USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 680 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= -2.85! C(o=-11!,f=-9!) USER MOD Set 1.2: B 44 GLN :FLIP amide:sc= -6.11! C(o=-11!,f=-9!) USER MOD Set 2.1: B 40 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: B 43 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 40 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 PHE N :NH3+ 140:sc= 1.01 (180deg=0.415) USER MOD Single : A 7 LYS NZ :NH3+ -152:sc= -0.281 (180deg=-1.3!) USER MOD Single : A 9 GLN : amide:sc= -0.028 K(o=-0.028,f=-1.8!) USER MOD Single : A 12 CYS SG : rot 170:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -25:sc= 0.844 USER MOD Single : A 16 HIS : no HD1:sc= -2.53 X(o=-2.5,f=-2.5) USER MOD Single : A 17 SER OG : rot -36:sc= 0.45 USER MOD Single : A 18 ASN : amide:sc= -0.0699 K(o=-0.07,f=-1.9!) USER MOD Single : A 22 MET CE :methyl 157:sc= -0.259 (180deg=-1.42!) USER MOD Single : A 24 SER OG : rot 77:sc= 0.149 USER MOD Single : A 27 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0366) USER MOD Single : A 39 SER OG : rot 108:sc= 0.0168 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 PHE N :NH3+ 146:sc= 1.07 (180deg=0.361) USER MOD Single : B 7 LYS NZ :NH3+ -156:sc= -0.319 (180deg=-1.2!) USER MOD Single : B 9 GLN : amide:sc= -0.0222 K(o=-0.022,f=-1.8!) USER MOD Single : B 12 CYS SG : rot 170:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot -24:sc= 0.882 USER MOD Single : B 16 HIS : no HD1:sc= -2.59 X(o=-2.6,f=-2.5) USER MOD Single : B 17 SER OG : rot -36:sc= 0.46 USER MOD Single : B 18 ASN : amide:sc= -0.0172 K(o=-0.017,f=-1.9!) USER MOD Single : B 22 MET CE :methyl 154:sc= -0.289 (180deg=-1.37!) USER MOD Single : B 24 SER OG : rot 76:sc= 0.17 USER MOD Single : B 27 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : B 34 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0409) USER MOD Single : B 39 SER OG : rot 108:sc= 0.0211 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.179 -5.242 23.684 1.00 0.00 N ATOM 2 CA PHE A 1 94.978 -4.493 24.956 1.00 0.00 C ATOM 3 C PHE A 1 95.172 -3.001 24.695 1.00 0.00 C ATOM 4 O PHE A 1 96.275 -2.530 24.509 1.00 0.00 O ATOM 5 CB PHE A 1 95.986 -4.987 25.993 1.00 0.00 C ATOM 6 CG PHE A 1 96.098 -6.492 25.888 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.016 -7.298 26.258 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.275 -7.083 25.408 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.106 -8.689 26.153 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.367 -8.478 25.303 1.00 0.00 C ATOM 11 CZ PHE A 1 96.282 -9.282 25.675 1.00 0.00 C ATOM 0 H1 PHE A 1 95.703 -6.119 23.877 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.254 -5.476 23.269 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.720 -4.655 23.017 1.00 0.00 H new ATOM 0 HA PHE A 1 93.969 -4.658 25.335 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.958 -4.524 25.824 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.666 -4.702 26.995 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.108 -6.844 26.626 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.111 -6.464 25.119 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.268 -9.307 26.441 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.275 -8.933 24.935 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.352 -10.357 25.594 1.00 0.00 H new ATOM 23 N LEU A 2 94.096 -2.256 24.660 1.00 0.00 N ATOM 24 CA LEU A 2 94.199 -0.788 24.386 1.00 0.00 C ATOM 25 C LEU A 2 94.138 0.017 25.681 1.00 0.00 C ATOM 26 O LEU A 2 93.346 -0.247 26.555 1.00 0.00 O ATOM 27 CB LEU A 2 93.040 -0.360 23.477 1.00 0.00 C ATOM 28 CG LEU A 2 92.990 -1.248 22.228 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.826 -0.801 21.339 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.309 -1.132 21.447 1.00 0.00 C ATOM 0 H LEU A 2 93.148 -2.601 24.810 1.00 0.00 H new ATOM 0 HA LEU A 2 95.156 -0.595 23.900 1.00 0.00 H new ATOM 0 HB2 LEU A 2 92.097 -0.430 24.020 1.00 0.00 H new ATOM 0 HB3 LEU A 2 93.163 0.683 23.186 1.00 0.00 H new ATOM 0 HG LEU A 2 92.847 -2.286 22.528 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.786 -1.429 20.449 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.891 -0.893 21.891 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.972 0.238 21.043 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.265 -1.766 20.562 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.463 -0.096 21.144 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.136 -1.451 22.081 1.00 0.00 H new ATOM 42 N ASP A 3 94.959 1.021 25.796 1.00 0.00 N ATOM 43 CA ASP A 3 94.929 1.866 27.018 1.00 0.00 C ATOM 44 C ASP A 3 93.536 2.477 27.131 1.00 0.00 C ATOM 45 O ASP A 3 92.973 2.582 28.202 1.00 0.00 O ATOM 46 CB ASP A 3 95.979 2.976 26.917 1.00 0.00 C ATOM 47 CG ASP A 3 97.380 2.370 27.024 1.00 0.00 C ATOM 48 OD1 ASP A 3 97.508 1.332 27.655 1.00 0.00 O ATOM 49 OD2 ASP A 3 98.298 2.951 26.473 1.00 0.00 O ATOM 0 H ASP A 3 95.649 1.293 25.096 1.00 0.00 H new ATOM 0 HA ASP A 3 95.153 1.264 27.898 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.873 3.506 25.970 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.827 3.707 27.711 1.00 0.00 H new ATOM 54 N GLY A 4 92.971 2.868 26.019 1.00 0.00 N ATOM 55 CA GLY A 4 91.603 3.461 26.037 1.00 0.00 C ATOM 56 C GLY A 4 90.676 2.566 26.862 1.00 0.00 C ATOM 57 O GLY A 4 89.576 2.946 27.215 1.00 0.00 O ATOM 0 H GLY A 4 93.400 2.802 25.096 1.00 0.00 H new ATOM 0 HA2 GLY A 4 91.634 4.464 26.464 1.00 0.00 H new ATOM 0 HA3 GLY A 4 91.223 3.559 25.020 1.00 0.00 H new ATOM 61 N ILE A 5 91.125 1.384 27.188 1.00 0.00 N ATOM 62 CA ILE A 5 90.294 0.467 28.009 1.00 0.00 C ATOM 63 C ILE A 5 90.002 1.150 29.348 1.00 0.00 C ATOM 64 O ILE A 5 88.953 0.967 29.934 1.00 0.00 O ATOM 65 CB ILE A 5 91.044 -0.861 28.211 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.961 -1.675 26.918 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.412 -1.660 29.359 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.950 -2.839 26.981 1.00 0.00 C ATOM 0 H ILE A 5 92.037 1.015 26.918 1.00 0.00 H new ATOM 0 HA ILE A 5 89.350 0.246 27.510 1.00 0.00 H new ATOM 0 HB ILE A 5 92.085 -0.654 28.460 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.948 -2.052 26.778 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.186 -1.040 26.061 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.953 -2.597 29.491 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.465 -1.078 30.279 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.369 -1.873 29.123 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.890 -3.418 26.059 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.962 -2.451 27.100 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.705 -3.479 27.828 1.00 0.00 H new ATOM 80 N ASP A 6 90.914 1.950 29.828 1.00 0.00 N ATOM 81 CA ASP A 6 90.669 2.660 31.112 1.00 0.00 C ATOM 82 C ASP A 6 89.424 3.530 30.944 1.00 0.00 C ATOM 83 O ASP A 6 88.601 3.634 31.830 1.00 0.00 O ATOM 84 CB ASP A 6 91.873 3.537 31.468 1.00 0.00 C ATOM 85 CG ASP A 6 93.050 2.648 31.878 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.837 1.459 32.050 1.00 0.00 O ATOM 87 OD2 ASP A 6 94.143 3.171 32.011 1.00 0.00 O ATOM 0 H ASP A 6 91.814 2.141 29.388 1.00 0.00 H new ATOM 0 HA ASP A 6 90.521 1.939 31.916 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.151 4.155 30.614 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.615 4.215 32.282 1.00 0.00 H new ATOM 92 N LYS A 7 89.278 4.144 29.801 1.00 0.00 N ATOM 93 CA LYS A 7 88.080 4.997 29.552 1.00 0.00 C ATOM 94 C LYS A 7 86.827 4.120 29.606 1.00 0.00 C ATOM 95 O LYS A 7 85.800 4.517 30.119 1.00 0.00 O ATOM 96 CB LYS A 7 88.185 5.643 28.164 1.00 0.00 C ATOM 97 CG LYS A 7 87.030 6.642 27.970 1.00 0.00 C ATOM 98 CD LYS A 7 87.042 7.208 26.539 1.00 0.00 C ATOM 99 CE LYS A 7 88.064 8.346 26.425 1.00 0.00 C ATOM 100 NZ LYS A 7 87.714 9.428 27.389 1.00 0.00 N ATOM 0 H LYS A 7 89.939 4.091 29.026 1.00 0.00 H new ATOM 0 HA LYS A 7 88.023 5.778 30.310 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.142 6.154 28.061 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.149 4.875 27.391 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.078 6.148 28.164 1.00 0.00 H new ATOM 0 HG3 LYS A 7 87.120 7.455 28.690 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.287 6.417 25.830 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.049 7.574 26.277 1.00 0.00 H new ATOM 0 HE2 LYS A 7 89.066 7.971 26.632 1.00 0.00 H new ATOM 0 HE3 LYS A 7 88.074 8.739 25.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 88.056 10.341 27.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 86.681 9.467 27.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 88.160 9.232 28.308 1.00 0.00 H new ATOM 114 N ALA A 8 86.904 2.933 29.068 1.00 0.00 N ATOM 115 CA ALA A 8 85.721 2.025 29.071 1.00 0.00 C ATOM 116 C ALA A 8 85.279 1.737 30.508 1.00 0.00 C ATOM 117 O ALA A 8 84.102 1.655 30.795 1.00 0.00 O ATOM 118 CB ALA A 8 86.093 0.707 28.387 1.00 0.00 C ATOM 0 H ALA A 8 87.739 2.551 28.624 1.00 0.00 H new ATOM 0 HA ALA A 8 84.903 2.507 28.535 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.230 0.041 28.387 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.399 0.904 27.360 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.915 0.237 28.926 1.00 0.00 H new ATOM 124 N GLN A 9 86.204 1.571 31.415 1.00 0.00 N ATOM 125 CA GLN A 9 85.812 1.275 32.822 1.00 0.00 C ATOM 126 C GLN A 9 84.957 2.425 33.359 1.00 0.00 C ATOM 127 O GLN A 9 83.966 2.218 34.029 1.00 0.00 O ATOM 128 CB GLN A 9 87.072 1.144 33.679 1.00 0.00 C ATOM 129 CG GLN A 9 87.820 -0.133 33.296 1.00 0.00 C ATOM 130 CD GLN A 9 89.181 -0.158 33.995 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.684 0.866 34.413 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.802 -1.296 34.142 1.00 0.00 N ATOM 0 H GLN A 9 87.208 1.627 31.244 1.00 0.00 H new ATOM 0 HA GLN A 9 85.244 0.345 32.857 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.715 2.012 33.534 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.805 1.118 34.735 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.237 -1.008 33.582 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.954 -0.178 32.215 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.380 -2.156 33.791 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.709 -1.326 34.608 1.00 0.00 H new ATOM 141 N GLU A 10 85.338 3.634 33.068 1.00 0.00 N ATOM 142 CA GLU A 10 84.559 4.809 33.553 1.00 0.00 C ATOM 143 C GLU A 10 83.128 4.756 33.005 1.00 0.00 C ATOM 144 O GLU A 10 82.177 5.085 33.685 1.00 0.00 O ATOM 145 CB GLU A 10 85.237 6.097 33.082 1.00 0.00 C ATOM 146 CG GLU A 10 84.492 7.313 33.649 1.00 0.00 C ATOM 147 CD GLU A 10 85.175 8.597 33.175 1.00 0.00 C ATOM 148 OE1 GLU A 10 86.250 8.497 32.609 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.609 9.658 33.384 1.00 0.00 O ATOM 0 H GLU A 10 86.161 3.863 32.511 1.00 0.00 H new ATOM 0 HA GLU A 10 84.523 4.788 34.642 1.00 0.00 H new ATOM 0 HB2 GLU A 10 86.277 6.112 33.408 1.00 0.00 H new ATOM 0 HB3 GLU A 10 85.244 6.138 31.993 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.452 7.300 33.323 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.485 7.273 34.738 1.00 0.00 H new ATOM 156 N GLU A 11 82.975 4.368 31.768 1.00 0.00 N ATOM 157 CA GLU A 11 81.613 4.321 31.156 1.00 0.00 C ATOM 158 C GLU A 11 80.983 2.945 31.380 1.00 0.00 C ATOM 159 O GLU A 11 79.875 2.689 30.958 1.00 0.00 O ATOM 160 CB GLU A 11 81.729 4.584 29.653 1.00 0.00 C ATOM 161 CG GLU A 11 82.185 6.028 29.423 1.00 0.00 C ATOM 162 CD GLU A 11 82.317 6.291 27.922 1.00 0.00 C ATOM 163 OE1 GLU A 11 82.141 5.357 27.160 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.599 7.423 27.560 1.00 0.00 O ATOM 0 H GLU A 11 83.736 4.081 31.152 1.00 0.00 H new ATOM 0 HA GLU A 11 80.985 5.081 31.621 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.441 3.891 29.205 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.768 4.413 29.167 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.467 6.721 29.862 1.00 0.00 H new ATOM 0 HG3 GLU A 11 83.140 6.202 29.918 1.00 0.00 H new ATOM 171 N CYS A 12 81.669 2.059 32.049 1.00 0.00 N ATOM 172 CA CYS A 12 81.086 0.707 32.298 1.00 0.00 C ATOM 173 C CYS A 12 79.672 0.866 32.858 1.00 0.00 C ATOM 174 O CYS A 12 78.753 0.174 32.465 1.00 0.00 O ATOM 175 CB CYS A 12 81.953 -0.048 33.310 1.00 0.00 C ATOM 176 SG CYS A 12 81.296 -1.720 33.544 1.00 0.00 S ATOM 0 H CYS A 12 82.602 2.210 32.432 1.00 0.00 H new ATOM 0 HA CYS A 12 81.051 0.146 31.364 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.983 -0.097 32.957 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.967 0.485 34.261 1.00 0.00 H new ATOM 0 HG CYS A 12 82.144 -2.427 34.231 1.00 0.00 H new ATOM 181 N GLU A 13 79.494 1.776 33.773 1.00 0.00 N ATOM 182 CA GLU A 13 78.144 1.996 34.367 1.00 0.00 C ATOM 183 C GLU A 13 77.162 2.404 33.265 1.00 0.00 C ATOM 184 O GLU A 13 76.018 1.994 33.251 1.00 0.00 O ATOM 185 CB GLU A 13 78.224 3.110 35.411 1.00 0.00 C ATOM 186 CG GLU A 13 79.050 2.633 36.609 1.00 0.00 C ATOM 187 CD GLU A 13 78.278 1.551 37.368 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.062 1.537 37.269 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.917 0.755 38.038 1.00 0.00 O ATOM 0 H GLU A 13 80.229 2.381 34.138 1.00 0.00 H new ATOM 0 HA GLU A 13 77.800 1.076 34.839 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.678 3.999 34.974 1.00 0.00 H new ATOM 0 HB3 GLU A 13 77.222 3.390 35.736 1.00 0.00 H new ATOM 0 HG2 GLU A 13 80.008 2.240 36.269 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.266 3.471 37.271 1.00 0.00 H new ATOM 196 N LYS A 14 77.599 3.227 32.349 1.00 0.00 N ATOM 197 CA LYS A 14 76.694 3.685 31.255 1.00 0.00 C ATOM 198 C LYS A 14 76.223 2.483 30.433 1.00 0.00 C ATOM 199 O LYS A 14 75.075 2.407 30.042 1.00 0.00 O ATOM 200 CB LYS A 14 77.459 4.674 30.358 1.00 0.00 C ATOM 201 CG LYS A 14 76.573 5.183 29.206 1.00 0.00 C ATOM 202 CD LYS A 14 75.436 6.064 29.745 1.00 0.00 C ATOM 203 CE LYS A 14 74.832 6.871 28.593 1.00 0.00 C ATOM 204 NZ LYS A 14 73.658 7.642 29.085 1.00 0.00 N ATOM 0 H LYS A 14 78.547 3.603 32.311 1.00 0.00 H new ATOM 0 HA LYS A 14 75.820 4.179 31.680 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.804 5.518 30.955 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.346 4.188 29.951 1.00 0.00 H new ATOM 0 HG2 LYS A 14 77.177 5.752 28.500 1.00 0.00 H new ATOM 0 HG3 LYS A 14 76.156 4.337 28.660 1.00 0.00 H new ATOM 0 HD2 LYS A 14 74.670 5.444 30.211 1.00 0.00 H new ATOM 0 HD3 LYS A 14 75.815 6.736 30.515 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.579 7.550 28.181 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.529 6.203 27.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 73.249 8.190 28.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 72.943 6.985 29.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 73.960 8.291 29.840 1.00 0.00 H new ATOM 218 N TYR A 15 77.086 1.536 30.169 1.00 0.00 N ATOM 219 CA TYR A 15 76.660 0.344 29.374 1.00 0.00 C ATOM 220 C TYR A 15 76.082 -0.708 30.323 1.00 0.00 C ATOM 221 O TYR A 15 75.442 -1.652 29.903 1.00 0.00 O ATOM 222 CB TYR A 15 77.861 -0.244 28.629 1.00 0.00 C ATOM 223 CG TYR A 15 78.319 0.722 27.562 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.748 0.678 26.283 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.314 1.663 27.852 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.175 1.576 25.296 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.740 2.559 26.865 1.00 0.00 C ATOM 228 CZ TYR A 15 79.170 2.515 25.586 1.00 0.00 C ATOM 229 OH TYR A 15 79.591 3.396 24.612 1.00 0.00 O ATOM 0 H TYR A 15 78.061 1.535 30.467 1.00 0.00 H new ATOM 0 HA TYR A 15 75.905 0.643 28.647 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.674 -0.442 29.328 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.590 -1.198 28.177 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.980 -0.047 26.058 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.753 1.698 28.838 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.735 1.543 24.310 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.508 3.284 27.089 1.00 0.00 H new ATOM 0 HH TYR A 15 79.428 3.008 23.727 1.00 0.00 H new ATOM 239 N HIS A 16 76.293 -0.541 31.601 1.00 0.00 N ATOM 240 CA HIS A 16 75.748 -1.512 32.594 1.00 0.00 C ATOM 241 C HIS A 16 76.288 -2.918 32.314 1.00 0.00 C ATOM 242 O HIS A 16 77.453 -3.101 32.024 1.00 0.00 O ATOM 243 CB HIS A 16 74.219 -1.523 32.515 1.00 0.00 C ATOM 244 CG HIS A 16 73.708 -0.109 32.500 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.418 0.558 31.318 1.00 0.00 N ATOM 246 CD2 HIS A 16 73.426 0.777 33.511 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.983 1.790 31.644 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.970 1.971 32.966 1.00 0.00 N ATOM 0 H HIS A 16 76.823 0.232 32.003 1.00 0.00 H new ATOM 0 HA HIS A 16 76.060 -1.208 33.593 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.894 -2.048 31.617 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.804 -2.062 33.367 1.00 0.00 H new ATOM 0 HD2 HIS A 16 73.541 0.577 34.566 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.682 2.538 30.925 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.685 2.810 33.471 1.00 0.00 H new ATOM 257 N SER A 17 75.446 -3.912 32.418 1.00 0.00 N ATOM 258 CA SER A 17 75.895 -5.315 32.180 1.00 0.00 C ATOM 259 C SER A 17 75.914 -5.622 30.680 1.00 0.00 C ATOM 260 O SER A 17 76.318 -6.690 30.266 1.00 0.00 O ATOM 261 CB SER A 17 74.939 -6.279 32.885 1.00 0.00 C ATOM 262 OG SER A 17 75.449 -7.602 32.784 1.00 0.00 O ATOM 0 H SER A 17 74.460 -3.811 32.659 1.00 0.00 H new ATOM 0 HA SER A 17 76.903 -5.436 32.577 1.00 0.00 H new ATOM 0 HB2 SER A 17 74.828 -5.998 33.932 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.949 -6.223 32.433 1.00 0.00 H new ATOM 0 HG SER A 17 75.881 -7.720 31.912 1.00 0.00 H new ATOM 268 N ASN A 18 75.486 -4.703 29.855 1.00 0.00 N ATOM 269 CA ASN A 18 75.496 -4.972 28.388 1.00 0.00 C ATOM 270 C ASN A 18 76.914 -4.780 27.851 1.00 0.00 C ATOM 271 O ASN A 18 77.225 -3.781 27.233 1.00 0.00 O ATOM 272 CB ASN A 18 74.558 -3.998 27.672 1.00 0.00 C ATOM 273 CG ASN A 18 73.102 -4.353 27.979 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.802 -5.462 28.371 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.180 -3.447 27.810 1.00 0.00 N ATOM 0 H ASN A 18 75.133 -3.786 30.130 1.00 0.00 H new ATOM 0 HA ASN A 18 75.162 -5.994 28.210 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.767 -2.977 27.992 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.732 -4.037 26.597 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.204 -3.669 28.007 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.434 -2.516 27.481 1.00 0.00 H new ATOM 282 N TRP A 19 77.776 -5.732 28.082 1.00 0.00 N ATOM 283 CA TRP A 19 79.172 -5.605 27.582 1.00 0.00 C ATOM 284 C TRP A 19 79.184 -5.746 26.057 1.00 0.00 C ATOM 285 O TRP A 19 80.064 -5.249 25.384 1.00 0.00 O ATOM 286 CB TRP A 19 80.043 -6.703 28.203 1.00 0.00 C ATOM 287 CG TRP A 19 79.509 -8.047 27.824 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.602 -8.753 28.539 1.00 0.00 C ATOM 289 CD2 TRP A 19 79.826 -8.854 26.654 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.347 -9.944 27.883 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.076 -10.052 26.716 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.684 -8.666 25.554 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.173 -11.029 25.725 1.00 0.00 C ATOM 294 CZ3 TRP A 19 80.783 -9.648 24.553 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.029 -10.826 24.639 1.00 0.00 C ATOM 0 H TRP A 19 77.574 -6.590 28.594 1.00 0.00 H new ATOM 0 HA TRP A 19 79.568 -4.628 27.860 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.073 -6.601 27.860 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.056 -6.599 29.288 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.151 -8.438 29.469 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.699 -10.656 28.221 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.270 -7.762 25.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.591 -11.936 25.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.444 -9.494 23.713 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.109 -11.577 23.867 1.00 0.00 H new ATOM 306 N ARG A 20 78.218 -6.433 25.511 1.00 0.00 N ATOM 307 CA ARG A 20 78.177 -6.623 24.034 1.00 0.00 C ATOM 308 C ARG A 20 78.089 -5.265 23.340 1.00 0.00 C ATOM 309 O ARG A 20 78.728 -5.029 22.334 1.00 0.00 O ATOM 310 CB ARG A 20 76.949 -7.452 23.668 1.00 0.00 C ATOM 311 CG ARG A 20 77.140 -8.891 24.147 1.00 0.00 C ATOM 312 CD ARG A 20 75.904 -9.712 23.776 1.00 0.00 C ATOM 313 NE ARG A 20 76.072 -11.114 24.251 1.00 0.00 N ATOM 314 CZ ARG A 20 75.037 -11.907 24.314 1.00 0.00 C ATOM 315 NH1 ARG A 20 73.860 -11.469 23.959 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.180 -13.139 24.726 1.00 0.00 N ATOM 0 H ARG A 20 77.454 -6.872 26.025 1.00 0.00 H new ATOM 0 HA ARG A 20 79.083 -7.137 23.711 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.058 -7.021 24.125 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.794 -7.435 22.589 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.030 -9.324 23.690 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.294 -8.911 25.226 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.014 -9.270 24.224 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.757 -9.699 22.696 1.00 0.00 H new ATOM 0 HE ARG A 20 76.994 -11.453 24.526 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.750 -10.509 23.633 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.050 -12.087 24.007 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.101 -13.482 24.999 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.370 -13.758 24.775 1.00 0.00 H new ATOM 330 N ALA A 21 77.301 -4.371 23.867 1.00 0.00 N ATOM 331 CA ALA A 21 77.174 -3.033 23.230 1.00 0.00 C ATOM 332 C ALA A 21 78.508 -2.295 23.337 1.00 0.00 C ATOM 333 O ALA A 21 78.988 -1.714 22.383 1.00 0.00 O ATOM 334 CB ALA A 21 76.081 -2.232 23.947 1.00 0.00 C ATOM 0 H ALA A 21 76.741 -4.509 24.709 1.00 0.00 H new ATOM 0 HA ALA A 21 76.907 -3.148 22.179 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.985 -1.251 23.483 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.132 -2.763 23.872 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.347 -2.112 24.997 1.00 0.00 H new ATOM 340 N MET A 22 79.114 -2.318 24.491 1.00 0.00 N ATOM 341 CA MET A 22 80.417 -1.622 24.662 1.00 0.00 C ATOM 342 C MET A 22 81.456 -2.241 23.726 1.00 0.00 C ATOM 343 O MET A 22 82.244 -1.549 23.114 1.00 0.00 O ATOM 344 CB MET A 22 80.879 -1.766 26.114 1.00 0.00 C ATOM 345 CG MET A 22 82.207 -1.030 26.313 1.00 0.00 C ATOM 346 SD MET A 22 82.688 -1.108 28.057 1.00 0.00 S ATOM 347 CE MET A 22 82.879 -2.904 28.173 1.00 0.00 C ATOM 0 H MET A 22 78.762 -2.790 25.324 1.00 0.00 H new ATOM 0 HA MET A 22 80.302 -0.565 24.420 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.124 -1.360 26.787 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.996 -2.820 26.365 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.981 -1.480 25.691 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.110 0.009 25.998 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.544 -3.146 29.002 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.905 -3.363 28.342 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.304 -3.285 27.244 1.00 0.00 H new ATOM 357 N ALA A 23 81.469 -3.542 23.606 1.00 0.00 N ATOM 358 CA ALA A 23 82.464 -4.192 22.710 1.00 0.00 C ATOM 359 C ALA A 23 82.288 -3.663 21.286 1.00 0.00 C ATOM 360 O ALA A 23 83.246 -3.422 20.578 1.00 0.00 O ATOM 361 CB ALA A 23 82.247 -5.707 22.721 1.00 0.00 C ATOM 0 H ALA A 23 80.835 -4.179 24.089 1.00 0.00 H new ATOM 0 HA ALA A 23 83.471 -3.966 23.060 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.975 -6.184 22.065 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.371 -6.085 23.736 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.240 -5.933 22.370 1.00 0.00 H new ATOM 367 N SER A 24 81.068 -3.485 20.862 1.00 0.00 N ATOM 368 CA SER A 24 80.815 -2.977 19.483 1.00 0.00 C ATOM 369 C SER A 24 81.343 -1.546 19.339 1.00 0.00 C ATOM 370 O SER A 24 81.892 -1.175 18.319 1.00 0.00 O ATOM 371 CB SER A 24 79.312 -2.997 19.208 1.00 0.00 C ATOM 372 OG SER A 24 78.843 -4.340 19.243 1.00 0.00 O ATOM 0 H SER A 24 80.230 -3.670 21.414 1.00 0.00 H new ATOM 0 HA SER A 24 81.332 -3.616 18.767 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.787 -2.397 19.952 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.103 -2.552 18.235 1.00 0.00 H new ATOM 0 HG SER A 24 78.763 -4.634 20.174 1.00 0.00 H new ATOM 378 N ASP A 25 81.164 -0.731 20.342 1.00 0.00 N ATOM 379 CA ASP A 25 81.638 0.681 20.248 1.00 0.00 C ATOM 380 C ASP A 25 83.167 0.747 20.273 1.00 0.00 C ATOM 381 O ASP A 25 83.772 1.516 19.552 1.00 0.00 O ATOM 382 CB ASP A 25 81.084 1.481 21.428 1.00 0.00 C ATOM 383 CG ASP A 25 79.578 1.678 21.251 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.111 1.549 20.132 1.00 0.00 O ATOM 385 OD2 ASP A 25 78.918 1.963 22.237 1.00 0.00 O ATOM 0 H ASP A 25 80.711 -0.980 21.221 1.00 0.00 H new ATOM 0 HA ASP A 25 81.285 1.101 19.306 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.285 0.957 22.362 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.583 2.448 21.491 1.00 0.00 H new ATOM 390 N PHE A 26 83.800 -0.052 21.084 1.00 0.00 N ATOM 391 CA PHE A 26 85.295 -0.033 21.146 1.00 0.00 C ATOM 392 C PHE A 26 85.856 -1.111 20.213 1.00 0.00 C ATOM 393 O PHE A 26 87.053 -1.263 20.074 1.00 0.00 O ATOM 394 CB PHE A 26 85.750 -0.291 22.585 1.00 0.00 C ATOM 395 CG PHE A 26 85.429 0.921 23.437 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.195 1.014 24.093 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.370 1.951 23.573 1.00 0.00 C ATOM 398 CE1 PHE A 26 83.902 2.134 24.880 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.074 3.071 24.361 1.00 0.00 C ATOM 400 CZ PHE A 26 84.840 3.162 25.014 1.00 0.00 C ATOM 0 H PHE A 26 83.350 -0.720 21.709 1.00 0.00 H new ATOM 0 HA PHE A 26 85.665 0.942 20.827 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.250 -1.173 22.984 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.821 -0.494 22.609 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.469 0.221 23.992 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.323 1.881 23.070 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.950 2.204 25.385 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.799 3.865 24.464 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.612 4.026 25.621 1.00 0.00 H new ATOM 410 N ASN A 27 84.996 -1.844 19.556 1.00 0.00 N ATOM 411 CA ASN A 27 85.471 -2.896 18.609 1.00 0.00 C ATOM 412 C ASN A 27 86.486 -3.811 19.293 1.00 0.00 C ATOM 413 O ASN A 27 87.556 -4.058 18.771 1.00 0.00 O ATOM 414 CB ASN A 27 86.121 -2.239 17.391 1.00 0.00 C ATOM 415 CG ASN A 27 85.091 -1.375 16.662 1.00 0.00 C ATOM 416 OD1 ASN A 27 83.890 -1.845 16.457 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 85.381 -0.260 16.273 1.00 0.00 N flip ATOM 0 H ASN A 27 83.983 -1.759 19.635 1.00 0.00 H new ATOM 0 HA ASN A 27 84.614 -3.491 18.292 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.967 -1.627 17.704 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.511 -3.003 16.718 1.00 0.00 H new ATOM 0 HD21 ASN A 27 86.319 0.108 16.433 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.686 0.307 15.787 1.00 0.00 H new ATOM 424 N LEU A 28 86.160 -4.315 20.457 1.00 0.00 N ATOM 425 CA LEU A 28 87.101 -5.225 21.191 1.00 0.00 C ATOM 426 C LEU A 28 86.476 -6.624 21.298 1.00 0.00 C ATOM 427 O LEU A 28 85.269 -6.760 21.334 1.00 0.00 O ATOM 428 CB LEU A 28 87.320 -4.680 22.608 1.00 0.00 C ATOM 429 CG LEU A 28 88.268 -3.467 22.576 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.080 -2.633 23.850 1.00 0.00 C ATOM 431 CD2 LEU A 28 89.734 -3.934 22.501 1.00 0.00 C ATOM 0 H LEU A 28 85.277 -4.136 20.936 1.00 0.00 H new ATOM 0 HA LEU A 28 88.048 -5.279 20.655 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.364 -4.391 23.045 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.739 -5.460 23.244 1.00 0.00 H new ATOM 0 HG LEU A 28 88.034 -2.867 21.697 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.752 -1.775 23.826 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.049 -2.285 23.908 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.306 -3.246 24.723 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.392 -3.065 22.479 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.967 -4.544 23.374 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.882 -4.524 21.597 1.00 0.00 H new ATOM 443 N PRO A 29 87.283 -7.658 21.369 1.00 0.00 N ATOM 444 CA PRO A 29 86.767 -9.050 21.497 1.00 0.00 C ATOM 445 C PRO A 29 86.217 -9.304 22.915 1.00 0.00 C ATOM 446 O PRO A 29 86.702 -8.732 23.871 1.00 0.00 O ATOM 447 CB PRO A 29 87.999 -9.924 21.224 1.00 0.00 C ATOM 448 CG PRO A 29 89.165 -9.075 21.623 1.00 0.00 C ATOM 449 CD PRO A 29 88.759 -7.625 21.333 1.00 0.00 C ATOM 0 HA PRO A 29 85.943 -9.258 20.815 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.965 -10.847 21.803 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.058 -10.208 20.173 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.401 -9.209 22.679 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.057 -9.349 21.060 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.162 -6.940 22.079 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.128 -7.293 20.363 1.00 0.00 H new ATOM 457 N PRO A 30 85.226 -10.150 23.062 1.00 0.00 N ATOM 458 CA PRO A 30 84.639 -10.458 24.396 1.00 0.00 C ATOM 459 C PRO A 30 85.708 -10.598 25.495 1.00 0.00 C ATOM 460 O PRO A 30 85.424 -10.446 26.666 1.00 0.00 O ATOM 461 CB PRO A 30 83.927 -11.794 24.165 1.00 0.00 C ATOM 462 CG PRO A 30 83.507 -11.764 22.729 1.00 0.00 C ATOM 463 CD PRO A 30 84.548 -10.908 21.989 1.00 0.00 C ATOM 0 HA PRO A 30 83.983 -9.661 24.746 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.591 -12.635 24.365 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.067 -11.903 24.826 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.468 -12.772 22.315 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.509 -11.338 22.625 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.252 -11.529 21.434 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.075 -10.241 21.268 1.00 0.00 H new ATOM 471 N VAL A 31 86.929 -10.896 25.129 1.00 0.00 N ATOM 472 CA VAL A 31 87.997 -11.057 26.164 1.00 0.00 C ATOM 473 C VAL A 31 88.152 -9.765 26.968 1.00 0.00 C ATOM 474 O VAL A 31 88.073 -9.769 28.180 1.00 0.00 O ATOM 475 CB VAL A 31 89.327 -11.390 25.473 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.485 -11.314 26.482 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.247 -12.804 24.888 1.00 0.00 C ATOM 0 H VAL A 31 87.232 -11.034 24.165 1.00 0.00 H new ATOM 0 HA VAL A 31 87.718 -11.865 26.841 1.00 0.00 H new ATOM 0 HB VAL A 31 89.509 -10.668 24.677 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.422 -11.552 25.979 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.541 -10.307 26.896 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.314 -12.028 27.287 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.188 -13.048 24.395 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.061 -13.519 25.689 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.435 -12.852 24.163 1.00 0.00 H new ATOM 487 N VAL A 32 88.377 -8.664 26.315 1.00 0.00 N ATOM 488 CA VAL A 32 88.543 -7.391 27.065 1.00 0.00 C ATOM 489 C VAL A 32 87.192 -6.923 27.610 1.00 0.00 C ATOM 490 O VAL A 32 87.099 -6.449 28.723 1.00 0.00 O ATOM 491 CB VAL A 32 89.119 -6.319 26.142 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.186 -4.985 26.890 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.527 -6.726 25.683 1.00 0.00 C ATOM 0 H VAL A 32 88.453 -8.589 25.301 1.00 0.00 H new ATOM 0 HA VAL A 32 89.226 -7.559 27.898 1.00 0.00 H new ATOM 0 HB VAL A 32 88.477 -6.214 25.268 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.597 -4.219 26.232 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.184 -4.693 27.205 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.825 -5.091 27.767 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.932 -5.957 25.025 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.175 -6.838 26.552 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.475 -7.673 25.145 1.00 0.00 H new ATOM 503 N ALA A 33 86.147 -7.038 26.837 1.00 0.00 N ATOM 504 CA ALA A 33 84.816 -6.579 27.325 1.00 0.00 C ATOM 505 C ALA A 33 84.439 -7.358 28.585 1.00 0.00 C ATOM 506 O ALA A 33 84.115 -6.787 29.608 1.00 0.00 O ATOM 507 CB ALA A 33 83.766 -6.809 26.236 1.00 0.00 C ATOM 0 H ALA A 33 86.157 -7.427 25.894 1.00 0.00 H new ATOM 0 HA ALA A 33 84.860 -5.516 27.561 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.792 -6.473 26.593 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.039 -6.247 25.343 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.718 -7.871 25.995 1.00 0.00 H new ATOM 513 N LYS A 34 84.502 -8.657 28.530 1.00 0.00 N ATOM 514 CA LYS A 34 84.172 -9.469 29.733 1.00 0.00 C ATOM 515 C LYS A 34 85.130 -9.101 30.869 1.00 0.00 C ATOM 516 O LYS A 34 84.746 -9.021 32.018 1.00 0.00 O ATOM 517 CB LYS A 34 84.301 -10.961 29.412 1.00 0.00 C ATOM 518 CG LYS A 34 83.144 -11.387 28.505 1.00 0.00 C ATOM 519 CD LYS A 34 83.267 -12.878 28.180 1.00 0.00 C ATOM 520 CE LYS A 34 82.047 -13.331 27.369 1.00 0.00 C ATOM 521 NZ LYS A 34 80.885 -13.516 28.283 1.00 0.00 N ATOM 0 H LYS A 34 84.768 -9.193 27.704 1.00 0.00 H new ATOM 0 HA LYS A 34 83.146 -9.262 30.037 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.254 -11.158 28.921 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.290 -11.545 30.332 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.192 -11.189 28.997 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.155 -10.802 27.585 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.181 -13.063 27.615 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.339 -13.456 29.101 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.809 -12.590 26.606 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.268 -14.264 26.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.314 -14.323 27.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.228 -13.698 29.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.301 -12.656 28.280 1.00 0.00 H new ATOM 535 N GLU A 35 86.377 -8.896 30.555 1.00 0.00 N ATOM 536 CA GLU A 35 87.366 -8.550 31.615 1.00 0.00 C ATOM 537 C GLU A 35 86.988 -7.225 32.284 1.00 0.00 C ATOM 538 O GLU A 35 87.101 -7.079 33.487 1.00 0.00 O ATOM 539 CB GLU A 35 88.752 -8.418 30.985 1.00 0.00 C ATOM 540 CG GLU A 35 89.811 -8.267 32.084 1.00 0.00 C ATOM 541 CD GLU A 35 89.797 -6.841 32.642 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.341 -5.951 31.943 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.238 -6.666 33.765 1.00 0.00 O ATOM 0 H GLU A 35 86.756 -8.953 29.610 1.00 0.00 H new ATOM 0 HA GLU A 35 87.370 -9.338 32.368 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.970 -9.295 30.376 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.779 -7.554 30.321 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.618 -8.980 32.885 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.798 -8.498 31.682 1.00 0.00 H new ATOM 550 N ILE A 36 86.536 -6.258 31.531 1.00 0.00 N ATOM 551 CA ILE A 36 86.154 -4.961 32.156 1.00 0.00 C ATOM 552 C ILE A 36 85.033 -5.242 33.160 1.00 0.00 C ATOM 553 O ILE A 36 85.019 -4.721 34.258 1.00 0.00 O ATOM 554 CB ILE A 36 85.695 -3.982 31.067 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.908 -3.592 30.213 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.110 -2.720 31.710 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.442 -2.860 28.955 1.00 0.00 C ATOM 0 H ILE A 36 86.416 -6.310 30.519 1.00 0.00 H new ATOM 0 HA ILE A 36 87.000 -4.507 32.673 1.00 0.00 H new ATOM 0 HB ILE A 36 84.932 -4.456 30.450 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.579 -2.954 30.788 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.472 -4.483 29.938 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.787 -2.031 30.930 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.257 -2.991 32.332 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.870 -2.240 32.326 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.308 -2.585 28.352 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.788 -3.512 28.376 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.897 -1.960 29.239 1.00 0.00 H new ATOM 569 N VAL A 37 84.124 -6.107 32.804 1.00 0.00 N ATOM 570 CA VAL A 37 83.029 -6.485 33.742 1.00 0.00 C ATOM 571 C VAL A 37 83.653 -7.215 34.930 1.00 0.00 C ATOM 572 O VAL A 37 83.266 -7.031 36.067 1.00 0.00 O ATOM 573 CB VAL A 37 82.055 -7.422 33.018 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.071 -8.038 34.021 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.281 -6.627 31.962 1.00 0.00 C ATOM 0 H VAL A 37 84.092 -6.572 31.897 1.00 0.00 H new ATOM 0 HA VAL A 37 82.492 -5.601 34.085 1.00 0.00 H new ATOM 0 HB VAL A 37 82.617 -8.223 32.538 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.384 -8.702 33.496 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.623 -8.606 34.770 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.506 -7.245 34.511 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.587 -7.289 31.444 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.724 -5.825 32.446 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.980 -6.201 31.243 1.00 0.00 H new ATOM 585 N ALA A 38 84.618 -8.050 34.658 1.00 0.00 N ATOM 586 CA ALA A 38 85.292 -8.816 35.742 1.00 0.00 C ATOM 587 C ALA A 38 85.950 -7.856 36.741 1.00 0.00 C ATOM 588 O ALA A 38 86.303 -8.241 37.838 1.00 0.00 O ATOM 589 CB ALA A 38 86.363 -9.722 35.131 1.00 0.00 C ATOM 0 H ALA A 38 84.972 -8.236 33.719 1.00 0.00 H new ATOM 0 HA ALA A 38 84.549 -9.418 36.265 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.859 -10.284 35.922 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.897 -10.415 34.431 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.098 -9.113 34.604 1.00 0.00 H new ATOM 595 N SER A 39 86.135 -6.613 36.370 1.00 0.00 N ATOM 596 CA SER A 39 86.790 -5.642 37.304 1.00 0.00 C ATOM 597 C SER A 39 85.725 -4.850 38.066 1.00 0.00 C ATOM 598 O SER A 39 85.871 -4.571 39.239 1.00 0.00 O ATOM 599 CB SER A 39 87.658 -4.675 36.495 1.00 0.00 C ATOM 600 OG SER A 39 88.771 -5.378 35.959 1.00 0.00 O ATOM 0 H SER A 39 85.863 -6.229 35.465 1.00 0.00 H new ATOM 0 HA SER A 39 87.407 -6.188 38.017 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.073 -4.230 35.690 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.001 -3.858 37.130 1.00 0.00 H new ATOM 0 HG SER A 39 88.657 -5.482 34.991 1.00 0.00 H new ATOM 606 N CYS A 40 84.651 -4.494 37.418 1.00 0.00 N ATOM 607 CA CYS A 40 83.577 -3.732 38.119 1.00 0.00 C ATOM 608 C CYS A 40 83.043 -4.576 39.281 1.00 0.00 C ATOM 609 O CYS A 40 82.815 -5.755 39.136 1.00 0.00 O ATOM 610 CB CYS A 40 82.449 -3.430 37.137 1.00 0.00 C ATOM 611 SG CYS A 40 81.369 -2.157 37.830 1.00 0.00 S ATOM 0 H CYS A 40 84.469 -4.697 36.435 1.00 0.00 H new ATOM 0 HA CYS A 40 83.977 -2.794 38.505 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.861 -3.093 36.186 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.877 -4.336 36.934 1.00 0.00 H new ATOM 0 HG CYS A 40 80.409 -1.899 36.992 1.00 0.00 H new ATOM 616 N ASP A 41 82.856 -3.988 40.433 1.00 0.00 N ATOM 617 CA ASP A 41 82.352 -4.772 41.603 1.00 0.00 C ATOM 618 C ASP A 41 80.837 -5.001 41.497 1.00 0.00 C ATOM 619 O ASP A 41 80.323 -6.024 41.905 1.00 0.00 O ATOM 620 CB ASP A 41 82.646 -4.002 42.893 1.00 0.00 C ATOM 621 CG ASP A 41 84.151 -4.000 43.158 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.841 -4.797 42.545 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.586 -3.200 43.971 1.00 0.00 O ATOM 0 H ASP A 41 83.030 -3.000 40.616 1.00 0.00 H new ATOM 0 HA ASP A 41 82.856 -5.739 41.612 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.280 -2.979 42.809 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.120 -4.461 43.730 1.00 0.00 H new ATOM 628 N LYS A 42 80.116 -4.040 40.987 1.00 0.00 N ATOM 629 CA LYS A 42 78.630 -4.180 40.892 1.00 0.00 C ATOM 630 C LYS A 42 78.245 -5.226 39.836 1.00 0.00 C ATOM 631 O LYS A 42 77.332 -6.005 40.031 1.00 0.00 O ATOM 632 CB LYS A 42 78.042 -2.822 40.500 1.00 0.00 C ATOM 633 CG LYS A 42 78.207 -1.845 41.664 1.00 0.00 C ATOM 634 CD LYS A 42 77.624 -0.484 41.275 1.00 0.00 C ATOM 635 CE LYS A 42 77.810 0.518 42.422 1.00 0.00 C ATOM 636 NZ LYS A 42 77.798 1.904 41.870 1.00 0.00 N ATOM 0 H LYS A 42 80.491 -3.161 40.630 1.00 0.00 H new ATOM 0 HA LYS A 42 78.238 -4.507 41.855 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.545 -2.437 39.613 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.987 -2.929 40.247 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.701 -2.229 42.550 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.262 -1.741 41.919 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.115 -0.113 40.375 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.565 -0.587 41.041 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.014 0.400 43.157 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.751 0.328 42.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.924 2.587 42.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.573 2.011 41.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.889 2.081 41.396 1.00 0.00 H new ATOM 650 N CYS A 43 78.926 -5.256 38.722 1.00 0.00 N ATOM 651 CA CYS A 43 78.585 -6.255 37.665 1.00 0.00 C ATOM 652 C CYS A 43 79.231 -7.604 37.994 1.00 0.00 C ATOM 653 O CYS A 43 78.973 -8.600 37.347 1.00 0.00 O ATOM 654 CB CYS A 43 79.083 -5.764 36.306 1.00 0.00 C ATOM 655 SG CYS A 43 78.380 -4.133 35.952 1.00 0.00 S ATOM 0 H CYS A 43 79.702 -4.634 38.497 1.00 0.00 H new ATOM 0 HA CYS A 43 77.502 -6.376 37.628 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.172 -5.710 36.305 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.798 -6.471 35.526 1.00 0.00 H new ATOM 0 HG CYS A 43 78.807 -3.718 34.797 1.00 0.00 H new ATOM 660 N GLN A 44 80.077 -7.642 38.987 1.00 0.00 N ATOM 661 CA GLN A 44 80.750 -8.924 39.345 1.00 0.00 C ATOM 662 C GLN A 44 79.726 -9.895 39.935 1.00 0.00 C ATOM 663 O GLN A 44 79.507 -10.973 39.420 1.00 0.00 O ATOM 664 CB GLN A 44 81.833 -8.644 40.392 1.00 0.00 C ATOM 665 CG GLN A 44 82.719 -9.877 40.568 1.00 0.00 C ATOM 666 CD GLN A 44 83.634 -10.029 39.348 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.118 -8.962 38.773 1.00 0.00 O flip ATOM 668 NE2 GLN A 44 83.912 -11.128 38.916 1.00 0.00 N flip ATOM 0 H GLN A 44 80.331 -6.842 39.566 1.00 0.00 H new ATOM 0 HA GLN A 44 81.196 -9.363 38.452 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.438 -7.792 40.083 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.371 -8.379 41.343 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.317 -9.782 41.474 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.102 -10.768 40.686 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.534 -11.963 39.364 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.523 -11.217 38.104 1.00 0.00 H new ATOM 677 N LEU A 45 79.101 -9.517 41.013 1.00 0.00 N ATOM 678 CA LEU A 45 78.091 -10.408 41.652 1.00 0.00 C ATOM 679 C LEU A 45 76.733 -10.209 40.978 1.00 0.00 C ATOM 680 O LEU A 45 76.439 -9.155 40.450 1.00 0.00 O ATOM 681 CB LEU A 45 77.977 -10.055 43.135 1.00 0.00 C ATOM 682 CG LEU A 45 79.340 -10.227 43.822 1.00 0.00 C ATOM 683 CD1 LEU A 45 79.212 -9.819 45.293 1.00 0.00 C ATOM 684 CD2 LEU A 45 79.803 -11.696 43.727 1.00 0.00 C ATOM 0 H LEU A 45 79.246 -8.624 41.483 1.00 0.00 H new ATOM 0 HA LEU A 45 78.400 -11.448 41.543 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.631 -9.027 43.247 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.236 -10.695 43.614 1.00 0.00 H new ATOM 0 HG LEU A 45 80.078 -9.596 43.326 1.00 0.00 H new ATOM 0 HD11 LEU A 45 80.175 -9.938 45.789 1.00 0.00 H new ATOM 0 HD12 LEU A 45 78.898 -8.777 45.356 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.471 -10.451 45.783 1.00 0.00 H new ATOM 0 HD21 LEU A 45 80.770 -11.805 44.218 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.073 -12.340 44.217 1.00 0.00 H new ATOM 0 HD23 LEU A 45 79.893 -11.982 42.679 1.00 0.00 H new ATOM 839 N PHE B 1 95.798 -11.673 22.535 1.00 0.00 N ATOM 840 CA PHE B 1 94.931 -12.850 22.820 1.00 0.00 C ATOM 841 C PHE B 1 95.578 -14.101 22.226 1.00 0.00 C ATOM 842 O PHE B 1 95.584 -14.301 21.028 1.00 0.00 O ATOM 843 CB PHE B 1 93.552 -12.619 22.197 1.00 0.00 C ATOM 844 CG PHE B 1 93.143 -11.179 22.426 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.852 -10.736 23.720 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.066 -10.285 21.348 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.482 -9.402 23.941 1.00 0.00 C ATOM 848 CE2 PHE B 1 92.696 -8.949 21.569 1.00 0.00 C ATOM 849 CZ PHE B 1 92.405 -8.510 22.865 1.00 0.00 C ATOM 0 H1 PHE B 1 95.204 -10.832 22.386 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.435 -11.508 23.340 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.361 -11.855 21.680 1.00 0.00 H new ATOM 0 HA PHE B 1 94.817 -12.984 23.896 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.580 -12.837 21.129 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.820 -13.294 22.641 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.912 -11.423 24.551 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.291 -10.624 20.348 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.256 -9.063 24.941 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.636 -8.261 20.739 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.121 -7.482 23.035 1.00 0.00 H new ATOM 861 N LEU B 2 96.144 -14.933 23.061 1.00 0.00 N ATOM 862 CA LEU B 2 96.823 -16.169 22.559 1.00 0.00 C ATOM 863 C LEU B 2 95.915 -17.387 22.701 1.00 0.00 C ATOM 864 O LEU B 2 95.264 -17.578 23.700 1.00 0.00 O ATOM 865 CB LEU B 2 98.105 -16.407 23.365 1.00 0.00 C ATOM 866 CG LEU B 2 98.974 -15.143 23.360 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.247 -15.407 24.171 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.352 -14.769 21.917 1.00 0.00 C ATOM 0 H LEU B 2 96.166 -14.811 24.073 1.00 0.00 H new ATOM 0 HA LEU B 2 97.058 -16.028 21.504 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.854 -16.681 24.390 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.662 -17.242 22.939 1.00 0.00 H new ATOM 0 HG LEU B 2 98.416 -14.319 23.804 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.870 -14.513 24.172 1.00 0.00 H new ATOM 0 HD12 LEU B 2 99.979 -15.663 25.196 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.799 -16.233 23.723 1.00 0.00 H new ATOM 0 HD21 LEU B 2 99.969 -13.870 21.924 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.909 -15.588 21.463 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.446 -14.583 21.340 1.00 0.00 H new ATOM 880 N ASP B 3 95.894 -18.228 21.709 1.00 0.00 N ATOM 881 CA ASP B 3 95.055 -19.455 21.795 1.00 0.00 C ATOM 882 C ASP B 3 95.536 -20.269 22.991 1.00 0.00 C ATOM 883 O ASP B 3 94.755 -20.844 23.722 1.00 0.00 O ATOM 884 CB ASP B 3 95.200 -20.283 20.518 1.00 0.00 C ATOM 885 CG ASP B 3 94.520 -19.556 19.355 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.589 -18.810 19.614 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.940 -19.756 18.228 1.00 0.00 O ATOM 0 H ASP B 3 96.421 -18.121 20.842 1.00 0.00 H new ATOM 0 HA ASP B 3 94.006 -19.184 21.912 1.00 0.00 H new ATOM 0 HB2 ASP B 3 96.255 -20.442 20.294 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.752 -21.267 20.657 1.00 0.00 H new ATOM 892 N GLY B 4 96.828 -20.309 23.202 1.00 0.00 N ATOM 893 CA GLY B 4 97.377 -21.069 24.362 1.00 0.00 C ATOM 894 C GLY B 4 96.606 -20.681 25.627 1.00 0.00 C ATOM 895 O GLY B 4 96.709 -21.321 26.653 1.00 0.00 O ATOM 0 H GLY B 4 97.526 -19.847 22.619 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.291 -22.141 24.184 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.438 -20.850 24.486 1.00 0.00 H new ATOM 899 N ILE B 5 95.817 -19.644 25.550 1.00 0.00 N ATOM 900 CA ILE B 5 95.018 -19.223 26.731 1.00 0.00 C ATOM 901 C ILE B 5 94.096 -20.380 27.127 1.00 0.00 C ATOM 902 O ILE B 5 93.804 -20.586 28.289 1.00 0.00 O ATOM 903 CB ILE B 5 94.213 -17.962 26.376 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.155 -16.758 26.374 1.00 0.00 C ATOM 905 CG2 ILE B 5 93.096 -17.737 27.405 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.456 -15.559 25.728 1.00 0.00 C ATOM 0 H ILE B 5 95.692 -19.070 24.716 1.00 0.00 H new ATOM 0 HA ILE B 5 95.665 -18.983 27.575 1.00 0.00 H new ATOM 0 HB ILE B 5 93.762 -18.087 25.392 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.450 -16.513 27.394 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.067 -16.998 25.827 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.534 -16.841 27.142 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.427 -18.597 27.409 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.533 -17.613 28.396 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.129 -14.702 25.728 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.183 -15.806 24.702 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.557 -15.314 26.294 1.00 0.00 H new ATOM 918 N ASP B 6 93.657 -21.153 26.175 1.00 0.00 N ATOM 919 CA ASP B 6 92.782 -22.310 26.509 1.00 0.00 C ATOM 920 C ASP B 6 93.556 -23.237 27.447 1.00 0.00 C ATOM 921 O ASP B 6 93.015 -23.779 28.390 1.00 0.00 O ATOM 922 CB ASP B 6 92.399 -23.064 25.233 1.00 0.00 C ATOM 923 CG ASP B 6 91.417 -22.225 24.415 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.942 -21.228 24.937 1.00 0.00 O ATOM 925 OD2 ASP B 6 91.156 -22.590 23.281 1.00 0.00 O ATOM 0 H ASP B 6 93.865 -21.035 25.183 1.00 0.00 H new ATOM 0 HA ASP B 6 91.868 -21.962 26.990 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.290 -23.276 24.643 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.949 -24.024 25.487 1.00 0.00 H new ATOM 930 N LYS B 7 94.826 -23.407 27.202 1.00 0.00 N ATOM 931 CA LYS B 7 95.652 -24.280 28.083 1.00 0.00 C ATOM 932 C LYS B 7 95.675 -23.679 29.493 1.00 0.00 C ATOM 933 O LYS B 7 95.618 -24.382 30.482 1.00 0.00 O ATOM 934 CB LYS B 7 97.087 -24.356 27.540 1.00 0.00 C ATOM 935 CG LYS B 7 97.895 -25.374 28.357 1.00 0.00 C ATOM 936 CD LYS B 7 99.366 -25.373 27.912 1.00 0.00 C ATOM 937 CE LYS B 7 99.545 -26.224 26.649 1.00 0.00 C ATOM 938 NZ LYS B 7 99.109 -27.621 26.928 1.00 0.00 N ATOM 0 H LYS B 7 95.329 -22.977 26.426 1.00 0.00 H new ATOM 0 HA LYS B 7 95.226 -25.283 28.110 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.074 -24.646 26.489 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.559 -23.375 27.594 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.829 -25.132 29.418 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.471 -26.370 28.230 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.693 -24.351 27.719 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.995 -25.763 28.713 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.961 -25.806 25.829 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.589 -26.213 26.334 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.581 -28.271 26.267 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.363 -27.875 27.904 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.078 -27.694 26.808 1.00 0.00 H new ATOM 952 N ALA B 8 95.773 -22.381 29.586 1.00 0.00 N ATOM 953 CA ALA B 8 95.815 -21.720 30.923 1.00 0.00 C ATOM 954 C ALA B 8 94.544 -22.042 31.714 1.00 0.00 C ATOM 955 O ALA B 8 94.588 -22.244 32.911 1.00 0.00 O ATOM 956 CB ALA B 8 95.920 -20.204 30.739 1.00 0.00 C ATOM 0 H ALA B 8 95.826 -21.746 28.790 1.00 0.00 H new ATOM 0 HA ALA B 8 96.681 -22.090 31.471 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.951 -19.720 31.715 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.830 -19.967 30.188 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.054 -19.844 30.183 1.00 0.00 H new ATOM 962 N GLN B 9 93.413 -22.081 31.067 1.00 0.00 N ATOM 963 CA GLN B 9 92.153 -22.376 31.803 1.00 0.00 C ATOM 964 C GLN B 9 92.263 -23.756 32.456 1.00 0.00 C ATOM 965 O GLN B 9 91.868 -23.953 33.590 1.00 0.00 O ATOM 966 CB GLN B 9 90.984 -22.380 30.818 1.00 0.00 C ATOM 967 CG GLN B 9 90.721 -20.956 30.331 1.00 0.00 C ATOM 968 CD GLN B 9 89.696 -20.984 29.196 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.495 -22.005 28.567 1.00 0.00 O ATOM 970 NE2 GLN B 9 89.034 -19.899 28.906 1.00 0.00 N ATOM 0 H GLN B 9 93.307 -21.922 30.065 1.00 0.00 H new ATOM 0 HA GLN B 9 91.988 -21.617 32.568 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.210 -23.029 29.972 1.00 0.00 H new ATOM 0 HB3 GLN B 9 90.092 -22.782 31.298 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.352 -20.342 31.153 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.649 -20.502 29.985 1.00 0.00 H new ATOM 0 HE21 GLN B 9 89.202 -19.042 29.434 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.348 -19.907 28.152 1.00 0.00 H new ATOM 979 N GLU B 10 92.799 -24.709 31.747 1.00 0.00 N ATOM 980 CA GLU B 10 92.943 -26.081 32.311 1.00 0.00 C ATOM 981 C GLU B 10 93.825 -26.043 33.562 1.00 0.00 C ATOM 982 O GLU B 10 93.575 -26.734 34.531 1.00 0.00 O ATOM 983 CB GLU B 10 93.586 -26.994 31.263 1.00 0.00 C ATOM 984 CG GLU B 10 93.661 -28.426 31.805 1.00 0.00 C ATOM 985 CD GLU B 10 94.301 -29.335 30.756 1.00 0.00 C ATOM 986 OE1 GLU B 10 94.485 -28.879 29.640 1.00 0.00 O ATOM 987 OE2 GLU B 10 94.600 -30.471 31.087 1.00 0.00 O ATOM 0 H GLU B 10 93.146 -24.596 30.795 1.00 0.00 H new ATOM 0 HA GLU B 10 91.958 -26.463 32.580 1.00 0.00 H new ATOM 0 HB2 GLU B 10 93.004 -26.973 30.342 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.585 -26.635 31.017 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.245 -28.448 32.725 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.662 -28.785 32.052 1.00 0.00 H new ATOM 994 N GLU B 11 94.870 -25.262 33.540 1.00 0.00 N ATOM 995 CA GLU B 11 95.790 -25.199 34.717 1.00 0.00 C ATOM 996 C GLU B 11 95.332 -24.109 35.687 1.00 0.00 C ATOM 997 O GLU B 11 95.947 -23.886 36.710 1.00 0.00 O ATOM 998 CB GLU B 11 97.207 -24.885 34.231 1.00 0.00 C ATOM 999 CG GLU B 11 97.740 -26.064 33.415 1.00 0.00 C ATOM 1000 CD GLU B 11 99.145 -25.740 32.904 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.598 -24.632 33.138 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.742 -26.604 32.282 1.00 0.00 O ATOM 0 H GLU B 11 95.129 -24.662 32.757 1.00 0.00 H new ATOM 0 HA GLU B 11 95.778 -26.159 35.233 1.00 0.00 H new ATOM 0 HB2 GLU B 11 97.202 -23.981 33.623 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.861 -24.693 35.082 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.764 -26.964 34.030 1.00 0.00 H new ATOM 0 HG3 GLU B 11 97.075 -26.269 32.576 1.00 0.00 H new ATOM 1009 N CYS B 12 94.256 -23.432 35.386 1.00 0.00 N ATOM 1010 CA CYS B 12 93.772 -22.366 36.311 1.00 0.00 C ATOM 1011 C CYS B 12 93.708 -22.926 37.733 1.00 0.00 C ATOM 1012 O CYS B 12 94.109 -22.284 38.683 1.00 0.00 O ATOM 1013 CB CYS B 12 92.376 -21.912 35.883 1.00 0.00 C ATOM 1014 SG CYS B 12 91.827 -20.559 36.956 1.00 0.00 S ATOM 0 H CYS B 12 93.695 -23.569 34.546 1.00 0.00 H new ATOM 0 HA CYS B 12 94.455 -21.517 36.279 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.391 -21.583 34.844 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.676 -22.745 35.943 1.00 0.00 H new ATOM 0 HG CYS B 12 90.744 -20.030 36.468 1.00 0.00 H new ATOM 1019 N GLU B 13 93.210 -24.121 37.879 1.00 0.00 N ATOM 1020 CA GLU B 13 93.118 -24.738 39.233 1.00 0.00 C ATOM 1021 C GLU B 13 94.521 -24.863 39.836 1.00 0.00 C ATOM 1022 O GLU B 13 94.724 -24.649 41.015 1.00 0.00 O ATOM 1023 CB GLU B 13 92.492 -26.129 39.116 1.00 0.00 C ATOM 1024 CG GLU B 13 91.027 -26.000 38.699 1.00 0.00 C ATOM 1025 CD GLU B 13 90.219 -25.389 39.844 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.646 -25.519 40.980 1.00 0.00 O ATOM 1027 OE2 GLU B 13 89.188 -24.801 39.565 1.00 0.00 O ATOM 0 H GLU B 13 92.861 -24.701 37.116 1.00 0.00 H new ATOM 0 HA GLU B 13 92.500 -24.111 39.876 1.00 0.00 H new ATOM 0 HB2 GLU B 13 93.038 -26.724 38.384 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.564 -26.652 40.069 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.945 -25.375 37.809 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.625 -26.979 38.439 1.00 0.00 H new ATOM 1034 N LYS B 14 95.486 -25.226 39.035 1.00 0.00 N ATOM 1035 CA LYS B 14 96.876 -25.386 39.552 1.00 0.00 C ATOM 1036 C LYS B 14 97.377 -24.051 40.114 1.00 0.00 C ATOM 1037 O LYS B 14 98.029 -24.010 41.137 1.00 0.00 O ATOM 1038 CB LYS B 14 97.785 -25.856 38.405 1.00 0.00 C ATOM 1039 CG LYS B 14 99.238 -26.039 38.882 1.00 0.00 C ATOM 1040 CD LYS B 14 99.341 -27.212 39.868 1.00 0.00 C ATOM 1041 CE LYS B 14 100.807 -27.630 40.006 1.00 0.00 C ATOM 1042 NZ LYS B 14 100.931 -28.692 41.043 1.00 0.00 N ATOM 0 H LYS B 14 95.371 -25.420 38.040 1.00 0.00 H new ATOM 0 HA LYS B 14 96.891 -26.127 40.352 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.410 -26.798 38.004 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.755 -25.129 37.593 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.887 -26.219 38.025 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.587 -25.124 39.360 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.941 -26.922 40.839 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.743 -28.052 39.515 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.182 -27.996 39.050 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.417 -26.769 40.279 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 101.928 -28.974 41.134 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 100.589 -28.328 41.955 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.362 -29.517 40.765 1.00 0.00 H new ATOM 1056 N TYR B 15 97.080 -22.957 39.463 1.00 0.00 N ATOM 1057 CA TYR B 15 97.550 -21.636 39.981 1.00 0.00 C ATOM 1058 C TYR B 15 96.524 -21.099 40.979 1.00 0.00 C ATOM 1059 O TYR B 15 96.791 -20.175 41.721 1.00 0.00 O ATOM 1060 CB TYR B 15 97.707 -20.645 38.826 1.00 0.00 C ATOM 1061 CG TYR B 15 98.850 -21.079 37.937 1.00 0.00 C ATOM 1062 CD1 TYR B 15 100.158 -20.662 38.220 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.604 -21.899 36.831 1.00 0.00 C ATOM 1064 CE1 TYR B 15 101.216 -21.067 37.396 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.661 -22.304 36.008 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.966 -21.887 36.290 1.00 0.00 C ATOM 1067 OH TYR B 15 102.008 -22.287 35.477 1.00 0.00 O ATOM 0 H TYR B 15 96.536 -22.919 38.601 1.00 0.00 H new ATOM 0 HA TYR B 15 98.515 -21.762 40.471 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.784 -20.594 38.249 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.895 -19.644 39.215 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.350 -20.028 39.073 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.596 -22.220 36.612 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.224 -20.747 37.614 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.469 -22.938 35.155 1.00 0.00 H new ATOM 0 HH TYR B 15 102.749 -21.651 35.558 1.00 0.00 H new ATOM 1077 N HIS B 16 95.357 -21.681 41.006 1.00 0.00 N ATOM 1078 CA HIS B 16 94.303 -21.228 41.964 1.00 0.00 C ATOM 1079 C HIS B 16 93.964 -19.753 41.728 1.00 0.00 C ATOM 1080 O HIS B 16 93.839 -19.305 40.606 1.00 0.00 O ATOM 1081 CB HIS B 16 94.799 -21.416 43.401 1.00 0.00 C ATOM 1082 CG HIS B 16 95.397 -22.790 43.549 1.00 0.00 C ATOM 1083 ND1 HIS B 16 96.760 -23.020 43.417 1.00 0.00 N ATOM 1084 CD2 HIS B 16 94.835 -24.013 43.820 1.00 0.00 C ATOM 1085 CE1 HIS B 16 96.971 -24.336 43.607 1.00 0.00 C ATOM 1086 NE2 HIS B 16 95.830 -24.983 43.856 1.00 0.00 N ATOM 0 H HIS B 16 95.084 -22.457 40.402 1.00 0.00 H new ATOM 0 HA HIS B 16 93.405 -21.825 41.805 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.542 -20.656 43.643 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.974 -21.289 44.102 1.00 0.00 H new ATOM 0 HD2 HIS B 16 93.782 -24.194 43.980 1.00 0.00 H new ATOM 0 HE1 HIS B 16 97.941 -24.809 43.563 1.00 0.00 H new ATOM 0 HE2 HIS B 16 95.713 -25.980 44.035 1.00 0.00 H new ATOM 1095 N SER B 17 93.800 -19.001 42.785 1.00 0.00 N ATOM 1096 CA SER B 17 93.450 -17.559 42.639 1.00 0.00 C ATOM 1097 C SER B 17 94.712 -16.730 42.376 1.00 0.00 C ATOM 1098 O SER B 17 94.638 -15.538 42.154 1.00 0.00 O ATOM 1099 CB SER B 17 92.776 -17.071 43.920 1.00 0.00 C ATOM 1100 OG SER B 17 92.312 -15.740 43.730 1.00 0.00 O ATOM 0 H SER B 17 93.894 -19.326 43.747 1.00 0.00 H new ATOM 0 HA SER B 17 92.770 -17.441 41.796 1.00 0.00 H new ATOM 0 HB2 SER B 17 91.943 -17.725 44.178 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.480 -17.108 44.751 1.00 0.00 H new ATOM 0 HG SER B 17 92.945 -15.251 43.164 1.00 0.00 H new ATOM 1106 N ASN B 18 95.867 -17.339 42.392 1.00 0.00 N ATOM 1107 CA ASN B 18 97.113 -16.559 42.134 1.00 0.00 C ATOM 1108 C ASN B 18 97.262 -16.333 40.631 1.00 0.00 C ATOM 1109 O ASN B 18 98.047 -16.983 39.970 1.00 0.00 O ATOM 1110 CB ASN B 18 98.330 -17.335 42.643 1.00 0.00 C ATOM 1111 CG ASN B 18 98.347 -17.334 44.170 1.00 0.00 C ATOM 1112 OD1 ASN B 18 97.729 -16.498 44.798 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.040 -18.244 44.797 1.00 0.00 N ATOM 0 H ASN B 18 96.002 -18.334 42.571 1.00 0.00 H new ATOM 0 HA ASN B 18 97.050 -15.603 42.653 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.300 -18.359 42.272 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.246 -16.884 42.260 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.064 -18.254 45.817 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.558 -18.945 44.268 1.00 0.00 H new ATOM 1120 N TRP B 19 96.515 -15.412 40.087 1.00 0.00 N ATOM 1121 CA TRP B 19 96.616 -15.138 38.627 1.00 0.00 C ATOM 1122 C TRP B 19 97.952 -14.454 38.329 1.00 0.00 C ATOM 1123 O TRP B 19 98.475 -14.539 37.236 1.00 0.00 O ATOM 1124 CB TRP B 19 95.467 -14.224 38.195 1.00 0.00 C ATOM 1125 CG TRP B 19 95.542 -12.930 38.938 1.00 0.00 C ATOM 1126 CD1 TRP B 19 94.926 -12.673 40.114 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.265 -11.715 38.580 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.219 -11.376 40.499 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.044 -10.746 39.587 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.083 -11.361 37.490 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 96.613 -9.474 39.518 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.658 -10.083 37.417 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.424 -9.141 38.429 1.00 0.00 C ATOM 0 H TRP B 19 95.839 -14.838 40.591 1.00 0.00 H new ATOM 0 HA TRP B 19 96.557 -16.077 38.077 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.520 -14.041 37.122 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.511 -14.710 38.389 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.306 -13.366 40.663 1.00 0.00 H new ATOM 0 HE1 TRP B 19 94.869 -10.939 41.351 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.269 -12.078 36.704 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.428 -8.752 40.300 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.284 -9.823 36.576 1.00 0.00 H new ATOM 0 HH2 TRP B 19 97.870 -8.159 38.367 1.00 0.00 H new ATOM 1144 N ARG B 20 98.501 -13.764 39.289 1.00 0.00 N ATOM 1145 CA ARG B 20 99.797 -13.061 39.060 1.00 0.00 C ATOM 1146 C ARG B 20 100.878 -14.072 38.679 1.00 0.00 C ATOM 1147 O ARG B 20 101.690 -13.831 37.808 1.00 0.00 O ATOM 1148 CB ARG B 20 100.214 -12.350 40.345 1.00 0.00 C ATOM 1149 CG ARG B 20 99.279 -11.170 40.606 1.00 0.00 C ATOM 1150 CD ARG B 20 99.704 -10.464 41.895 1.00 0.00 C ATOM 1151 NE ARG B 20 98.786 -9.324 42.169 1.00 0.00 N ATOM 1152 CZ ARG B 20 98.772 -8.772 43.350 1.00 0.00 C ATOM 1153 NH1 ARG B 20 99.557 -9.222 44.288 1.00 0.00 N ATOM 1154 NH2 ARG B 20 97.975 -7.771 43.592 1.00 0.00 N ATOM 0 H ARG B 20 98.109 -13.655 40.224 1.00 0.00 H new ATOM 0 HA ARG B 20 99.676 -12.339 38.252 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.181 -13.045 41.184 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.243 -12.000 40.261 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.311 -10.473 39.768 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.250 -11.519 40.691 1.00 0.00 H new ATOM 0 HD2 ARG B 20 99.686 -11.166 42.728 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.729 -10.104 41.803 1.00 0.00 H new ATOM 0 HE ARG B 20 98.170 -8.976 41.435 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.182 -10.006 44.098 1.00 0.00 H new ATOM 0 HH12 ARG B 20 99.547 -8.791 45.212 1.00 0.00 H new ATOM 0 HH21 ARG B 20 97.361 -7.419 42.857 1.00 0.00 H new ATOM 0 HH22 ARG B 20 97.964 -7.339 44.516 1.00 0.00 H new ATOM 1168 N ALA B 21 100.898 -15.203 39.327 1.00 0.00 N ATOM 1169 CA ALA B 21 101.930 -16.223 39.001 1.00 0.00 C ATOM 1170 C ALA B 21 101.690 -16.743 37.583 1.00 0.00 C ATOM 1171 O ALA B 21 102.604 -16.856 36.791 1.00 0.00 O ATOM 1172 CB ALA B 21 101.834 -17.383 39.996 1.00 0.00 C ATOM 0 H ALA B 21 100.246 -15.464 40.066 1.00 0.00 H new ATOM 0 HA ALA B 21 102.922 -15.776 39.064 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.590 -18.131 39.757 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.999 -17.010 41.007 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.844 -17.835 39.933 1.00 0.00 H new ATOM 1178 N MET B 22 100.465 -17.054 37.256 1.00 0.00 N ATOM 1179 CA MET B 22 100.164 -17.562 35.889 1.00 0.00 C ATOM 1180 C MET B 22 100.529 -16.496 34.853 1.00 0.00 C ATOM 1181 O MET B 22 101.087 -16.793 33.817 1.00 0.00 O ATOM 1182 CB MET B 22 98.672 -17.886 35.791 1.00 0.00 C ATOM 1183 CG MET B 22 98.350 -18.435 34.399 1.00 0.00 C ATOM 1184 SD MET B 22 96.606 -18.924 34.329 1.00 0.00 S ATOM 1185 CE MET B 22 95.886 -17.286 34.597 1.00 0.00 C ATOM 0 H MET B 22 99.660 -16.978 37.878 1.00 0.00 H new ATOM 0 HA MET B 22 100.747 -18.463 35.696 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.399 -18.617 36.552 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.083 -16.990 35.984 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.557 -17.679 33.642 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.988 -19.291 34.178 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.892 -17.248 34.152 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.812 -17.092 35.667 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.520 -16.530 34.134 1.00 0.00 H new ATOM 1195 N ALA B 23 100.225 -15.255 35.122 1.00 0.00 N ATOM 1196 CA ALA B 23 100.560 -14.183 34.143 1.00 0.00 C ATOM 1197 C ALA B 23 102.068 -14.179 33.887 1.00 0.00 C ATOM 1198 O ALA B 23 102.522 -14.001 32.775 1.00 0.00 O ATOM 1199 CB ALA B 23 100.141 -12.826 34.709 1.00 0.00 C ATOM 0 H ALA B 23 99.761 -14.939 35.974 1.00 0.00 H new ATOM 0 HA ALA B 23 100.031 -14.369 33.208 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.386 -12.042 33.993 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.067 -12.825 34.895 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.671 -12.642 35.644 1.00 0.00 H new ATOM 1205 N SER B 24 102.847 -14.371 34.914 1.00 0.00 N ATOM 1206 CA SER B 24 104.329 -14.376 34.744 1.00 0.00 C ATOM 1207 C SER B 24 104.762 -15.563 33.874 1.00 0.00 C ATOM 1208 O SER B 24 105.654 -15.453 33.056 1.00 0.00 O ATOM 1209 CB SER B 24 104.989 -14.484 36.117 1.00 0.00 C ATOM 1210 OG SER B 24 104.662 -13.335 36.890 1.00 0.00 O ATOM 0 H SER B 24 102.521 -14.525 35.868 1.00 0.00 H new ATOM 0 HA SER B 24 104.636 -13.452 34.254 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.650 -15.387 36.626 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.070 -14.567 36.007 1.00 0.00 H new ATOM 0 HG SER B 24 103.741 -13.411 37.216 1.00 0.00 H new ATOM 1216 N ASP B 25 104.157 -16.702 34.060 1.00 0.00 N ATOM 1217 CA ASP B 25 104.549 -17.898 33.257 1.00 0.00 C ATOM 1218 C ASP B 25 104.120 -17.735 31.798 1.00 0.00 C ATOM 1219 O ASP B 25 104.842 -18.095 30.889 1.00 0.00 O ATOM 1220 CB ASP B 25 103.883 -19.142 33.843 1.00 0.00 C ATOM 1221 CG ASP B 25 104.525 -19.488 35.186 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.630 -19.031 35.428 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.903 -20.211 35.947 1.00 0.00 O ATOM 0 H ASP B 25 103.407 -16.859 34.733 1.00 0.00 H new ATOM 0 HA ASP B 25 105.633 -18.002 33.293 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.815 -18.967 33.974 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.986 -19.980 33.154 1.00 0.00 H new ATOM 1228 N PHE B 26 102.955 -17.201 31.559 1.00 0.00 N ATOM 1229 CA PHE B 26 102.490 -17.019 30.147 1.00 0.00 C ATOM 1230 C PHE B 26 102.843 -15.606 29.672 1.00 0.00 C ATOM 1231 O PHE B 26 102.585 -15.236 28.544 1.00 0.00 O ATOM 1232 CB PHE B 26 100.975 -17.236 30.078 1.00 0.00 C ATOM 1233 CG PHE B 26 100.669 -18.706 30.277 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.447 -19.213 31.563 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.605 -19.562 29.169 1.00 0.00 C ATOM 1236 CE1 PHE B 26 100.166 -20.572 31.741 1.00 0.00 C ATOM 1237 CE2 PHE B 26 100.323 -20.921 29.348 1.00 0.00 C ATOM 1238 CZ PHE B 26 100.104 -21.427 30.634 1.00 0.00 C ATOM 0 H PHE B 26 102.303 -16.882 32.275 1.00 0.00 H new ATOM 0 HA PHE B 26 102.983 -17.745 29.500 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.476 -16.642 30.844 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.592 -16.900 29.114 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.493 -18.555 32.418 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.774 -19.172 28.176 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.997 -20.962 32.734 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.274 -21.579 28.493 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.887 -22.476 30.773 1.00 0.00 H new ATOM 1248 N ASN B 27 103.454 -14.822 30.521 1.00 0.00 N ATOM 1249 CA ASN B 27 103.850 -13.440 30.122 1.00 0.00 C ATOM 1250 C ASN B 27 102.657 -12.697 29.520 1.00 0.00 C ATOM 1251 O ASN B 27 102.754 -12.120 28.455 1.00 0.00 O ATOM 1252 CB ASN B 27 104.978 -13.504 29.092 1.00 0.00 C ATOM 1253 CG ASN B 27 106.200 -14.183 29.712 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.569 -13.860 30.922 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.827 -15.018 29.091 1.00 0.00 N flip ATOM 0 H ASN B 27 103.697 -15.081 31.477 1.00 0.00 H new ATOM 0 HA ASN B 27 104.191 -12.906 31.009 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.650 -14.057 28.212 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.238 -12.499 28.759 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.541 -15.272 28.146 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.640 -15.465 29.515 1.00 0.00 H new ATOM 1262 N LEU B 28 101.535 -12.704 30.194 1.00 0.00 N ATOM 1263 CA LEU B 28 100.321 -11.994 29.672 1.00 0.00 C ATOM 1264 C LEU B 28 99.963 -10.839 30.617 1.00 0.00 C ATOM 1265 O LEU B 28 100.225 -10.908 31.802 1.00 0.00 O ATOM 1266 CB LEU B 28 99.145 -12.975 29.633 1.00 0.00 C ATOM 1267 CG LEU B 28 99.291 -13.941 28.443 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.446 -15.195 28.694 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.805 -13.270 27.149 1.00 0.00 C ATOM 0 H LEU B 28 101.404 -13.174 31.090 1.00 0.00 H new ATOM 0 HA LEU B 28 100.525 -11.609 28.673 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.103 -13.539 30.565 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.207 -12.425 29.551 1.00 0.00 H new ATOM 0 HG LEU B 28 100.342 -14.210 28.340 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.550 -15.878 27.851 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.787 -15.687 29.605 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.399 -14.912 28.805 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.914 -13.964 26.316 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.756 -12.992 27.255 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.399 -12.377 26.957 1.00 0.00 H new ATOM 1281 N PRO B 29 99.349 -9.791 30.112 1.00 0.00 N ATOM 1282 CA PRO B 29 98.941 -8.635 30.958 1.00 0.00 C ATOM 1283 C PRO B 29 97.729 -8.996 31.837 1.00 0.00 C ATOM 1284 O PRO B 29 96.903 -9.798 31.445 1.00 0.00 O ATOM 1285 CB PRO B 29 98.577 -7.547 29.938 1.00 0.00 C ATOM 1286 CG PRO B 29 98.153 -8.297 28.716 1.00 0.00 C ATOM 1287 CD PRO B 29 98.981 -9.587 28.697 1.00 0.00 C ATOM 0 HA PRO B 29 99.724 -8.320 31.648 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.775 -6.909 30.309 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.429 -6.899 29.729 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.086 -8.520 28.746 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.330 -7.707 27.816 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.404 -10.427 28.309 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.863 -9.487 28.065 1.00 0.00 H new ATOM 1295 N PRO B 30 97.610 -8.417 33.009 1.00 0.00 N ATOM 1296 CA PRO B 30 96.466 -8.706 33.919 1.00 0.00 C ATOM 1297 C PRO B 30 95.130 -8.816 33.171 1.00 0.00 C ATOM 1298 O PRO B 30 94.187 -9.412 33.652 1.00 0.00 O ATOM 1299 CB PRO B 30 96.458 -7.498 34.861 1.00 0.00 C ATOM 1300 CG PRO B 30 97.889 -7.067 34.950 1.00 0.00 C ATOM 1301 CD PRO B 30 98.539 -7.433 33.605 1.00 0.00 C ATOM 0 HA PRO B 30 96.579 -9.664 34.427 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.828 -6.698 34.472 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.064 -7.765 35.842 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.961 -5.996 35.137 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.395 -7.569 35.775 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.654 -6.557 32.967 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.533 -7.858 33.746 1.00 0.00 H new ATOM 1309 N VAL B 31 95.032 -8.231 32.006 1.00 0.00 N ATOM 1310 CA VAL B 31 93.745 -8.295 31.256 1.00 0.00 C ATOM 1311 C VAL B 31 93.373 -9.752 30.971 1.00 0.00 C ATOM 1312 O VAL B 31 92.295 -10.202 31.302 1.00 0.00 O ATOM 1313 CB VAL B 31 93.886 -7.537 29.926 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.660 -7.803 29.032 1.00 0.00 C ATOM 1315 CG2 VAL B 31 93.997 -6.036 30.211 1.00 0.00 C ATOM 0 H VAL B 31 95.782 -7.716 31.545 1.00 0.00 H new ATOM 0 HA VAL B 31 92.961 -7.837 31.860 1.00 0.00 H new ATOM 0 HB VAL B 31 94.781 -7.882 29.409 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.770 -7.261 28.093 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.583 -8.871 28.828 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.758 -7.465 29.542 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.097 -5.494 29.271 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.101 -5.697 30.732 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.872 -5.848 30.834 1.00 0.00 H new ATOM 1325 N VAL B 32 94.245 -10.495 30.354 1.00 0.00 N ATOM 1326 CA VAL B 32 93.910 -11.913 30.052 1.00 0.00 C ATOM 1327 C VAL B 32 93.939 -12.742 31.336 1.00 0.00 C ATOM 1328 O VAL B 32 93.105 -13.596 31.546 1.00 0.00 O ATOM 1329 CB VAL B 32 94.916 -12.484 29.057 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.630 -13.972 28.835 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.816 -11.730 27.724 1.00 0.00 C ATOM 0 H VAL B 32 95.168 -10.186 30.048 1.00 0.00 H new ATOM 0 HA VAL B 32 92.910 -11.953 29.620 1.00 0.00 H new ATOM 0 HB VAL B 32 95.923 -12.367 29.457 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.349 -14.379 28.124 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.716 -14.504 29.782 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.621 -14.094 28.440 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.537 -12.142 27.018 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.809 -11.838 27.320 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.031 -10.674 27.886 1.00 0.00 H new ATOM 1341 N ALA B 33 94.896 -12.510 32.192 1.00 0.00 N ATOM 1342 CA ALA B 33 94.968 -13.307 33.449 1.00 0.00 C ATOM 1343 C ALA B 33 93.686 -13.101 34.256 1.00 0.00 C ATOM 1344 O ALA B 33 93.026 -14.045 34.642 1.00 0.00 O ATOM 1345 CB ALA B 33 96.180 -12.857 34.269 1.00 0.00 C ATOM 0 H ALA B 33 95.627 -11.808 32.077 1.00 0.00 H new ATOM 0 HA ALA B 33 95.073 -14.365 33.208 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.234 -13.439 35.189 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.090 -13.011 33.688 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.081 -11.800 34.514 1.00 0.00 H new ATOM 1351 N LYS B 34 93.314 -11.877 34.493 1.00 0.00 N ATOM 1352 CA LYS B 34 92.058 -11.618 35.250 1.00 0.00 C ATOM 1353 C LYS B 34 90.875 -12.226 34.495 1.00 0.00 C ATOM 1354 O LYS B 34 89.963 -12.777 35.079 1.00 0.00 O ATOM 1355 CB LYS B 34 91.850 -10.112 35.414 1.00 0.00 C ATOM 1356 CG LYS B 34 92.862 -9.563 36.425 1.00 0.00 C ATOM 1357 CD LYS B 34 92.657 -8.056 36.594 1.00 0.00 C ATOM 1358 CE LYS B 34 93.594 -7.526 37.685 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.033 -7.858 39.024 1.00 0.00 N ATOM 0 H LYS B 34 93.823 -11.045 34.196 1.00 0.00 H new ATOM 0 HA LYS B 34 92.131 -12.074 36.237 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.971 -9.611 34.454 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.834 -9.909 35.754 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.741 -10.066 37.384 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.877 -9.766 36.084 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.854 -7.545 35.652 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.620 -7.848 36.859 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.585 -7.967 37.574 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.712 -6.447 37.585 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.603 -7.398 39.763 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.051 -7.519 39.083 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.052 -8.889 39.163 1.00 0.00 H new ATOM 1373 N GLU B 35 90.875 -12.112 33.196 1.00 0.00 N ATOM 1374 CA GLU B 35 89.745 -12.668 32.398 1.00 0.00 C ATOM 1375 C GLU B 35 89.658 -14.186 32.584 1.00 0.00 C ATOM 1376 O GLU B 35 88.583 -14.741 32.697 1.00 0.00 O ATOM 1377 CB GLU B 35 89.965 -12.353 30.916 1.00 0.00 C ATOM 1378 CG GLU B 35 88.714 -12.735 30.111 1.00 0.00 C ATOM 1379 CD GLU B 35 88.664 -14.252 29.905 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.708 -14.880 29.978 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.578 -14.762 29.681 1.00 0.00 O ATOM 0 H GLU B 35 91.608 -11.658 32.652 1.00 0.00 H new ATOM 0 HA GLU B 35 88.815 -12.214 32.741 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.181 -11.292 30.789 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.830 -12.901 30.543 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.819 -12.402 30.636 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.725 -12.229 29.146 1.00 0.00 H new ATOM 1388 N ILE B 36 90.771 -14.869 32.627 1.00 0.00 N ATOM 1389 CA ILE B 36 90.716 -16.347 32.816 1.00 0.00 C ATOM 1390 C ILE B 36 90.028 -16.621 34.155 1.00 0.00 C ATOM 1391 O ILE B 36 89.203 -17.504 34.278 1.00 0.00 O ATOM 1392 CB ILE B 36 92.137 -16.924 32.787 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.694 -16.791 31.364 1.00 0.00 C ATOM 1394 CG2 ILE B 36 92.111 -18.405 33.181 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.196 -17.076 31.368 1.00 0.00 C ATOM 0 H ILE B 36 91.707 -14.472 32.540 1.00 0.00 H new ATOM 0 HA ILE B 36 90.152 -16.826 32.015 1.00 0.00 H new ATOM 0 HB ILE B 36 92.765 -16.379 33.492 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.184 -17.487 30.697 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.506 -15.788 30.982 1.00 0.00 H new ATOM 0 HG21 ILE B 36 93.124 -18.806 33.157 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.704 -18.507 34.187 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.486 -18.957 32.479 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.587 -16.980 30.355 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.700 -16.363 32.020 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.373 -18.088 31.731 1.00 0.00 H new ATOM 1407 N VAL B 37 90.336 -15.831 35.148 1.00 0.00 N ATOM 1408 CA VAL B 37 89.673 -15.987 36.474 1.00 0.00 C ATOM 1409 C VAL B 37 88.190 -15.652 36.305 1.00 0.00 C ATOM 1410 O VAL B 37 87.323 -16.292 36.866 1.00 0.00 O ATOM 1411 CB VAL B 37 90.311 -15.008 37.466 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.483 -14.953 38.757 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.735 -15.475 37.789 1.00 0.00 C ATOM 0 H VAL B 37 91.023 -15.079 35.097 1.00 0.00 H new ATOM 0 HA VAL B 37 89.788 -17.005 36.847 1.00 0.00 H new ATOM 0 HB VAL B 37 90.340 -14.013 37.022 1.00 0.00 H new ATOM 0 HG11 VAL B 37 89.944 -14.255 39.456 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.471 -14.620 38.526 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.445 -15.945 39.207 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.194 -14.782 38.494 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.700 -16.471 38.230 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.325 -15.504 36.873 1.00 0.00 H new ATOM 1423 N ALA B 38 87.906 -14.642 35.532 1.00 0.00 N ATOM 1424 CA ALA B 38 86.493 -14.231 35.302 1.00 0.00 C ATOM 1425 C ALA B 38 85.703 -15.377 34.660 1.00 0.00 C ATOM 1426 O ALA B 38 84.488 -15.368 34.646 1.00 0.00 O ATOM 1427 CB ALA B 38 86.471 -13.013 34.374 1.00 0.00 C ATOM 0 H ALA B 38 88.601 -14.077 35.044 1.00 0.00 H new ATOM 0 HA ALA B 38 86.033 -13.980 36.258 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.440 -12.706 34.201 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.021 -12.193 34.836 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.937 -13.272 33.423 1.00 0.00 H new ATOM 1433 N SER B 39 86.377 -16.358 34.113 1.00 0.00 N ATOM 1434 CA SER B 39 85.650 -17.491 33.458 1.00 0.00 C ATOM 1435 C SER B 39 85.504 -18.654 34.442 1.00 0.00 C ATOM 1436 O SER B 39 84.484 -19.313 34.485 1.00 0.00 O ATOM 1437 CB SER B 39 86.443 -17.958 32.235 1.00 0.00 C ATOM 1438 OG SER B 39 86.403 -16.947 31.235 1.00 0.00 O ATOM 0 H SER B 39 87.395 -16.424 34.091 1.00 0.00 H new ATOM 0 HA SER B 39 84.660 -17.155 33.151 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.475 -18.168 32.515 1.00 0.00 H new ATOM 0 HB3 SER B 39 86.023 -18.886 31.847 1.00 0.00 H new ATOM 0 HG SER B 39 87.281 -16.516 31.170 1.00 0.00 H new ATOM 1444 N CYS B 40 86.504 -18.908 35.239 1.00 0.00 N ATOM 1445 CA CYS B 40 86.403 -20.022 36.225 1.00 0.00 C ATOM 1446 C CYS B 40 85.235 -19.748 37.177 1.00 0.00 C ATOM 1447 O CYS B 40 85.064 -18.645 37.645 1.00 0.00 O ATOM 1448 CB CYS B 40 87.706 -20.111 37.018 1.00 0.00 C ATOM 1449 SG CYS B 40 87.776 -21.694 37.891 1.00 0.00 S ATOM 0 H CYS B 40 87.385 -18.394 35.251 1.00 0.00 H new ATOM 0 HA CYS B 40 86.232 -20.964 35.705 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.560 -20.016 36.347 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.767 -19.288 37.730 1.00 0.00 H new ATOM 0 HG CYS B 40 88.886 -21.770 38.564 1.00 0.00 H new ATOM 1454 N ASP B 41 84.425 -20.734 37.456 1.00 0.00 N ATOM 1455 CA ASP B 41 83.260 -20.511 38.367 1.00 0.00 C ATOM 1456 C ASP B 41 83.710 -20.492 39.834 1.00 0.00 C ATOM 1457 O ASP B 41 83.163 -19.776 40.650 1.00 0.00 O ATOM 1458 CB ASP B 41 82.245 -21.641 38.179 1.00 0.00 C ATOM 1459 CG ASP B 41 81.585 -21.513 36.807 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.695 -20.452 36.214 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.979 -22.479 36.372 1.00 0.00 O ATOM 0 H ASP B 41 84.518 -21.683 37.094 1.00 0.00 H new ATOM 0 HA ASP B 41 82.810 -19.549 38.121 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.741 -22.608 38.266 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.489 -21.599 38.963 1.00 0.00 H new ATOM 1466 N LYS B 42 84.674 -21.297 40.182 1.00 0.00 N ATOM 1467 CA LYS B 42 85.129 -21.353 41.605 1.00 0.00 C ATOM 1468 C LYS B 42 85.869 -20.066 41.994 1.00 0.00 C ATOM 1469 O LYS B 42 85.706 -19.558 43.085 1.00 0.00 O ATOM 1470 CB LYS B 42 86.072 -22.545 41.763 1.00 0.00 C ATOM 1471 CG LYS B 42 85.278 -23.846 41.620 1.00 0.00 C ATOM 1472 CD LYS B 42 86.224 -25.043 41.767 1.00 0.00 C ATOM 1473 CE LYS B 42 85.445 -26.353 41.589 1.00 0.00 C ATOM 1474 NZ LYS B 42 86.383 -27.428 41.161 1.00 0.00 N ATOM 0 H LYS B 42 85.169 -21.920 39.544 1.00 0.00 H new ATOM 0 HA LYS B 42 84.260 -21.458 42.255 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.859 -22.502 41.010 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.560 -22.510 42.737 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.496 -23.892 42.378 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.783 -23.877 40.649 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.021 -24.981 41.026 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.699 -25.023 42.748 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.958 -26.630 42.524 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.658 -26.224 40.846 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.859 -28.318 41.039 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 86.828 -27.162 40.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 87.118 -27.556 41.885 1.00 0.00 H new ATOM 1488 N CYS B 43 86.683 -19.534 41.122 1.00 0.00 N ATOM 1489 CA CYS B 43 87.426 -18.284 41.463 1.00 0.00 C ATOM 1490 C CYS B 43 86.525 -17.063 41.240 1.00 0.00 C ATOM 1491 O CYS B 43 86.871 -15.952 41.589 1.00 0.00 O ATOM 1492 CB CYS B 43 88.675 -18.167 40.590 1.00 0.00 C ATOM 1493 SG CYS B 43 89.703 -19.644 40.795 1.00 0.00 S ATOM 0 H CYS B 43 86.866 -19.909 40.191 1.00 0.00 H new ATOM 0 HA CYS B 43 87.723 -18.324 42.511 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.390 -18.053 39.544 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.241 -17.277 40.865 1.00 0.00 H new ATOM 0 HG CYS B 43 90.763 -19.542 40.049 1.00 0.00 H new ATOM 1498 N GLN B 44 85.375 -17.258 40.653 1.00 0.00 N ATOM 1499 CA GLN B 44 84.462 -16.106 40.396 1.00 0.00 C ATOM 1500 C GLN B 44 83.907 -15.582 41.722 1.00 0.00 C ATOM 1501 O GLN B 44 84.089 -14.435 42.076 1.00 0.00 O ATOM 1502 CB GLN B 44 83.294 -16.579 39.524 1.00 0.00 C ATOM 1503 CG GLN B 44 82.485 -15.375 39.042 1.00 0.00 C ATOM 1504 CD GLN B 44 83.297 -14.597 38.006 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.302 -13.295 38.046 1.00 0.00 O flip ATOM 1506 NE2 GLN B 44 83.933 -15.181 37.150 1.00 0.00 N flip ATOM 0 H GLN B 44 85.028 -18.165 40.340 1.00 0.00 H new ATOM 0 HA GLN B 44 85.013 -15.313 39.891 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.671 -17.141 38.669 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.654 -17.254 40.092 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.543 -15.707 38.606 1.00 0.00 H new ATOM 0 HG3 GLN B 44 82.237 -14.730 39.884 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.929 -16.201 37.118 1.00 0.00 H new ATOM 0 HE22 GLN B 44 84.470 -14.651 36.464 1.00 0.00 H new ATOM 1515 N LEU B 45 83.226 -16.417 42.453 1.00 0.00 N ATOM 1516 CA LEU B 45 82.648 -15.980 43.755 1.00 0.00 C ATOM 1517 C LEU B 45 83.702 -16.119 44.852 1.00 0.00 C ATOM 1518 O LEU B 45 84.593 -16.939 44.767 1.00 0.00 O ATOM 1519 CB LEU B 45 81.443 -16.857 44.096 1.00 0.00 C ATOM 1520 CG LEU B 45 80.385 -16.745 42.991 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.213 -17.673 43.321 1.00 0.00 C ATOM 1522 CD2 LEU B 45 79.884 -15.292 42.878 1.00 0.00 C ATOM 0 H LEU B 45 83.043 -17.389 42.204 1.00 0.00 H new ATOM 0 HA LEU B 45 82.333 -14.939 43.682 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.757 -17.895 44.206 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.017 -16.550 45.051 1.00 0.00 H new ATOM 0 HG LEU B 45 80.828 -17.036 42.038 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.458 -17.597 42.539 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.569 -18.701 43.383 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.776 -17.382 44.276 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.134 -15.226 42.090 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.443 -14.984 43.826 1.00 0.00 H new ATOM 0 HD23 LEU B 45 80.721 -14.636 42.638 1.00 0.00 H new