 1.00 0.55 C ATOM 1002 CG MET A 64 16.347 -1.987 -8.012 1.00 0.65 C ATOM 1003 SD MET A 64 16.890 -1.727 -9.713 1.00 1.87 S ATOM 1004 CE MET A 64 17.998 -3.116 -9.922 1.00 2.41 C ATOM 0 H MET A 64 14.157 -5.232 -7.356 1.00 0.41 H new ATOM 0 HA MET A 64 13.690 -2.536 -7.421 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.798 -3.636 -6.765 1.00 0.55 H new ATOM 0 HB3 MET A 64 16.105 -4.069 -8.436 1.00 0.55 H new ATOM 0 HG2 MET A 64 15.674 -1.178 -7.726 1.00 0.65 H new ATOM 0 HG3 MET A 64 17.212 -1.931 -7.351 1.00 0.65 H new ATOM 0 HE1 MET A 64 18.731 -2.884 -10.695 1.00 2.41 H new ATOM 0 HE2 MET A 64 18.512 -3.316 -8.982 1.00 2.41 H new ATOM 0 HE3 MET A 64 17.427 -3.996 -10.217 1.00 2.41 H new ATOM 1014 N LYS A 65 14.343 -3.666 -10.464 1.00 0.52 N ATOM 1015 CA LYS A 65 14.163 -3.345 -11.885 1.00 0.56 C ATOM 1016 C LYS A 65 12.687 -3.283 -12.275 1.00 0.54 C ATOM 1017 O LYS A 65 12.292 -2.473 -13.114 1.00 0.60 O ATOM 1018 CB LYS A 65 14.889 -4.350 -12.782 1.00 0.66 C ATOM 1019 CG LYS A 65 16.399 -4.166 -12.824 1.00 0.79 C ATOM 1020 CD LYS A 65 16.788 -2.719 -13.114 1.00 0.86 C ATOM 1021 CE LYS A 65 16.150 -2.193 -14.392 1.00 1.57 C ATOM 1022 NZ LYS A 65 16.435 -0.747 -14.602 1.00 2.49 N ATOM 0 H LYS A 65 14.845 -4.536 -10.285 1.00 0.52 H new ATOM 0 HA LYS A 65 14.599 -2.357 -12.035 1.00 0.56 H new ATOM 0 HB2 LYS A 65 14.666 -5.359 -12.434 1.00 0.66 H new ATOM 0 HB3 LYS A 65 14.495 -4.268 -13.795 1.00 0.66 H new ATOM 0 HG2 LYS A 65 16.829 -4.473 -11.871 1.00 0.79 H new ATOM 0 HG3 LYS A 65 16.823 -4.816 -13.589 1.00 0.79 H new ATOM 0 HD2 LYS A 65 16.489 -2.090 -12.276 1.00 0.86 H new ATOM 0 HD3 LYS A 65 17.873 -2.646 -13.196 1.00 0.86 H new ATOM 0 HE2 LYS A 65 16.521 -2.763 -15.244 1.00 1.57 H new ATOM 0 HE3 LYS A 65 15.072 -2.348 -14.350 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 15.888 -0.400 -15.415 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 16.167 -0.213 -13.751 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 17.450 -0.616 -14.787 1.00 2.49 H new ATOM 1036 N LYS A 66 11.889 -4.146 -11.668 1.00 0.50 N ATOM 1037 CA LYS A 66 10.451 -4.185 -11.906 1.00 0.52 C ATOM 1038 C LYS A 66 9.800 -2.857 -11.530 1.00 0.48 C ATOM 1039 O LYS A 66 8.960 -2.329 -12.256 1.00 0.55 O ATOM 1040 CB LYS A 66 9.838 -5.317 -11.077 1.00 0.55 C ATOM 1041 CG LYS A 66 8.330 -5.388 -11.107 1.00 0.91 C ATOM 1042 CD LYS A 66 7.848 -6.517 -10.215 1.00 0.96 C ATOM 1043 CE LYS A 66 6.503 -6.206 -9.600 1.00 0.73 C ATOM 1044 NZ LYS A 66 5.429 -6.093 -10.623 1.00 1.47 N ATOM 0 H LYS A 66 12.217 -4.840 -10.996 1.00 0.50 H new ATOM 0 HA LYS A 66 10.273 -4.361 -12.967 1.00 0.52 H new ATOM 0 HB2 LYS A 66 10.238 -6.266 -11.434 1.00 0.55 H new ATOM 0 HB3 LYS A 66 10.161 -5.204 -10.042 1.00 0.55 H new ATOM 0 HG2 LYS A 66 7.906 -4.442 -10.771 1.00 0.91 H new ATOM 0 HG3 LYS A 66 7.985 -5.547 -12.129 1.00 0.91 H new ATOM 0 HD2 LYS A 66 7.779 -7.436 -10.796 1.00 0.96 H new ATOM 0 HD3 LYS A 66 8.578 -6.694 -9.425 1.00 0.96 H new ATOM 0 HE2 LYS A 66 6.242 -6.988 -8.887 1.00 0.73 H new ATOM 0 HE3 LYS A 66 6.569 -5.273 -9.040 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 4.516 -5.930 -10.152 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 5.638 -5.297 -11.259 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 5.381 -6.973 -11.175 1.00 1.47 H new ATOM 1058 N LEU A 67 10.214 -2.323 -10.398 1.00 0.41 N ATOM 1059 CA LEU A 67 9.604 -1.130 -9.834 1.00 0.39 C ATOM 1060 C LEU A 67 10.324 0.126 -10.292 1.00 0.40 C ATOM 1061 O LEU A 67 9.707 1.179 -10.422 1.00 0.46 O ATOM 1062 CB LEU A 67 9.663 -1.220 -8.327 1.00 0.34 C ATOM 1063 CG LEU A 67 9.212 -2.561 -7.747 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.621 -2.669 -6.295 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.709 -2.743 -7.901 1.00 0.37 C ATOM 0 H LEU A 67 10.981 -2.701 -9.842 1.00 0.41 H new ATOM 0 HA LEU A 67 8.570 -1.071 -10.175 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.686 -1.027 -8.005 1.00 0.34 H new ATOM 0 HB3 LEU A 67 9.042 -0.430 -7.905 1.00 0.34 H new ATOM 0 HG LEU A 67 9.703 -3.359 -8.305 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.293 -3.629 -5.895 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.706 -2.594 -6.216 1.00 0.30 H new ATOM 0 HD13 LEU A 67 9.159 -1.862 -5.726 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.414 -3.704 -7.481 1.00 0.37 H new ATOM 0 HD22 LEU A 67 7.190 -1.942 -7.375 1.00 0.37 H new ATOM 0 HD23 LEU A 67 7.445 -2.713 -8.958 1.00 0.37 H new ATOM 1077 N ASP A 68 11.636 -0.006 -10.493 1.00 0.40 N ATOM 1078 CA ASP A 68 12.500 1.069 -10.991 1.00 0.42 C ATOM 1079 C ASP A 68 12.079 1.427 -12.404 1.00 0.52 C ATOM 1080 O ASP A 68 12.732 1.098 -13.397 1.00 0.56 O ATOM 1081 CB ASP A 68 13.966 0.605 -10.937 1.00 0.43 C ATOM 1082 CG ASP A 68 14.945 1.514 -11.661 1.00 0.46 C ATOM 1083 OD1 ASP A 68 15.072 2.697 -11.284 1.00 1.23 O ATOM 1084 OD2 ASP A 68 15.620 1.030 -12.603 1.00 1.13 O ATOM 0 H ASP A 68 12.137 -0.876 -10.312 1.00 0.40 H new ATOM 0 HA ASP A 68 12.404 1.960 -10.370 1.00 0.42 H new ATOM 0 HB2 ASP A 68 14.269 0.524 -9.893 1.00 0.43 H new ATOM 0 HB3 ASP A 68 14.033 -0.395 -11.367 1.00 0.43 H new ATOM 1089 N THR A 69 10.946 2.068 -12.467 1.00 0.59 N ATOM 1090 CA THR A 69 10.323 2.425 -13.712 1.00 0.74 C ATOM 1091 C THR A 69 10.907 3.734 -14.217 1.00 0.84 C ATOM 1092 O THR A 69 10.803 4.074 -15.397 1.00 0.99 O ATOM 1093 CB THR A 69 8.800 2.521 -13.519 1.00 0.79 C ATOM 1094 OG1 THR A 69 8.121 2.419 -14.779 1.00 0.90 O ATOM 1095 CG2 THR A 69 8.424 3.826 -12.846 1.00 0.83 C ATOM 0 H THR A 69 10.421 2.362 -11.643 1.00 0.59 H new ATOM 0 HA THR A 69 10.519 1.658 -14.461 1.00 0.74 H new ATOM 0 HB THR A 69 8.494 1.692 -12.881 1.00 0.79 H new ATOM 0 HG1 THR A 69 7.154 2.481 -14.635 1.00 0.90 H new ATOM 0 HG21 THR A 69 7.342 3.872 -12.720 1.00 0.83 H new ATOM 0 HG22 THR A 69 8.906 3.884 -11.870 1.00 0.83 H new ATOM 0 HG23 THR A 69 8.753 4.662 -13.463 1.00 0.83 H new ATOM 1103 N ASN A 70 11.540 4.455 -13.304 1.00 0.80 N ATOM 1104 CA ASN A 70 12.296 5.642 -13.649 1.00 0.94 C ATOM 1105 C ASN A 70 13.646 5.231 -14.206 1.00 0.86 C ATOM 1106 O ASN A 70 14.357 6.012 -14.841 1.00 0.97 O ATOM 1107 CB ASN A 70 12.486 6.493 -12.403 1.00 1.01 C ATOM 1108 CG ASN A 70 13.107 7.845 -12.692 1.00 1.25 C ATOM 1109 OD1 ASN A 70 12.912 8.419 -13.763 1.00 1.46 O ATOM 1110 ND2 ASN A 70 13.863 8.360 -11.738 1.00 1.66 N ATOM 0 H ASN A 70 11.542 4.232 -12.309 1.00 0.80 H new ATOM 0 HA ASN A 70 11.759 6.220 -14.401 1.00 0.94 H new ATOM 0 HB2 ASN A 70 11.520 6.640 -11.921 1.00 1.01 H new ATOM 0 HB3 ASN A 70 13.117 5.954 -11.696 1.00 1.01 H new ATOM 0 HD21 ASN A 70 14.310 9.266 -11.875 1.00 1.66 H new ATOM 0 HD22 ASN A 70 13.999 7.851 -10.864 1.00 1.66 H new ATOM 1117 N SER A 71 13.959 3.964 -13.960 1.00 0.70 N ATOM 1118 CA SER A 71 15.165 3.321 -14.449 1.00 0.66 C ATOM 1119 C SER A 71 16.415 4.076 -14.022 1.00 0.61 C ATOM 1120 O SER A 71 17.367 4.216 -14.789 1.00 0.65 O ATOM 1121 CB SER A 71 15.108 3.176 -15.969 1.00 0.82 C ATOM 1122 OG SER A 71 13.952 2.457 -16.364 1.00 1.47 O ATOM 0 H SER A 71 13.368 3.346 -13.404 1.00 0.70 H new ATOM 0 HA SER A 71 15.220 2.327 -14.005 1.00 0.66 H new ATOM 0 HB2 SER A 71 15.104 4.162 -16.433 1.00 0.82 H new ATOM 0 HB3 SER A 71 16.001 2.661 -16.323 1.00 0.82 H new ATOM 0 HG SER A 71 13.934 2.377 -17.341 1.00 1.47 H new ATOM 1128 N ASP A 72 16.409 4.540 -12.788 1.00 0.58 N ATOM 1129 CA ASP A 72 17.540 5.272 -12.248 1.00 0.65 C ATOM 1130 C ASP A 72 18.346 4.346 -11.352 1.00 0.56 C ATOM 1131 O ASP A 72 19.516 4.590 -11.056 1.00 0.66 O ATOM 1132 CB ASP A 72 17.057 6.490 -11.454 1.00 0.80 C ATOM 1133 CG ASP A 72 18.145 7.526 -11.243 1.00 0.93 C ATOM 1134 OD1 ASP A 72 19.019 7.324 -10.377 1.00 1.56 O ATOM 1135 OD2 ASP A 72 18.129 8.555 -11.952 1.00 1.53 O ATOM 0 H ASP A 72 15.632 4.423 -12.138 1.00 0.58 H new ATOM 0 HA ASP A 72 18.167 5.626 -13.066 1.00 0.65 H new ATOM 0 HB2 ASP A 72 16.220 6.951 -11.979 1.00 0.80 H new ATOM 0 HB3 ASP A 72 16.683 6.161 -10.485 1.00 0.80 H new ATOM 1140 N GLY A 73 17.710 3.256 -10.944 1.00 0.45 N ATOM 1141 CA GLY A 73 18.348 2.321 -10.046 1.00 0.46 C ATOM 1142 C GLY A 73 17.931 2.584 -8.627 1.00 0.41 C ATOM 1143 O GLY A 73 18.622 2.212 -7.675 1.00 0.44 O ATOM 0 H GLY A 73 16.761 3.004 -11.221 1.00 0.45 H new ATOM 0 HA2 GLY A 73 18.083 1.301 -10.326 1.00 0.46 H new ATOM 0 HA3 GLY A 73 19.431 2.405 -10.134 1.00 0.46 H new ATOM 1147 N GLN A 74 16.794 3.244 -8.500 1.00 0.38 N ATOM 1148 CA GLN A 74 16.234 3.606 -7.222 1.00 0.37 C ATOM 1149 C GLN A 74 14.729 3.431 -7.295 1.00 0.36 C ATOM 1150 O GLN A 74 14.171 3.317 -8.382 1.00 0.39 O ATOM 1151 CB GLN A 74 16.551 5.062 -6.889 1.00 0.38 C ATOM 1152 CG GLN A 74 18.028 5.414 -6.872 1.00 0.42 C ATOM 1153 CD GLN A 74 18.275 6.853 -6.459 1.00 0.50 C ATOM 1154 OE1 GLN A 74 18.331 7.752 -7.294 1.00 1.03 O ATOM 1155 NE2 GLN A 74 18.414 7.082 -5.162 1.00 1.25 N ATOM 0 H GLN A 74 16.231 3.545 -9.295 1.00 0.38 H new ATOM 0 HA GLN A 74 16.662 2.971 -6.447 1.00 0.37 H new ATOM 0 HB2 GLN A 74 16.050 5.702 -7.615 1.00 0.38 H new ATOM 0 HB3 GLN A 74 16.127 5.295 -5.912 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.550 4.747 -6.186 1.00 0.42 H new ATOM 0 HG3 GLN A 74 18.450 5.246 -7.863 1.00 0.42 H new ATOM 0 HE21 GLN A 74 18.361 6.309 -4.499 1.00 1.25 H new ATOM 0 HE22 GLN A 74 18.574 8.032 -4.826 1.00 1.25 H new ATOM 1164 N LEU A 75 14.081 3.419 -6.149 1.00 0.33 N ATOM 1165 CA LEU A 75 12.638 3.287 -6.098 1.00 0.32 C ATOM 1166 C LEU A 75 12.011 4.454 -5.394 1.00 0.32 C ATOM 1167 O LEU A 75 12.246 4.689 -4.206 1.00 0.32 O ATOM 1168 CB LEU A 75 12.217 1.995 -5.417 1.00 0.31 C ATOM 1169 CG LEU A 75 12.722 0.727 -6.092 1.00 0.33 C ATOM 1170 CD1 LEU A 75 12.165 -0.499 -5.399 1.00 0.35 C ATOM 1171 CD2 LEU A 75 12.345 0.738 -7.561 1.00 0.35 C ATOM 0 H LEU A 75 14.531 3.499 -5.237 1.00 0.33 H new ATOM 0 HA LEU A 75 12.287 3.265 -7.130 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.575 2.010 -4.387 1.00 0.31 H new ATOM 0 HB3 LEU A 75 11.128 1.960 -5.376 1.00 0.31 H new ATOM 0 HG LEU A 75 13.809 0.692 -6.014 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.536 -1.397 -5.894 1.00 0.35 H new ATOM 0 HD12 LEU A 75 12.482 -0.503 -4.356 1.00 0.35 H new ATOM 0 HD13 LEU A 75 11.076 -0.481 -5.448 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.710 -0.172 -8.037 1.00 0.35 H new ATOM 0 HD22 LEU A 75 11.261 0.789 -7.658 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.794 1.605 -8.045 1.00 0.35 H new ATOM 1183 N ASP A 76 11.235 5.195 -6.146 1.00 0.35 N ATOM 1184 CA ASP A 76 10.562 6.355 -5.623 1.00 0.36 C ATOM 1185 C ASP A 76 9.250 5.965 -4.990 1.00 0.33 C ATOM 1186 O ASP A 76 8.871 4.796 -4.980 1.00 0.32 O ATOM 1187 CB ASP A 76 10.398 7.425 -6.718 1.00 0.44 C ATOM 1188 CG ASP A 76 9.140 7.323 -7.586 1.00 0.91 C ATOM 1189 OD1 ASP A 76 8.011 7.320 -7.055 1.00 1.45 O ATOM 1190 OD2 ASP A 76 9.282 7.321 -8.825 1.00 1.68 O ATOM 0 H ASP A 76 11.054 5.011 -7.133 1.00 0.35 H new ATOM 0 HA ASP A 76 11.173 6.799 -4.837 1.00 0.36 H new ATOM 0 HB2 ASP A 76 10.406 8.405 -6.242 1.00 0.44 H new ATOM 0 HB3 ASP A 76 11.269 7.381 -7.372 1.00 0.44 H new ATOM 1195 N PHE A 77 8.593 6.955 -4.435 1.00 0.41 N ATOM 1196 CA PHE A 77 7.364 6.777 -3.691 1.00 0.49 C ATOM 1197 C PHE A 77 6.363 5.861 -4.397 1.00 0.39 C ATOM 1198 O PHE A 77 5.862 4.916 -3.800 1.00 0.39 O ATOM 1199 CB PHE A 77 6.771 8.153 -3.413 1.00 0.72 C ATOM 1200 CG PHE A 77 6.694 9.072 -4.606 1.00 1.76 C ATOM 1201 CD1 PHE A 77 7.765 9.891 -4.936 1.00 2.66 C ATOM 1202 CD2 PHE A 77 5.554 9.127 -5.389 1.00 2.56 C ATOM 1203 CE1 PHE A 77 7.698 10.740 -6.023 1.00 3.77 C ATOM 1204 CE2 PHE A 77 5.482 9.972 -6.477 1.00 3.67 C ATOM 1205 CZ PHE A 77 6.555 10.780 -6.795 1.00 4.15 C ATOM 0 H PHE A 77 8.901 7.926 -4.487 1.00 0.41 H new ATOM 0 HA PHE A 77 7.594 6.272 -2.753 1.00 0.49 H new ATOM 0 HB2 PHE A 77 5.767 8.023 -3.009 1.00 0.72 H new ATOM 0 HB3 PHE A 77 7.366 8.638 -2.639 1.00 0.72 H new ATOM 0 HD1 PHE A 77 8.662 9.864 -4.335 1.00 2.66 H new ATOM 0 HD2 PHE A 77 4.709 8.500 -5.145 1.00 2.56 H new ATOM 0 HE1 PHE A 77 8.539 11.372 -6.269 1.00 3.77 H new ATOM 0 HE2 PHE A 77 4.586 10.001 -7.080 1.00 3.67 H new ATOM 0 HZ PHE A 77 6.500 11.442 -7.646 1.00 4.15 H new ATOM 1215 N SER A 78 6.106 6.125 -5.661 1.00 0.39 N ATOM 1216 CA SER A 78 5.157 5.345 -6.436 1.00 0.38 C ATOM 1217 C SER A 78 5.722 3.968 -6.766 1.00 0.38 C ATOM 1218 O SER A 78 4.988 2.984 -6.834 1.00 0.44 O ATOM 1219 CB SER A 78 4.795 6.090 -7.722 1.00 0.45 C ATOM 1220 OG SER A 78 5.956 6.446 -8.459 1.00 1.31 O ATOM 0 H SER A 78 6.546 6.884 -6.181 1.00 0.39 H new ATOM 0 HA SER A 78 4.257 5.207 -5.837 1.00 0.38 H new ATOM 0 HB2 SER A 78 4.149 5.464 -8.338 1.00 0.45 H new ATOM 0 HB3 SER A 78 4.228 6.988 -7.477 1.00 0.45 H new ATOM 0 HG SER A 78 6.487 7.088 -7.943 1.00 1.31 H new ATOM 1226 N GLU A 79 7.034 3.901 -6.932 1.00 0.36 N ATOM 1227 CA GLU A 79 7.693 2.664 -7.325 1.00 0.42 C ATOM 1228 C GLU A 79 7.753 1.707 -6.141 1.00 0.33 C ATOM 1229 O GLU A 79 7.565 0.497 -6.285 1.00 0.33 O ATOM 1230 CB GLU A 79 9.092 2.966 -7.861 1.00 0.51 C ATOM 1231 CG GLU A 79 9.084 3.985 -8.990 1.00 0.64 C ATOM 1232 CD GLU A 79 10.467 4.310 -9.515 1.00 1.81 C ATOM 1233 OE1 GLU A 79 11.315 4.747 -8.721 1.00 2.57 O ATOM 1234 OE2 GLU A 79 10.692 4.162 -10.735 1.00 2.54 O ATOM 0 H GLU A 79 7.665 4.691 -6.800 1.00 0.36 H new ATOM 0 HA GLU A 79 7.120 2.186 -8.119 1.00 0.42 H new ATOM 0 HB2 GLU A 79 9.715 3.337 -7.047 1.00 0.51 H new ATOM 0 HB3 GLU A 79 9.548 2.041 -8.216 1.00 0.51 H new ATOM 0 HG2 GLU A 79 8.473 3.605 -9.808 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.612 4.902 -8.639 1.00 0.64 H new ATOM 1241 N PHE A 80 7.983 2.272 -4.965 1.00 0.28 N ATOM 1242 CA PHE A 80 7.977 1.511 -3.726 1.00 0.25 C ATOM 1243 C PHE A 80 6.556 1.062 -3.398 1.00 0.23 C ATOM 1244 O PHE A 80 6.344 0.052 -2.737 1.00 0.26 O ATOM 1245 CB PHE A 80 8.541 2.368 -2.588 1.00 0.31 C ATOM 1246 CG PHE A 80 8.696 1.632 -1.289 1.00 0.71 C ATOM 1247 CD1 PHE A 80 9.743 0.747 -1.102 1.00 1.26 C ATOM 1248 CD2 PHE A 80 7.796 1.828 -0.254 1.00 1.60 C ATOM 1249 CE1 PHE A 80 9.891 0.070 0.092 1.00 1.56 C ATOM 1250 CE2 PHE A 80 7.938 1.154 0.941 1.00 1.98 C ATOM 1251 CZ PHE A 80 8.987 0.272 1.115 1.00 1.64 C ATOM 0 H PHE A 80 8.178 3.266 -4.844 1.00 0.28 H new ATOM 0 HA PHE A 80 8.604 0.627 -3.844 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.512 2.761 -2.889 1.00 0.31 H new ATOM 0 HB3 PHE A 80 7.885 3.225 -2.433 1.00 0.31 H new ATOM 0 HD1 PHE A 80 10.453 0.584 -1.899 1.00 1.26 H new ATOM 0 HD2 PHE A 80 6.974 2.516 -0.384 1.00 1.60 H new ATOM 0 HE1 PHE A 80 10.714 -0.617 0.225 1.00 1.56 H new ATOM 0 HE2 PHE A 80 7.230 1.316 1.740 1.00 1.98 H new ATOM 0 HZ PHE A 80 9.099 -0.258 2.049 1.00 1.64 H new ATOM 1261 N LEU A 81 5.580 1.818 -3.873 1.00 0.25 N ATOM 1262 CA LEU A 81 4.185 1.469 -3.663 1.00 0.26 C ATOM 1263 C LEU A 81 3.717 0.445 -4.675 1.00 0.26 C ATOM 1264 O LEU A 81 2.814 -0.346 -4.396 1.00 0.27 O ATOM 1265 CB LEU A 81 3.314 2.702 -3.738 1.00 0.29 C ATOM 1266 CG LEU A 81 3.535 3.702 -2.607 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.727 4.956 -2.865 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.188 3.082 -1.252 1.00 0.29 C ATOM 0 H LEU A 81 5.727 2.675 -4.405 1.00 0.25 H new ATOM 0 HA LEU A 81 4.099 1.031 -2.668 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.496 3.202 -4.689 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.269 2.394 -3.734 1.00 0.29 H new ATOM 0 HG LEU A 81 4.590 3.973 -2.577 1.00 0.28 H new ATOM 0 HD11 LEU A 81 2.889 5.666 -2.054 1.00 0.34 H new ATOM 0 HD12 LEU A 81 3.041 5.404 -3.808 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.668 4.702 -2.919 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.354 3.815 -0.463 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.142 2.777 -1.249 1.00 0.29 H new ATOM 0 HD23 LEU A 81 3.821 2.212 -1.077 1.00 0.29 H new ATOM 1280 N ASN A 82 4.313 0.478 -5.856 1.00 0.26 N ATOM 1281 CA ASN A 82 4.108 -0.576 -6.828 1.00 0.26 C ATOM 1282 C ASN A 82 4.506 -1.896 -6.197 1.00 0.23 C ATOM 1283 O ASN A 82 3.859 -2.932 -6.377 1.00 0.25 O ATOM 1284 CB ASN A 82 4.960 -0.331 -8.076 1.00 0.30 C ATOM 1285 CG ASN A 82 4.400 0.740 -8.988 1.00 0.79 C ATOM 1286 OD1 ASN A 82 3.195 0.986 -9.016 1.00 1.51 O ATOM 1287 ND2 ASN A 82 5.275 1.375 -9.754 1.00 1.42 N ATOM 0 H ASN A 82 4.940 1.222 -6.161 1.00 0.26 H new ATOM 0 HA ASN A 82 3.059 -0.595 -7.125 1.00 0.26 H new ATOM 0 HB2 ASN A 82 5.966 -0.046 -7.769 1.00 0.30 H new ATOM 0 HB3 ASN A 82 5.049 -1.263 -8.634 1.00 0.30 H new ATOM 0 HD21 ASN A 82 4.958 2.099 -10.398 1.00 1.42 H new ATOM 0 HD22 ASN A 82 6.266 1.140 -9.699 1.00 1.42 H new ATOM 1294 N LEU A 83 5.594 -1.823 -5.453 1.00 0.23 N ATOM 1295 CA LEU A 83 6.077 -2.919 -4.647 1.00 0.24 C ATOM 1296 C LEU A 83 5.019 -3.380 -3.659 1.00 0.23 C ATOM 1297 O LEU A 83 4.676 -4.558 -3.617 1.00 0.25 O ATOM 1298 CB LEU A 83 7.306 -2.457 -3.891 1.00 0.27 C ATOM 1299 CG LEU A 83 7.744 -3.367 -2.761 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.250 -4.694 -3.302 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.796 -2.679 -1.914 1.00 0.36 C ATOM 0 H LEU A 83 6.173 -0.985 -5.394 1.00 0.23 H new ATOM 0 HA LEU A 83 6.319 -3.758 -5.299 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.131 -2.356 -4.596 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.112 -1.465 -3.484 1.00 0.27 H new ATOM 0 HG LEU A 83 6.883 -3.578 -2.127 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.559 -5.331 -2.473 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.454 -5.186 -3.861 1.00 0.35 H new ATOM 0 HD13 LEU A 83 9.100 -4.518 -3.961 1.00 0.35 H new ATOM 0 HD21 LEU A 83 9.103 -3.342 -1.105 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.660 -2.437 -2.533 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.382 -1.762 -1.494 1.00 0.36 H new ATOM 1313 N ILE A 84 4.522 -2.440 -2.861 1.00 0.24 N ATOM 1314 CA ILE A 84 3.470 -2.718 -1.889 1.00 0.26 C ATOM 1315 C ILE A 84 2.284 -3.406 -2.555 1.00 0.27 C ATOM 1316 O ILE A 84 1.632 -4.257 -1.950 1.00 0.29 O ATOM 1317 CB ILE A 84 3.029 -1.421 -1.162 1.00 0.29 C ATOM 1318 CG1 ILE A 84 3.819 -1.246 0.139 1.00 0.55 C ATOM 1319 CG2 ILE A 84 1.531 -1.412 -0.869 1.00 0.47 C ATOM 1320 CD1 ILE A 84 5.312 -1.097 -0.054 1.00 0.62 C ATOM 0 H ILE A 84 4.835 -1.469 -2.869 1.00 0.24 H new ATOM 0 HA ILE A 84 3.874 -3.398 -1.139 1.00 0.26 H new ATOM 0 HB ILE A 84 3.241 -0.586 -1.830 1.00 0.29 H new ATOM 0 HG12 ILE A 84 3.443 -0.367 0.663 1.00 0.55 H new ATOM 0 HG13 ILE A 84 3.632 -2.106 0.782 1.00 0.55 H new ATOM 0 HG21 ILE A 84 1.266 -0.486 -0.359 1.00 0.47 H new ATOM 0 HG22 ILE A 84 0.977 -1.483 -1.805 1.00 0.47 H new ATOM 0 HG23 ILE A 84 1.280 -2.261 -0.233 1.00 0.47 H new ATOM 0 HD11 ILE A 84 5.794 -0.978 0.916 1.00 0.62 H new ATOM 0 HD12 ILE A 84 5.705 -1.985 -0.548 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.514 -0.220 -0.669 1.00 0.62 H new ATOM 1332 N GLY A 85 2.033 -3.056 -3.809 1.00 0.26 N ATOM 1333 CA GLY A 85 1.024 -3.742 -4.579 1.00 0.29 C ATOM 1334 C GLY A 85 1.301 -5.230 -4.660 1.00 0.29 C ATOM 1335 O GLY A 85 0.477 -6.038 -4.244 1.00 0.33 O ATOM 0 H GLY A 85 2.514 -2.306 -4.305 1.00 0.26 H new ATOM 0 HA2 GLY A 85 0.046 -3.577 -4.127 1.00 0.29 H new ATOM 0 HA3 GLY A 85 0.985 -3.323 -5.585 1.00 0.29 H new ATOM 1339 N GLY A 86 2.495 -5.591 -5.126 1.00 0.28 N ATOM 1340 CA GLY A 86 2.827 -6.995 -5.311 1.00 0.31 C ATOM 1341 C GLY A 86 2.983 -7.708 -3.986 1.00 0.29 C ATOM 1342 O GLY A 86 2.651 -8.888 -3.852 1.00 0.35 O ATOM 0 H GLY A 86 3.237 -4.938 -5.378 1.00 0.28 H new ATOM 0 HA2 GLY A 86 2.046 -7.480 -5.897 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.752 -7.079 -5.881 1.00 0.31 H new ATOM 1346 N LEU A 87 3.470 -6.967 -3.009 1.00 0.25 N ATOM 1347 CA LEU A 87 3.642 -7.465 -1.656 1.00 0.25 C ATOM 1348 C LEU A 87 2.300 -7.849 -1.068 1.00 0.26 C ATOM 1349 O LEU A 87 2.061 -9.002 -0.704 1.00 0.29 O ATOM 1350 CB LEU A 87 4.252 -6.374 -0.786 1.00 0.25 C ATOM 1351 CG LEU A 87 5.758 -6.170 -0.887 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.121 -4.825 -0.295 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.502 -7.268 -0.144 1.00 0.35 C ATOM 0 H LEU A 87 3.759 -5.997 -3.132 1.00 0.25 H new ATOM 0 HA LEU A 87 4.295 -8.337 -1.686 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.765 -5.431 -1.034 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.009 -6.594 0.253 1.00 0.25 H new ATOM 0 HG LEU A 87 6.046 -6.206 -1.938 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.198 -4.675 -0.365 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.608 -4.035 -0.844 1.00 0.26 H new ATOM 0 HD13 LEU A 87 5.818 -4.794 0.752 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.576 -7.102 -0.230 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.215 -7.254 0.908 1.00 0.35 H new ATOM 0 HD23 LEU A 87 6.249 -8.236 -0.577 1.00 0.35 H new ATOM 1365 N ALA A 88 1.420 -6.862 -0.998 1.00 0.25 N ATOM 1366 CA ALA A 88 0.115 -7.037 -0.401 1.00 0.27 C ATOM 1367 C ALA A 88 -0.672 -8.099 -1.120 1.00 0.30 C ATOM 1368 O ALA A 88 -1.393 -8.871 -0.500 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.667 -5.745 -0.437 1.00 0.27 C ATOM 0 H ALA A 88 1.594 -5.922 -1.354 1.00 0.25 H new ATOM 0 HA ALA A 88 0.271 -7.343 0.633 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.646 -5.899 0.017 1.00 0.27 H new ATOM 0 HB2 ALA A 88 -0.127 -4.977 0.117 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.793 -5.425 -1.471 1.00 0.27 H new ATOM 1375 N MET A 89 -0.539 -8.122 -2.435 1.00 0.29 N ATOM 1376 CA MET A 89 -1.292 -9.047 -3.253 1.00 0.33 C ATOM 1377 C MET A 89 -0.962 -10.487 -2.902 1.00 0.34 C ATOM 1378 O MET A 89 -1.835 -11.349 -2.937 1.00 0.39 O ATOM 1379 CB MET A 89 -1.044 -8.784 -4.734 1.00 0.35 C ATOM 1380 CG MET A 89 -1.758 -7.543 -5.236 1.00 0.42 C ATOM 1381 SD MET A 89 -1.824 -7.454 -7.037 1.00 1.03 S ATOM 1382 CE MET A 89 -0.082 -7.411 -7.448 1.00 1.89 C ATOM 0 H MET A 89 0.086 -7.508 -2.957 1.00 0.29 H new ATOM 0 HA MET A 89 -2.350 -8.887 -3.048 1.00 0.33 H new ATOM 0 HB2 MET A 89 0.027 -8.676 -4.905 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.374 -9.647 -5.312 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.773 -7.528 -4.839 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.252 -6.658 -4.851 1.00 0.42 H new ATOM 0 HE1 MET A 89 0.035 -7.284 -8.524 1.00 1.89 H new ATOM 0 HE2 MET A 89 0.393 -6.578 -6.930 1.00 1.89 H new ATOM 0 HE3 MET A 89 0.388 -8.345 -7.140 1.00 1.89 H new ATOM 1392 N ALA A 90 0.285 -10.733 -2.524 1.00 0.34 N ATOM 1393 CA ALA A 90 0.702 -12.065 -2.117 1.00 0.40 C ATOM 1394 C ALA A 90 0.010 -12.465 -0.816 1.00 0.42 C ATOM 1395 O ALA A 90 -0.430 -13.602 -0.656 1.00 0.49 O ATOM 1396 CB ALA A 90 2.214 -12.118 -1.960 1.00 0.46 C ATOM 0 H ALA A 90 1.022 -10.029 -2.491 1.00 0.34 H new ATOM 0 HA ALA A 90 0.411 -12.775 -2.891 1.00 0.40 H new ATOM 0 HB1 ALA A 90 2.513 -13.121 -1.655 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.687 -11.871 -2.910 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.526 -11.400 -1.202 1.00 0.46 H new ATOM 1402 N CYS A 91 -0.103 -11.511 0.100 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.764 -11.748 1.377 1.00 0.47 C ATOM 1404 C CYS A 91 -2.274 -11.877 1.172 1.00 0.45 C ATOM 1405 O CYS A 91 -2.922 -12.721 1.788 1.00 0.51 O ATOM 1406 CB CYS A 91 -0.443 -10.618 2.363 1.00 0.55 C ATOM 1407 SG CYS A 91 -1.052 -10.894 4.041 1.00 1.76 S ATOM 0 H CYS A 91 0.256 -10.564 -0.018 1.00 0.41 H new ATOM 0 HA CYS A 91 -0.392 -12.682 1.798 1.00 0.47 H new ATOM 0 HB2 CYS A 91 0.638 -10.481 2.400 1.00 0.55 H new ATOM 0 HB3 CYS A 91 -0.869 -9.689 1.983 1.00 0.55 H new ATOM 0 HG CYS A 91 -2.192 -11.518 3.992 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.826 -11.043 0.288 1.00 0.41 N ATOM 1414 CA HIS A 92 -4.235 -11.143 -0.081 1.00 0.46 C ATOM 1415 C HIS A 92 -4.518 -12.529 -0.630 1.00 0.45 C ATOM 1416 O HIS A 92 -5.412 -13.220 -0.162 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.626 -10.102 -1.141 1.00 0.54 C ATOM 1418 CG HIS A 92 -4.810 -8.704 -0.625 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -4.057 -7.589 -0.796 1.00 2.13 N flip ATOM 1420 CD2 HIS A 92 -5.893 -8.314 0.136 1.00 1.96 C flip ATOM 1421 CE1 HIS A 92 -4.695 -6.561 -0.149 1.00 2.74 C flip ATOM 1422 NE2 HIS A 92 -5.798 -7.022 0.406 1.00 2.62 N flip ATOM 0 H HIS A 92 -2.319 -10.294 -0.183 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.824 -10.955 0.817 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -3.859 -10.089 -1.915 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -5.553 -10.422 -1.617 1.00 0.54 H new ATOM 0 HD1 HIS A 92 -3.179 -7.526 -1.311 1.00 2.13 H new ATOM 0 HD2 HIS A 92 -6.693 -8.962 0.461 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -4.349 -5.539 -0.102 1.00 2.74 H new ATOM 1431 N ASP A 93 -3.722 -12.921 -1.614 1.00 0.45 N ATOM 1432 CA ASP A 93 -3.851 -14.221 -2.262 1.00 0.52 C ATOM 1433 C ASP A 93 -3.748 -15.345 -1.239 1.00 0.56 C ATOM 1434 O ASP A 93 -4.486 -16.328 -1.302 1.00 0.65 O ATOM 1435 CB ASP A 93 -2.751 -14.361 -3.310 1.00 0.54 C ATOM 1436 CG ASP A 93 -2.884 -15.605 -4.162 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -3.546 -15.536 -5.220 1.00 1.48 O ATOM 1438 OD2 ASP A 93 -2.310 -16.650 -3.797 1.00 1.75 O ATOM 0 H ASP A 93 -2.966 -12.346 -1.987 1.00 0.45 H new ATOM 0 HA ASP A 93 -4.828 -14.290 -2.740 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -2.763 -13.484 -3.957 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -1.783 -14.375 -2.809 1.00 0.54 H new ATOM 1443 N SER A 94 -2.844 -15.174 -0.282 1.00 0.54 N ATOM 1444 CA SER A 94 -2.672 -16.133 0.795 1.00 0.60 C ATOM 1445 C SER A 94 -3.962 -16.272 1.585 1.00 0.63 C ATOM 1446 O SER A 94 -4.455 -17.374 1.796 1.00 0.70 O ATOM 1447 CB SER A 94 -1.547 -15.688 1.726 1.00 0.65 C ATOM 1448 OG SER A 94 -0.303 -15.634 1.044 1.00 1.27 O ATOM 0 H SER A 94 -2.215 -14.372 -0.233 1.00 0.54 H new ATOM 0 HA SER A 94 -2.413 -17.098 0.359 1.00 0.60 H new ATOM 0 HB2 SER A 94 -1.781 -14.707 2.139 1.00 0.65 H new ATOM 0 HB3 SER A 94 -1.474 -16.378 2.567 1.00 0.65 H new ATOM 0 HG SER A 94 -0.245 -14.798 0.536 1.00 1.27 H new ATOM 1454 N PHE A 95 -4.516 -15.135 1.988 1.00 0.60 N ATOM 1455 CA PHE A 95 -5.740 -15.103 2.775 1.00 0.66 C ATOM 1456 C PHE A 95 -6.908 -15.666 1.987 1.00 0.72 C ATOM 1457 O PHE A 95 -7.740 -16.387 2.522 1.00 0.84 O ATOM 1458 CB PHE A 95 -6.053 -13.674 3.200 1.00 0.64 C ATOM 1459 CG PHE A 95 -5.466 -13.295 4.531 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -4.160 -12.847 4.630 1.00 1.30 C ATOM 1461 CD2 PHE A 95 -6.229 -13.387 5.686 1.00 1.80 C ATOM 1462 CE1 PHE A 95 -3.623 -12.497 5.855 1.00 1.76 C ATOM 1463 CE2 PHE A 95 -5.698 -13.038 6.913 1.00 2.35 C ATOM 1464 CZ PHE A 95 -4.393 -12.592 6.997 1.00 2.08 C ATOM 0 H PHE A 95 -4.131 -14.214 1.779 1.00 0.60 H new ATOM 0 HA PHE A 95 -5.588 -15.721 3.660 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -5.679 -12.988 2.440 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -7.135 -13.545 3.240 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -3.553 -12.770 3.740 1.00 1.30 H new ATOM 0 HD2 PHE A 95 -7.249 -13.735 5.625 1.00 1.80 H new ATOM 0 HE1 PHE A 95 -2.602 -12.150 5.918 1.00 1.76 H new ATOM 0 HE2 PHE A 95 -6.302 -13.114 7.805 1.00 2.35 H new ATOM 0 HZ PHE A 95 -3.976 -12.318 7.955 1.00 2.08 H new ATOM 1737 N PRO B 7 6.224 -8.907 11.112 1.00 0.70 N ATOM 1738 CA PRO B 7 6.035 -7.859 10.114 1.00 0.54 C ATOM 1739 C PRO B 7 6.628 -6.538 10.575 1.00 0.45 C ATOM 1740 O PRO B 7 6.567 -6.192 11.758 1.00 0.57 O ATOM 1741 CB PRO B 7 4.519 -7.749 10.037 1.00 0.62 C ATOM 1742 CG PRO B 7 4.102 -8.002 11.435 1.00 0.75 C ATOM 1743 CD PRO B 7 4.994 -9.122 11.905 1.00 0.82 C ATOM 0 HA PRO B 7 6.518 -8.086 9.164 1.00 0.54 H new ATOM 0 HB2 PRO B 7 4.202 -6.765 9.692 1.00 0.62 H new ATOM 0 HB3 PRO B 7 4.094 -8.480 9.349 1.00 0.62 H new ATOM 0 HG2 PRO B 7 4.226 -7.112 12.052 1.00 0.75 H new ATOM 0 HG3 PRO B 7 3.051 -8.284 11.489 1.00 0.75 H new ATOM 0 HD2 PRO B 7 5.187 -9.065 12.976 1.00 0.82 H new ATOM 0 HD3 PRO B 7 4.553 -10.100 11.712 1.00 0.82 H new ATOM 1751 N THR B 8 7.214 -5.808 9.654 1.00 0.34 N ATOM 1752 CA THR B 8 7.708 -4.489 9.967 1.00 0.27 C ATOM 1753 C THR B 8 6.651 -3.451 9.634 1.00 0.28 C ATOM 1754 O THR B 8 5.510 -3.805 9.339 1.00 0.34 O ATOM 1755 CB THR B 8 8.987 -4.177 9.192 1.00 0.29 C ATOM 1756 OG1 THR B 8 8.666 -3.981 7.811 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.985 -5.309 9.336 1.00 0.33 C ATOM 0 H THR B 8 7.359 -6.103 8.689 1.00 0.34 H new ATOM 0 HA THR B 8 7.935 -4.459 11.033 1.00 0.27 H new ATOM 0 HB THR B 8 9.436 -3.270 9.596 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.713 -4.839 7.339 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.890 -5.070 8.777 1.00 0.33 H new ATOM 0 HG22 THR B 8 10.233 -5.443 10.389 1.00 0.33 H new ATOM 0 HG23 THR B 8 9.550 -6.229 8.945 1.00 0.33 H new ATOM 1765 N GLU B 9 7.037 -2.186 9.648 1.00 0.28 N ATOM 1766 CA GLU B 9 6.114 -1.085 9.412 1.00 0.33 C ATOM 1767 C GLU B 9 5.396 -1.221 8.058 1.00 0.36 C ATOM 1768 O GLU B 9 4.227 -0.855 7.924 1.00 0.52 O ATOM 1769 CB GLU B 9 6.880 0.231 9.505 1.00 0.40 C ATOM 1770 CG GLU B 9 6.014 1.469 9.409 1.00 0.56 C ATOM 1771 CD GLU B 9 6.679 2.688 10.016 1.00 1.73 C ATOM 1772 OE1 GLU B 9 7.850 2.968 9.676 1.00 2.47 O ATOM 1773 OE2 GLU B 9 6.038 3.371 10.845 1.00 2.48 O ATOM 0 H GLU B 9 7.998 -1.892 9.823 1.00 0.28 H new ATOM 0 HA GLU B 9 5.336 -1.106 10.175 1.00 0.33 H new ATOM 0 HB2 GLU B 9 7.423 0.255 10.450 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.624 0.261 8.709 1.00 0.40 H new ATOM 0 HG2 GLU B 9 5.784 1.668 8.362 1.00 0.56 H new ATOM 0 HG3 GLU B 9 5.066 1.286 9.915 1.00 0.56 H new ATOM 1780 N THR B 10 6.073 -1.795 7.075 1.00 0.26 N ATOM 1781 CA THR B 10 5.483 -1.968 5.753 1.00 0.27 C ATOM 1782 C THR B 10 4.639 -3.229 5.701 1.00 0.27 C ATOM 1783 O THR B 10 3.539 -3.219 5.160 1.00 0.31 O ATOM 1784 CB THR B 10 6.546 -1.972 4.626 1.00 0.27 C ATOM 1785 OG1 THR B 10 6.086 -2.720 3.496 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.865 -2.537 5.120 1.00 0.26 C ATOM 0 H THR B 10 7.026 -2.148 7.165 1.00 0.26 H new ATOM 0 HA THR B 10 4.838 -1.107 5.578 1.00 0.27 H new ATOM 0 HB THR B 10 6.706 -0.938 4.321 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.694 -2.578 2.741 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.592 -2.527 4.308 1.00 0.26 H new ATOM 0 HG22 THR B 10 8.235 -1.929 5.945 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.717 -3.561 5.462 1.00 0.26 H new ATOM 1794 N GLU B 11 5.122 -4.300 6.305 1.00 0.24 N ATOM 1795 CA GLU B 11 4.366 -5.541 6.333 1.00 0.27 C ATOM 1796 C GLU B 11 3.064 -5.379 7.105 1.00 0.30 C ATOM 1797 O GLU B 11 2.014 -5.857 6.684 1.00 0.32 O ATOM 1798 CB GLU B 11 5.197 -6.640 6.929 1.00 0.29 C ATOM 1799 CG GLU B 11 6.205 -7.175 5.950 1.00 0.41 C ATOM 1800 CD GLU B 11 5.603 -8.189 5.000 1.00 1.11 C ATOM 1801 OE1 GLU B 11 5.425 -9.356 5.407 1.00 1.85 O ATOM 1802 OE2 GLU B 11 5.298 -7.827 3.850 1.00 1.71 O ATOM 0 H GLU B 11 6.025 -4.337 6.778 1.00 0.24 H new ATOM 0 HA GLU B 11 4.113 -5.806 5.306 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.713 -6.266 7.813 1.00 0.29 H new ATOM 0 HB3 GLU B 11 4.546 -7.450 7.258 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.625 -6.349 5.377 1.00 0.41 H new ATOM 0 HG3 GLU B 11 7.028 -7.636 6.495 1.00 0.41 H new ATOM 1809 N ARG B 12 3.142 -4.682 8.230 1.00 0.35 N ATOM 1810 CA ARG B 12 1.964 -4.412 9.046 1.00 0.42 C ATOM 1811 C ARG B 12 1.008 -3.508 8.280 1.00 0.43 C ATOM 1812 O ARG B 12 -0.209 -3.661 8.364 1.00 0.47 O ATOM 1813 CB ARG B 12 2.364 -3.785 10.393 1.00 0.48 C ATOM 1814 CG ARG B 12 3.078 -2.446 10.276 1.00 0.49 C ATOM 1815 CD ARG B 12 2.115 -1.271 10.301 1.00 0.56 C ATOM 1816 NE ARG B 12 1.655 -0.998 11.659 1.00 1.08 N ATOM 1817 CZ ARG B 12 1.795 0.175 12.275 1.00 1.34 C ATOM 1818 NH1 ARG B 12 2.251 1.236 11.619 1.00 1.86 N ATOM 1819 NH2 ARG B 12 1.457 0.289 13.552 1.00 1.95 N ATOM 0 H ARG B 12 4.009 -4.292 8.600 1.00 0.35 H new ATOM 0 HA ARG B 12 1.457 -5.353 9.262 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.468 -3.653 10.999 1.00 0.48 H new ATOM 0 HB3 ARG B 12 3.010 -4.482 10.927 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.791 -2.345 11.094 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.651 -2.423 9.349 1.00 0.49 H new ATOM 0 HD2 ARG B 12 2.605 -0.386 9.895 1.00 0.56 H new ATOM 0 HD3 ARG B 12 1.260 -1.484 9.660 1.00 0.56 H new ATOM 0 HE ARG B 12 1.197 -1.753 12.169 1.00 1.08 H new ATOM 0 HH11 ARG B 12 2.498 1.158 10.633 1.00 1.86 H new ATOM 0 HH12 ARG B 12 2.354 2.129 12.102 1.00 1.86 H new ATOM 0 HH21 ARG B 12 1.092 -0.519 14.057 1.00 1.95 H new ATOM 0 HH22 ARG B 12 1.562 1.184 14.029 1.00 1.95 H new ATOM 1833 N CYS B 13 1.578 -2.575 7.520 1.00 0.42 N ATOM 1834 CA CYS B 13 0.808 -1.717 6.633 1.00 0.44 C ATOM 1835 C CYS B 13 0.032 -2.574 5.656 1.00 0.30 C ATOM 1836 O CYS B 13 -1.152 -2.355 5.398 1.00 0.29 O ATOM 1837 CB CYS B 13 1.760 -0.790 5.864 1.00 0.57 C ATOM 1838 SG CYS B 13 1.717 -1.008 4.072 1.00 2.16 S ATOM 0 H CYS B 13 2.582 -2.396 7.504 1.00 0.42 H new ATOM 0 HA CYS B 13 0.113 -1.115 7.218 1.00 0.44 H new ATOM 0 HB2 CYS B 13 1.511 0.245 6.099 1.00 0.57 H new ATOM 0 HB3 CYS B 13 2.778 -0.960 6.215 1.00 0.57 H new ATOM 0 HG CYS B 13 0.487 -1.172 3.684 1.00 2.16 H new ATOM 1844 N ILE B 14 0.714 -3.576 5.155 1.00 0.26 N ATOM 1845 CA ILE B 14 0.174 -4.442 4.148 1.00 0.24 C ATOM 1846 C ILE B 14 -0.950 -5.299 4.701 1.00 0.21 C ATOM 1847 O ILE B 14 -1.988 -5.465 4.060 1.00 0.23 O ATOM 1848 CB ILE B 14 1.290 -5.322 3.569 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.249 -4.465 2.750 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.718 -6.445 2.727 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.507 -5.194 2.370 1.00 0.27 C ATOM 0 H ILE B 14 1.665 -3.810 5.440 1.00 0.26 H new ATOM 0 HA ILE B 14 -0.245 -3.826 3.353 1.00 0.24 H new ATOM 0 HB ILE B 14 1.838 -5.777 4.394 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.744 -4.127 1.845 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.510 -3.574 3.321 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.531 -7.052 2.330 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.068 -7.067 3.343 1.00 0.27 H new ATOM 0 HG23 ILE B 14 0.143 -6.025 1.902 1.00 0.27 H new ATOM 0 HD11 ILE B 14 4.149 -4.533 1.789 1.00 0.27 H new ATOM 0 HD12 ILE B 14 4.032 -5.509 3.272 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.254 -6.070 1.773 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.768 -5.805 5.909 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.766 -6.654 6.519 1.00 0.28 C ATOM 1865 C GLU B 15 -2.928 -5.799 6.967 1.00 0.30 C ATOM 1866 O GLU B 15 -4.040 -6.286 7.151 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.190 -7.420 7.698 1.00 0.32 C ATOM 1868 CG GLU B 15 0.042 -8.235 7.352 1.00 0.32 C ATOM 1869 CD GLU B 15 0.537 -9.048 8.527 1.00 0.38 C ATOM 1870 OE1 GLU B 15 0.892 -8.453 9.564 1.00 1.25 O ATOM 1871 OE2 GLU B 15 0.568 -10.294 8.420 1.00 1.06 O ATOM 0 H GLU B 15 0.060 -5.641 6.482 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.105 -7.386 5.786 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -0.938 -6.715 8.490 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -1.955 -8.086 8.096 1.00 0.32 H new ATOM 0 HG2 GLU B 15 -0.187 -8.902 6.521 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.835 -7.567 7.015 1.00 0.32 H new ATOM 1878 N SER B 16 -2.654 -4.514 7.139 1.00 0.31 N ATOM 1879 CA SER B 16 -3.696 -3.550 7.389 1.00 0.37 C ATOM 1880 C SER B 16 -4.598 -3.460 6.170 1.00 0.28 C ATOM 1881 O SER B 16 -5.817 -3.417 6.286 1.00 0.28 O ATOM 1882 CB SER B 16 -3.102 -2.176 7.719 1.00 0.54 C ATOM 1883 OG SER B 16 -2.356 -2.208 8.925 1.00 0.97 O ATOM 0 H SER B 16 -1.713 -4.122 7.108 1.00 0.31 H new ATOM 0 HA SER B 16 -4.281 -3.875 8.250 1.00 0.37 H new ATOM 0 HB2 SER B 16 -2.459 -1.850 6.901 1.00 0.54 H new ATOM 0 HB3 SER B 16 -3.904 -1.443 7.805 1.00 0.54 H new ATOM 0 HG SER B 16 -1.679 -2.915 8.872 1.00 0.97 H new ATOM 1889 N LEU B 17 -3.985 -3.469 4.998 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.723 -3.436 3.748 1.00 0.28 C ATOM 1891 C LEU B 17 -5.477 -4.732 3.546 1.00 0.27 C ATOM 1892 O LEU B 17 -6.592 -4.727 3.048 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.775 -3.198 2.589 1.00 0.29 C ATOM 1894 CG LEU B 17 -2.899 -1.968 2.770 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.845 -1.869 1.678 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.771 -0.723 2.804 1.00 0.46 C ATOM 0 H LEU B 17 -2.972 -3.499 4.887 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.442 -2.618 3.790 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.138 -4.074 2.464 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.354 -3.091 1.672 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.368 -2.056 3.718 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -1.237 -0.979 1.839 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.208 -2.753 1.706 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.333 -1.804 0.706 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -3.142 0.158 2.934 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -4.323 -0.640 1.868 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -4.473 -0.793 3.635 1.00 0.46 H new ATOM 1908 N ILE B 18 -4.859 -5.848 3.919 1.00 0.27 N ATOM 1909 CA ILE B 18 -5.562 -7.123 3.915 1.00 0.30 C ATOM 1910 C ILE B 18 -6.773 -7.031 4.830 1.00 0.28 C ATOM 1911 O ILE B 18 -7.875 -7.410 4.450 1.00 0.30 O ATOM 1912 CB ILE B 18 -4.664 -8.317 4.347 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -3.865 -8.863 3.158 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.506 -9.435 4.956 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -2.867 -7.890 2.573 1.00 1.37 C ATOM 0 H ILE B 18 -3.887 -5.895 4.224 1.00 0.27 H new ATOM 0 HA ILE B 18 -5.869 -7.319 2.888 1.00 0.30 H new ATOM 0 HB ILE B 18 -3.966 -7.948 5.099 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -3.335 -9.761 3.475 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -4.562 -9.163 2.376 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -4.857 -10.260 5.251 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.034 -9.057 5.832 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.229 -9.787 4.221 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -2.348 -8.360 1.738 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -3.389 -7.000 2.221 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -2.143 -7.607 3.338 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.555 -6.479 6.015 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.602 -6.350 7.009 1.00 0.25 C ATOM 1929 C ALA B 19 -8.754 -5.491 6.500 1.00 0.23 C ATOM 1930 O ALA B 19 -9.877 -5.978 6.388 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.032 -5.777 8.295 1.00 0.28 C ATOM 0 H ALA B 19 -5.651 -6.111 6.310 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.001 -7.344 7.211 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -7.826 -5.684 9.035 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.256 -6.441 8.677 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.604 -4.794 8.097 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.475 -4.229 6.163 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.530 -3.314 5.731 1.00 0.22 C ATOM 1939 C VAL B 20 -10.188 -3.823 4.469 1.00 0.23 C ATOM 1940 O VAL B 20 -11.409 -3.789 4.343 1.00 0.27 O ATOM 1941 CB VAL B 20 -9.031 -1.862 5.513 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -8.065 -1.487 6.592 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -8.391 -1.656 4.147 1.00 0.87 C ATOM 0 H VAL B 20 -7.539 -3.823 6.181 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.256 -3.283 6.543 1.00 0.22 H new ATOM 0 HB VAL B 20 -9.907 -1.214 5.555 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.719 -0.466 6.432 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -8.558 -1.555 7.562 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.213 -2.166 6.570 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -8.061 -0.621 4.052 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -7.534 -2.321 4.043 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -9.119 -1.878 3.367 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.384 -4.327 3.548 1.00 0.22 N ATOM 1954 CA PHE B 21 -9.936 -4.847 2.306 1.00 0.25 C ATOM 1955 C PHE B 21 -10.882 -6.003 2.594 1.00 0.29 C ATOM 1956 O PHE B 21 -11.997 -6.040 2.099 1.00 0.35 O ATOM 1957 CB PHE B 21 -8.836 -5.301 1.356 1.00 0.26 C ATOM 1958 CG PHE B 21 -9.361 -5.861 0.069 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -9.891 -5.025 -0.897 1.00 1.85 C ATOM 1960 CD2 PHE B 21 -9.341 -7.227 -0.165 1.00 1.59 C ATOM 1961 CE1 PHE B 21 -10.390 -5.539 -2.075 1.00 2.48 C ATOM 1962 CE2 PHE B 21 -9.839 -7.747 -1.340 1.00 2.17 C ATOM 1963 CZ PHE B 21 -10.364 -6.902 -2.296 1.00 2.40 C ATOM 0 H PHE B 21 -8.369 -4.388 3.631 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.488 -4.040 1.824 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.182 -4.457 1.137 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.226 -6.056 1.851 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -9.914 -3.959 -0.727 1.00 1.85 H new ATOM 0 HD2 PHE B 21 -8.931 -7.891 0.582 1.00 1.59 H new ATOM 0 HE1 PHE B 21 -10.800 -4.877 -2.823 1.00 2.48 H new ATOM 0 HE2 PHE B 21 -9.818 -8.813 -1.512 1.00 2.17 H new ATOM 0 HZ PHE B 21 -10.755 -7.307 -3.218 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.439 -6.918 3.435 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.195 -8.120 3.733 1.00 0.37 C ATOM 1975 C GLN B 22 -12.456 -7.799 4.528 1.00 0.36 C ATOM 1976 O GLN B 22 -13.478 -8.468 4.376 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.286 -9.104 4.485 1.00 0.47 C ATOM 1978 CG GLN B 22 -10.953 -10.393 4.936 1.00 1.11 C ATOM 1979 CD GLN B 22 -11.631 -10.285 6.295 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -11.090 -9.450 7.171 1.00 2.68 O flip ATOM 1981 NE2 GLN B 22 -12.625 -10.959 6.557 1.00 2.65 N flip ATOM 0 H GLN B 22 -9.549 -6.850 3.929 1.00 0.30 H new ATOM 0 HA GLN B 22 -11.525 -8.581 2.802 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -9.443 -9.357 3.842 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -9.879 -8.599 5.361 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -11.693 -10.689 4.192 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -10.205 -11.185 4.974 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -13.012 -11.591 5.856 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -13.063 -10.887 7.475 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.397 -6.770 5.359 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.534 -6.433 6.198 1.00 0.39 C ATOM 1992 C LYS B 23 -14.544 -5.562 5.451 1.00 0.41 C ATOM 1993 O LYS B 23 -15.748 -5.663 5.690 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.077 -5.765 7.505 1.00 0.41 C ATOM 1995 CG LYS B 23 -12.388 -4.432 7.335 1.00 0.42 C ATOM 1996 CD LYS B 23 -11.427 -4.181 8.483 1.00 0.63 C ATOM 1997 CE LYS B 23 -11.375 -2.719 8.854 1.00 0.64 C ATOM 1998 NZ LYS B 23 -10.383 -2.442 9.927 1.00 0.91 N ATOM 0 H LYS B 23 -11.586 -6.162 5.469 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.039 -7.363 6.458 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -13.946 -5.628 8.148 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -12.400 -6.443 8.024 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -11.847 -4.414 6.389 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.130 -3.635 7.293 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -11.734 -4.766 9.350 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -10.430 -4.522 8.205 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.125 -2.131 7.971 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -12.362 -2.395 9.183 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -10.636 -1.559 10.414 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -10.382 -3.226 10.610 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -9.436 -2.347 9.508 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.067 -4.712 4.543 1.00 0.36 N ATOM 2013 CA TYR B 24 -14.968 -3.846 3.790 1.00 0.39 C ATOM 2014 C TYR B 24 -15.493 -4.551 2.540 1.00 0.34 C ATOM 2015 O TYR B 24 -16.701 -4.656 2.337 1.00 0.40 O ATOM 2016 CB TYR B 24 -14.286 -2.512 3.444 1.00 0.46 C ATOM 2017 CG TYR B 24 -13.787 -1.769 4.669 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -14.507 -1.791 5.857 1.00 1.52 C ATOM 2019 CD2 TYR B 24 -12.597 -1.055 4.642 1.00 1.66 C ATOM 2020 CE1 TYR B 24 -14.064 -1.121 6.976 1.00 1.83 C ATOM 2021 CE2 TYR B 24 -12.146 -0.383 5.763 1.00 1.99 C ATOM 2022 CZ TYR B 24 -12.886 -0.419 6.925 1.00 1.71 C ATOM 2023 OH TYR B 24 -12.446 0.258 8.041 1.00 2.15 O ATOM 0 H TYR B 24 -13.079 -4.606 4.314 1.00 0.36 H new ATOM 0 HA TYR B 24 -15.828 -3.622 4.421 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.448 -2.701 2.774 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -14.990 -1.879 2.903 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -15.433 -2.345 5.904 1.00 1.52 H new ATOM 0 HD2 TYR B 24 -12.015 -1.024 3.733 1.00 1.66 H new ATOM 0 HE1 TYR B 24 -14.641 -1.148 7.889 1.00 1.83 H new ATOM 0 HE2 TYR B 24 -11.218 0.168 5.728 1.00 1.99 H new ATOM 0 HH TYR B 24 -11.504 0.503 7.925 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.577 -5.053 1.726 1.00 0.29 N ATOM 2034 CA ALA B 25 -14.918 -5.807 0.524 1.00 0.34 C ATOM 2035 C ALA B 25 -15.573 -7.141 0.873 1.00 0.47 C ATOM 2036 O ALA B 25 -16.165 -7.805 0.016 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.666 -6.040 -0.303 1.00 0.37 C ATOM 0 H ALA B 25 -13.574 -4.950 1.878 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.635 -5.225 -0.055 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -13.922 -6.603 -1.200 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -13.234 -5.081 -0.588 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -12.941 -6.604 0.285 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.444 -7.533 2.138 1.00 0.50 N ATOM 2044 CA GLY B 26 -15.985 -8.795 2.607 1.00 0.64 C ATOM 2045 C GLY B 26 -17.490 -8.906 2.457 1.00 0.76 C ATOM 2046 O GLY B 26 -18.040 -10.005 2.548 1.00 0.96 O ATOM 0 H GLY B 26 -14.966 -6.988 2.856 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -15.513 -9.609 2.057 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -15.723 -8.925 3.657 1.00 0.64 H new ATOM 2147 N THR B 33 -14.567 -8.305 -3.031 1.00 0.66 N ATOM 2148 CA THR B 33 -14.243 -7.156 -3.855 1.00 0.45 C ATOM 2149 C THR B 33 -15.103 -5.984 -3.401 1.00 0.37 C ATOM 2150 O THR B 33 -16.299 -6.147 -3.156 1.00 0.44 O ATOM 2151 CB THR B 33 -14.499 -7.495 -5.342 1.00 0.45 C ATOM 2152 OG1 THR B 33 -14.032 -8.823 -5.611 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.784 -6.537 -6.271 1.00 0.43 C ATOM 0 HA THR B 33 -13.191 -6.889 -3.750 1.00 0.45 H new ATOM 0 HB THR B 33 -15.571 -7.412 -5.520 1.00 0.45 H new ATOM 0 HG1 THR B 33 -14.077 -9.358 -4.791 1.00 0.66 H new ATOM 0 HG21 THR B 33 -13.991 -6.811 -7.306 1.00 0.43 H new ATOM 0 HG22 THR B 33 -14.135 -5.522 -6.087 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.710 -6.588 -6.090 1.00 0.43 H new ATOM 2161 N LEU B 34 -14.494 -4.817 -3.292 1.00 0.32 N ATOM 2162 CA LEU B 34 -15.138 -3.665 -2.677 1.00 0.30 C ATOM 2163 C LEU B 34 -15.998 -2.960 -3.694 1.00 0.31 C ATOM 2164 O LEU B 34 -15.512 -2.218 -4.540 1.00 0.34 O ATOM 2165 CB LEU B 34 -14.051 -2.731 -2.147 1.00 0.29 C ATOM 2166 CG LEU B 34 -14.047 -2.519 -0.634 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.706 -1.981 -0.165 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -15.156 -1.568 -0.234 1.00 0.28 C ATOM 0 H LEU B 34 -13.546 -4.639 -3.624 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.778 -3.981 -1.853 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -13.080 -3.127 -2.444 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -14.161 -1.761 -2.632 1.00 0.29 H new ATOM 0 HG LEU B 34 -14.216 -3.484 -0.156 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.729 -1.839 0.915 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.919 -2.691 -0.421 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -12.506 -1.027 -0.653 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -15.141 -1.426 0.847 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -15.008 -0.608 -0.728 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -16.118 -1.985 -0.532 1.00 0.28 H new ATOM 2180 N SER B 35 -17.289 -3.195 -3.584 1.00 0.31 N ATOM 2181 CA SER B 35 -18.237 -2.698 -4.556 1.00 0.33 C ATOM 2182 C SER B 35 -18.339 -1.191 -4.459 1.00 0.32 C ATOM 2183 O SER B 35 -17.966 -0.612 -3.443 1.00 0.30 O ATOM 2184 CB SER B 35 -19.601 -3.361 -4.363 1.00 0.37 C ATOM 2185 OG SER B 35 -20.509 -2.983 -5.384 1.00 0.40 O ATOM 0 H SER B 35 -17.707 -3.732 -2.824 1.00 0.31 H new ATOM 0 HA SER B 35 -17.885 -2.951 -5.556 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.484 -4.445 -4.361 1.00 0.37 H new ATOM 0 HB3 SER B 35 -20.008 -3.083 -3.391 1.00 0.37 H new ATOM 0 HG SER B 35 -21.371 -3.424 -5.235 1.00 0.40 H new ATOM 2191 N LYS B 36 -18.829 -0.567 -5.522 1.00 0.38 N ATOM 2192 CA LYS B 36 -18.886 0.882 -5.610 1.00 0.42 C ATOM 2193 C LYS B 36 -19.457 1.493 -4.341 1.00 0.36 C ATOM 2194 O LYS B 36 -18.784 2.265 -3.674 1.00 0.35 O ATOM 2195 CB LYS B 36 -19.721 1.316 -6.812 1.00 0.53 C ATOM 2196 CG LYS B 36 -19.793 2.824 -6.967 1.00 0.62 C ATOM 2197 CD LYS B 36 -20.580 3.222 -8.198 1.00 0.66 C ATOM 2198 CE LYS B 36 -20.543 4.726 -8.399 1.00 0.61 C ATOM 2199 NZ LYS B 36 -21.210 5.139 -9.661 1.00 0.65 N ATOM 0 H LYS B 36 -19.196 -1.050 -6.342 1.00 0.38 H new ATOM 0 HA LYS B 36 -17.865 1.242 -5.735 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -19.297 0.882 -7.718 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -20.730 0.918 -6.710 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -20.257 3.259 -6.082 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -18.784 3.232 -7.032 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -20.168 2.723 -9.075 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -21.613 2.889 -8.098 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -21.029 5.216 -7.556 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -19.507 5.064 -8.410 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -20.921 6.108 -9.906 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -20.935 4.492 -10.427 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -22.242 5.107 -9.535 1.00 0.65 H new ATOM 2213 N THR B 37 -20.673 1.109 -3.987 1.00 0.37 N ATOM 2214 CA THR B 37 -21.346 1.691 -2.837 1.00 0.38 C ATOM 2215 C THR B 37 -20.610 1.372 -1.542 1.00 0.36 C ATOM 2216 O THR B 37 -20.576 2.187 -0.616 1.00 0.38 O ATOM 2217 CB THR B 37 -22.790 1.201 -2.726 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.483 1.447 -3.959 1.00 0.47 O ATOM 2219 CG2 THR B 37 -23.493 1.919 -1.585 1.00 0.49 C ATOM 0 H THR B 37 -21.214 0.398 -4.479 1.00 0.37 H new ATOM 0 HA THR B 37 -21.348 2.770 -2.990 1.00 0.38 H new ATOM 0 HB THR B 37 -22.789 0.130 -2.525 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.407 1.130 -3.884 1.00 0.47 H new ATOM 0 HG21 THR B 37 -24.521 1.565 -1.511 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.971 1.715 -0.650 1.00 0.49 H new ATOM 0 HG23 THR B 37 -23.491 2.992 -1.774 1.00 0.49 H new ATOM 2227 N GLU B 38 -20.006 0.196 -1.480 1.00 0.34 N ATOM 2228 CA GLU B 38 -19.228 -0.184 -0.317 1.00 0.33 C ATOM 2229 C GLU B 38 -18.025 0.724 -0.241 1.00 0.33 C ATOM 2230 O GLU B 38 -17.717 1.269 0.803 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.793 -1.638 -0.398 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.919 -2.562 -0.828 1.00 0.47 C ATOM 2233 CD GLU B 38 -19.467 -3.984 -1.069 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -18.272 -4.197 -1.338 1.00 1.96 O ATOM 2235 OE2 GLU B 38 -20.319 -4.890 -1.013 1.00 2.16 O ATOM 0 H GLU B 38 -20.040 -0.507 -2.218 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.838 -0.080 0.581 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -17.966 -1.727 -1.102 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -18.419 -1.956 0.575 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -20.694 -2.560 -0.062 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -20.371 -2.172 -1.740 1.00 0.47 H new ATOM 2242 N PHE B 39 -17.408 0.943 -1.386 1.00 0.29 N ATOM 2243 CA PHE B 39 -16.232 1.775 -1.479 1.00 0.31 C ATOM 2244 C PHE B 39 -16.594 3.211 -1.162 1.00 0.28 C ATOM 2245 O PHE B 39 -15.786 3.964 -0.649 1.00 0.27 O ATOM 2246 CB PHE B 39 -15.642 1.674 -2.882 1.00 0.53 C ATOM 2247 CG PHE B 39 -14.305 2.329 -3.019 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -13.226 1.877 -2.281 1.00 1.78 C ATOM 2249 CD2 PHE B 39 -14.127 3.391 -3.886 1.00 1.76 C ATOM 2250 CE1 PHE B 39 -11.990 2.475 -2.403 1.00 2.66 C ATOM 2251 CE2 PHE B 39 -12.893 3.992 -4.014 1.00 2.61 C ATOM 2252 CZ PHE B 39 -11.823 3.534 -3.271 1.00 2.87 C ATOM 0 H PHE B 39 -17.711 0.547 -2.276 1.00 0.29 H new ATOM 0 HA PHE B 39 -15.488 1.434 -0.759 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -15.551 0.622 -3.154 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -16.334 2.128 -3.591 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -13.353 1.047 -1.602 1.00 1.78 H new ATOM 0 HD2 PHE B 39 -14.962 3.753 -4.468 1.00 1.76 H new ATOM 0 HE1 PHE B 39 -11.155 2.115 -1.821 1.00 2.66 H new ATOM 0 HE2 PHE B 39 -12.763 4.820 -4.695 1.00 2.61 H new ATOM 0 HZ PHE B 39 -10.856 4.005 -3.369 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.824 3.576 -1.463 1.00 0.33 N ATOM 2263 CA LEU B 40 -18.314 4.906 -1.167 1.00 0.37 C ATOM 2264 C LEU B 40 -18.337 5.134 0.338 1.00 0.40 C ATOM 2265 O LEU B 40 -17.771 6.101 0.841 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.716 5.098 -1.748 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.851 4.869 -3.258 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -21.097 5.549 -3.801 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.606 5.327 -3.997 1.00 0.46 C ATOM 0 H LEU B 40 -18.505 2.966 -1.915 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.643 5.633 -1.624 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -20.397 4.419 -1.235 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -20.046 6.112 -1.523 1.00 0.43 H new ATOM 0 HG LEU B 40 -19.956 3.797 -3.426 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -21.170 5.372 -4.874 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -21.979 5.143 -3.305 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -21.037 6.621 -3.614 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.732 5.152 -5.065 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -18.448 6.391 -3.820 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -17.743 4.768 -3.637 1.00 0.46 H new ATOM 2281 N SER B 41 -18.972 4.223 1.057 1.00 0.42 N ATOM 2282 CA SER B 41 -19.083 4.345 2.501 1.00 0.52 C ATOM 2283 C SER B 41 -17.732 4.099 3.163 1.00 0.45 C ATOM 2284 O SER B 41 -17.350 4.799 4.098 1.00 0.47 O ATOM 2285 CB SER B 41 -20.125 3.361 3.038 1.00 0.67 C ATOM 2286 OG SER B 41 -20.306 3.518 4.436 1.00 1.40 O ATOM 0 H SER B 41 -19.417 3.393 0.666 1.00 0.42 H new ATOM 0 HA SER B 41 -19.405 5.359 2.739 1.00 0.52 H new ATOM 0 HB2 SER B 41 -21.074 3.517 2.526 1.00 0.67 H new ATOM 0 HB3 SER B 41 -19.810 2.340 2.822 1.00 0.67 H new ATOM 0 HG SER B 41 -20.978 2.879 4.753 1.00 1.40 H new ATOM 2292 N PHE B 42 -17.008 3.111 2.658 1.00 0.42 N ATOM 2293 CA PHE B 42 -15.712 2.747 3.199 1.00 0.46 C ATOM 2294 C PHE B 42 -14.679 3.815 2.900 1.00 0.29 C ATOM 2295 O PHE B 42 -14.065 4.311 3.818 1.00 0.42 O ATOM 2296 CB PHE B 42 -15.334 1.349 2.726 1.00 0.80 C ATOM 2297 CG PHE B 42 -16.239 0.344 3.390 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -16.494 0.448 4.752 1.00 2.77 C ATOM 2299 CD2 PHE B 42 -16.839 -0.681 2.684 1.00 2.69 C ATOM 2300 CE1 PHE B 42 -17.322 -0.447 5.391 1.00 3.80 C ATOM 2301 CE2 PHE B 42 -17.668 -1.583 3.321 1.00 3.73 C ATOM 2302 CZ PHE B 42 -17.908 -1.463 4.679 1.00 4.13 C ATOM 0 H PHE B 42 -17.303 2.542 1.864 1.00 0.42 H new ATOM 0 HA PHE B 42 -15.757 2.700 4.287 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -15.427 1.281 1.642 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.293 1.138 2.971 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -16.035 1.244 5.319 1.00 2.77 H new ATOM 0 HD2 PHE B 42 -16.658 -0.778 1.624 1.00 2.69 H new ATOM 0 HE1 PHE B 42 -17.510 -0.350 6.450 1.00 3.80 H new ATOM 0 HE2 PHE B 42 -18.129 -2.382 2.760 1.00 3.73 H new ATOM 0 HZ PHE B 42 -18.556 -2.169 5.178 1.00 4.13 H new ATOM 2312 N MET B 43 -14.548 4.264 1.664 1.00 0.26 N ATOM 2313 CA MET B 43 -13.573 5.315 1.381 1.00 0.29 C ATOM 2314 C MET B 43 -13.952 6.613 2.096 1.00 0.29 C ATOM 2315 O MET B 43 -13.119 7.482 2.310 1.00 0.37 O ATOM 2316 CB MET B 43 -13.406 5.569 -0.116 1.00 0.38 C ATOM 2317 CG MET B 43 -12.206 6.454 -0.425 1.00 0.62 C ATOM 2318 SD MET B 43 -11.866 6.642 -2.185 1.00 1.22 S ATOM 2319 CE MET B 43 -10.407 7.677 -2.112 1.00 2.25 C ATOM 0 H MET B 43 -15.083 3.934 0.861 1.00 0.26 H new ATOM 0 HA MET B 43 -12.614 4.963 1.761 1.00 0.29 H new ATOM 0 HB2 MET B 43 -13.294 4.616 -0.633 1.00 0.38 H new ATOM 0 HB3 MET B 43 -14.310 6.038 -0.505 1.00 0.38 H new ATOM 0 HG2 MET B 43 -12.373 7.440 0.009 1.00 0.62 H new ATOM 0 HG3 MET B 43 -11.325 6.036 0.062 1.00 0.62 H new ATOM 0 HE1 MET B 43 -9.738 7.422 -2.934 1.00 2.25 H new ATOM 0 HE2 MET B 43 -10.699 8.724 -2.194 1.00 2.25 H new ATOM 0 HE3 MET B 43 -9.894 7.516 -1.164 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.213 6.740 2.478 1.00 0.29 N ATOM 2330 CA ASN B 44 -15.660 7.904 3.233 1.00 0.33 C ATOM 2331 C ASN B 44 -15.545 7.667 4.742 1.00 0.32 C ATOM 2332 O ASN B 44 -15.757 8.573 5.544 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.091 8.250 2.829 1.00 0.42 C ATOM 2334 CG ASN B 44 -17.718 9.367 3.640 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -17.512 10.546 3.361 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -18.523 9.000 4.628 1.00 1.83 N ATOM 0 H ASN B 44 -15.943 6.056 2.280 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.014 8.749 2.997 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -17.100 8.532 1.776 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -17.709 7.357 2.925 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -18.998 9.708 5.189 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -18.667 8.010 4.827 1.00 1.83 H new ATOM 2343 N THR B 45 -15.216 6.446 5.130 1.00 0.27 N ATOM 2344 CA THR B 45 -14.960 6.143 6.538 1.00 0.29 C ATOM 2345 C THR B 45 -13.477 5.941 6.791 1.00 0.28 C ATOM 2346 O THR B 45 -12.849 6.673 7.558 1.00 0.34 O ATOM 2347 CB THR B 45 -15.719 4.896 7.026 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.716 3.878 6.021 1.00 0.34 O ATOM 2349 CG2 THR B 45 -17.145 5.237 7.397 1.00 0.34 C ATOM 0 H THR B 45 -15.119 5.650 4.499 1.00 0.27 H new ATOM 0 HA THR B 45 -15.322 7.005 7.099 1.00 0.29 H new ATOM 0 HB THR B 45 -15.206 4.525 7.913 1.00 0.30 H new ATOM 0 HG1 THR B 45 -16.491 3.996 5.433 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.657 4.337 7.738 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.146 5.980 8.195 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.661 5.640 6.526 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.928 4.945 6.122 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.549 4.561 6.305 1.00 0.25 C ATOM 2359 C GLU B 46 -10.615 5.508 5.576 1.00 0.25 C ATOM 2360 O GLU B 46 -9.472 5.700 5.985 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.313 3.086 5.918 1.00 0.29 C ATOM 2362 CG GLU B 46 -11.977 2.589 4.641 1.00 0.57 C ATOM 2363 CD GLU B 46 -11.170 2.880 3.399 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -10.239 2.108 3.105 1.00 1.70 O ATOM 2365 OE2 GLU B 46 -11.479 3.869 2.718 1.00 1.68 O ATOM 0 H GLU B 46 -13.430 4.381 5.436 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.318 4.642 7.367 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -10.239 2.929 5.824 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -11.656 2.461 6.743 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -12.138 1.514 4.718 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -12.959 3.053 4.545 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.106 6.137 4.528 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.310 7.144 3.847 1.00 0.26 C ATOM 2374 C LEU B 47 -10.986 8.492 3.895 1.00 0.28 C ATOM 2375 O LEU B 47 -10.735 9.361 3.063 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.023 6.732 2.418 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.150 5.491 2.299 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.077 5.025 0.860 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -7.763 5.767 2.861 1.00 0.28 C ATOM 0 H LEU B 47 -12.033 5.976 4.133 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.358 7.229 4.370 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -10.968 6.550 1.906 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.535 7.559 1.903 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.599 4.689 2.884 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.448 4.137 0.797 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.079 4.786 0.504 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -8.651 5.816 0.243 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.149 4.871 2.770 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.301 6.582 2.305 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -7.845 6.045 3.912 1.00 0.28 H new ATOM 2391 N ALA B 48 -11.860 8.647 4.875 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.484 9.921 5.168 1.00 0.37 C ATOM 2393 C ALA B 48 -11.460 11.049 5.238 1.00 0.39 C ATOM 2394 O ALA B 48 -11.737 12.164 4.820 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.240 9.811 6.473 1.00 0.41 C ATOM 0 H ALA B 48 -12.156 7.889 5.490 1.00 0.32 H new ATOM 0 HA ALA B 48 -13.173 10.164 4.359 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -13.713 10.766 6.701 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -14.005 9.039 6.387 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -12.548 9.548 7.273 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.274 10.743 5.749 1.00 0.38 N ATOM 2402 CA ALA B 49 -9.189 11.717 5.815 1.00 0.41 C ATOM 2403 C ALA B 49 -8.923 12.332 4.441 1.00 0.41 C ATOM 2404 O ALA B 49 -8.678 13.532 4.316 1.00 0.47 O ATOM 2405 CB ALA B 49 -7.934 11.050 6.352 1.00 0.44 C ATOM 0 H ALA B 49 -10.037 9.825 6.125 1.00 0.38 H new ATOM 0 HA ALA B 49 -9.482 12.521 6.490 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -7.126 11.780 6.400 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -8.129 10.658 7.350 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.645 10.232 5.691 1.00 0.44 H new ATOM 2411 N PHE B 50 -9.002 11.498 3.416 1.00 0.36 N ATOM 2412 CA PHE B 50 -8.804 11.925 2.041 1.00 0.37 C ATOM 2413 C PHE B 50 -10.111 12.461 1.462 1.00 0.38 C ATOM 2414 O PHE B 50 -10.159 13.547 0.885 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.332 10.735 1.208 1.00 0.35 C ATOM 2416 CG PHE B 50 -7.926 11.092 -0.196 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -6.645 11.543 -0.468 1.00 1.33 C ATOM 2418 CD2 PHE B 50 -8.826 10.974 -1.246 1.00 1.63 C ATOM 2419 CE1 PHE B 50 -6.267 11.869 -1.756 1.00 1.67 C ATOM 2420 CE2 PHE B 50 -8.456 11.300 -2.536 1.00 2.10 C ATOM 2421 CZ PHE B 50 -7.174 11.748 -2.792 1.00 1.80 C ATOM 0 H PHE B 50 -9.206 10.503 3.515 1.00 0.36 H new ATOM 0 HA PHE B 50 -8.055 12.716 2.017 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.487 10.265 1.711 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -9.130 9.994 1.167 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -5.932 11.641 0.338 1.00 1.33 H new ATOM 0 HD2 PHE B 50 -9.829 10.623 -1.052 1.00 1.63 H new ATOM 0 HE1 PHE B 50 -5.264 12.218 -1.953 1.00 1.67 H new ATOM 0 HE2 PHE B 50 -9.167 11.205 -3.343 1.00 2.10 H new ATOM 0 HZ PHE B 50 -6.881 12.003 -3.800 1.00 1.80 H new ATOM 2431 N THR B 51 -11.163 11.681 1.644 1.00 0.36 N ATOM 2432 CA THR B 51 -12.474 11.964 1.079 1.00 0.40 C ATOM 2433 C THR B 51 -13.054 13.292 1.579 1.00 0.45 C ATOM 2434 O THR B 51 -13.755 13.989 0.846 1.00 0.53 O ATOM 2435 CB THR B 51 -13.421 10.797 1.411 1.00 0.39 C ATOM 2436 OG1 THR B 51 -12.920 9.605 0.799 1.00 0.39 O ATOM 2437 CG2 THR B 51 -14.841 11.060 0.939 1.00 0.49 C ATOM 0 H THR B 51 -11.132 10.823 2.195 1.00 0.36 H new ATOM 0 HA THR B 51 -12.366 12.064 -0.001 1.00 0.40 H new ATOM 0 HB THR B 51 -13.456 10.686 2.495 1.00 0.39 H new ATOM 0 HG1 THR B 51 -13.023 8.852 1.417 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.473 10.210 1.195 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.226 11.957 1.424 1.00 0.49 H new ATOM 0 HG23 THR B 51 -14.845 11.202 -0.142 1.00 0.49 H new ATOM 2445 N LYS B 52 -12.748 13.651 2.816 1.00 0.47 N ATOM 2446 CA LYS B 52 -13.248 14.897 3.387 1.00 0.60 C ATOM 2447 C LYS B 52 -12.348 16.059 3.012 1.00 0.69 C ATOM 2448 O LYS B 52 -12.720 17.226 3.161 1.00 0.84 O ATOM 2449 CB LYS B 52 -13.343 14.785 4.903 1.00 0.70 C ATOM 2450 CG LYS B 52 -14.277 13.681 5.361 1.00 0.78 C ATOM 2451 CD LYS B 52 -15.705 13.941 4.919 1.00 1.07 C ATOM 2452 CE LYS B 52 -16.603 12.774 5.268 1.00 1.24 C ATOM 2453 NZ LYS B 52 -18.010 13.014 4.852 1.00 1.82 N ATOM 0 H LYS B 52 -12.159 13.102 3.443 1.00 0.47 H new ATOM 0 HA LYS B 52 -14.243 15.081 2.981 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -12.349 14.604 5.311 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -13.686 15.736 5.311 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -13.939 12.726 4.958 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -14.240 13.600 6.447 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -16.078 14.847 5.397 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -15.730 14.115 3.843 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -16.230 11.871 4.784 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -16.567 12.597 6.343 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -18.625 13.016 5.691 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -18.078 13.933 4.371 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -18.313 12.260 4.203 1.00 1.82 H new ATOM 2546 N GLY B 58 -18.393 12.790 -5.630 1.00 0.67 N ATOM 2547 CA GLY B 58 -18.093 12.248 -6.934 1.00 0.56 C ATOM 2548 C GLY B 58 -16.667 11.763 -7.047 1.00 0.49 C ATOM 2549 O GLY B 58 -16.313 11.099 -8.014 1.00 0.48 O ATOM 0 HA2 GLY B 58 -18.772 11.422 -7.145 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -18.275 13.011 -7.691 1.00 0.56 H new ATOM 2553 N VAL B 59 -15.839 12.087 -6.063 1.00 0.52 N ATOM 2554 CA VAL B 59 -14.441 11.685 -6.109 1.00 0.52 C ATOM 2555 C VAL B 59 -14.296 10.183 -5.978 1.00 0.49 C ATOM 2556 O VAL B 59 -13.554 9.565 -6.734 1.00 0.49 O ATOM 2557 CB VAL B 59 -13.583 12.379 -5.026 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -14.117 12.100 -3.628 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -12.136 11.928 -5.135 1.00 0.66 C ATOM 0 H VAL B 59 -16.106 12.619 -5.235 1.00 0.52 H new ATOM 0 HA VAL B 59 -14.072 12.003 -7.084 1.00 0.52 H new ATOM 0 HB VAL B 59 -13.637 13.454 -5.195 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -13.490 12.603 -2.892 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -15.139 12.471 -3.548 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -14.105 11.026 -3.442 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -11.542 12.423 -4.367 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -12.080 10.848 -4.997 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -11.747 12.188 -6.119 1.00 0.66 H new ATOM 2569 N LEU B 60 -15.021 9.592 -5.042 1.00 0.48 N ATOM 2570 CA LEU B 60 -14.946 8.155 -4.838 1.00 0.46 C ATOM 2571 C LEU B 60 -15.468 7.460 -6.078 1.00 0.43 C ATOM 2572 O LEU B 60 -15.106 6.326 -6.381 1.00 0.41 O ATOM 2573 CB LEU B 60 -15.766 7.722 -3.623 1.00 0.48 C ATOM 2574 CG LEU B 60 -15.685 8.649 -2.408 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.506 8.095 -1.254 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -14.245 8.851 -1.983 1.00 0.52 C ATOM 0 H LEU B 60 -15.662 10.080 -4.417 1.00 0.48 H new ATOM 0 HA LEU B 60 -13.907 7.880 -4.655 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -16.810 7.636 -3.923 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -15.438 6.727 -3.321 1.00 0.48 H new ATOM 0 HG LEU B 60 -16.099 9.617 -2.692 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -16.435 8.769 -0.400 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.548 8.005 -1.559 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -16.124 7.113 -0.974 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -14.210 9.513 -1.118 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -13.804 7.889 -1.721 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -13.683 9.297 -2.804 1.00 0.52 H new ATOM 2588 N ASP B 61 -16.310 8.184 -6.797 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.867 7.713 -8.052 1.00 0.46 C ATOM 2590 C ASP B 61 -15.766 7.644 -9.095 1.00 0.47 C ATOM 2591 O ASP B 61 -15.662 6.681 -9.858 1.00 0.51 O ATOM 2592 CB ASP B 61 -17.977 8.662 -8.515 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.785 8.118 -9.675 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -18.348 8.269 -10.834 1.00 1.19 O ATOM 2595 OD2 ASP B 61 -19.875 7.556 -9.438 1.00 1.22 O ATOM 0 H ASP B 61 -16.626 9.115 -6.526 1.00 0.46 H new ATOM 0 HA ASP B 61 -17.292 6.719 -7.914 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -18.646 8.863 -7.678 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -17.534 9.615 -8.805 1.00 0.47 H new ATOM 2600 N ARG B 62 -14.930 8.674 -9.086 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.784 8.761 -9.977 1.00 0.51 C ATOM 2602 C ARG B 62 -12.769 7.681 -9.638 1.00 0.50 C ATOM 2603 O ARG B 62 -12.271 6.985 -10.521 1.00 0.56 O ATOM 2604 CB ARG B 62 -13.119 10.131 -9.848 1.00 0.55 C ATOM 2605 CG ARG B 62 -14.072 11.298 -10.032 1.00 0.55 C ATOM 2606 CD ARG B 62 -13.377 12.621 -9.786 1.00 0.62 C ATOM 2607 NE ARG B 62 -12.227 12.807 -10.670 1.00 1.45 N ATOM 2608 CZ ARG B 62 -11.414 13.862 -10.633 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -11.622 14.840 -9.759 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -10.389 13.936 -11.472 1.00 3.02 N ATOM 0 H ARG B 62 -15.029 9.473 -8.459 1.00 0.47 H new ATOM 0 HA ARG B 62 -14.134 8.621 -11.000 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.653 10.207 -8.865 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -12.320 10.207 -10.586 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -14.479 11.281 -11.043 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -14.914 11.194 -9.347 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -14.085 13.436 -9.936 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -13.048 12.671 -8.748 1.00 0.62 H new ATOM 0 HE ARG B 62 -12.035 12.081 -11.360 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -12.408 14.786 -9.111 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -10.996 15.645 -9.736 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -10.225 13.186 -12.144 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -9.765 14.743 -11.445 1.00 3.02 H new ATOM 2624 N MET B 63 -12.473 7.547 -8.346 1.00 0.45 N ATOM 2625 CA MET B 63 -11.502 6.562 -7.878 1.00 0.44 C ATOM 2626 C MET B 63 -11.973 5.179 -8.242 1.00 0.41 C ATOM 2627 O MET B 63 -11.211 4.384 -8.777 1.00 0.42 O ATOM 2628 CB MET B 63 -11.316 6.609 -6.365 1.00 0.43 C ATOM 2629 CG MET B 63 -11.239 8.007 -5.794 1.00 0.49 C ATOM 2630 SD MET B 63 -9.830 8.950 -6.413 1.00 0.63 S ATOM 2631 CE MET B 63 -8.460 7.987 -5.776 1.00 1.54 C ATOM 0 H MET B 63 -12.892 8.109 -7.605 1.00 0.45 H new ATOM 0 HA MET B 63 -10.551 6.799 -8.355 1.00 0.44 H new ATOM 0 HB2 MET B 63 -12.143 6.080 -5.892 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.404 6.072 -6.105 1.00 0.43 H new ATOM 0 HG2 MET B 63 -12.159 8.541 -6.032 1.00 0.49 H new ATOM 0 HG3 MET B 63 -11.178 7.946 -4.707 1.00 0.49 H new ATOM 0 HE1 MET B 63 -7.731 8.653 -5.313 1.00 1.54 H new ATOM 0 HE2 MET B 63 -8.827 7.279 -5.033 1.00 1.54 H new ATOM 0 HE3 MET B 63 -7.987 7.443 -6.593 1.00 1.54 H new ATOM 2641 N MET B 64 -13.236 4.904 -7.935 1.00 0.41 N ATOM 2642 CA MET B 64 -13.834 3.620 -8.236 1.00 0.42 C ATOM 2643 C MET B 64 -13.550 3.237 -9.674 1.00 0.44 C ATOM 2644 O MET B 64 -12.890 2.251 -9.919 1.00 0.41 O ATOM 2645 CB MET B 64 -15.339 3.655 -7.971 1.00 0.55 C ATOM 2646 CG MET B 64 -16.040 2.330 -8.224 1.00 0.65 C ATOM 2647 SD MET B 64 -16.555 2.102 -9.938 1.00 1.87 S ATOM 2648 CE MET B 64 -17.660 3.494 -10.141 1.00 2.41 C ATOM 0 H MET B 64 -13.865 5.562 -7.475 1.00 0.41 H new ATOM 0 HA MET B 64 -13.393 2.866 -7.584 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.509 3.953 -6.936 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.791 4.420 -8.602 1.00 0.55 H new ATOM 0 HG2 MET B 64 -15.372 1.516 -7.942 1.00 0.65 H new ATOM 0 HG3 MET B 64 -16.915 2.262 -7.578 1.00 0.65 H new ATOM 0 HE1 MET B 64 -18.380 3.275 -10.930 1.00 2.41 H new ATOM 0 HE2 MET B 64 -18.190 3.677 -9.206 1.00 2.41 H new ATOM 0 HE3 MET B 64 -17.084 4.379 -10.410 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.998 4.055 -10.612 1.00 0.52 N ATOM 2659 CA LYS B 65 -13.795 3.761 -12.037 1.00 0.56 C ATOM 2660 C LYS B 65 -12.315 3.711 -12.409 1.00 0.54 C ATOM 2661 O LYS B 65 -11.908 2.927 -13.268 1.00 0.60 O ATOM 2662 CB LYS B 65 -14.510 4.782 -12.926 1.00 0.67 C ATOM 2663 CG LYS B 65 -16.018 4.598 -12.993 1.00 0.79 C ATOM 2664 CD LYS B 65 -16.403 3.157 -13.313 1.00 0.86 C ATOM 2665 CE LYS B 65 -15.749 2.657 -14.592 1.00 1.57 C ATOM 2666 NZ LYS B 65 -16.035 1.218 -14.836 1.00 2.49 N ATOM 0 H LYS B 65 -14.501 4.922 -10.424 1.00 0.52 H new ATOM 0 HA LYS B 65 -14.226 2.775 -12.209 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -14.293 5.784 -12.557 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -14.102 4.719 -13.935 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -16.462 4.889 -12.041 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -16.431 5.261 -13.753 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -16.113 2.513 -12.483 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -17.486 3.085 -13.409 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -16.106 3.246 -15.437 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -14.671 2.808 -14.531 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -15.629 0.933 -15.750 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -15.613 0.647 -14.077 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -17.064 1.066 -14.852 1.00 2.49 H new ATOM 2680 N LYS B 66 -11.526 4.557 -11.768 1.00 0.50 N ATOM 2681 CA LYS B 66 -10.084 4.600 -11.983 1.00 0.52 C ATOM 2682 C LYS B 66 -9.439 3.263 -11.625 1.00 0.48 C ATOM 2683 O LYS B 66 -8.589 2.746 -12.352 1.00 0.54 O ATOM 2684 CB LYS B 66 -9.490 5.716 -11.121 1.00 0.55 C ATOM 2685 CG LYS B 66 -7.982 5.789 -11.123 1.00 0.91 C ATOM 2686 CD LYS B 66 -7.514 6.899 -10.201 1.00 0.96 C ATOM 2687 CE LYS B 66 -6.177 6.574 -9.575 1.00 0.73 C ATOM 2688 NZ LYS B 66 -5.093 6.488 -10.587 1.00 1.47 N ATOM 0 H LYS B 66 -11.864 5.234 -11.084 1.00 0.50 H new ATOM 0 HA LYS B 66 -9.886 4.796 -13.037 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -9.886 6.671 -11.466 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -9.831 5.582 -10.094 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -7.563 4.836 -10.800 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -7.620 5.969 -12.135 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -7.437 7.831 -10.762 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -8.254 7.059 -9.417 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -5.926 7.338 -8.840 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -6.248 5.627 -9.039 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -4.188 6.297 -10.111 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -5.302 5.719 -11.255 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -5.029 7.388 -11.104 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.868 2.709 -10.508 1.00 0.41 N ATOM 2703 CA LEU B 67 -9.268 1.507 -9.958 1.00 0.39 C ATOM 2704 C LEU B 67 -9.981 0.258 -10.449 1.00 0.40 C ATOM 2705 O LEU B 67 -9.364 -0.795 -10.585 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.353 1.568 -8.449 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.912 2.897 -7.835 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.345 2.978 -6.388 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.407 3.085 -7.959 1.00 0.37 C ATOM 0 H LEU B 67 -10.642 3.078 -9.956 1.00 0.41 H new ATOM 0 HA LEU B 67 -8.229 1.456 -10.285 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.382 1.369 -8.149 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -8.739 0.770 -8.032 1.00 0.34 H new ATOM 0 HG LEU B 67 -9.395 3.704 -8.387 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -9.024 3.930 -5.965 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.431 2.902 -6.328 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -8.893 2.160 -5.827 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -7.122 4.038 -7.514 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.895 2.275 -7.440 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -7.125 3.077 -9.012 1.00 0.37 H new ATOM 2721 N ASP B 68 -11.290 0.396 -10.671 1.00 0.39 N ATOM 2722 CA ASP B 68 -12.148 -0.669 -11.201 1.00 0.42 C ATOM 2723 C ASP B 68 -11.706 -1.001 -12.614 1.00 0.52 C ATOM 2724 O ASP B 68 -12.348 -0.661 -13.610 1.00 0.57 O ATOM 2725 CB ASP B 68 -13.617 -0.206 -11.162 1.00 0.43 C ATOM 2726 CG ASP B 68 -14.586 -1.104 -11.911 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -14.719 -2.293 -11.550 1.00 1.23 O ATOM 2728 OD2 ASP B 68 -15.249 -0.607 -12.857 1.00 1.13 O ATOM 0 H ASP B 68 -11.793 1.264 -10.485 1.00 0.39 H new ATOM 0 HA ASP B 68 -12.062 -1.570 -10.594 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.935 -0.139 -10.122 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.678 0.799 -11.579 1.00 0.43 H new ATOM 2733 N THR B 69 -10.570 -1.640 -12.670 1.00 0.58 N ATOM 2734 CA THR B 69 -9.927 -1.974 -13.913 1.00 0.74 C ATOM 2735 C THR B 69 -10.498 -3.276 -14.454 1.00 0.83 C ATOM 2736 O THR B 69 -10.362 -3.599 -15.636 1.00 0.99 O ATOM 2737 CB THR B 69 -8.407 -2.070 -13.696 1.00 0.79 C ATOM 2738 OG1 THR B 69 -7.710 -1.937 -14.941 1.00 0.91 O ATOM 2739 CG2 THR B 69 -8.037 -3.387 -13.043 1.00 0.82 C ATOM 0 H THR B 69 -10.057 -1.948 -11.844 1.00 0.58 H new ATOM 0 HA THR B 69 -10.115 -1.194 -14.651 1.00 0.74 H new ATOM 0 HB THR B 69 -8.113 -1.255 -13.035 1.00 0.79 H new ATOM 0 HG1 THR B 69 -6.745 -1.999 -14.784 1.00 0.91 H new ATOM 0 HG21 THR B 69 -6.957 -3.432 -12.900 1.00 0.82 H new ATOM 0 HG22 THR B 69 -8.535 -3.466 -12.077 1.00 0.82 H new ATOM 0 HG23 THR B 69 -8.352 -4.211 -13.682 1.00 0.82 H new ATOM 2747 N ASN B 70 -11.148 -4.013 -13.567 1.00 0.80 N ATOM 2748 CA ASN B 70 -11.898 -5.194 -13.947 1.00 0.94 C ATOM 2749 C ASN B 70 -13.240 -4.774 -14.512 1.00 0.86 C ATOM 2750 O ASN B 70 -13.947 -5.545 -15.164 1.00 0.98 O ATOM 2751 CB ASN B 70 -12.105 -6.069 -12.721 1.00 1.00 C ATOM 2752 CG ASN B 70 -12.722 -7.417 -13.042 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -12.508 -7.978 -14.116 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -13.498 -7.941 -12.106 1.00 1.66 N ATOM 0 H ASN B 70 -11.169 -3.808 -12.568 1.00 0.80 H new ATOM 0 HA ASN B 70 -11.350 -5.755 -14.703 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -11.145 -6.225 -12.228 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -12.745 -5.544 -12.012 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -13.946 -8.844 -12.261 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -13.648 -7.441 -11.230 1.00 1.66 H new ATOM 2761 N SER B 71 -13.555 -3.510 -14.247 1.00 0.70 N ATOM 2762 CA SER B 71 -14.751 -2.858 -14.743 1.00 0.66 C ATOM 2763 C SER B 71 -16.010 -3.620 -14.352 1.00 0.61 C ATOM 2764 O SER B 71 -16.955 -3.734 -15.132 1.00 0.66 O ATOM 2765 CB SER B 71 -14.663 -2.678 -16.258 1.00 0.82 C ATOM 2766 OG SER B 71 -13.502 -1.938 -16.613 1.00 1.48 O ATOM 0 H SER B 71 -12.972 -2.903 -13.670 1.00 0.70 H new ATOM 0 HA SER B 71 -14.817 -1.874 -14.279 1.00 0.66 H new ATOM 0 HB2 SER B 71 -14.640 -3.654 -16.744 1.00 0.82 H new ATOM 0 HB3 SER B 71 -15.553 -2.163 -16.620 1.00 0.82 H new ATOM 0 HG SER B 71 -13.464 -1.836 -17.587 1.00 1.48 H new ATOM 2772 N ASP B 72 -16.022 -4.110 -13.126 1.00 0.58 N ATOM 2773 CA ASP B 72 -17.160 -4.851 -12.616 1.00 0.65 C ATOM 2774 C ASP B 72 -17.978 -3.945 -11.713 1.00 0.56 C ATOM 2775 O ASP B 72 -19.147 -4.207 -11.428 1.00 0.66 O ATOM 2776 CB ASP B 72 -16.691 -6.084 -11.837 1.00 0.80 C ATOM 2777 CG ASP B 72 -17.787 -7.117 -11.657 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -18.690 -6.912 -10.818 1.00 1.56 O ATOM 2779 OD2 ASP B 72 -17.748 -8.151 -12.356 1.00 1.53 O ATOM 0 H ASP B 72 -15.253 -4.007 -12.463 1.00 0.58 H new ATOM 0 HA ASP B 72 -17.774 -5.188 -13.452 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -15.850 -6.540 -12.360 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -16.327 -5.773 -10.858 1.00 0.80 H new ATOM 2784 N GLY B 73 -17.355 -2.860 -11.281 1.00 0.45 N ATOM 2785 CA GLY B 73 -18.008 -1.941 -10.377 1.00 0.46 C ATOM 2786 C GLY B 73 -17.611 -2.228 -8.955 1.00 0.41 C ATOM 2787 O GLY B 73 -18.318 -1.880 -8.007 1.00 0.44 O ATOM 0 H GLY B 73 -16.404 -2.600 -11.543 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.741 -0.916 -10.635 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -19.090 -2.025 -10.483 1.00 0.46 H new ATOM 2791 N GLN B 74 -16.477 -2.891 -8.824 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.939 -3.280 -7.544 1.00 0.37 C ATOM 2793 C GLN B 74 -14.433 -3.106 -7.587 1.00 0.36 C ATOM 2794 O GLN B 74 -13.856 -2.980 -8.664 1.00 0.39 O ATOM 2795 CB GLN B 74 -16.262 -4.742 -7.245 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.740 -5.094 -7.258 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.993 -6.539 -6.880 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -18.042 -7.422 -7.734 1.00 1.02 O ATOM 2799 NE2 GLN B 74 -18.145 -6.792 -5.590 1.00 1.25 N ATOM 0 H GLN B 74 -15.901 -3.176 -9.616 1.00 0.38 H new ATOM 0 HA GLN B 74 -16.381 -2.660 -6.764 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.750 -5.367 -7.976 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.853 -4.995 -6.267 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -18.272 -4.442 -6.566 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -18.147 -4.904 -8.251 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -18.098 -6.031 -4.912 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -18.310 -7.748 -5.274 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.806 -3.112 -6.430 1.00 0.33 N ATOM 2809 CA LEU B 75 -12.363 -2.982 -6.354 1.00 0.31 C ATOM 2810 C LEU B 75 -11.748 -4.161 -5.660 1.00 0.32 C ATOM 2811 O LEU B 75 -12.003 -4.419 -4.481 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.953 -1.702 -5.641 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.448 -0.422 -6.301 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -11.903 0.792 -5.576 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -12.048 -0.404 -7.765 1.00 0.35 C ATOM 0 H LEU B 75 -14.272 -3.205 -5.527 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.995 -2.942 -7.379 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -12.327 -1.736 -4.618 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.865 -1.667 -5.582 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.536 -0.390 -6.240 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -12.266 1.698 -6.060 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -12.237 0.776 -4.538 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.814 0.776 -5.607 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -12.406 0.515 -8.229 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -10.962 -0.452 -7.846 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.488 -1.262 -8.273 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.956 -4.886 -6.414 1.00 0.35 N ATOM 2828 CA ASP B 76 -10.292 -6.055 -5.903 1.00 0.36 C ATOM 2829 C ASP B 76 -8.990 -5.678 -5.243 1.00 0.33 C ATOM 2830 O ASP B 76 -8.610 -4.512 -5.210 1.00 0.32 O ATOM 2831 CB ASP B 76 -10.110 -7.104 -7.015 1.00 0.44 C ATOM 2832 CG ASP B 76 -8.842 -6.984 -7.866 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.719 -6.984 -7.320 1.00 1.44 O ATOM 2834 OD2 ASP B 76 -8.967 -6.966 -9.107 1.00 1.68 O ATOM 0 H ASP B 76 -10.756 -4.681 -7.393 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.916 -6.513 -5.135 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -10.121 -8.093 -6.556 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -10.973 -7.051 -7.679 1.00 0.44 H new ATOM 2839 N PHE B 77 -8.342 -6.678 -4.695 1.00 0.40 N ATOM 2840 CA PHE B 77 -7.125 -6.514 -3.929 1.00 0.49 C ATOM 2841 C PHE B 77 -6.113 -5.585 -4.601 1.00 0.39 C ATOM 2842 O PHE B 77 -5.625 -4.650 -3.977 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.535 -7.895 -3.668 1.00 0.72 C ATOM 2844 CG PHE B 77 -6.437 -8.791 -4.877 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -7.502 -9.601 -5.240 1.00 2.66 C ATOM 2846 CD2 PHE B 77 -5.284 -8.830 -5.643 1.00 2.56 C ATOM 2847 CE1 PHE B 77 -7.417 -10.428 -6.341 1.00 3.77 C ATOM 2848 CE2 PHE B 77 -5.195 -9.655 -6.747 1.00 3.67 C ATOM 2849 CZ PHE B 77 -6.262 -10.455 -7.097 1.00 4.14 C ATOM 0 H PHE B 77 -8.650 -7.648 -4.769 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.371 -6.027 -2.986 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -5.538 -7.772 -3.245 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -7.142 -8.395 -2.913 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -8.409 -9.584 -4.654 1.00 2.66 H new ATOM 0 HD2 PHE B 77 -4.444 -8.207 -5.374 1.00 2.56 H new ATOM 0 HE1 PHE B 77 -8.254 -11.054 -6.612 1.00 3.77 H new ATOM 0 HE2 PHE B 77 -4.290 -9.673 -7.336 1.00 3.67 H new ATOM 0 HZ PHE B 77 -6.195 -11.101 -7.960 1.00 4.14 H new ATOM 2859 N SER B 78 -5.834 -5.826 -5.865 1.00 0.38 N ATOM 2860 CA SER B 78 -4.873 -5.031 -6.611 1.00 0.38 C ATOM 2861 C SER B 78 -5.434 -3.649 -6.927 1.00 0.38 C ATOM 2862 O SER B 78 -4.700 -2.663 -6.972 1.00 0.44 O ATOM 2863 CB SER B 78 -4.490 -5.755 -7.903 1.00 0.44 C ATOM 2864 OG SER B 78 -5.638 -6.112 -8.661 1.00 1.32 O ATOM 0 H SER B 78 -6.264 -6.576 -6.406 1.00 0.38 H new ATOM 0 HA SER B 78 -3.983 -4.901 -5.996 1.00 0.38 H new ATOM 0 HB2 SER B 78 -3.842 -5.115 -8.502 1.00 0.44 H new ATOM 0 HB3 SER B 78 -3.918 -6.651 -7.663 1.00 0.44 H new ATOM 0 HG SER B 78 -6.194 -6.729 -8.141 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.744 -3.579 -7.108 1.00 0.36 N ATOM 2871 CA GLU B 79 -7.398 -2.335 -7.489 1.00 0.42 C ATOM 2872 C GLU B 79 -7.479 -1.402 -6.287 1.00 0.33 C ATOM 2873 O GLU B 79 -7.293 -0.191 -6.404 1.00 0.33 O ATOM 2874 CB GLU B 79 -8.790 -2.628 -8.050 1.00 0.51 C ATOM 2875 CG GLU B 79 -8.764 -3.627 -9.198 1.00 0.64 C ATOM 2876 CD GLU B 79 -10.138 -3.943 -9.755 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -11.002 -4.404 -8.989 1.00 2.57 O ATOM 2878 OE2 GLU B 79 -10.340 -3.772 -10.975 1.00 2.54 O ATOM 0 H GLU B 79 -7.377 -4.371 -6.997 1.00 0.36 H new ATOM 0 HA GLU B 79 -6.813 -1.842 -8.266 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -9.424 -3.014 -7.252 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -9.242 -1.697 -8.394 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -8.138 -3.233 -9.998 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -8.298 -4.551 -8.855 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.728 -1.989 -5.126 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.742 -1.253 -3.873 1.00 0.25 C ATOM 2887 C PHE B 80 -6.326 -0.809 -3.514 1.00 0.23 C ATOM 2888 O PHE B 80 -6.126 0.188 -2.830 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.325 -2.130 -2.760 1.00 0.31 C ATOM 2890 CG PHE B 80 -8.501 -1.418 -1.449 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -9.551 -0.536 -1.261 1.00 1.26 C ATOM 2892 CD2 PHE B 80 -7.616 -1.634 -0.405 1.00 1.60 C ATOM 2893 CE1 PHE B 80 -9.717 0.119 -0.057 1.00 1.56 C ATOM 2894 CE2 PHE B 80 -7.778 -0.982 0.801 1.00 1.98 C ATOM 2895 CZ PHE B 80 -8.829 -0.103 0.974 1.00 1.64 C ATOM 0 H PHE B 80 -7.925 -2.985 -5.027 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.368 -0.367 -3.985 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -9.291 -2.516 -3.084 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.672 -2.990 -2.610 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -10.249 -0.358 -2.066 1.00 1.26 H new ATOM 0 HD2 PHE B 80 -6.791 -2.319 -0.536 1.00 1.60 H new ATOM 0 HE1 PHE B 80 -10.541 0.804 0.077 1.00 1.56 H new ATOM 0 HE2 PHE B 80 -7.083 -1.159 1.609 1.00 1.98 H new ATOM 0 HZ PHE B 80 -8.955 0.410 1.916 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.342 -1.554 -3.987 1.00 0.25 N ATOM 2906 CA LEU B 81 -3.949 -1.208 -3.749 1.00 0.26 C ATOM 2907 C LEU B 81 -3.467 -0.165 -4.733 1.00 0.26 C ATOM 2908 O LEU B 81 -2.570 0.623 -4.425 1.00 0.27 O ATOM 2909 CB LEU B 81 -3.078 -2.440 -3.833 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.315 -3.461 -2.727 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.502 -4.708 -2.998 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -2.991 -2.869 -1.354 1.00 0.29 C ATOM 0 H LEU B 81 -5.480 -2.401 -4.538 1.00 0.25 H new ATOM 0 HA LEU B 81 -3.877 -0.788 -2.746 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -3.245 -2.922 -4.796 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -2.033 -2.132 -3.808 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.371 -3.733 -2.718 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.675 -5.435 -2.204 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.801 -5.137 -3.954 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.443 -4.452 -3.031 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.169 -3.619 -0.583 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -1.945 -2.562 -1.328 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -3.628 -2.003 -1.172 1.00 0.29 H new ATOM 2924 N ASN B 82 -4.044 -0.176 -5.925 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.825 0.896 -6.872 1.00 0.26 C ATOM 2926 C ASN B 82 -4.230 2.204 -6.222 1.00 0.23 C ATOM 2927 O ASN B 82 -3.575 3.241 -6.369 1.00 0.24 O ATOM 2928 CB ASN B 82 -4.657 0.678 -8.138 1.00 0.30 C ATOM 2929 CG ASN B 82 -4.081 -0.372 -9.066 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -2.874 -0.610 -9.085 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -4.942 -0.996 -9.858 1.00 1.42 N ATOM 0 H ASN B 82 -4.665 -0.915 -6.255 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.772 0.918 -7.152 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -5.667 0.385 -7.853 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -4.739 1.622 -8.677 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -4.611 -1.703 -10.514 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -5.935 -0.769 -9.811 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.330 2.116 -5.497 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.827 3.198 -4.676 1.00 0.24 C ATOM 2940 C LEU B 83 -4.786 3.640 -3.663 1.00 0.23 C ATOM 2941 O LEU B 83 -4.448 4.817 -3.589 1.00 0.25 O ATOM 2942 CB LEU B 83 -7.068 2.721 -3.952 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.526 3.609 -2.810 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -8.022 4.947 -3.336 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.590 2.904 -1.995 1.00 0.36 C ATOM 0 H LEU B 83 -5.910 1.277 -5.463 1.00 0.23 H new ATOM 0 HA LEU B 83 -6.058 4.051 -5.314 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.881 2.635 -4.673 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -6.881 1.721 -3.562 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.677 3.809 -2.156 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.346 5.569 -2.501 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -7.216 5.449 -3.871 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -8.860 4.784 -4.013 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -8.911 3.551 -1.178 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.444 2.674 -2.633 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.182 1.979 -1.587 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.301 2.684 -2.878 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.265 2.943 -1.882 1.00 0.26 C ATOM 2959 C ILE B 84 -2.070 3.644 -2.516 1.00 0.27 C ATOM 2960 O ILE B 84 -1.430 4.485 -1.886 1.00 0.29 O ATOM 2961 CB ILE B 84 -2.836 1.633 -1.174 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -3.646 1.433 0.110 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -1.344 1.619 -0.858 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -5.135 1.287 -0.108 1.00 0.62 C ATOM 0 H ILE B 84 -4.612 1.713 -2.913 1.00 0.24 H new ATOM 0 HA ILE B 84 -3.680 3.608 -1.124 1.00 0.26 H new ATOM 0 HB ILE B 84 -3.037 0.811 -1.860 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -3.277 0.545 0.623 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -3.469 2.280 0.772 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.086 0.683 -0.362 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -0.775 1.708 -1.784 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -1.103 2.456 -0.202 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -5.632 1.149 0.853 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -5.522 2.184 -0.591 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.327 0.422 -0.743 1.00 0.62 H new ATOM 2976 N GLY B 85 -1.799 3.318 -3.772 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.778 4.020 -4.513 1.00 0.29 C ATOM 2978 C GLY B 85 -1.053 5.509 -4.568 1.00 0.28 C ATOM 2979 O GLY B 85 -0.234 6.308 -4.126 1.00 0.32 O ATOM 0 H GLY B 85 -2.271 2.577 -4.290 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.193 3.846 -4.050 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.724 3.622 -5.526 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.240 5.878 -5.046 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.569 7.285 -5.208 1.00 0.30 C ATOM 2985 C GLY B 86 -2.746 7.973 -3.874 1.00 0.29 C ATOM 2986 O GLY B 86 -2.410 9.146 -3.710 1.00 0.34 O ATOM 0 H GLY B 86 -2.977 5.230 -5.323 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.779 7.781 -5.772 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.485 7.380 -5.791 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.250 7.214 -2.921 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.446 7.685 -1.562 1.00 0.25 C ATOM 2992 C LEU B 87 -2.113 8.059 -0.945 1.00 0.26 C ATOM 2993 O LEU B 87 -1.882 9.206 -0.557 1.00 0.29 O ATOM 2994 CB LEU B 87 -4.068 6.578 -0.723 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.572 6.372 -0.854 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -5.944 5.015 -0.292 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.332 7.455 -0.106 1.00 0.35 C ATOM 0 H LEU B 87 -3.537 6.246 -3.068 1.00 0.25 H new ATOM 0 HA LEU B 87 -4.101 8.556 -1.586 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.574 5.641 -0.979 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -3.844 6.780 0.324 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.840 6.425 -1.909 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.020 4.865 -0.385 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.420 4.236 -0.846 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -5.660 4.966 0.759 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.404 7.288 -0.213 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.064 7.424 0.950 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -6.074 8.431 -0.518 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.233 7.070 -0.879 1.00 0.25 N ATOM 3010 CA ALA B 88 0.062 7.235 -0.260 1.00 0.27 C ATOM 3011 C ALA B 88 0.859 8.311 -0.947 1.00 0.29 C ATOM 3012 O ALA B 88 1.570 9.071 -0.303 1.00 0.35 O ATOM 3013 CB ALA B 88 0.847 5.944 -0.308 1.00 0.26 C ATOM 0 H ALA B 88 -1.402 6.136 -1.253 1.00 0.25 H new ATOM 0 HA ALA B 88 -0.111 7.522 0.777 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.819 6.091 0.164 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.300 5.165 0.224 1.00 0.26 H new ATOM 0 HB3 ALA B 88 0.989 5.643 -1.346 1.00 0.26 H new ATOM 3019 N MET B 89 0.748 8.357 -2.262 1.00 0.29 N ATOM 3020 CA MET B 89 1.515 9.298 -3.050 1.00 0.32 C ATOM 3021 C MET B 89 1.179 10.732 -2.677 1.00 0.34 C ATOM 3022 O MET B 89 2.053 11.596 -2.685 1.00 0.39 O ATOM 3023 CB MET B 89 1.292 9.063 -4.540 1.00 0.34 C ATOM 3024 CG MET B 89 2.013 7.834 -5.054 1.00 0.42 C ATOM 3025 SD MET B 89 2.110 7.782 -6.854 1.00 1.03 S ATOM 3026 CE MET B 89 0.375 7.739 -7.295 1.00 1.89 C ATOM 0 H MET B 89 0.133 7.752 -2.805 1.00 0.29 H new ATOM 0 HA MET B 89 2.570 9.134 -2.830 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.224 8.959 -4.731 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.631 9.937 -5.096 1.00 0.34 H new ATOM 0 HG2 MET B 89 3.021 7.810 -4.640 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.500 6.941 -4.696 1.00 0.42 H new ATOM 0 HE1 MET B 89 0.277 7.633 -8.375 1.00 1.89 H new ATOM 0 HE2 MET B 89 -0.105 6.893 -6.802 1.00 1.89 H new ATOM 0 HE3 MET B 89 -0.105 8.664 -6.976 1.00 1.89 H new ATOM 3036 N ALA B 90 -0.074 10.970 -2.317 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.500 12.293 -1.888 1.00 0.39 C ATOM 3038 C ALA B 90 0.175 12.667 -0.572 1.00 0.42 C ATOM 3039 O ALA B 90 0.625 13.797 -0.391 1.00 0.49 O ATOM 3040 CB ALA B 90 -2.013 12.342 -1.754 1.00 0.46 C ATOM 0 H ALA B 90 -0.812 10.265 -2.314 1.00 0.34 H new ATOM 0 HA ALA B 90 -0.201 13.020 -2.643 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.318 13.338 -1.432 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.471 12.116 -2.717 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.337 11.608 -1.017 1.00 0.46 H new ATOM 3046 N CYS B 91 0.271 11.697 0.332 1.00 0.41 N ATOM 3047 CA CYS B 91 0.911 11.910 1.623 1.00 0.47 C ATOM 3048 C CYS B 91 2.424 12.043 1.443 1.00 0.44 C ATOM 3049 O CYS B 91 3.062 12.878 2.082 1.00 0.51 O ATOM 3050 CB CYS B 91 0.577 10.762 2.586 1.00 0.55 C ATOM 3051 SG CYS B 91 1.166 11.011 4.275 1.00 1.76 S ATOM 0 H CYS B 91 -0.088 10.753 0.192 1.00 0.41 H new ATOM 0 HA CYS B 91 0.530 12.835 2.055 1.00 0.47 H new ATOM 0 HB2 CYS B 91 -0.504 10.625 2.608 1.00 0.55 H new ATOM 0 HB3 CYS B 91 1.008 9.840 2.196 1.00 0.55 H new ATOM 0 HG CYS B 91 2.315 11.618 4.249 1.00 1.76 H new ATOM 3057 N HIS B 92 2.990 11.226 0.552 1.00 0.41 N ATOM 3058 CA HIS B 92 4.406 11.333 0.209 1.00 0.46 C ATOM 3059 C HIS B 92 4.698 12.728 -0.309 1.00 0.45 C ATOM 3060 O HIS B 92 5.581 13.409 0.188 1.00 0.49 O ATOM 3061 CB HIS B 92 4.816 10.311 -0.862 1.00 0.54 C ATOM 3062 CG HIS B 92 4.991 8.904 -0.372 1.00 1.21 C ATOM 3063 ND1 HIS B 92 4.242 7.794 -0.576 1.00 2.12 N flip ATOM 3064 CD2 HIS B 92 6.061 8.500 0.400 1.00 1.96 C flip ATOM 3065 CE1 HIS B 92 4.870 6.753 0.060 1.00 2.74 C flip ATOM 3066 NE2 HIS B 92 5.963 7.204 0.642 1.00 2.62 N flip ATOM 0 H HIS B 92 2.490 10.487 0.058 1.00 0.41 H new ATOM 0 HA HIS B 92 4.979 11.129 1.113 1.00 0.46 H new ATOM 0 HB2 HIS B 92 4.063 10.313 -1.650 1.00 0.54 H new ATOM 0 HB3 HIS B 92 5.751 10.639 -1.315 1.00 0.54 H new ATOM 0 HD1 HIS B 92 3.371 7.742 -1.105 1.00 2.12 H new ATOM 0 HD2 HIS B 92 6.855 9.142 0.752 1.00 1.96 H new ATOM 0 HE1 HIS B 92 4.525 5.730 0.080 1.00 2.74 H new ATOM 3075 N ASP B 93 3.917 13.140 -1.298 1.00 0.45 N ATOM 3076 CA ASP B 93 4.058 14.452 -1.921 1.00 0.52 C ATOM 3077 C ASP B 93 3.937 15.558 -0.877 1.00 0.56 C ATOM 3078 O ASP B 93 4.674 16.541 -0.908 1.00 0.65 O ATOM 3079 CB ASP B 93 2.975 14.610 -2.988 1.00 0.54 C ATOM 3080 CG ASP B 93 3.110 15.877 -3.808 1.00 0.92 C ATOM 3081 OD1 ASP B 93 3.789 15.843 -4.854 1.00 1.48 O ATOM 3082 OD2 ASP B 93 2.513 16.905 -3.428 1.00 1.74 O ATOM 0 H ASP B 93 3.166 12.574 -1.693 1.00 0.45 H new ATOM 0 HA ASP B 93 5.043 14.531 -2.381 1.00 0.52 H new ATOM 0 HB2 ASP B 93 3.007 13.750 -3.656 1.00 0.54 H new ATOM 0 HB3 ASP B 93 1.998 14.602 -2.505 1.00 0.54 H new ATOM 3087 N SER B 94 3.020 15.366 0.062 1.00 0.54 N ATOM 3088 CA SER B 94 2.826 16.307 1.153 1.00 0.60 C ATOM 3089 C SER B 94 4.099 16.432 1.974 1.00 0.63 C ATOM 3090 O SER B 94 4.579 17.533 2.225 1.00 0.70 O ATOM 3091 CB SER B 94 1.682 15.845 2.050 1.00 0.65 C ATOM 3092 OG SER B 94 0.455 15.811 1.335 1.00 1.26 O ATOM 0 H SER B 94 2.395 14.560 0.088 1.00 0.54 H new ATOM 0 HA SER B 94 2.578 17.280 0.729 1.00 0.60 H new ATOM 0 HB2 SER B 94 1.903 14.854 2.446 1.00 0.65 H new ATOM 0 HB3 SER B 94 1.591 16.517 2.904 1.00 0.65 H new ATOM 0 HG SER B 94 0.375 14.956 0.863 1.00 1.26 H new ATOM 3098 N PHE B 95 4.651 15.288 2.358 1.00 0.60 N ATOM 3099 CA PHE B 95 5.862 15.241 3.164 1.00 0.67 C ATOM 3100 C PHE B 95 7.042 15.819 2.406 1.00 0.73 C ATOM 3101 O PHE B 95 7.862 16.532 2.967 1.00 0.84 O ATOM 3102 CB PHE B 95 6.169 13.803 3.566 1.00 0.64 C ATOM 3103 CG PHE B 95 5.563 13.400 4.880 1.00 0.78 C ATOM 3104 CD1 PHE B 95 4.256 12.949 4.950 1.00 1.29 C ATOM 3105 CD2 PHE B 95 6.308 13.469 6.048 1.00 1.80 C ATOM 3106 CE1 PHE B 95 3.701 12.578 6.160 1.00 1.76 C ATOM 3107 CE2 PHE B 95 5.758 13.099 7.260 1.00 2.35 C ATOM 3108 CZ PHE B 95 4.452 12.652 7.316 1.00 2.07 C ATOM 0 H PHE B 95 4.273 14.371 2.120 1.00 0.60 H new ATOM 0 HA PHE B 95 5.695 15.841 4.058 1.00 0.67 H new ATOM 0 HB2 PHE B 95 5.806 13.132 2.788 1.00 0.64 H new ATOM 0 HB3 PHE B 95 7.250 13.673 3.620 1.00 0.64 H new ATOM 0 HD1 PHE B 95 3.664 12.886 4.049 1.00 1.29 H new ATOM 0 HD2 PHE B 95 7.330 13.816 6.009 1.00 1.80 H new ATOM 0 HE1 PHE B 95 2.679 12.230 6.201 1.00 1.76 H new ATOM 0 HE2 PHE B 95 6.348 13.159 8.163 1.00 2.35 H new ATOM 0 HZ PHE B 95 4.020 12.361 8.262 1.00 2.07 H new