USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 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: A 44 GLN :FLIP amide:sc= -0.0378 F(o=-1.8,f=-1.1) USER MOD Set 1.2: B 44 GLN :FLIP amide:sc= -1.03 F(o=-2,f=-1.1) USER MOD Single : A 1 PHE N :NH3+ 148:sc= 0.975 (180deg=0.373) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 14 LYS NZ :NH3+ -161:sc= -0.0517 (180deg=-0.493) USER MOD Single : A 15 TYR OH : rot -28:sc= 1.19 USER MOD Single : A 16 HIS : no HE2:sc= -0.0357 K(o=-0.036,f=-2) USER MOD Single : A 17 SER OG : rot -6:sc= 0.979 USER MOD Single : A 18 ASN : amide:sc= -0.0328 K(o=-0.033,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 156:sc= -0.191 (180deg=-1.11) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.433 X(o=-0.43,f=-0.0012) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 91:sc= 0.763 USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0647) USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= -0.0095 (180deg=-0.231) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -0.317 F(o=-1.1!,f=-0.32) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : B 1 PHE N :NH3+ 144:sc= 0.998 (180deg=0.394) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : B 14 LYS NZ :NH3+ -160:sc= -0.049 (180deg=-0.489) USER MOD Single : B 15 TYR OH : rot -25:sc= 1.19 USER MOD Single : B 16 HIS : no HE2:sc= 0.00832 K(o=0.0083,f=-2) USER MOD Single : B 17 SER OG : rot 0:sc= 1 USER MOD Single : B 18 ASN : amide:sc= -0.0227 K(o=-0.023,f=-1.9!) USER MOD Single : B 22 MET CE :methyl 157:sc= -0.151 (180deg=-1.15) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.472 X(o=-0.47,f=-0.0039) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 93:sc= 0.818 USER MOD Single : B 42 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0726) USER MOD Single : B 46 LYS NZ :NH3+ -164:sc= -0.0122 (180deg=-0.213) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS :FLIP no HD1:sc= -0.269 F(o=-1.1,f=-0.27) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.307 -4.672 24.035 1.00 0.00 N ATOM 2 CA PHE A 1 95.033 -3.839 25.241 1.00 0.00 C ATOM 3 C PHE A 1 95.173 -2.367 24.866 1.00 0.00 C ATOM 4 O PHE A 1 96.262 -1.851 24.716 1.00 0.00 O ATOM 5 CB PHE A 1 96.029 -4.202 26.342 1.00 0.00 C ATOM 6 CG PHE A 1 96.204 -5.708 26.378 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.149 -6.523 26.804 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.417 -6.287 25.976 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.305 -7.916 26.830 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.570 -7.681 26.002 1.00 0.00 C ATOM 11 CZ PHE A 1 96.516 -8.492 26.429 1.00 0.00 C ATOM 0 H1 PHE A 1 95.742 -5.571 24.325 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.415 -4.864 23.536 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.956 -4.163 23.401 1.00 0.00 H new ATOM 0 HA PHE A 1 94.022 -4.023 25.605 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.987 -3.717 26.157 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.671 -3.842 27.306 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.214 -6.079 27.113 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.232 -5.660 25.647 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.491 -8.545 27.159 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.503 -8.127 25.692 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.636 -9.565 26.450 1.00 0.00 H new ATOM 23 N LEU A 2 94.065 -1.696 24.688 1.00 0.00 N ATOM 24 CA LEU A 2 94.099 -0.256 24.287 1.00 0.00 C ATOM 25 C LEU A 2 93.831 0.656 25.477 1.00 0.00 C ATOM 26 O LEU A 2 93.023 0.370 26.331 1.00 0.00 O ATOM 27 CB LEU A 2 93.040 -0.010 23.210 1.00 0.00 C ATOM 28 CG LEU A 2 93.235 -0.998 22.054 1.00 0.00 C ATOM 29 CD1 LEU A 2 92.170 -0.741 20.983 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.635 -0.823 21.441 1.00 0.00 C ATOM 0 H LEU A 2 93.130 -2.086 24.804 1.00 0.00 H new ATOM 0 HA LEU A 2 95.093 -0.029 23.901 1.00 0.00 H new ATOM 0 HB2 LEU A 2 92.043 -0.125 23.635 1.00 0.00 H new ATOM 0 HB3 LEU A 2 93.113 1.013 22.842 1.00 0.00 H new ATOM 0 HG LEU A 2 93.139 -2.016 22.432 1.00 0.00 H new ATOM 0 HD11 LEU A 2 92.306 -1.442 20.159 1.00 0.00 H new ATOM 0 HD12 LEU A 2 91.179 -0.877 21.416 1.00 0.00 H new ATOM 0 HD13 LEU A 2 92.267 0.279 20.611 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.764 -1.529 20.621 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.743 0.194 21.064 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.392 -1.010 22.203 1.00 0.00 H new ATOM 42 N ASP A 3 94.505 1.773 25.511 1.00 0.00 N ATOM 43 CA ASP A 3 94.300 2.747 26.618 1.00 0.00 C ATOM 44 C ASP A 3 92.839 3.187 26.610 1.00 0.00 C ATOM 45 O ASP A 3 92.232 3.378 27.645 1.00 0.00 O ATOM 46 CB ASP A 3 95.205 3.964 26.410 1.00 0.00 C ATOM 47 CG ASP A 3 96.661 3.572 26.675 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.873 2.608 27.391 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.538 4.245 26.159 1.00 0.00 O ATOM 0 H ASP A 3 95.194 2.054 24.813 1.00 0.00 H new ATOM 0 HA ASP A 3 94.547 2.284 27.573 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.098 4.340 25.392 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.907 4.770 27.080 1.00 0.00 H new ATOM 54 N GLY A 4 92.262 3.338 25.446 1.00 0.00 N ATOM 55 CA GLY A 4 90.830 3.749 25.370 1.00 0.00 C ATOM 56 C GLY A 4 90.009 2.868 26.314 1.00 0.00 C ATOM 57 O GLY A 4 88.872 3.156 26.625 1.00 0.00 O ATOM 0 H GLY A 4 92.721 3.194 24.546 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.724 4.798 25.646 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.463 3.650 24.348 1.00 0.00 H new ATOM 61 N ILE A 5 90.591 1.803 26.789 1.00 0.00 N ATOM 62 CA ILE A 5 89.872 0.909 27.734 1.00 0.00 C ATOM 63 C ILE A 5 89.513 1.712 28.988 1.00 0.00 C ATOM 64 O ILE A 5 88.475 1.516 29.588 1.00 0.00 O ATOM 65 CB ILE A 5 90.772 -0.287 28.077 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.777 -1.257 26.894 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.254 -1.004 29.330 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.881 -2.301 27.083 1.00 0.00 C ATOM 0 H ILE A 5 91.542 1.513 26.560 1.00 0.00 H new ATOM 0 HA ILE A 5 88.954 0.528 27.287 1.00 0.00 H new ATOM 0 HB ILE A 5 91.784 0.068 28.274 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.808 -1.750 26.812 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.936 -0.710 25.965 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.903 -1.849 29.560 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.250 -0.310 30.171 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.240 -1.363 29.151 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.880 -2.989 26.238 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.848 -1.801 27.143 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.702 -2.857 28.003 1.00 0.00 H new ATOM 80 N ASP A 6 90.359 2.623 29.377 1.00 0.00 N ATOM 81 CA ASP A 6 90.066 3.451 30.579 1.00 0.00 C ATOM 82 C ASP A 6 88.762 4.215 30.333 1.00 0.00 C ATOM 83 O ASP A 6 87.939 4.367 31.214 1.00 0.00 O ATOM 84 CB ASP A 6 91.209 4.441 30.808 1.00 0.00 C ATOM 85 CG ASP A 6 90.938 5.259 32.072 1.00 0.00 C ATOM 86 OD1 ASP A 6 89.814 5.228 32.545 1.00 0.00 O ATOM 87 OD2 ASP A 6 91.859 5.902 32.547 1.00 0.00 O ATOM 0 H ASP A 6 91.243 2.831 28.913 1.00 0.00 H new ATOM 0 HA ASP A 6 89.966 2.816 31.459 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.153 3.905 30.906 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.306 5.104 29.948 1.00 0.00 H new ATOM 92 N LYS A 7 88.569 4.691 29.132 1.00 0.00 N ATOM 93 CA LYS A 7 87.321 5.441 28.807 1.00 0.00 C ATOM 94 C LYS A 7 86.121 4.504 28.970 1.00 0.00 C ATOM 95 O LYS A 7 85.069 4.899 29.430 1.00 0.00 O ATOM 96 CB LYS A 7 87.381 5.923 27.350 1.00 0.00 C ATOM 97 CG LYS A 7 88.506 6.953 27.163 1.00 0.00 C ATOM 98 CD LYS A 7 88.044 8.340 27.626 1.00 0.00 C ATOM 99 CE LYS A 7 89.138 9.364 27.319 1.00 0.00 C ATOM 100 NZ LYS A 7 88.708 10.708 27.795 1.00 0.00 N ATOM 0 H LYS A 7 89.226 4.592 28.358 1.00 0.00 H new ATOM 0 HA LYS A 7 87.223 6.297 29.474 1.00 0.00 H new ATOM 0 HB2 LYS A 7 87.546 5.073 26.687 1.00 0.00 H new ATOM 0 HB3 LYS A 7 86.426 6.366 27.069 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.385 6.648 27.730 1.00 0.00 H new ATOM 0 HG3 LYS A 7 88.801 6.992 26.114 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.119 8.616 27.120 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.831 8.327 28.695 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.069 9.075 27.806 1.00 0.00 H new ATOM 0 HE3 LYS A 7 89.335 9.392 26.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 89.452 11.404 27.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 87.830 10.983 27.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 88.542 10.676 28.821 1.00 0.00 H new ATOM 114 N ALA A 8 86.273 3.265 28.588 1.00 0.00 N ATOM 115 CA ALA A 8 85.145 2.296 28.708 1.00 0.00 C ATOM 116 C ALA A 8 84.716 2.172 30.172 1.00 0.00 C ATOM 117 O ALA A 8 83.547 2.038 30.474 1.00 0.00 O ATOM 118 CB ALA A 8 85.598 0.924 28.202 1.00 0.00 C ATOM 0 H ALA A 8 87.133 2.880 28.197 1.00 0.00 H new ATOM 0 HA ALA A 8 84.304 2.653 28.114 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.775 0.214 28.289 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.900 1.003 27.158 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.441 0.576 28.799 1.00 0.00 H new ATOM 124 N GLN A 9 85.648 2.205 31.084 1.00 0.00 N ATOM 125 CA GLN A 9 85.279 2.075 32.523 1.00 0.00 C ATOM 126 C GLN A 9 84.335 3.209 32.931 1.00 0.00 C ATOM 127 O GLN A 9 83.383 3.003 33.657 1.00 0.00 O ATOM 128 CB GLN A 9 86.546 2.138 33.379 1.00 0.00 C ATOM 129 CG GLN A 9 87.367 0.866 33.167 1.00 0.00 C ATOM 130 CD GLN A 9 88.660 0.947 33.979 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.279 1.990 34.056 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.096 -0.117 34.598 1.00 0.00 N ATOM 0 H GLN A 9 86.645 2.316 30.897 1.00 0.00 H new ATOM 0 HA GLN A 9 84.775 1.121 32.676 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.136 3.014 33.110 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.282 2.242 34.431 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.789 -0.007 33.471 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.598 0.742 32.109 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.577 -0.993 34.534 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.955 -0.072 35.146 1.00 0.00 H new ATOM 141 N GLU A 10 84.585 4.404 32.474 1.00 0.00 N ATOM 142 CA GLU A 10 83.693 5.542 32.843 1.00 0.00 C ATOM 143 C GLU A 10 82.265 5.267 32.357 1.00 0.00 C ATOM 144 O GLU A 10 81.302 5.575 33.030 1.00 0.00 O ATOM 145 CB GLU A 10 84.216 6.838 32.209 1.00 0.00 C ATOM 146 CG GLU A 10 83.347 8.027 32.646 1.00 0.00 C ATOM 147 CD GLU A 10 83.461 8.222 34.160 1.00 0.00 C ATOM 148 OE1 GLU A 10 84.425 7.737 34.730 1.00 0.00 O ATOM 149 OE2 GLU A 10 82.582 8.851 34.725 1.00 0.00 O ATOM 0 H GLU A 10 85.366 4.643 31.863 1.00 0.00 H new ATOM 0 HA GLU A 10 83.685 5.650 33.928 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.251 7.005 32.506 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.206 6.750 31.123 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.665 8.932 32.128 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.307 7.851 32.370 1.00 0.00 H new ATOM 156 N GLU A 11 82.120 4.712 31.182 1.00 0.00 N ATOM 157 CA GLU A 11 80.752 4.445 30.635 1.00 0.00 C ATOM 158 C GLU A 11 80.277 3.043 31.026 1.00 0.00 C ATOM 159 O GLU A 11 79.200 2.623 30.653 1.00 0.00 O ATOM 160 CB GLU A 11 80.790 4.542 29.109 1.00 0.00 C ATOM 161 CG GLU A 11 81.123 5.976 28.692 1.00 0.00 C ATOM 162 CD GLU A 11 81.159 6.064 27.165 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.036 5.030 26.528 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.304 7.164 26.659 1.00 0.00 O ATOM 0 H GLU A 11 82.890 4.431 30.575 1.00 0.00 H new ATOM 0 HA GLU A 11 80.064 5.183 31.048 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.536 3.854 28.710 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.827 4.246 28.692 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.378 6.665 29.090 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.086 6.273 29.108 1.00 0.00 H new ATOM 171 N CYS A 12 81.060 2.310 31.768 1.00 0.00 N ATOM 172 CA CYS A 12 80.631 0.935 32.164 1.00 0.00 C ATOM 173 C CYS A 12 79.195 0.975 32.693 1.00 0.00 C ATOM 174 O CYS A 12 78.383 0.127 32.381 1.00 0.00 O ATOM 175 CB CYS A 12 81.556 0.408 33.262 1.00 0.00 C ATOM 176 SG CYS A 12 81.091 -1.292 33.678 1.00 0.00 S ATOM 0 H CYS A 12 81.974 2.599 32.117 1.00 0.00 H new ATOM 0 HA CYS A 12 80.681 0.279 31.295 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.592 0.441 32.926 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.487 1.042 34.146 1.00 0.00 H new ATOM 181 N GLU A 13 78.879 1.950 33.499 1.00 0.00 N ATOM 182 CA GLU A 13 77.501 2.044 34.059 1.00 0.00 C ATOM 183 C GLU A 13 76.480 2.225 32.929 1.00 0.00 C ATOM 184 O GLU A 13 75.401 1.666 32.965 1.00 0.00 O ATOM 185 CB GLU A 13 77.419 3.236 35.017 1.00 0.00 C ATOM 186 CG GLU A 13 78.259 2.956 36.267 1.00 0.00 C ATOM 187 CD GLU A 13 77.633 1.813 37.070 1.00 0.00 C ATOM 188 OE1 GLU A 13 76.479 1.505 36.823 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.319 1.266 37.916 1.00 0.00 O ATOM 0 H GLU A 13 79.517 2.688 33.795 1.00 0.00 H new ATOM 0 HA GLU A 13 77.274 1.124 34.597 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.778 4.138 34.521 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.382 3.418 35.298 1.00 0.00 H new ATOM 0 HG2 GLU A 13 79.278 2.695 35.980 1.00 0.00 H new ATOM 0 HG3 GLU A 13 78.321 3.853 36.883 1.00 0.00 H new ATOM 196 N LYS A 14 76.798 3.013 31.937 1.00 0.00 N ATOM 197 CA LYS A 14 75.826 3.235 30.824 1.00 0.00 C ATOM 198 C LYS A 14 75.536 1.912 30.110 1.00 0.00 C ATOM 199 O LYS A 14 74.414 1.639 29.731 1.00 0.00 O ATOM 200 CB LYS A 14 76.400 4.236 29.815 1.00 0.00 C ATOM 201 CG LYS A 14 75.309 4.620 28.809 1.00 0.00 C ATOM 202 CD LYS A 14 75.868 5.621 27.794 1.00 0.00 C ATOM 203 CE LYS A 14 74.773 6.001 26.793 1.00 0.00 C ATOM 204 NZ LYS A 14 74.373 4.796 26.011 1.00 0.00 N ATOM 0 H LYS A 14 77.684 3.511 31.848 1.00 0.00 H new ATOM 0 HA LYS A 14 74.902 3.633 31.244 1.00 0.00 H new ATOM 0 HB2 LYS A 14 76.763 5.124 30.332 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.253 3.799 29.296 1.00 0.00 H new ATOM 0 HG2 LYS A 14 74.947 3.730 28.294 1.00 0.00 H new ATOM 0 HG3 LYS A 14 74.457 5.055 29.331 1.00 0.00 H new ATOM 0 HD2 LYS A 14 76.231 6.511 28.308 1.00 0.00 H new ATOM 0 HD3 LYS A 14 76.719 5.186 27.270 1.00 0.00 H new ATOM 0 HE2 LYS A 14 73.910 6.409 27.319 1.00 0.00 H new ATOM 0 HE3 LYS A 14 75.134 6.780 26.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 73.888 5.093 25.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 75.220 4.245 25.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 73.732 4.209 26.582 1.00 0.00 H new ATOM 218 N TYR A 15 76.533 1.092 29.910 1.00 0.00 N ATOM 219 CA TYR A 15 76.301 -0.205 29.205 1.00 0.00 C ATOM 220 C TYR A 15 75.838 -1.265 30.210 1.00 0.00 C ATOM 221 O TYR A 15 75.354 -2.313 29.835 1.00 0.00 O ATOM 222 CB TYR A 15 77.601 -0.660 28.539 1.00 0.00 C ATOM 223 CG TYR A 15 77.919 0.260 27.381 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.180 0.171 26.197 1.00 0.00 C ATOM 225 CD2 TYR A 15 78.951 1.201 27.491 1.00 0.00 C ATOM 226 CE1 TYR A 15 77.470 1.019 25.122 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.243 2.050 26.416 1.00 0.00 C ATOM 228 CZ TYR A 15 78.502 1.957 25.231 1.00 0.00 C ATOM 229 OH TYR A 15 78.789 2.794 24.172 1.00 0.00 O ATOM 0 H TYR A 15 77.495 1.262 30.203 1.00 0.00 H new ATOM 0 HA TYR A 15 75.530 -0.072 28.446 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.417 -0.649 29.262 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.502 -1.687 28.186 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.384 -0.554 26.112 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.522 1.272 28.405 1.00 0.00 H new ATOM 0 HE1 TYR A 15 76.897 0.949 24.209 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.039 2.775 26.501 1.00 0.00 H new ATOM 0 HH TYR A 15 78.542 2.355 23.332 1.00 0.00 H new ATOM 239 N HIS A 16 75.975 -0.992 31.481 1.00 0.00 N ATOM 240 CA HIS A 16 75.528 -1.968 32.523 1.00 0.00 C ATOM 241 C HIS A 16 76.239 -3.314 32.339 1.00 0.00 C ATOM 242 O HIS A 16 77.433 -3.374 32.123 1.00 0.00 O ATOM 243 CB HIS A 16 74.008 -2.161 32.444 1.00 0.00 C ATOM 244 CG HIS A 16 73.324 -0.845 32.688 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.166 0.106 31.690 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.748 -0.309 33.813 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.517 1.155 32.230 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.242 0.950 33.519 1.00 0.00 N ATOM 0 H HIS A 16 76.380 -0.130 31.846 1.00 0.00 H new ATOM 0 HA HIS A 16 75.786 -1.571 33.505 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.730 -2.552 31.465 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.685 -2.894 33.183 1.00 0.00 H new ATOM 0 HD1 HIS A 16 73.483 0.025 30.724 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.696 -0.792 34.778 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.252 2.050 31.687 1.00 0.00 H new ATOM 257 N SER A 17 75.511 -4.395 32.443 1.00 0.00 N ATOM 258 CA SER A 17 76.129 -5.745 32.299 1.00 0.00 C ATOM 259 C SER A 17 76.207 -6.134 30.822 1.00 0.00 C ATOM 260 O SER A 17 76.671 -7.203 30.480 1.00 0.00 O ATOM 261 CB SER A 17 75.274 -6.770 33.047 1.00 0.00 C ATOM 262 OG SER A 17 75.713 -8.080 32.715 1.00 0.00 O ATOM 0 H SER A 17 74.507 -4.400 32.623 1.00 0.00 H new ATOM 0 HA SER A 17 77.136 -5.724 32.715 1.00 0.00 H new ATOM 0 HB2 SER A 17 75.352 -6.610 34.122 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.224 -6.648 32.781 1.00 0.00 H new ATOM 0 HG SER A 17 76.399 -8.028 32.018 1.00 0.00 H new ATOM 268 N ASN A 18 75.754 -5.286 29.939 1.00 0.00 N ATOM 269 CA ASN A 18 75.810 -5.632 28.491 1.00 0.00 C ATOM 270 C ASN A 18 77.213 -5.354 27.955 1.00 0.00 C ATOM 271 O ASN A 18 77.462 -4.347 27.323 1.00 0.00 O ATOM 272 CB ASN A 18 74.798 -4.783 27.721 1.00 0.00 C ATOM 273 CG ASN A 18 73.381 -5.229 28.076 1.00 0.00 C ATOM 274 OD1 ASN A 18 73.179 -6.327 28.556 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.383 -4.422 27.848 1.00 0.00 N ATOM 0 H ASN A 18 75.350 -4.375 30.156 1.00 0.00 H new ATOM 0 HA ASN A 18 75.571 -6.688 28.363 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.931 -3.729 27.966 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.964 -4.884 26.649 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.431 -4.712 28.073 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.554 -3.501 27.445 1.00 0.00 H new ATOM 282 N TRP A 19 78.133 -6.244 28.203 1.00 0.00 N ATOM 283 CA TRP A 19 79.523 -6.038 27.709 1.00 0.00 C ATOM 284 C TRP A 19 79.551 -6.185 26.186 1.00 0.00 C ATOM 285 O TRP A 19 80.414 -5.650 25.519 1.00 0.00 O ATOM 286 CB TRP A 19 80.447 -7.083 28.340 1.00 0.00 C ATOM 287 CG TRP A 19 79.983 -8.455 27.965 1.00 0.00 C ATOM 288 CD1 TRP A 19 79.110 -9.202 28.679 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.344 -9.251 26.799 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.918 -10.407 28.030 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.655 -10.485 26.865 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.197 -9.024 25.702 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.805 -11.459 25.878 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.348 -10.003 24.707 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.655 -11.217 24.794 1.00 0.00 C ATOM 0 H TRP A 19 77.982 -7.106 28.727 1.00 0.00 H new ATOM 0 HA TRP A 19 79.862 -5.039 27.983 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.471 -6.929 28.001 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.450 -6.973 29.424 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.640 -8.905 29.605 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.306 -11.149 28.370 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.738 -8.092 25.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.269 -12.394 25.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 82.003 -9.819 23.869 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.777 -11.965 24.025 1.00 0.00 H new ATOM 306 N ARG A 20 78.620 -6.913 25.633 1.00 0.00 N ATOM 307 CA ARG A 20 78.601 -7.099 24.154 1.00 0.00 C ATOM 308 C ARG A 20 78.463 -5.744 23.459 1.00 0.00 C ATOM 309 O ARG A 20 79.116 -5.476 22.470 1.00 0.00 O ATOM 310 CB ARG A 20 77.416 -7.989 23.771 1.00 0.00 C ATOM 311 CG ARG A 20 77.676 -9.420 24.247 1.00 0.00 C ATOM 312 CD ARG A 20 76.492 -10.312 23.866 1.00 0.00 C ATOM 313 NE ARG A 20 76.723 -11.690 24.384 1.00 0.00 N ATOM 314 CZ ARG A 20 75.731 -12.535 24.460 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.535 -12.175 24.083 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.935 -13.741 24.914 1.00 0.00 N ATOM 0 H ARG A 20 77.872 -7.387 26.140 1.00 0.00 H new ATOM 0 HA ARG A 20 79.533 -7.569 23.840 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.500 -7.606 24.221 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.271 -7.975 22.691 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.592 -9.803 23.797 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.822 -9.434 25.327 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.569 -9.906 24.280 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.373 -10.334 22.783 1.00 0.00 H new ATOM 0 HE ARG A 20 77.657 -11.973 24.679 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.374 -11.232 23.728 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.761 -12.836 24.143 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.870 -14.023 25.209 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.160 -14.401 24.973 1.00 0.00 H new ATOM 330 N ALA A 21 77.621 -4.888 23.965 1.00 0.00 N ATOM 331 CA ALA A 21 77.452 -3.554 23.327 1.00 0.00 C ATOM 332 C ALA A 21 78.749 -2.757 23.479 1.00 0.00 C ATOM 333 O ALA A 21 79.253 -2.181 22.536 1.00 0.00 O ATOM 334 CB ALA A 21 76.301 -2.809 24.010 1.00 0.00 C ATOM 0 H ALA A 21 77.044 -5.053 24.790 1.00 0.00 H new ATOM 0 HA ALA A 21 77.224 -3.675 22.268 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.174 -1.831 23.545 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.381 -3.384 23.903 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.528 -2.681 25.068 1.00 0.00 H new ATOM 340 N MET A 22 79.298 -2.732 24.663 1.00 0.00 N ATOM 341 CA MET A 22 80.572 -1.989 24.889 1.00 0.00 C ATOM 342 C MET A 22 81.674 -2.594 24.015 1.00 0.00 C ATOM 343 O MET A 22 82.424 -1.889 23.369 1.00 0.00 O ATOM 344 CB MET A 22 80.950 -2.106 26.368 1.00 0.00 C ATOM 345 CG MET A 22 82.248 -1.344 26.640 1.00 0.00 C ATOM 346 SD MET A 22 82.552 -1.294 28.426 1.00 0.00 S ATOM 347 CE MET A 22 82.758 -3.073 28.687 1.00 0.00 C ATOM 0 H MET A 22 78.918 -3.196 25.488 1.00 0.00 H new ATOM 0 HA MET A 22 80.450 -0.939 24.625 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.148 -1.707 26.989 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.071 -3.155 26.639 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.081 -1.829 26.131 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.178 -0.331 26.243 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.354 -3.243 29.584 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.780 -3.539 28.808 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.264 -3.511 27.827 1.00 0.00 H new ATOM 357 N ALA A 23 81.771 -3.896 23.983 1.00 0.00 N ATOM 358 CA ALA A 23 82.817 -4.551 23.144 1.00 0.00 C ATOM 359 C ALA A 23 82.613 -4.164 21.677 1.00 0.00 C ATOM 360 O ALA A 23 83.555 -3.924 20.948 1.00 0.00 O ATOM 361 CB ALA A 23 82.698 -6.069 23.287 1.00 0.00 C ATOM 0 H ALA A 23 81.170 -4.536 24.503 1.00 0.00 H new ATOM 0 HA ALA A 23 83.804 -4.225 23.472 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.460 -6.553 22.676 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.839 -6.348 24.331 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.710 -6.389 22.956 1.00 0.00 H new ATOM 367 N SER A 24 81.384 -4.111 21.243 1.00 0.00 N ATOM 368 CA SER A 24 81.095 -3.752 19.825 1.00 0.00 C ATOM 369 C SER A 24 81.496 -2.299 19.566 1.00 0.00 C ATOM 370 O SER A 24 81.985 -1.958 18.507 1.00 0.00 O ATOM 371 CB SER A 24 79.600 -3.920 19.558 1.00 0.00 C ATOM 372 OG SER A 24 79.330 -3.632 18.193 1.00 0.00 O ATOM 0 H SER A 24 80.561 -4.302 21.814 1.00 0.00 H new ATOM 0 HA SER A 24 81.664 -4.405 19.164 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.289 -4.937 19.795 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.027 -3.253 20.202 1.00 0.00 H new ATOM 0 HG SER A 24 78.372 -3.741 18.019 1.00 0.00 H new ATOM 378 N ASP A 25 81.280 -1.439 20.519 1.00 0.00 N ATOM 379 CA ASP A 25 81.633 -0.006 20.324 1.00 0.00 C ATOM 380 C ASP A 25 83.153 0.151 20.294 1.00 0.00 C ATOM 381 O ASP A 25 83.693 0.904 19.508 1.00 0.00 O ATOM 382 CB ASP A 25 81.061 0.809 21.482 1.00 0.00 C ATOM 383 CG ASP A 25 79.536 0.856 21.366 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.040 0.666 20.268 1.00 0.00 O ATOM 385 OD2 ASP A 25 78.892 1.083 22.376 1.00 0.00 O ATOM 0 H ASP A 25 80.874 -1.666 21.427 1.00 0.00 H new ATOM 0 HA ASP A 25 81.218 0.348 19.380 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.351 0.363 22.433 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.469 1.820 21.467 1.00 0.00 H new ATOM 390 N PHE A 26 83.849 -0.562 21.137 1.00 0.00 N ATOM 391 CA PHE A 26 85.340 -0.465 21.152 1.00 0.00 C ATOM 392 C PHE A 26 85.931 -1.579 20.279 1.00 0.00 C ATOM 393 O PHE A 26 87.124 -1.644 20.061 1.00 0.00 O ATOM 394 CB PHE A 26 85.849 -0.608 22.590 1.00 0.00 C ATOM 395 CG PHE A 26 85.584 0.670 23.357 1.00 0.00 C ATOM 396 CD1 PHE A 26 86.538 1.696 23.347 1.00 0.00 C ATOM 397 CD2 PHE A 26 84.391 0.831 24.078 1.00 0.00 C ATOM 398 CE1 PHE A 26 86.304 2.881 24.056 1.00 0.00 C ATOM 399 CE2 PHE A 26 84.159 2.018 24.789 1.00 0.00 C ATOM 400 CZ PHE A 26 85.115 3.043 24.778 1.00 0.00 C ATOM 0 H PHE A 26 83.451 -1.209 21.818 1.00 0.00 H new ATOM 0 HA PHE A 26 85.647 0.504 20.758 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.353 -1.446 23.079 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.917 -0.827 22.588 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.456 1.573 22.791 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.653 0.043 24.086 1.00 0.00 H new ATOM 0 HE1 PHE A 26 87.041 3.670 24.046 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.242 2.142 25.346 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.935 3.956 25.326 1.00 0.00 H new ATOM 410 N ASN A 27 85.099 -2.447 19.764 1.00 0.00 N ATOM 411 CA ASN A 27 85.602 -3.549 18.890 1.00 0.00 C ATOM 412 C ASN A 27 86.749 -4.292 19.578 1.00 0.00 C ATOM 413 O ASN A 27 87.780 -4.538 18.982 1.00 0.00 O ATOM 414 CB ASN A 27 86.103 -2.964 17.568 1.00 0.00 C ATOM 415 CG ASN A 27 84.944 -2.288 16.834 1.00 0.00 C ATOM 416 OD1 ASN A 27 85.054 -1.153 16.415 1.00 0.00 O ATOM 417 ND2 ASN A 27 83.829 -2.943 16.661 1.00 0.00 N ATOM 0 H ASN A 27 84.090 -2.440 19.912 1.00 0.00 H new ATOM 0 HA ASN A 27 84.787 -4.248 18.702 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.898 -2.242 17.756 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.529 -3.753 16.948 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.049 -2.502 16.174 1.00 0.00 H new ATOM 0 HD22 ASN A 27 83.737 -3.896 17.013 1.00 0.00 H new ATOM 424 N LEU A 28 86.581 -4.655 20.828 1.00 0.00 N ATOM 425 CA LEU A 28 87.664 -5.389 21.564 1.00 0.00 C ATOM 426 C LEU A 28 87.207 -6.831 21.862 1.00 0.00 C ATOM 427 O LEU A 28 86.123 -7.032 22.374 1.00 0.00 O ATOM 428 CB LEU A 28 87.920 -4.686 22.896 1.00 0.00 C ATOM 429 CG LEU A 28 88.602 -3.331 22.658 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.489 -2.484 23.929 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.089 -3.530 22.298 1.00 0.00 C ATOM 0 H LEU A 28 85.738 -4.474 21.373 1.00 0.00 H new ATOM 0 HA LEU A 28 88.567 -5.404 20.954 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.978 -4.539 23.425 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.548 -5.311 23.531 1.00 0.00 H new ATOM 0 HG LEU A 28 88.109 -2.825 21.828 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.971 -1.520 23.768 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.437 -2.328 24.170 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.978 -3.000 24.755 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.556 -2.559 22.133 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.596 -4.042 23.116 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.167 -4.129 21.391 1.00 0.00 H new ATOM 443 N PRO A 29 88.014 -7.838 21.572 1.00 0.00 N ATOM 444 CA PRO A 29 87.636 -9.254 21.857 1.00 0.00 C ATOM 445 C PRO A 29 86.997 -9.411 23.258 1.00 0.00 C ATOM 446 O PRO A 29 87.426 -8.778 24.202 1.00 0.00 O ATOM 447 CB PRO A 29 88.978 -9.994 21.799 1.00 0.00 C ATOM 448 CG PRO A 29 89.796 -9.222 20.816 1.00 0.00 C ATOM 449 CD PRO A 29 89.349 -7.757 20.939 1.00 0.00 C ATOM 0 HA PRO A 29 86.893 -9.632 21.155 1.00 0.00 H new ATOM 0 HB2 PRO A 29 89.457 -10.022 22.778 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.846 -11.028 21.479 1.00 0.00 H new ATOM 0 HG2 PRO A 29 90.860 -9.323 21.031 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.639 -9.593 19.803 1.00 0.00 H new ATOM 0 HD2 PRO A 29 90.044 -7.178 21.547 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.299 -7.272 19.964 1.00 0.00 H new ATOM 457 N PRO A 30 85.987 -10.245 23.403 1.00 0.00 N ATOM 458 CA PRO A 30 85.312 -10.465 24.717 1.00 0.00 C ATOM 459 C PRO A 30 86.294 -10.510 25.899 1.00 0.00 C ATOM 460 O PRO A 30 85.913 -10.318 27.037 1.00 0.00 O ATOM 461 CB PRO A 30 84.633 -11.828 24.540 1.00 0.00 C ATOM 462 CG PRO A 30 84.326 -11.929 23.076 1.00 0.00 C ATOM 463 CD PRO A 30 85.371 -11.069 22.341 1.00 0.00 C ATOM 0 HA PRO A 30 84.628 -9.651 24.956 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.287 -12.638 24.862 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.724 -11.896 25.138 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.374 -12.965 22.742 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.317 -11.573 22.867 1.00 0.00 H new ATOM 0 HD2 PRO A 30 86.114 -11.690 21.839 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.906 -10.447 21.576 1.00 0.00 H new ATOM 471 N VAL A 31 87.544 -10.791 25.646 1.00 0.00 N ATOM 472 CA VAL A 31 88.526 -10.879 26.767 1.00 0.00 C ATOM 473 C VAL A 31 88.607 -9.545 27.519 1.00 0.00 C ATOM 474 O VAL A 31 88.522 -9.500 28.729 1.00 0.00 O ATOM 475 CB VAL A 31 89.909 -11.229 26.199 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.988 -11.084 27.283 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.898 -12.676 25.696 1.00 0.00 C ATOM 0 H VAL A 31 87.927 -10.963 24.716 1.00 0.00 H new ATOM 0 HA VAL A 31 88.200 -11.652 27.463 1.00 0.00 H new ATOM 0 HB VAL A 31 90.134 -10.547 25.380 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.962 -11.336 26.863 1.00 0.00 H new ATOM 0 HG12 VAL A 31 91.004 -10.056 27.645 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.765 -11.757 28.111 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.878 -12.928 25.292 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.663 -13.347 26.522 1.00 0.00 H new ATOM 0 HG23 VAL A 31 89.145 -12.784 24.915 1.00 0.00 H new ATOM 487 N VAL A 32 88.785 -8.463 26.823 1.00 0.00 N ATOM 488 CA VAL A 32 88.889 -7.150 27.516 1.00 0.00 C ATOM 489 C VAL A 32 87.522 -6.713 28.042 1.00 0.00 C ATOM 490 O VAL A 32 87.408 -6.192 29.132 1.00 0.00 O ATOM 491 CB VAL A 32 89.413 -6.106 26.536 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.414 -4.731 27.200 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.835 -6.473 26.116 1.00 0.00 C ATOM 0 H VAL A 32 88.863 -8.428 25.807 1.00 0.00 H new ATOM 0 HA VAL A 32 89.573 -7.247 28.359 1.00 0.00 H new ATOM 0 HB VAL A 32 88.769 -6.079 25.657 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.789 -3.988 26.497 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.398 -4.470 27.497 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.055 -4.753 28.081 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.211 -5.728 25.415 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.478 -6.502 26.996 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.832 -7.452 25.637 1.00 0.00 H new ATOM 503 N ALA A 33 86.484 -6.907 27.277 1.00 0.00 N ATOM 504 CA ALA A 33 85.136 -6.475 27.743 1.00 0.00 C ATOM 505 C ALA A 33 84.787 -7.207 29.040 1.00 0.00 C ATOM 506 O ALA A 33 84.423 -6.599 30.027 1.00 0.00 O ATOM 507 CB ALA A 33 84.102 -6.792 26.657 1.00 0.00 C ATOM 0 H ALA A 33 86.509 -7.343 26.355 1.00 0.00 H new ATOM 0 HA ALA A 33 85.134 -5.402 27.934 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.114 -6.478 26.993 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.361 -6.259 25.742 1.00 0.00 H new ATOM 0 HB3 ALA A 33 84.095 -7.865 26.463 1.00 0.00 H new ATOM 513 N LYS A 34 84.910 -8.502 29.055 1.00 0.00 N ATOM 514 CA LYS A 34 84.603 -9.258 30.300 1.00 0.00 C ATOM 515 C LYS A 34 85.519 -8.786 31.428 1.00 0.00 C ATOM 516 O LYS A 34 85.106 -8.660 32.563 1.00 0.00 O ATOM 517 CB LYS A 34 84.800 -10.757 30.071 1.00 0.00 C ATOM 518 CG LYS A 34 83.696 -11.283 29.152 1.00 0.00 C ATOM 519 CD LYS A 34 83.892 -12.783 28.920 1.00 0.00 C ATOM 520 CE LYS A 34 82.774 -13.308 28.017 1.00 0.00 C ATOM 521 NZ LYS A 34 82.908 -14.786 27.868 1.00 0.00 N ATOM 0 H LYS A 34 85.209 -9.070 28.262 1.00 0.00 H new ATOM 0 HA LYS A 34 83.564 -9.076 30.575 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.777 -10.942 29.625 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.778 -11.287 31.023 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.719 -11.098 29.598 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.717 -10.752 28.200 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.863 -12.967 28.460 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.885 -13.313 29.872 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.802 -13.061 28.443 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.825 -12.827 27.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.148 -15.143 27.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.830 -15.010 27.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.839 -15.237 28.803 1.00 0.00 H new ATOM 535 N GLU A 35 86.764 -8.541 31.130 1.00 0.00 N ATOM 536 CA GLU A 35 87.708 -8.096 32.194 1.00 0.00 C ATOM 537 C GLU A 35 87.242 -6.769 32.791 1.00 0.00 C ATOM 538 O GLU A 35 87.317 -6.564 33.986 1.00 0.00 O ATOM 539 CB GLU A 35 89.105 -7.909 31.601 1.00 0.00 C ATOM 540 CG GLU A 35 90.111 -7.621 32.728 1.00 0.00 C ATOM 541 CD GLU A 35 90.015 -6.152 33.148 1.00 0.00 C ATOM 542 OE1 GLU A 35 90.159 -5.299 32.288 1.00 0.00 O ATOM 543 OE2 GLU A 35 89.795 -5.906 34.323 1.00 0.00 O ATOM 0 H GLU A 35 87.169 -8.629 30.198 1.00 0.00 H new ATOM 0 HA GLU A 35 87.735 -8.856 32.975 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.402 -8.805 31.055 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.100 -7.087 30.886 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.908 -8.267 33.582 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.123 -7.847 32.391 1.00 0.00 H new ATOM 550 N ILE A 36 86.765 -5.863 31.985 1.00 0.00 N ATOM 551 CA ILE A 36 86.307 -4.564 32.545 1.00 0.00 C ATOM 552 C ILE A 36 85.183 -4.855 33.537 1.00 0.00 C ATOM 553 O ILE A 36 85.122 -4.288 34.611 1.00 0.00 O ATOM 554 CB ILE A 36 85.810 -3.660 31.416 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.996 -3.268 30.527 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.194 -2.394 32.010 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.482 -2.589 29.256 1.00 0.00 C ATOM 0 H ILE A 36 86.673 -5.964 30.974 1.00 0.00 H new ATOM 0 HA ILE A 36 87.125 -4.050 33.050 1.00 0.00 H new ATOM 0 HB ILE A 36 85.062 -4.191 30.827 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.662 -2.595 31.067 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.578 -4.153 30.269 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.840 -1.750 31.205 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.357 -2.664 32.654 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.945 -1.864 32.595 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.326 -2.311 28.625 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.834 -3.277 28.713 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.919 -1.695 29.523 1.00 0.00 H new ATOM 569 N VAL A 37 84.318 -5.771 33.200 1.00 0.00 N ATOM 570 CA VAL A 37 83.223 -6.147 34.134 1.00 0.00 C ATOM 571 C VAL A 37 83.862 -6.831 35.344 1.00 0.00 C ATOM 572 O VAL A 37 83.471 -6.624 36.476 1.00 0.00 O ATOM 573 CB VAL A 37 82.266 -7.119 33.433 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.283 -7.704 34.451 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.489 -6.372 32.345 1.00 0.00 C ATOM 0 H VAL A 37 84.323 -6.277 32.314 1.00 0.00 H new ATOM 0 HA VAL A 37 82.660 -5.267 34.446 1.00 0.00 H new ATOM 0 HB VAL A 37 82.841 -7.928 32.983 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.605 -8.394 33.948 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.835 -8.237 35.225 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.708 -6.898 34.906 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.808 -7.061 31.846 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.917 -5.562 32.797 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.188 -5.961 31.616 1.00 0.00 H new ATOM 585 N ALA A 38 84.852 -7.646 35.097 1.00 0.00 N ATOM 586 CA ALA A 38 85.547 -8.360 36.205 1.00 0.00 C ATOM 587 C ALA A 38 86.125 -7.343 37.193 1.00 0.00 C ATOM 588 O ALA A 38 86.393 -7.660 38.335 1.00 0.00 O ATOM 589 CB ALA A 38 86.682 -9.209 35.625 1.00 0.00 C ATOM 0 H ALA A 38 85.212 -7.849 34.165 1.00 0.00 H new ATOM 0 HA ALA A 38 84.836 -9.002 36.725 1.00 0.00 H new ATOM 0 HB1 ALA A 38 87.193 -9.733 36.432 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.271 -9.935 34.924 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.390 -8.564 35.106 1.00 0.00 H new ATOM 595 N SER A 39 86.319 -6.121 36.767 1.00 0.00 N ATOM 596 CA SER A 39 86.879 -5.090 37.690 1.00 0.00 C ATOM 597 C SER A 39 85.723 -4.390 38.400 1.00 0.00 C ATOM 598 O SER A 39 85.736 -4.212 39.601 1.00 0.00 O ATOM 599 CB SER A 39 87.684 -4.067 36.888 1.00 0.00 C ATOM 600 OG SER A 39 88.822 -4.703 36.322 1.00 0.00 O ATOM 0 H SER A 39 86.114 -5.794 35.823 1.00 0.00 H new ATOM 0 HA SER A 39 87.534 -5.562 38.422 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.065 -3.636 36.101 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.996 -3.246 37.533 1.00 0.00 H new ATOM 0 HG SER A 39 88.599 -5.036 35.428 1.00 0.00 H new ATOM 606 N CYS A 40 84.707 -4.018 37.673 1.00 0.00 N ATOM 607 CA CYS A 40 83.540 -3.363 38.322 1.00 0.00 C ATOM 608 C CYS A 40 82.965 -4.342 39.347 1.00 0.00 C ATOM 609 O CYS A 40 82.692 -5.484 39.036 1.00 0.00 O ATOM 610 CB CYS A 40 82.488 -3.032 37.263 1.00 0.00 C ATOM 611 SG CYS A 40 81.295 -1.850 37.938 1.00 0.00 S ATOM 0 H CYS A 40 84.635 -4.139 36.663 1.00 0.00 H new ATOM 0 HA CYS A 40 83.839 -2.437 38.814 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.968 -2.614 36.378 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.976 -3.941 36.949 1.00 0.00 H new ATOM 616 N ASP A 41 82.805 -3.923 40.570 1.00 0.00 N ATOM 617 CA ASP A 41 82.279 -4.854 41.608 1.00 0.00 C ATOM 618 C ASP A 41 80.757 -4.998 41.489 1.00 0.00 C ATOM 619 O ASP A 41 80.196 -6.008 41.862 1.00 0.00 O ATOM 620 CB ASP A 41 82.628 -4.306 42.993 1.00 0.00 C ATOM 621 CG ASP A 41 84.137 -4.418 43.220 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.755 -5.243 42.568 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.647 -3.675 44.042 1.00 0.00 O ATOM 0 H ASP A 41 83.015 -2.980 40.896 1.00 0.00 H new ATOM 0 HA ASP A 41 82.733 -5.834 41.463 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.313 -3.266 43.074 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.091 -4.862 43.762 1.00 0.00 H new ATOM 628 N LYS A 42 80.081 -3.996 40.998 1.00 0.00 N ATOM 629 CA LYS A 42 78.595 -4.091 40.891 1.00 0.00 C ATOM 630 C LYS A 42 78.188 -5.014 39.732 1.00 0.00 C ATOM 631 O LYS A 42 77.279 -5.810 39.857 1.00 0.00 O ATOM 632 CB LYS A 42 78.016 -2.695 40.645 1.00 0.00 C ATOM 633 CG LYS A 42 78.213 -1.827 41.891 1.00 0.00 C ATOM 634 CD LYS A 42 77.632 -0.433 41.637 1.00 0.00 C ATOM 635 CE LYS A 42 77.867 0.456 42.861 1.00 0.00 C ATOM 636 NZ LYS A 42 76.955 0.045 43.966 1.00 0.00 N ATOM 0 H LYS A 42 80.488 -3.121 40.668 1.00 0.00 H new ATOM 0 HA LYS A 42 78.206 -4.504 41.822 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.506 -2.234 39.788 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.955 -2.768 40.405 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.723 -2.287 42.749 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.273 -1.753 42.132 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.099 0.011 40.758 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.565 -0.506 41.428 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.905 0.377 43.185 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.692 1.500 42.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.995 0.750 44.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 75.981 -0.021 43.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.251 -0.881 44.334 1.00 0.00 H new ATOM 650 N CYS A 43 78.836 -4.902 38.603 1.00 0.00 N ATOM 651 CA CYS A 43 78.462 -5.763 37.439 1.00 0.00 C ATOM 652 C CYS A 43 79.075 -7.161 37.570 1.00 0.00 C ATOM 653 O CYS A 43 78.585 -8.112 36.993 1.00 0.00 O ATOM 654 CB CYS A 43 78.954 -5.115 36.143 1.00 0.00 C ATOM 655 SG CYS A 43 78.040 -3.580 35.847 1.00 0.00 S ATOM 0 H CYS A 43 79.606 -4.254 38.435 1.00 0.00 H new ATOM 0 HA CYS A 43 77.376 -5.860 37.420 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.022 -4.907 36.211 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.815 -5.800 35.306 1.00 0.00 H new ATOM 660 N GLN A 44 80.150 -7.301 38.297 1.00 0.00 N ATOM 661 CA GLN A 44 80.782 -8.648 38.421 1.00 0.00 C ATOM 662 C GLN A 44 79.864 -9.593 39.198 1.00 0.00 C ATOM 663 O GLN A 44 79.605 -10.703 38.777 1.00 0.00 O ATOM 664 CB GLN A 44 82.122 -8.521 39.149 1.00 0.00 C ATOM 665 CG GLN A 44 82.792 -9.895 39.234 1.00 0.00 C ATOM 666 CD GLN A 44 84.174 -9.750 39.872 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.370 -8.818 40.763 1.00 0.00 O flip ATOM 668 NE2 GLN A 44 85.081 -10.495 39.559 1.00 0.00 N flip ATOM 0 H GLN A 44 80.615 -6.550 38.806 1.00 0.00 H new ATOM 0 HA GLN A 44 80.946 -9.055 37.423 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.770 -7.821 38.621 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.967 -8.118 40.150 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.177 -10.575 39.823 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.883 -10.329 38.238 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.925 -11.223 38.862 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.998 -10.392 39.993 1.00 0.00 H new ATOM 677 N LEU A 45 79.364 -9.167 40.324 1.00 0.00 N ATOM 678 CA LEU A 45 78.456 -10.047 41.119 1.00 0.00 C ATOM 679 C LEU A 45 77.018 -9.837 40.647 1.00 0.00 C ATOM 680 O LEU A 45 76.496 -8.740 40.687 1.00 0.00 O ATOM 681 CB LEU A 45 78.558 -9.691 42.605 1.00 0.00 C ATOM 682 CG LEU A 45 79.995 -9.903 43.104 1.00 0.00 C ATOM 683 CD1 LEU A 45 80.106 -9.375 44.537 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.356 -11.402 43.079 1.00 0.00 C ATOM 0 H LEU A 45 79.543 -8.249 40.730 1.00 0.00 H new ATOM 0 HA LEU A 45 78.745 -11.088 40.979 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.261 -8.654 42.759 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.870 -10.309 43.182 1.00 0.00 H new ATOM 0 HG LEU A 45 80.685 -9.367 42.452 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.123 -9.521 44.901 1.00 0.00 H new ATOM 0 HD12 LEU A 45 79.864 -8.312 44.553 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.410 -9.915 45.179 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.377 -11.536 43.435 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.671 -11.952 43.724 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.275 -11.779 42.059 1.00 0.00 H new ATOM 696 N LYS A 46 76.372 -10.877 40.197 1.00 0.00 N ATOM 697 CA LYS A 46 74.970 -10.729 39.722 1.00 0.00 C ATOM 698 C LYS A 46 74.024 -10.707 40.923 1.00 0.00 C ATOM 699 O LYS A 46 73.439 -9.694 41.250 1.00 0.00 O ATOM 700 CB LYS A 46 74.607 -11.905 38.818 1.00 0.00 C ATOM 701 CG LYS A 46 73.251 -11.637 38.166 1.00 0.00 C ATOM 702 CD LYS A 46 72.874 -12.807 37.258 1.00 0.00 C ATOM 703 CE LYS A 46 71.526 -12.520 36.598 1.00 0.00 C ATOM 704 NZ LYS A 46 70.443 -12.618 37.617 1.00 0.00 N ATOM 0 H LYS A 46 76.754 -11.821 40.138 1.00 0.00 H new ATOM 0 HA LYS A 46 74.876 -9.798 39.164 1.00 0.00 H new ATOM 0 HB2 LYS A 46 75.371 -12.041 38.053 1.00 0.00 H new ATOM 0 HB3 LYS A 46 74.569 -12.827 39.398 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.489 -11.500 38.933 1.00 0.00 H new ATOM 0 HG3 LYS A 46 73.291 -10.714 37.588 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.641 -12.953 36.497 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.819 -13.729 37.837 1.00 0.00 H new ATOM 0 HE2 LYS A 46 71.532 -11.525 36.152 1.00 0.00 H new ATOM 0 HE3 LYS A 46 71.346 -13.230 35.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 69.521 -12.677 37.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 70.588 -13.469 38.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 70.463 -11.776 38.227 1.00 0.00 H new ATOM 718 N GLY A 47 73.869 -11.822 41.577 1.00 0.00 N ATOM 719 CA GLY A 47 72.962 -11.878 42.757 1.00 0.00 C ATOM 720 C GLY A 47 72.767 -13.334 43.180 1.00 0.00 C ATOM 721 O GLY A 47 71.874 -13.658 43.937 1.00 0.00 O ATOM 0 H GLY A 47 74.332 -12.701 41.345 1.00 0.00 H new ATOM 0 HA2 GLY A 47 73.383 -11.302 43.581 1.00 0.00 H new ATOM 0 HA3 GLY A 47 72.000 -11.427 42.512 1.00 0.00 H new ATOM 725 N GLU A 48 73.602 -14.216 42.697 1.00 0.00 N ATOM 726 CA GLU A 48 73.477 -15.657 43.067 1.00 0.00 C ATOM 727 C GLU A 48 74.219 -15.909 44.380 1.00 0.00 C ATOM 728 O GLU A 48 74.852 -16.930 44.557 1.00 0.00 O ATOM 729 CB GLU A 48 74.092 -16.526 41.967 1.00 0.00 C ATOM 730 CG GLU A 48 73.210 -16.484 40.718 1.00 0.00 C ATOM 731 CD GLU A 48 73.840 -17.346 39.622 1.00 0.00 C ATOM 732 OE1 GLU A 48 74.656 -16.823 38.881 1.00 0.00 O ATOM 733 OE2 GLU A 48 73.496 -18.514 39.543 1.00 0.00 O ATOM 0 H GLU A 48 74.368 -14.000 42.060 1.00 0.00 H new ATOM 0 HA GLU A 48 72.423 -15.910 43.184 1.00 0.00 H new ATOM 0 HB2 GLU A 48 75.094 -16.170 41.728 1.00 0.00 H new ATOM 0 HB3 GLU A 48 74.194 -17.553 42.317 1.00 0.00 H new ATOM 0 HG2 GLU A 48 72.210 -16.849 40.953 1.00 0.00 H new ATOM 0 HG3 GLU A 48 73.101 -15.457 40.371 1.00 0.00 H new ATOM 740 N ALA A 49 74.154 -14.985 45.300 1.00 0.00 N ATOM 741 CA ALA A 49 74.865 -15.175 46.597 1.00 0.00 C ATOM 742 C ALA A 49 74.172 -16.272 47.402 1.00 0.00 C ATOM 743 O ALA A 49 73.060 -16.663 47.109 1.00 0.00 O ATOM 744 CB ALA A 49 74.840 -13.870 47.394 1.00 0.00 C ATOM 0 H ALA A 49 73.640 -14.108 45.210 1.00 0.00 H new ATOM 0 HA ALA A 49 75.899 -15.461 46.402 1.00 0.00 H new ATOM 0 HB1 ALA A 49 75.360 -14.012 48.341 1.00 0.00 H new ATOM 0 HB2 ALA A 49 75.335 -13.085 46.822 1.00 0.00 H new ATOM 0 HB3 ALA A 49 73.807 -13.581 47.587 1.00 0.00 H new ATOM 750 N MET A 50 74.829 -16.783 48.406 1.00 0.00 N ATOM 751 CA MET A 50 74.213 -17.866 49.222 1.00 0.00 C ATOM 752 C MET A 50 73.907 -19.049 48.302 1.00 0.00 C ATOM 753 O MET A 50 72.913 -19.730 48.453 1.00 0.00 O ATOM 754 CB MET A 50 72.918 -17.350 49.865 1.00 0.00 C ATOM 755 CG MET A 50 72.547 -18.237 51.057 1.00 0.00 C ATOM 756 SD MET A 50 71.062 -17.582 51.857 1.00 0.00 S ATOM 757 CE MET A 50 71.136 -18.618 53.340 1.00 0.00 C ATOM 0 H MET A 50 75.764 -16.498 48.696 1.00 0.00 H new ATOM 0 HA MET A 50 74.895 -18.180 50.013 1.00 0.00 H new ATOM 0 HB2 MET A 50 73.049 -16.319 50.193 1.00 0.00 H new ATOM 0 HB3 MET A 50 72.111 -17.352 49.133 1.00 0.00 H new ATOM 0 HG2 MET A 50 72.372 -19.260 50.723 1.00 0.00 H new ATOM 0 HG3 MET A 50 73.372 -18.271 51.769 1.00 0.00 H new ATOM 0 HE1 MET A 50 70.296 -18.380 53.993 1.00 0.00 H new ATOM 0 HE2 MET A 50 71.086 -19.668 53.053 1.00 0.00 H new ATOM 0 HE3 MET A 50 72.071 -18.431 53.868 1.00 0.00 H new ATOM 767 N HIS A 51 74.760 -19.289 47.344 1.00 0.00 N ATOM 768 CA HIS A 51 74.532 -20.417 46.399 1.00 0.00 C ATOM 769 C HIS A 51 75.033 -21.720 47.025 1.00 0.00 C ATOM 770 O HIS A 51 75.847 -21.714 47.927 1.00 0.00 O ATOM 771 CB HIS A 51 75.306 -20.148 45.107 1.00 0.00 C ATOM 772 CG HIS A 51 76.723 -19.774 45.447 1.00 0.00 C ATOM 773 ND1 HIS A 51 77.322 -18.560 45.682 1.00 0.00 N flip ATOM 774 CD2 HIS A 51 77.724 -20.725 45.592 1.00 0.00 C flip ATOM 775 CE1 HIS A 51 78.668 -18.754 45.967 1.00 0.00 C flip ATOM 776 NE2 HIS A 51 78.862 -20.072 45.901 1.00 0.00 N flip ATOM 0 H HIS A 51 75.609 -18.749 47.175 1.00 0.00 H new ATOM 0 HA HIS A 51 73.467 -20.505 46.184 1.00 0.00 H new ATOM 0 HB2 HIS A 51 75.294 -21.033 44.471 1.00 0.00 H new ATOM 0 HB3 HIS A 51 74.830 -19.345 44.545 1.00 0.00 H new ATOM 0 HD2 HIS A 51 77.611 -21.793 45.478 1.00 0.00 H new ATOM 0 HE1 HIS A 51 79.403 -17.996 46.194 1.00 0.00 H new ATOM 0 HE2 HIS A 51 79.759 -20.529 46.064 1.00 0.00 H new ATOM 785 N GLY A 52 74.551 -22.838 46.555 1.00 0.00 N ATOM 786 CA GLY A 52 74.997 -24.141 47.125 1.00 0.00 C ATOM 787 C GLY A 52 74.643 -24.195 48.611 1.00 0.00 C ATOM 788 O GLY A 52 75.425 -23.813 49.460 1.00 0.00 O ATOM 0 H GLY A 52 73.868 -22.905 45.801 1.00 0.00 H new ATOM 0 HA2 GLY A 52 74.518 -24.965 46.596 1.00 0.00 H new ATOM 0 HA3 GLY A 52 76.072 -24.259 46.992 1.00 0.00 H new ATOM 792 N GLN A 53 73.468 -24.663 48.936 1.00 0.00 N ATOM 793 CA GLN A 53 73.064 -24.734 50.368 1.00 0.00 C ATOM 794 C GLN A 53 73.718 -25.957 51.018 1.00 0.00 C ATOM 795 O GLN A 53 73.919 -26.976 50.387 1.00 0.00 O ATOM 796 CB GLN A 53 71.540 -24.850 50.458 1.00 0.00 C ATOM 797 CG GLN A 53 71.108 -24.908 51.925 1.00 0.00 C ATOM 798 CD GLN A 53 69.581 -24.935 52.004 1.00 0.00 C ATOM 799 OE1 GLN A 53 68.907 -24.732 51.015 1.00 0.00 O ATOM 800 NE2 GLN A 53 69.002 -25.165 53.151 1.00 0.00 N ATOM 0 H GLN A 53 72.771 -24.999 48.271 1.00 0.00 H new ATOM 0 HA GLN A 53 73.388 -23.833 50.889 1.00 0.00 H new ATOM 0 HB2 GLN A 53 71.072 -23.998 49.965 1.00 0.00 H new ATOM 0 HB3 GLN A 53 71.203 -25.745 49.935 1.00 0.00 H new ATOM 0 HG2 GLN A 53 71.524 -25.795 52.403 1.00 0.00 H new ATOM 0 HG3 GLN A 53 71.496 -24.044 52.464 1.00 0.00 H new ATOM 0 HE21 GLN A 53 69.567 -25.336 53.983 1.00 0.00 H new ATOM 0 HE22 GLN A 53 67.984 -25.174 53.216 1.00 0.00 H new ATOM 809 N VAL A 54 74.060 -25.861 52.278 1.00 0.00 N ATOM 810 CA VAL A 54 74.710 -27.013 52.977 1.00 0.00 C ATOM 811 C VAL A 54 73.649 -27.832 53.716 1.00 0.00 C ATOM 812 O VAL A 54 72.756 -27.293 54.338 1.00 0.00 O ATOM 813 CB VAL A 54 75.734 -26.478 53.982 1.00 0.00 C ATOM 814 CG1 VAL A 54 75.028 -25.604 55.020 1.00 0.00 C ATOM 815 CG2 VAL A 54 76.422 -27.651 54.685 1.00 0.00 C ATOM 0 H VAL A 54 73.917 -25.032 52.855 1.00 0.00 H new ATOM 0 HA VAL A 54 75.209 -27.649 52.246 1.00 0.00 H new ATOM 0 HB VAL A 54 76.479 -25.882 53.455 1.00 0.00 H new ATOM 0 HG11 VAL A 54 75.759 -25.225 55.734 1.00 0.00 H new ATOM 0 HG12 VAL A 54 74.541 -24.767 54.520 1.00 0.00 H new ATOM 0 HG13 VAL A 54 74.280 -26.197 55.547 1.00 0.00 H new ATOM 0 HG21 VAL A 54 77.151 -27.270 55.400 1.00 0.00 H new ATOM 0 HG22 VAL A 54 75.677 -28.248 55.210 1.00 0.00 H new ATOM 0 HG23 VAL A 54 76.929 -28.271 53.946 1.00 0.00 H new ATOM 825 N ASP A 55 73.742 -29.136 53.652 1.00 0.00 N ATOM 826 CA ASP A 55 72.741 -29.998 54.350 1.00 0.00 C ATOM 827 C ASP A 55 73.410 -31.307 54.778 1.00 0.00 C ATOM 828 O ASP A 55 74.370 -31.696 54.135 1.00 0.00 O ATOM 829 CB ASP A 55 71.579 -30.306 53.401 1.00 0.00 C ATOM 830 CG ASP A 55 72.082 -31.158 52.234 1.00 0.00 C ATOM 831 OD1 ASP A 55 73.242 -31.023 51.882 1.00 0.00 O ATOM 832 OD2 ASP A 55 71.296 -31.932 51.711 1.00 0.00 O ATOM 833 OXT ASP A 55 72.948 -31.898 55.741 1.00 0.00 O ATOM 0 H ASP A 55 74.469 -29.641 53.146 1.00 0.00 H new ATOM 0 HA ASP A 55 72.362 -29.476 55.229 1.00 0.00 H new ATOM 0 HB2 ASP A 55 70.789 -30.834 53.936 1.00 0.00 H new ATOM 0 HB3 ASP A 55 71.146 -29.378 53.027 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 96.052 -11.130 22.961 1.00 0.00 N ATOM 840 CA PHE B 1 95.132 -12.285 23.165 1.00 0.00 C ATOM 841 C PHE B 1 95.697 -13.501 22.437 1.00 0.00 C ATOM 842 O PHE B 1 95.624 -13.609 21.230 1.00 0.00 O ATOM 843 CB PHE B 1 93.751 -11.934 22.615 1.00 0.00 C ATOM 844 CG PHE B 1 93.414 -10.509 22.999 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.171 -10.184 24.339 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.357 -9.510 22.016 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.868 -8.866 24.696 1.00 0.00 C ATOM 848 CE2 PHE B 1 93.055 -8.190 22.376 1.00 0.00 C ATOM 849 CZ PHE B 1 92.809 -7.869 23.716 1.00 0.00 C ATOM 0 H1 PHE B 1 95.497 -10.255 22.876 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.698 -11.053 23.772 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.604 -11.275 22.092 1.00 0.00 H new ATOM 0 HA PHE B 1 95.041 -12.511 24.227 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.739 -12.044 21.531 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.002 -12.618 23.014 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.218 -10.951 25.097 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.546 -9.758 20.982 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.679 -8.617 25.730 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.012 -7.420 21.620 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.574 -6.852 23.993 1.00 0.00 H new ATOM 861 N LEU B 2 96.289 -14.406 23.172 1.00 0.00 N ATOM 862 CA LEU B 2 96.901 -15.616 22.547 1.00 0.00 C ATOM 863 C LEU B 2 96.007 -16.838 22.713 1.00 0.00 C ATOM 864 O LEU B 2 95.377 -17.034 23.728 1.00 0.00 O ATOM 865 CB LEU B 2 98.258 -15.888 23.202 1.00 0.00 C ATOM 866 CG LEU B 2 99.129 -14.626 23.135 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.482 -14.910 23.794 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.345 -14.211 21.670 1.00 0.00 C ATOM 0 H LEU B 2 96.375 -14.358 24.187 1.00 0.00 H new ATOM 0 HA LEU B 2 97.024 -15.427 21.481 1.00 0.00 H new ATOM 0 HB2 LEU B 2 98.117 -16.189 24.240 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.758 -16.714 22.695 1.00 0.00 H new ATOM 0 HG LEU B 2 98.627 -13.814 23.662 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.104 -14.016 23.748 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.327 -15.192 24.836 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.979 -15.725 23.268 1.00 0.00 H new ATOM 0 HD21 LEU B 2 99.964 -13.315 21.633 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.843 -15.018 21.133 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.381 -14.006 21.204 1.00 0.00 H new ATOM 880 N ASP B 3 95.975 -17.670 21.710 1.00 0.00 N ATOM 881 CA ASP B 3 95.151 -18.907 21.779 1.00 0.00 C ATOM 882 C ASP B 3 95.641 -19.749 22.953 1.00 0.00 C ATOM 883 O ASP B 3 94.865 -20.367 23.654 1.00 0.00 O ATOM 884 CB ASP B 3 95.299 -19.700 20.478 1.00 0.00 C ATOM 885 CG ASP B 3 94.574 -18.970 19.346 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.675 -18.200 19.644 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.929 -19.192 18.200 1.00 0.00 O ATOM 0 H ASP B 3 96.489 -17.544 20.838 1.00 0.00 H new ATOM 0 HA ASP B 3 94.101 -18.649 21.916 1.00 0.00 H new ATOM 0 HB2 ASP B 3 96.354 -19.819 20.231 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.886 -20.701 20.602 1.00 0.00 H new ATOM 892 N GLY B 4 96.928 -19.767 23.183 1.00 0.00 N ATOM 893 CA GLY B 4 97.472 -20.556 24.327 1.00 0.00 C ATOM 894 C GLY B 4 96.661 -20.232 25.585 1.00 0.00 C ATOM 895 O GLY B 4 96.737 -20.917 26.583 1.00 0.00 O ATOM 0 H GLY B 4 97.625 -19.270 22.629 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.418 -21.623 24.108 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.523 -20.316 24.484 1.00 0.00 H new ATOM 899 N ILE B 5 95.869 -19.199 25.530 1.00 0.00 N ATOM 900 CA ILE B 5 95.027 -18.833 26.699 1.00 0.00 C ATOM 901 C ILE B 5 94.078 -19.996 26.999 1.00 0.00 C ATOM 902 O ILE B 5 93.767 -20.279 28.139 1.00 0.00 O ATOM 903 CB ILE B 5 94.247 -17.550 26.372 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.200 -16.355 26.466 1.00 0.00 C ATOM 905 CG2 ILE B 5 93.088 -17.363 27.359 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.534 -15.113 25.869 1.00 0.00 C ATOM 0 H ILE B 5 95.769 -18.589 24.719 1.00 0.00 H new ATOM 0 HA ILE B 5 95.642 -18.646 27.579 1.00 0.00 H new ATOM 0 HB ILE B 5 93.836 -17.624 25.365 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.466 -16.171 27.507 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.126 -16.574 25.934 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.545 -16.450 27.114 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.412 -18.216 27.293 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.482 -17.290 28.373 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.216 -14.266 25.938 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.290 -15.298 24.823 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.621 -14.890 26.420 1.00 0.00 H new ATOM 918 N ASP B 6 93.628 -20.678 25.985 1.00 0.00 N ATOM 919 CA ASP B 6 92.714 -21.831 26.207 1.00 0.00 C ATOM 920 C ASP B 6 93.439 -22.863 27.075 1.00 0.00 C ATOM 921 O ASP B 6 92.862 -23.472 27.953 1.00 0.00 O ATOM 922 CB ASP B 6 92.346 -22.457 24.859 1.00 0.00 C ATOM 923 CG ASP B 6 91.366 -23.611 25.080 1.00 0.00 C ATOM 924 OD1 ASP B 6 91.230 -24.039 26.214 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.767 -24.046 24.109 1.00 0.00 O ATOM 0 H ASP B 6 93.854 -20.486 25.009 1.00 0.00 H new ATOM 0 HA ASP B 6 91.803 -21.500 26.705 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.898 -21.706 24.208 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.243 -22.820 24.358 1.00 0.00 H new ATOM 930 N LYS B 7 94.709 -23.055 26.832 1.00 0.00 N ATOM 931 CA LYS B 7 95.492 -24.038 27.637 1.00 0.00 C ATOM 932 C LYS B 7 95.519 -23.578 29.097 1.00 0.00 C ATOM 933 O LYS B 7 95.453 -24.375 30.012 1.00 0.00 O ATOM 934 CB LYS B 7 96.934 -24.094 27.110 1.00 0.00 C ATOM 935 CG LYS B 7 96.968 -24.655 25.680 1.00 0.00 C ATOM 936 CD LYS B 7 96.898 -26.185 25.703 1.00 0.00 C ATOM 937 CE LYS B 7 97.056 -26.720 24.279 1.00 0.00 C ATOM 938 NZ LYS B 7 96.953 -28.206 24.292 1.00 0.00 N ATOM 0 H LYS B 7 95.240 -22.571 26.108 1.00 0.00 H new ATOM 0 HA LYS B 7 95.031 -25.023 27.561 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.371 -23.096 27.125 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.542 -24.718 27.765 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.132 -24.255 25.106 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.881 -24.334 25.179 1.00 0.00 H new ATOM 0 HD2 LYS B 7 97.683 -26.587 26.344 1.00 0.00 H new ATOM 0 HD3 LYS B 7 95.946 -26.511 26.123 1.00 0.00 H new ATOM 0 HE2 LYS B 7 96.287 -26.297 23.633 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.019 -26.415 23.869 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.060 -28.570 23.324 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 97.703 -28.601 24.895 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 96.024 -28.486 24.666 1.00 0.00 H new ATOM 952 N ALA B 8 95.623 -22.297 29.319 1.00 0.00 N ATOM 953 CA ALA B 8 95.664 -21.775 30.714 1.00 0.00 C ATOM 954 C ALA B 8 94.382 -22.163 31.455 1.00 0.00 C ATOM 955 O ALA B 8 94.404 -22.467 32.631 1.00 0.00 O ATOM 956 CB ALA B 8 95.783 -20.249 30.683 1.00 0.00 C ATOM 0 H ALA B 8 95.682 -21.586 28.590 1.00 0.00 H new ATOM 0 HA ALA B 8 96.523 -22.204 31.230 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.813 -19.866 31.703 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.697 -19.966 30.162 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.923 -19.828 30.162 1.00 0.00 H new ATOM 962 N GLN B 9 93.264 -22.143 30.784 1.00 0.00 N ATOM 963 CA GLN B 9 91.986 -22.499 31.464 1.00 0.00 C ATOM 964 C GLN B 9 92.056 -23.930 32.007 1.00 0.00 C ATOM 965 O GLN B 9 91.603 -24.209 33.098 1.00 0.00 O ATOM 966 CB GLN B 9 90.834 -22.391 30.462 1.00 0.00 C ATOM 967 CG GLN B 9 90.589 -20.920 30.121 1.00 0.00 C ATOM 968 CD GLN B 9 89.472 -20.814 29.081 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.403 -21.605 28.162 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.583 -19.863 29.191 1.00 0.00 N ATOM 0 H GLN B 9 93.179 -21.897 29.798 1.00 0.00 H new ATOM 0 HA GLN B 9 91.821 -21.813 32.295 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.072 -22.950 29.557 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.930 -22.833 30.882 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.316 -20.368 31.020 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.503 -20.468 29.735 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.640 -19.198 29.963 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.832 -19.785 28.505 1.00 0.00 H new ATOM 979 N GLU B 10 92.620 -24.840 31.259 1.00 0.00 N ATOM 980 CA GLU B 10 92.712 -26.248 31.745 1.00 0.00 C ATOM 981 C GLU B 10 93.526 -26.300 33.044 1.00 0.00 C ATOM 982 O GLU B 10 93.213 -27.044 33.952 1.00 0.00 O ATOM 983 CB GLU B 10 93.385 -27.120 30.675 1.00 0.00 C ATOM 984 CG GLU B 10 93.418 -28.587 31.132 1.00 0.00 C ATOM 985 CD GLU B 10 91.989 -29.118 31.273 1.00 0.00 C ATOM 986 OE1 GLU B 10 91.097 -28.525 30.688 1.00 0.00 O ATOM 987 OE2 GLU B 10 91.810 -30.108 31.965 1.00 0.00 O ATOM 0 H GLU B 10 93.020 -24.671 30.336 1.00 0.00 H new ATOM 0 HA GLU B 10 91.708 -26.626 31.939 1.00 0.00 H new ATOM 0 HB2 GLU B 10 92.843 -27.037 29.733 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.399 -26.766 30.491 1.00 0.00 H new ATOM 0 HG2 GLU B 10 93.970 -29.190 30.411 1.00 0.00 H new ATOM 0 HG3 GLU B 10 93.942 -28.669 32.084 1.00 0.00 H new ATOM 994 N GLU B 11 94.584 -25.536 33.129 1.00 0.00 N ATOM 995 CA GLU B 11 95.439 -25.561 34.357 1.00 0.00 C ATOM 996 C GLU B 11 94.964 -24.514 35.368 1.00 0.00 C ATOM 997 O GLU B 11 95.548 -24.356 36.422 1.00 0.00 O ATOM 998 CB GLU B 11 96.888 -25.252 33.971 1.00 0.00 C ATOM 999 CG GLU B 11 97.431 -26.363 33.072 1.00 0.00 C ATOM 1000 CD GLU B 11 98.878 -26.047 32.691 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.339 -24.972 33.038 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.502 -26.885 32.064 1.00 0.00 O ATOM 0 H GLU B 11 94.895 -24.894 32.400 1.00 0.00 H new ATOM 0 HA GLU B 11 95.368 -26.550 34.809 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.940 -24.294 33.453 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.502 -25.164 34.867 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.381 -27.321 33.589 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.818 -26.452 32.175 1.00 0.00 H new ATOM 1009 N CYS B 12 93.921 -23.793 35.068 1.00 0.00 N ATOM 1010 CA CYS B 12 93.433 -22.759 36.028 1.00 0.00 C ATOM 1011 C CYS B 12 93.343 -23.361 37.433 1.00 0.00 C ATOM 1012 O CYS B 12 93.722 -22.745 38.410 1.00 0.00 O ATOM 1013 CB CYS B 12 92.047 -22.275 35.597 1.00 0.00 C ATOM 1014 SG CYS B 12 91.493 -20.958 36.710 1.00 0.00 S ATOM 0 H CYS B 12 93.385 -23.873 34.204 1.00 0.00 H new ATOM 0 HA CYS B 12 94.129 -21.920 36.036 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.081 -21.908 34.571 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.339 -23.103 35.616 1.00 0.00 H new ATOM 1019 N GLU B 13 92.836 -24.557 37.542 1.00 0.00 N ATOM 1020 CA GLU B 13 92.709 -25.202 38.881 1.00 0.00 C ATOM 1021 C GLU B 13 94.094 -25.388 39.515 1.00 0.00 C ATOM 1022 O GLU B 13 94.267 -25.207 40.703 1.00 0.00 O ATOM 1023 CB GLU B 13 92.028 -26.565 38.729 1.00 0.00 C ATOM 1024 CG GLU B 13 90.564 -26.370 38.321 1.00 0.00 C ATOM 1025 CD GLU B 13 89.788 -25.711 39.465 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.292 -25.714 40.577 1.00 0.00 O ATOM 1027 OE2 GLU B 13 88.702 -25.215 39.209 1.00 0.00 O ATOM 0 H GLU B 13 92.502 -25.119 36.759 1.00 0.00 H new ATOM 0 HA GLU B 13 92.108 -24.562 39.527 1.00 0.00 H new ATOM 0 HB2 GLU B 13 92.548 -27.160 37.979 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.083 -27.116 39.668 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.506 -25.750 37.426 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.115 -27.332 38.072 1.00 0.00 H new ATOM 1034 N LYS B 14 95.077 -25.764 38.740 1.00 0.00 N ATOM 1035 CA LYS B 14 96.439 -25.976 39.317 1.00 0.00 C ATOM 1036 C LYS B 14 96.969 -24.666 39.904 1.00 0.00 C ATOM 1037 O LYS B 14 97.596 -24.654 40.946 1.00 0.00 O ATOM 1038 CB LYS B 14 97.399 -26.468 38.230 1.00 0.00 C ATOM 1039 CG LYS B 14 98.721 -26.894 38.878 1.00 0.00 C ATOM 1040 CD LYS B 14 99.692 -27.390 37.802 1.00 0.00 C ATOM 1041 CE LYS B 14 101.008 -27.814 38.459 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.654 -26.629 39.091 1.00 0.00 N ATOM 0 H LYS B 14 94.998 -25.933 37.737 1.00 0.00 H new ATOM 0 HA LYS B 14 96.371 -26.725 40.106 1.00 0.00 H new ATOM 0 HB2 LYS B 14 96.958 -27.307 37.691 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.576 -25.678 37.500 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.159 -26.054 39.417 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.541 -27.682 39.609 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.255 -28.230 37.262 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.875 -26.602 37.071 1.00 0.00 H new ATOM 0 HE2 LYS B 14 100.821 -28.582 39.209 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.674 -28.250 37.715 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.666 -26.820 39.233 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.542 -25.801 38.472 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.206 -26.438 40.010 1.00 0.00 H new ATOM 1056 N TYR B 15 96.739 -23.562 39.244 1.00 0.00 N ATOM 1057 CA TYR B 15 97.249 -22.261 39.771 1.00 0.00 C ATOM 1058 C TYR B 15 96.248 -21.680 40.774 1.00 0.00 C ATOM 1059 O TYR B 15 96.558 -20.764 41.509 1.00 0.00 O ATOM 1060 CB TYR B 15 97.439 -21.284 38.609 1.00 0.00 C ATOM 1061 CG TYR B 15 98.600 -21.740 37.753 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.912 -21.578 38.214 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.367 -22.323 36.501 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.990 -21.998 37.425 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.445 -22.742 35.711 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.756 -22.580 36.173 1.00 0.00 C ATOM 1067 OH TYR B 15 101.819 -22.992 35.395 1.00 0.00 O ATOM 0 H TYR B 15 96.222 -23.504 38.366 1.00 0.00 H new ATOM 0 HA TYR B 15 98.203 -22.422 40.272 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.530 -21.233 38.010 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.626 -20.280 38.990 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.093 -21.129 39.179 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.355 -22.450 36.145 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.002 -21.873 37.782 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.264 -23.190 34.745 1.00 0.00 H new ATOM 0 HH TYR B 15 102.619 -22.479 35.636 1.00 0.00 H new ATOM 1077 N HIS B 16 95.055 -22.216 40.818 1.00 0.00 N ATOM 1078 CA HIS B 16 94.033 -21.715 41.788 1.00 0.00 C ATOM 1079 C HIS B 16 93.780 -20.217 41.577 1.00 0.00 C ATOM 1080 O HIS B 16 93.641 -19.749 40.465 1.00 0.00 O ATOM 1081 CB HIS B 16 94.503 -21.974 43.226 1.00 0.00 C ATOM 1082 CG HIS B 16 94.687 -23.452 43.432 1.00 0.00 C ATOM 1083 ND1 HIS B 16 95.835 -24.122 43.033 1.00 0.00 N ATOM 1084 CD2 HIS B 16 93.875 -24.404 43.999 1.00 0.00 C ATOM 1085 CE1 HIS B 16 95.683 -25.418 43.362 1.00 0.00 C ATOM 1086 NE2 HIS B 16 94.507 -25.640 43.951 1.00 0.00 N ATOM 0 H HIS B 16 94.743 -22.982 40.222 1.00 0.00 H new ATOM 0 HA HIS B 16 93.099 -22.251 41.617 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.440 -21.450 43.414 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.772 -21.585 43.935 1.00 0.00 H new ATOM 0 HD1 HIS B 16 96.646 -23.708 42.574 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.897 -24.220 44.417 1.00 0.00 H new ATOM 0 HE1 HIS B 16 96.421 -26.183 43.173 1.00 0.00 H new ATOM 1095 N SER B 17 93.702 -19.467 42.646 1.00 0.00 N ATOM 1096 CA SER B 17 93.437 -18.004 42.533 1.00 0.00 C ATOM 1097 C SER B 17 94.746 -17.249 42.294 1.00 0.00 C ATOM 1098 O SER B 17 94.758 -16.039 42.181 1.00 0.00 O ATOM 1099 CB SER B 17 92.799 -17.509 43.831 1.00 0.00 C ATOM 1100 OG SER B 17 92.771 -16.087 43.829 1.00 0.00 O ATOM 0 H SER B 17 93.812 -19.810 43.600 1.00 0.00 H new ATOM 0 HA SER B 17 92.765 -17.825 41.694 1.00 0.00 H new ATOM 0 HB2 SER B 17 91.787 -17.904 43.926 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.365 -17.872 44.689 1.00 0.00 H new ATOM 0 HG SER B 17 93.161 -15.753 42.994 1.00 0.00 H new ATOM 1106 N ASN B 18 95.849 -17.941 42.224 1.00 0.00 N ATOM 1107 CA ASN B 18 97.144 -17.238 41.999 1.00 0.00 C ATOM 1108 C ASN B 18 97.303 -16.936 40.509 1.00 0.00 C ATOM 1109 O ASN B 18 98.001 -17.628 39.795 1.00 0.00 O ATOM 1110 CB ASN B 18 98.299 -18.128 42.460 1.00 0.00 C ATOM 1111 CG ASN B 18 98.286 -18.235 43.985 1.00 0.00 C ATOM 1112 OD1 ASN B 18 97.703 -17.409 44.661 1.00 0.00 O ATOM 1113 ND2 ASN B 18 98.919 -19.219 44.560 1.00 0.00 N ATOM 0 H ASN B 18 95.911 -18.955 42.312 1.00 0.00 H new ATOM 0 HA ASN B 18 97.154 -16.308 42.567 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.208 -19.119 42.015 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.249 -17.713 42.122 1.00 0.00 H new ATOM 0 HD21 ASN B 18 98.925 -19.296 45.577 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.408 -19.912 43.993 1.00 0.00 H new ATOM 1120 N TRP B 19 96.661 -15.903 40.037 1.00 0.00 N ATOM 1121 CA TRP B 19 96.773 -15.550 38.595 1.00 0.00 C ATOM 1122 C TRP B 19 98.180 -15.021 38.307 1.00 0.00 C ATOM 1123 O TRP B 19 98.660 -15.086 37.192 1.00 0.00 O ATOM 1124 CB TRP B 19 95.741 -14.472 38.254 1.00 0.00 C ATOM 1125 CG TRP B 19 95.994 -13.255 39.085 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.438 -13.013 40.295 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.860 -12.119 38.797 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.903 -11.798 40.765 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.783 -11.209 39.879 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.697 -11.792 37.715 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.509 -10.018 39.885 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.429 -10.592 37.718 1.00 0.00 C ATOM 1133 CH2 TRP B 19 98.335 -9.708 38.802 1.00 0.00 C ATOM 0 H TRP B 19 96.063 -15.288 40.589 1.00 0.00 H new ATOM 0 HA TRP B 19 96.588 -16.436 37.987 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.799 -14.220 37.195 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.734 -14.847 38.437 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.745 -13.662 40.809 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.629 -11.387 41.658 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.778 -12.467 36.876 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.433 -9.340 40.722 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.067 -10.350 36.881 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.901 -8.788 38.800 1.00 0.00 H new ATOM 1144 N ARG B 20 98.840 -14.491 39.300 1.00 0.00 N ATOM 1145 CA ARG B 20 100.212 -13.951 39.079 1.00 0.00 C ATOM 1146 C ARG B 20 101.137 -15.061 38.580 1.00 0.00 C ATOM 1147 O ARG B 20 101.935 -14.862 37.686 1.00 0.00 O ATOM 1148 CB ARG B 20 100.755 -13.392 40.395 1.00 0.00 C ATOM 1149 CG ARG B 20 99.990 -12.119 40.764 1.00 0.00 C ATOM 1150 CD ARG B 20 100.531 -11.557 42.081 1.00 0.00 C ATOM 1151 NE ARG B 20 99.746 -10.352 42.466 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.808 -9.893 43.687 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.562 -10.489 44.570 1.00 0.00 N ATOM 1154 NH2 ARG B 20 99.116 -8.839 44.023 1.00 0.00 N ATOM 0 H ARG B 20 98.489 -14.408 40.254 1.00 0.00 H new ATOM 0 HA ARG B 20 100.168 -13.159 38.331 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.652 -14.133 41.187 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.819 -13.175 40.299 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.093 -11.378 39.971 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.926 -12.337 40.860 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.466 -12.312 42.865 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.584 -11.299 41.973 1.00 0.00 H new ATOM 0 HE ARG B 20 99.159 -9.884 41.775 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.102 -11.313 44.306 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.611 -10.131 45.524 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.527 -8.374 43.332 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.164 -8.480 44.977 1.00 0.00 H new ATOM 1168 N ALA B 21 101.038 -16.230 39.147 1.00 0.00 N ATOM 1169 CA ALA B 21 101.915 -17.345 38.696 1.00 0.00 C ATOM 1170 C ALA B 21 101.543 -17.726 37.261 1.00 0.00 C ATOM 1171 O ALA B 21 102.391 -17.862 36.402 1.00 0.00 O ATOM 1172 CB ALA B 21 101.720 -18.549 39.622 1.00 0.00 C ATOM 0 H ALA B 21 100.390 -16.461 39.900 1.00 0.00 H new ATOM 0 HA ALA B 21 102.959 -17.034 38.729 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.361 -19.368 39.294 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.982 -18.269 40.642 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.678 -18.868 39.589 1.00 0.00 H new ATOM 1178 N MET B 22 100.275 -17.886 36.996 1.00 0.00 N ATOM 1179 CA MET B 22 99.830 -18.242 35.619 1.00 0.00 C ATOM 1180 C MET B 22 100.246 -17.133 34.648 1.00 0.00 C ATOM 1181 O MET B 22 100.765 -17.390 33.580 1.00 0.00 O ATOM 1182 CB MET B 22 98.307 -18.395 35.621 1.00 0.00 C ATOM 1183 CG MET B 22 97.816 -18.775 34.223 1.00 0.00 C ATOM 1184 SD MET B 22 96.052 -19.184 34.297 1.00 0.00 S ATOM 1185 CE MET B 22 95.446 -17.553 34.795 1.00 0.00 C ATOM 0 H MET B 22 99.524 -17.785 37.679 1.00 0.00 H new ATOM 0 HA MET B 22 100.291 -19.178 35.303 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.011 -19.160 36.339 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.840 -17.462 35.938 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.981 -17.949 33.531 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.383 -19.626 33.845 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.398 -17.453 34.513 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.543 -17.443 35.875 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.031 -16.780 34.297 1.00 0.00 H new ATOM 1195 N ALA B 23 100.027 -15.897 35.016 1.00 0.00 N ATOM 1196 CA ALA B 23 100.416 -14.768 34.121 1.00 0.00 C ATOM 1197 C ALA B 23 101.925 -14.812 33.866 1.00 0.00 C ATOM 1198 O ALA B 23 102.391 -14.566 32.772 1.00 0.00 O ATOM 1199 CB ALA B 23 100.058 -13.444 34.797 1.00 0.00 C ATOM 0 H ALA B 23 99.595 -15.621 35.898 1.00 0.00 H new ATOM 0 HA ALA B 23 99.885 -14.855 33.173 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.340 -12.616 34.147 1.00 0.00 H new ATOM 0 HB2 ALA B 23 98.985 -13.409 34.984 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.594 -13.362 35.743 1.00 0.00 H new ATOM 1205 N SER B 24 102.688 -15.120 34.879 1.00 0.00 N ATOM 1206 CA SER B 24 104.169 -15.177 34.720 1.00 0.00 C ATOM 1207 C SER B 24 104.546 -16.325 33.784 1.00 0.00 C ATOM 1208 O SER B 24 105.461 -16.219 32.993 1.00 0.00 O ATOM 1209 CB SER B 24 104.814 -15.406 36.087 1.00 0.00 C ATOM 1210 OG SER B 24 106.227 -15.406 35.946 1.00 0.00 O ATOM 0 H SER B 24 102.347 -15.336 35.816 1.00 0.00 H new ATOM 0 HA SER B 24 104.523 -14.237 34.297 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.507 -14.625 36.782 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.479 -16.355 36.505 1.00 0.00 H new ATOM 0 HG SER B 24 106.643 -15.551 36.821 1.00 0.00 H new ATOM 1216 N ASP B 25 103.855 -17.425 33.876 1.00 0.00 N ATOM 1217 CA ASP B 25 104.181 -18.586 33.003 1.00 0.00 C ATOM 1218 C ASP B 25 103.809 -18.266 31.556 1.00 0.00 C ATOM 1219 O ASP B 25 104.528 -18.597 30.634 1.00 0.00 O ATOM 1220 CB ASP B 25 103.385 -19.802 33.474 1.00 0.00 C ATOM 1221 CG ASP B 25 103.931 -20.276 34.822 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.076 -19.973 35.116 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.195 -20.936 35.538 1.00 0.00 O ATOM 0 H ASP B 25 103.077 -17.571 34.519 1.00 0.00 H new ATOM 0 HA ASP B 25 105.249 -18.796 33.060 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.330 -19.546 33.566 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.455 -20.603 32.739 1.00 0.00 H new ATOM 1228 N PHE B 26 102.698 -17.615 31.347 1.00 0.00 N ATOM 1229 CA PHE B 26 102.283 -17.261 29.956 1.00 0.00 C ATOM 1230 C PHE B 26 102.755 -15.838 29.631 1.00 0.00 C ATOM 1231 O PHE B 26 102.613 -15.365 28.521 1.00 0.00 O ATOM 1232 CB PHE B 26 100.757 -17.340 29.840 1.00 0.00 C ATOM 1233 CG PHE B 26 100.323 -18.790 29.788 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.238 -19.444 28.550 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.002 -19.479 30.966 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.835 -20.783 28.490 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.597 -20.821 30.904 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.514 -21.472 29.665 1.00 0.00 C ATOM 0 H PHE B 26 102.057 -17.311 32.080 1.00 0.00 H new ATOM 0 HA PHE B 26 102.732 -17.961 29.251 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.292 -16.841 30.690 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.423 -16.818 28.943 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.484 -18.914 27.642 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.066 -18.977 31.920 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.772 -21.285 27.536 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.349 -21.353 31.811 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.202 -22.505 29.617 1.00 0.00 H new ATOM 1248 N ASN B 27 103.328 -15.161 30.590 1.00 0.00 N ATOM 1249 CA ASN B 27 103.826 -13.774 30.344 1.00 0.00 C ATOM 1250 C ASN B 27 102.728 -12.919 29.705 1.00 0.00 C ATOM 1251 O ASN B 27 102.961 -12.233 28.730 1.00 0.00 O ATOM 1252 CB ASN B 27 105.036 -13.825 29.407 1.00 0.00 C ATOM 1253 CG ASN B 27 106.167 -14.609 30.074 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.726 -15.512 29.484 1.00 0.00 O ATOM 1255 ND2 ASN B 27 106.533 -14.298 31.287 1.00 0.00 N ATOM 0 H ASN B 27 103.474 -15.509 31.537 1.00 0.00 H new ATOM 0 HA ASN B 27 104.113 -13.329 31.297 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.759 -14.297 28.464 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.370 -12.814 29.172 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.288 -14.813 31.740 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.064 -13.540 31.783 1.00 0.00 H new ATOM 1262 N LEU B 28 101.533 -12.954 30.247 1.00 0.00 N ATOM 1263 CA LEU B 28 100.409 -12.140 29.673 1.00 0.00 C ATOM 1264 C LEU B 28 100.011 -11.026 30.665 1.00 0.00 C ATOM 1265 O LEU B 28 99.796 -11.299 31.829 1.00 0.00 O ATOM 1266 CB LEU B 28 99.197 -13.046 29.464 1.00 0.00 C ATOM 1267 CG LEU B 28 99.459 -14.022 28.308 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.433 -15.159 28.371 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.347 -13.293 26.950 1.00 0.00 C ATOM 0 H LEU B 28 101.286 -13.512 31.064 1.00 0.00 H new ATOM 0 HA LEU B 28 100.731 -11.700 28.729 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.987 -13.601 30.378 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.315 -12.443 29.248 1.00 0.00 H new ATOM 0 HG LEU B 28 100.467 -14.426 28.402 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.612 -15.857 27.553 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.528 -15.683 29.322 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.428 -14.747 28.283 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.536 -13.999 26.141 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.345 -12.877 26.842 1.00 0.00 H new ATOM 0 HD23 LEU B 28 100.081 -12.488 26.907 1.00 0.00 H new ATOM 1281 N PRO B 29 99.887 -9.785 30.227 1.00 0.00 N ATOM 1282 CA PRO B 29 99.483 -8.668 31.132 1.00 0.00 C ATOM 1283 C PRO B 29 98.311 -9.069 32.060 1.00 0.00 C ATOM 1284 O PRO B 29 97.405 -9.761 31.638 1.00 0.00 O ATOM 1285 CB PRO B 29 99.040 -7.569 30.159 1.00 0.00 C ATOM 1286 CG PRO B 29 99.871 -7.785 28.936 1.00 0.00 C ATOM 1287 CD PRO B 29 100.126 -9.298 28.849 1.00 0.00 C ATOM 0 HA PRO B 29 100.290 -8.366 31.799 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.976 -7.646 29.933 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.206 -6.577 30.580 1.00 0.00 H new ATOM 0 HG2 PRO B 29 99.354 -7.426 28.046 1.00 0.00 H new ATOM 0 HG3 PRO B 29 100.810 -7.236 29.002 1.00 0.00 H new ATOM 0 HD2 PRO B 29 99.454 -9.775 28.136 1.00 0.00 H new ATOM 0 HD3 PRO B 29 101.143 -9.513 28.521 1.00 0.00 H new ATOM 1295 N PRO B 30 98.316 -8.643 33.307 1.00 0.00 N ATOM 1296 CA PRO B 30 97.225 -8.976 34.271 1.00 0.00 C ATOM 1297 C PRO B 30 95.821 -8.939 33.639 1.00 0.00 C ATOM 1298 O PRO B 30 94.887 -9.521 34.154 1.00 0.00 O ATOM 1299 CB PRO B 30 97.355 -7.884 35.339 1.00 0.00 C ATOM 1300 CG PRO B 30 98.808 -7.514 35.351 1.00 0.00 C ATOM 1301 CD PRO B 30 99.353 -7.803 33.942 1.00 0.00 C ATOM 0 HA PRO B 30 97.327 -9.992 34.651 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.732 -7.023 35.099 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.034 -8.248 36.315 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.937 -6.462 35.607 1.00 0.00 H new ATOM 0 HG3 PRO B 30 99.348 -8.093 36.100 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.514 -6.882 33.383 1.00 0.00 H new ATOM 0 HD3 PRO B 30 100.311 -8.321 33.986 1.00 0.00 H new ATOM 1309 N VAL B 31 95.658 -8.241 32.545 1.00 0.00 N ATOM 1310 CA VAL B 31 94.307 -8.150 31.909 1.00 0.00 C ATOM 1311 C VAL B 31 93.802 -9.543 31.516 1.00 0.00 C ATOM 1312 O VAL B 31 92.687 -9.914 31.822 1.00 0.00 O ATOM 1313 CB VAL B 31 94.407 -7.271 30.653 1.00 0.00 C ATOM 1314 CG1 VAL B 31 93.109 -7.354 29.836 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.646 -5.818 31.074 1.00 0.00 C ATOM 0 H VAL B 31 96.399 -7.731 32.065 1.00 0.00 H new ATOM 0 HA VAL B 31 93.606 -7.714 32.621 1.00 0.00 H new ATOM 0 HB VAL B 31 95.234 -7.625 30.038 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.196 -6.726 28.950 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.935 -8.387 29.533 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.273 -7.009 30.445 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.718 -5.189 30.187 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.816 -5.478 31.694 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.574 -5.752 31.642 1.00 0.00 H new ATOM 1325 N VAL B 32 94.599 -10.310 30.832 1.00 0.00 N ATOM 1326 CA VAL B 32 94.142 -11.665 30.414 1.00 0.00 C ATOM 1327 C VAL B 32 94.103 -12.610 31.614 1.00 0.00 C ATOM 1328 O VAL B 32 93.195 -13.402 31.758 1.00 0.00 O ATOM 1329 CB VAL B 32 95.102 -12.216 29.365 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.711 -13.650 29.010 1.00 0.00 C ATOM 1331 CG2 VAL B 32 95.039 -11.342 28.112 1.00 0.00 C ATOM 0 H VAL B 32 95.545 -10.060 30.544 1.00 0.00 H new ATOM 0 HA VAL B 32 93.138 -11.587 29.997 1.00 0.00 H new ATOM 0 HB VAL B 32 96.117 -12.210 29.763 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.399 -14.040 28.260 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.758 -14.272 29.904 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.696 -13.663 28.612 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.724 -11.734 27.360 1.00 0.00 H new ATOM 0 HG22 VAL B 32 94.024 -11.347 27.715 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.324 -10.321 28.366 1.00 0.00 H new ATOM 1341 N ALA B 33 95.085 -12.551 32.469 1.00 0.00 N ATOM 1342 CA ALA B 33 95.095 -13.471 33.641 1.00 0.00 C ATOM 1343 C ALA B 33 93.844 -13.232 34.488 1.00 0.00 C ATOM 1344 O ALA B 33 93.117 -14.152 34.808 1.00 0.00 O ATOM 1345 CB ALA B 33 96.358 -13.215 34.471 1.00 0.00 C ATOM 0 H ALA B 33 95.876 -11.910 32.409 1.00 0.00 H new ATOM 0 HA ALA B 33 95.096 -14.507 33.301 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.371 -13.886 35.330 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.240 -13.396 33.857 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.363 -12.181 34.817 1.00 0.00 H new ATOM 1351 N LYS B 34 93.576 -12.009 34.839 1.00 0.00 N ATOM 1352 CA LYS B 34 92.357 -11.722 35.645 1.00 0.00 C ATOM 1353 C LYS B 34 91.114 -12.166 34.877 1.00 0.00 C ATOM 1354 O LYS B 34 90.178 -12.695 35.444 1.00 0.00 O ATOM 1355 CB LYS B 34 92.265 -10.225 35.949 1.00 0.00 C ATOM 1356 CG LYS B 34 93.355 -9.839 36.952 1.00 0.00 C ATOM 1357 CD LYS B 34 93.264 -8.342 37.258 1.00 0.00 C ATOM 1358 CE LYS B 34 94.342 -7.966 38.277 1.00 0.00 C ATOM 1359 NZ LYS B 34 94.196 -6.531 38.650 1.00 0.00 N ATOM 0 H LYS B 34 94.145 -11.196 34.604 1.00 0.00 H new ATOM 0 HA LYS B 34 92.419 -12.272 36.584 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.381 -9.649 35.031 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.282 -9.985 36.354 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.240 -10.416 37.870 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.338 -10.079 36.546 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.395 -7.764 36.343 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.276 -8.099 37.650 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.254 -8.594 39.164 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.332 -8.145 37.857 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.929 -6.276 39.342 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.301 -5.939 37.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.256 -6.375 39.067 1.00 0.00 H new ATOM 1373 N GLU B 35 91.089 -11.942 33.594 1.00 0.00 N ATOM 1374 CA GLU B 35 89.896 -12.338 32.796 1.00 0.00 C ATOM 1375 C GLU B 35 89.685 -13.849 32.872 1.00 0.00 C ATOM 1376 O GLU B 35 88.570 -14.318 32.981 1.00 0.00 O ATOM 1377 CB GLU B 35 90.100 -11.940 31.334 1.00 0.00 C ATOM 1378 CG GLU B 35 88.807 -12.187 30.546 1.00 0.00 C ATOM 1379 CD GLU B 35 88.680 -13.673 30.200 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.595 -14.200 29.587 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.672 -14.261 30.556 1.00 0.00 O ATOM 0 H GLU B 35 91.841 -11.503 33.064 1.00 0.00 H new ATOM 0 HA GLU B 35 89.022 -11.830 33.203 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.382 -10.889 31.269 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.917 -12.517 30.901 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.947 -11.867 31.134 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.808 -11.591 29.633 1.00 0.00 H new ATOM 1388 N ILE B 36 90.735 -14.620 32.815 1.00 0.00 N ATOM 1389 CA ILE B 36 90.553 -16.093 32.887 1.00 0.00 C ATOM 1390 C ILE B 36 89.882 -16.416 34.222 1.00 0.00 C ATOM 1391 O ILE B 36 88.979 -17.225 34.299 1.00 0.00 O ATOM 1392 CB ILE B 36 91.912 -16.788 32.784 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.486 -16.568 31.381 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.737 -18.288 33.020 1.00 0.00 C ATOM 1395 CD1 ILE B 36 93.946 -17.024 31.346 1.00 0.00 C ATOM 0 H ILE B 36 91.698 -14.298 32.723 1.00 0.00 H new ATOM 0 HA ILE B 36 89.932 -16.447 32.064 1.00 0.00 H new ATOM 0 HB ILE B 36 92.589 -16.375 33.532 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.903 -17.125 30.647 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.417 -15.514 31.110 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.705 -18.783 32.947 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.319 -18.454 34.013 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.062 -18.698 32.269 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.352 -16.867 30.347 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.525 -16.448 32.068 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.003 -18.083 31.598 1.00 0.00 H new ATOM 1407 N VAL B 37 90.289 -15.748 35.267 1.00 0.00 N ATOM 1408 CA VAL B 37 89.649 -15.968 36.591 1.00 0.00 C ATOM 1409 C VAL B 37 88.212 -15.454 36.502 1.00 0.00 C ATOM 1410 O VAL B 37 87.286 -16.049 37.019 1.00 0.00 O ATOM 1411 CB VAL B 37 90.415 -15.185 37.664 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.629 -15.201 38.978 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.786 -15.830 37.881 1.00 0.00 C ATOM 0 H VAL B 37 91.040 -15.058 35.259 1.00 0.00 H new ATOM 0 HA VAL B 37 89.660 -17.025 36.856 1.00 0.00 H new ATOM 0 HB VAL B 37 90.543 -14.154 37.336 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.178 -14.643 39.737 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.653 -14.740 38.824 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.496 -16.231 39.310 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.333 -15.275 38.643 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.655 -16.862 38.207 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.348 -15.813 36.947 1.00 0.00 H new ATOM 1423 N ALA B 38 88.029 -14.344 35.837 1.00 0.00 N ATOM 1424 CA ALA B 38 86.665 -13.763 35.689 1.00 0.00 C ATOM 1425 C ALA B 38 85.744 -14.776 35.006 1.00 0.00 C ATOM 1426 O ALA B 38 84.537 -14.702 35.117 1.00 0.00 O ATOM 1427 CB ALA B 38 86.742 -12.497 34.836 1.00 0.00 C ATOM 0 H ALA B 38 88.773 -13.812 35.387 1.00 0.00 H new ATOM 0 HA ALA B 38 86.269 -13.519 36.675 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.745 -12.071 34.727 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.396 -11.771 35.320 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.140 -12.745 33.852 1.00 0.00 H new ATOM 1433 N SER B 39 86.300 -15.728 34.300 1.00 0.00 N ATOM 1434 CA SER B 39 85.445 -16.743 33.615 1.00 0.00 C ATOM 1435 C SER B 39 85.214 -17.911 34.570 1.00 0.00 C ATOM 1436 O SER B 39 84.104 -18.373 34.744 1.00 0.00 O ATOM 1437 CB SER B 39 86.149 -17.241 32.352 1.00 0.00 C ATOM 1438 OG SER B 39 86.257 -16.170 31.423 1.00 0.00 O ATOM 0 H SER B 39 87.305 -15.846 34.169 1.00 0.00 H new ATOM 0 HA SER B 39 84.490 -16.298 33.335 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.139 -17.624 32.600 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.589 -18.066 31.911 1.00 0.00 H new ATOM 0 HG SER B 39 87.120 -15.721 31.540 1.00 0.00 H new ATOM 1444 N CYS B 40 86.248 -18.377 35.212 1.00 0.00 N ATOM 1445 CA CYS B 40 86.071 -19.494 36.177 1.00 0.00 C ATOM 1446 C CYS B 40 85.098 -19.027 37.261 1.00 0.00 C ATOM 1447 O CYS B 40 85.274 -17.980 37.852 1.00 0.00 O ATOM 1448 CB CYS B 40 87.423 -19.846 36.802 1.00 0.00 C ATOM 1449 SG CYS B 40 87.319 -21.463 37.609 1.00 0.00 S ATOM 0 H CYS B 40 87.203 -18.034 35.110 1.00 0.00 H new ATOM 0 HA CYS B 40 85.679 -20.379 35.676 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.197 -19.861 36.034 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.709 -19.084 37.528 1.00 0.00 H new ATOM 1454 N ASP B 41 84.059 -19.771 37.511 1.00 0.00 N ATOM 1455 CA ASP B 41 83.069 -19.337 38.536 1.00 0.00 C ATOM 1456 C ASP B 41 83.584 -19.633 39.949 1.00 0.00 C ATOM 1457 O ASP B 41 83.218 -18.968 40.898 1.00 0.00 O ATOM 1458 CB ASP B 41 81.755 -20.088 38.310 1.00 0.00 C ATOM 1459 CG ASP B 41 81.098 -19.590 37.021 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.401 -18.480 36.615 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.304 -20.327 36.462 1.00 0.00 O ATOM 0 H ASP B 41 83.852 -20.658 37.052 1.00 0.00 H new ATOM 0 HA ASP B 41 82.913 -18.262 38.441 1.00 0.00 H new ATOM 0 HB2 ASP B 41 81.943 -21.160 38.244 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.085 -19.933 39.156 1.00 0.00 H new ATOM 1466 N LYS B 42 84.407 -20.632 40.108 1.00 0.00 N ATOM 1467 CA LYS B 42 84.909 -20.965 41.474 1.00 0.00 C ATOM 1468 C LYS B 42 85.960 -19.945 41.933 1.00 0.00 C ATOM 1469 O LYS B 42 85.965 -19.521 43.071 1.00 0.00 O ATOM 1470 CB LYS B 42 85.540 -22.360 41.457 1.00 0.00 C ATOM 1471 CG LYS B 42 84.455 -23.416 41.225 1.00 0.00 C ATOM 1472 CD LYS B 42 85.093 -24.808 41.209 1.00 0.00 C ATOM 1473 CE LYS B 42 84.020 -25.864 40.931 1.00 0.00 C ATOM 1474 NZ LYS B 42 83.162 -26.041 42.137 1.00 0.00 N ATOM 0 H LYS B 42 84.753 -21.230 39.358 1.00 0.00 H new ATOM 0 HA LYS B 42 84.068 -20.939 42.167 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.293 -22.419 40.671 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.050 -22.550 42.401 1.00 0.00 H new ATOM 0 HG2 LYS B 42 83.702 -23.358 42.011 1.00 0.00 H new ATOM 0 HG3 LYS B 42 83.945 -23.227 40.281 1.00 0.00 H new ATOM 0 HD2 LYS B 42 85.869 -24.854 40.445 1.00 0.00 H new ATOM 0 HD3 LYS B 42 85.575 -25.009 42.166 1.00 0.00 H new ATOM 0 HE2 LYS B 42 83.410 -25.560 40.080 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.489 -26.811 40.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 82.548 -26.870 42.007 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 83.764 -26.183 42.973 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 82.575 -25.193 42.273 1.00 0.00 H new ATOM 1488 N CYS B 43 86.863 -19.563 41.069 1.00 0.00 N ATOM 1489 CA CYS B 43 87.923 -18.589 41.475 1.00 0.00 C ATOM 1490 C CYS B 43 87.392 -17.152 41.440 1.00 0.00 C ATOM 1491 O CYS B 43 87.915 -16.279 42.103 1.00 0.00 O ATOM 1492 CB CYS B 43 89.120 -18.709 40.531 1.00 0.00 C ATOM 1493 SG CYS B 43 89.915 -20.320 40.761 1.00 0.00 S ATOM 0 H CYS B 43 86.914 -19.882 40.101 1.00 0.00 H new ATOM 0 HA CYS B 43 88.228 -18.822 42.495 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.793 -18.598 39.497 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.833 -17.909 40.728 1.00 0.00 H new ATOM 1498 N GLN B 44 86.379 -16.886 40.661 1.00 0.00 N ATOM 1499 CA GLN B 44 85.858 -15.490 40.586 1.00 0.00 C ATOM 1500 C GLN B 44 85.219 -15.091 41.919 1.00 0.00 C ATOM 1501 O GLN B 44 85.500 -14.040 42.461 1.00 0.00 O ATOM 1502 CB GLN B 44 84.817 -15.393 39.469 1.00 0.00 C ATOM 1503 CG GLN B 44 84.326 -13.949 39.351 1.00 0.00 C ATOM 1504 CD GLN B 44 83.422 -13.821 38.122 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.306 -12.664 37.530 1.00 0.00 O flip ATOM 1506 NE2 GLN B 44 82.819 -14.785 37.695 1.00 0.00 N flip ATOM 0 H GLN B 44 85.893 -17.567 40.078 1.00 0.00 H new ATOM 0 HA GLN B 44 86.686 -14.813 40.375 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.251 -15.719 38.524 1.00 0.00 H new ATOM 0 HB3 GLN B 44 83.979 -16.057 39.680 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.779 -13.664 40.250 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.174 -13.270 39.265 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.910 -15.689 38.158 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.222 -14.690 36.874 1.00 0.00 H new ATOM 1515 N LEU B 45 84.369 -15.920 42.458 1.00 0.00 N ATOM 1516 CA LEU B 45 83.721 -15.586 43.763 1.00 0.00 C ATOM 1517 C LEU B 45 84.608 -16.091 44.902 1.00 0.00 C ATOM 1518 O LEU B 45 84.902 -17.266 44.996 1.00 0.00 O ATOM 1519 CB LEU B 45 82.352 -16.264 43.851 1.00 0.00 C ATOM 1520 CG LEU B 45 81.441 -15.765 42.721 1.00 0.00 C ATOM 1521 CD1 LEU B 45 80.146 -16.582 42.729 1.00 0.00 C ATOM 1522 CD2 LEU B 45 81.111 -14.274 42.920 1.00 0.00 C ATOM 0 H LEU B 45 84.093 -16.815 42.054 1.00 0.00 H new ATOM 0 HA LEU B 45 83.592 -14.506 43.840 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.469 -17.346 43.783 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.894 -16.052 44.817 1.00 0.00 H new ATOM 0 HG LEU B 45 81.953 -15.885 41.766 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.492 -16.235 41.929 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.379 -17.636 42.575 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.644 -16.458 43.688 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.464 -13.933 42.111 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.601 -14.138 43.874 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.034 -13.693 42.916 1.00 0.00 H new ATOM 1534 N LYS B 46 85.038 -15.216 45.768 1.00 0.00 N ATOM 1535 CA LYS B 46 85.905 -15.655 46.896 1.00 0.00 C ATOM 1536 C LYS B 46 85.041 -16.264 47.998 1.00 0.00 C ATOM 1537 O LYS B 46 85.068 -17.455 48.239 1.00 0.00 O ATOM 1538 CB LYS B 46 86.663 -14.453 47.458 1.00 0.00 C ATOM 1539 CG LYS B 46 87.703 -14.943 48.464 1.00 0.00 C ATOM 1540 CD LYS B 46 88.468 -13.750 49.034 1.00 0.00 C ATOM 1541 CE LYS B 46 89.519 -14.251 50.027 1.00 0.00 C ATOM 1542 NZ LYS B 46 88.843 -14.746 51.259 1.00 0.00 N ATOM 0 H LYS B 46 84.827 -14.218 45.743 1.00 0.00 H new ATOM 0 HA LYS B 46 86.615 -16.399 46.535 1.00 0.00 H new ATOM 0 HB2 LYS B 46 87.149 -13.905 46.651 1.00 0.00 H new ATOM 0 HB3 LYS B 46 85.970 -13.763 47.940 1.00 0.00 H new ATOM 0 HG2 LYS B 46 87.214 -15.492 49.269 1.00 0.00 H new ATOM 0 HG3 LYS B 46 88.394 -15.633 47.980 1.00 0.00 H new ATOM 0 HD2 LYS B 46 88.948 -13.193 48.229 1.00 0.00 H new ATOM 0 HD3 LYS B 46 87.780 -13.065 49.530 1.00 0.00 H new ATOM 0 HE2 LYS B 46 90.108 -15.050 49.577 1.00 0.00 H new ATOM 0 HE3 LYS B 46 90.211 -13.447 50.277 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 89.539 -14.830 52.027 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 88.098 -14.076 51.539 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 88.419 -15.677 51.072 1.00 0.00 H new ATOM 1556 N GLY B 47 84.276 -15.454 48.671 1.00 0.00 N ATOM 1557 CA GLY B 47 83.408 -15.975 49.764 1.00 0.00 C ATOM 1558 C GLY B 47 82.814 -14.800 50.544 1.00 0.00 C ATOM 1559 O GLY B 47 82.292 -14.962 51.628 1.00 0.00 O ATOM 0 H GLY B 47 84.213 -14.449 48.511 1.00 0.00 H new ATOM 0 HA2 GLY B 47 82.610 -16.590 49.348 1.00 0.00 H new ATOM 0 HA3 GLY B 47 83.988 -16.613 50.431 1.00 0.00 H new ATOM 1563 N GLU B 48 82.891 -13.616 49.997 1.00 0.00 N ATOM 1564 CA GLU B 48 82.331 -12.423 50.699 1.00 0.00 C ATOM 1565 C GLU B 48 80.839 -12.301 50.383 1.00 0.00 C ATOM 1566 O GLU B 48 80.321 -11.217 50.206 1.00 0.00 O ATOM 1567 CB GLU B 48 83.050 -11.158 50.221 1.00 0.00 C ATOM 1568 CG GLU B 48 84.486 -11.146 50.750 1.00 0.00 C ATOM 1569 CD GLU B 48 85.199 -9.885 50.256 1.00 0.00 C ATOM 1570 OE1 GLU B 48 85.760 -9.932 49.173 1.00 0.00 O ATOM 1571 OE2 GLU B 48 85.172 -8.894 50.968 1.00 0.00 O ATOM 0 H GLU B 48 83.319 -13.423 49.091 1.00 0.00 H new ATOM 0 HA GLU B 48 82.473 -12.539 51.773 1.00 0.00 H new ATOM 0 HB2 GLU B 48 83.054 -11.121 49.132 1.00 0.00 H new ATOM 0 HB3 GLU B 48 82.517 -10.273 50.568 1.00 0.00 H new ATOM 0 HG2 GLU B 48 84.484 -11.173 51.840 1.00 0.00 H new ATOM 0 HG3 GLU B 48 85.018 -12.035 50.410 1.00 0.00 H new ATOM 1578 N ALA B 49 80.143 -13.404 50.305 1.00 0.00 N ATOM 1579 CA ALA B 49 78.687 -13.345 49.992 1.00 0.00 C ATOM 1580 C ALA B 49 77.935 -12.747 51.181 1.00 0.00 C ATOM 1581 O ALA B 49 78.458 -12.648 52.273 1.00 0.00 O ATOM 1582 CB ALA B 49 78.159 -14.754 49.718 1.00 0.00 C ATOM 0 H ALA B 49 80.520 -14.342 50.444 1.00 0.00 H new ATOM 0 HA ALA B 49 78.535 -12.723 49.110 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.094 -14.706 49.490 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.693 -15.184 48.870 1.00 0.00 H new ATOM 0 HB3 ALA B 49 78.313 -15.378 50.598 1.00 0.00 H new ATOM 1588 N MET B 50 76.715 -12.334 50.971 1.00 0.00 N ATOM 1589 CA MET B 50 75.933 -11.731 52.084 1.00 0.00 C ATOM 1590 C MET B 50 76.685 -10.499 52.594 1.00 0.00 C ATOM 1591 O MET B 50 76.698 -10.206 53.773 1.00 0.00 O ATOM 1592 CB MET B 50 75.774 -12.756 53.216 1.00 0.00 C ATOM 1593 CG MET B 50 74.603 -12.356 54.115 1.00 0.00 C ATOM 1594 SD MET B 50 74.374 -13.607 55.402 1.00 0.00 S ATOM 1595 CE MET B 50 72.776 -13.014 56.010 1.00 0.00 C ATOM 0 H MET B 50 76.227 -12.389 50.077 1.00 0.00 H new ATOM 0 HA MET B 50 74.942 -11.440 51.734 1.00 0.00 H new ATOM 0 HB2 MET B 50 75.602 -13.748 52.799 1.00 0.00 H new ATOM 0 HB3 MET B 50 76.692 -12.811 53.801 1.00 0.00 H new ATOM 0 HG2 MET B 50 74.795 -11.384 54.568 1.00 0.00 H new ATOM 0 HG3 MET B 50 73.693 -12.258 53.523 1.00 0.00 H new ATOM 0 HE1 MET B 50 72.437 -13.653 56.826 1.00 0.00 H new ATOM 0 HE2 MET B 50 72.881 -11.991 56.370 1.00 0.00 H new ATOM 0 HE3 MET B 50 72.046 -13.041 55.201 1.00 0.00 H new ATOM 1605 N HIS B 51 77.318 -9.783 51.705 1.00 0.00 N ATOM 1606 CA HIS B 51 78.082 -8.574 52.117 1.00 0.00 C ATOM 1607 C HIS B 51 77.128 -7.386 52.258 1.00 0.00 C ATOM 1608 O HIS B 51 76.049 -7.377 51.699 1.00 0.00 O ATOM 1609 CB HIS B 51 79.130 -8.260 51.048 1.00 0.00 C ATOM 1610 CG HIS B 51 78.473 -8.267 49.693 1.00 0.00 C ATOM 1611 ND1 HIS B 51 78.290 -9.264 48.766 1.00 0.00 N flip ATOM 1612 CD2 HIS B 51 77.894 -7.130 49.148 1.00 0.00 C flip ATOM 1613 CE1 HIS B 51 77.610 -8.753 47.665 1.00 0.00 C flip ATOM 1614 NE2 HIS B 51 77.395 -7.466 47.944 1.00 0.00 N flip ATOM 0 H HIS B 51 77.338 -9.986 50.706 1.00 0.00 H new ATOM 0 HA HIS B 51 78.571 -8.757 53.074 1.00 0.00 H new ATOM 0 HB2 HIS B 51 79.583 -7.288 51.241 1.00 0.00 H new ATOM 0 HB3 HIS B 51 79.932 -8.997 51.080 1.00 0.00 H new ATOM 0 HD2 HIS B 51 77.851 -6.153 49.606 1.00 0.00 H new ATOM 0 HE1 HIS B 51 77.318 -9.286 46.772 1.00 0.00 H new ATOM 0 HE2 HIS B 51 76.912 -6.817 47.322 1.00 0.00 H new ATOM 1623 N GLY B 52 77.518 -6.383 52.995 1.00 0.00 N ATOM 1624 CA GLY B 52 76.633 -5.195 53.168 1.00 0.00 C ATOM 1625 C GLY B 52 75.318 -5.630 53.817 1.00 0.00 C ATOM 1626 O GLY B 52 74.363 -5.962 53.142 1.00 0.00 O ATOM 0 H GLY B 52 78.411 -6.334 53.485 1.00 0.00 H new ATOM 0 HA2 GLY B 52 77.127 -4.447 53.788 1.00 0.00 H new ATOM 0 HA3 GLY B 52 76.438 -4.730 52.202 1.00 0.00 H new ATOM 1630 N GLN B 53 75.262 -5.636 55.120 1.00 0.00 N ATOM 1631 CA GLN B 53 74.011 -6.056 55.810 1.00 0.00 C ATOM 1632 C GLN B 53 73.006 -4.900 55.782 1.00 0.00 C ATOM 1633 O GLN B 53 73.374 -3.743 55.832 1.00 0.00 O ATOM 1634 CB GLN B 53 74.334 -6.428 57.260 1.00 0.00 C ATOM 1635 CG GLN B 53 73.059 -6.878 57.977 1.00 0.00 C ATOM 1636 CD GLN B 53 73.407 -7.332 59.396 1.00 0.00 C ATOM 1637 OE1 GLN B 53 74.566 -7.472 59.735 1.00 0.00 O ATOM 1638 NE2 GLN B 53 72.446 -7.585 60.241 1.00 0.00 N ATOM 0 H GLN B 53 76.029 -5.368 55.737 1.00 0.00 H new ATOM 0 HA GLN B 53 73.581 -6.920 55.304 1.00 0.00 H new ATOM 0 HB2 GLN B 53 75.076 -7.226 57.283 1.00 0.00 H new ATOM 0 HB3 GLN B 53 74.770 -5.572 57.776 1.00 0.00 H new ATOM 0 HG2 GLN B 53 72.340 -6.060 58.011 1.00 0.00 H new ATOM 0 HG3 GLN B 53 72.588 -7.693 57.428 1.00 0.00 H new ATOM 0 HE21 GLN B 53 71.473 -7.468 59.957 1.00 0.00 H new ATOM 0 HE22 GLN B 53 72.667 -7.900 61.186 1.00 0.00 H new ATOM 1647 N VAL B 54 71.736 -5.205 55.697 1.00 0.00 N ATOM 1648 CA VAL B 54 70.699 -4.128 55.658 1.00 0.00 C ATOM 1649 C VAL B 54 70.158 -3.882 57.069 1.00 0.00 C ATOM 1650 O VAL B 54 69.912 -4.804 57.821 1.00 0.00 O ATOM 1651 CB VAL B 54 69.554 -4.566 54.743 1.00 0.00 C ATOM 1652 CG1 VAL B 54 68.918 -5.845 55.290 1.00 0.00 C ATOM 1653 CG2 VAL B 54 68.499 -3.459 54.677 1.00 0.00 C ATOM 0 H VAL B 54 71.371 -6.156 55.653 1.00 0.00 H new ATOM 0 HA VAL B 54 71.143 -3.208 55.278 1.00 0.00 H new ATOM 0 HB VAL B 54 69.945 -4.756 53.743 1.00 0.00 H new ATOM 0 HG11 VAL B 54 68.103 -6.154 54.636 1.00 0.00 H new ATOM 0 HG12 VAL B 54 69.668 -6.635 55.333 1.00 0.00 H new ATOM 0 HG13 VAL B 54 68.529 -5.659 56.291 1.00 0.00 H new ATOM 0 HG21 VAL B 54 67.684 -3.772 54.025 1.00 0.00 H new ATOM 0 HG22 VAL B 54 68.110 -3.267 55.677 1.00 0.00 H new ATOM 0 HG23 VAL B 54 68.951 -2.549 54.282 1.00 0.00 H new ATOM 1663 N ASP B 55 69.972 -2.639 57.435 1.00 0.00 N ATOM 1664 CA ASP B 55 69.447 -2.324 58.798 1.00 0.00 C ATOM 1665 C ASP B 55 68.636 -1.027 58.742 1.00 0.00 C ATOM 1666 O ASP B 55 68.911 -0.217 57.872 1.00 0.00 O ATOM 1667 CB ASP B 55 70.619 -2.149 59.770 1.00 0.00 C ATOM 1668 CG ASP B 55 71.435 -0.917 59.373 1.00 0.00 C ATOM 1669 OD1 ASP B 55 71.465 -0.604 58.195 1.00 0.00 O ATOM 1670 OD2 ASP B 55 72.018 -0.309 60.255 1.00 0.00 O ATOM 1671 OXT ASP B 55 67.757 -0.865 59.571 1.00 0.00 O ATOM 0 H ASP B 55 70.162 -1.827 56.847 1.00 0.00 H new ATOM 0 HA ASP B 55 68.810 -3.140 59.140 1.00 0.00 H new ATOM 0 HB2 ASP B 55 70.247 -2.038 60.788 1.00 0.00 H new ATOM 0 HB3 ASP B 55 71.252 -3.037 59.756 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.695 -1.550 35.900 1.00 0.00 CD HETATM 1678 CD CD B 56 89.749 -21.701 38.535 1.00 0.00 CD