USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 12 HIS : no HD1:sc= -3.44 K(o=-2.6,f=-4.2!) USER MOD Set 1.2: B 16 HIS : no HD1:sc= -0.0917 K(o=-2.6,f=-3.6) USER MOD Set 1.3: B 22 MET CE :methyl -162:sc= -0.263 (180deg=-1.89) USER MOD Set 1.4: B 40 CYS SG : rot -145:sc= 1.02 USER MOD Set 1.5: B 43 CYS SG : rot 180:sc= 0.155 USER MOD Set 2.1: A 12 HIS : no HD1:sc= -3.43 K(o=-2.3,f=-3.4!) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -0.0508 K(o=-2.3,f=-2.8) USER MOD Set 2.3: A 22 MET CE :methyl -160:sc= -0.257 (180deg=-2.27) USER MOD Set 2.4: A 40 CYS SG : rot -144:sc= 1.17 USER MOD Set 2.5: A 43 CYS SG : rot -170:sc= 0.24 USER MOD Single : A 1 PHE N :NH3+ 150:sc= 0.477 (180deg=0.104) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.0173 (180deg=-0.367) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= -0.321 (180deg=-1.46!) USER MOD Single : A 15 TYR OH : rot 30:sc= 0 USER MOD Single : A 17 SER OG : rot -92:sc= -0.0667 USER MOD Single : A 18 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.4!) USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= -1.39 (180deg=-2) USER MOD Single : A 39 SER OG : rot 72:sc=-0.00094 USER MOD Single : A 42 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00245) USER MOD Single : A 44 GLN : amide:sc= -3.41! C(o=-3.4!,f=-6.2!) USER MOD Single : B 1 PHE N :NH3+ 149:sc= 0.506 (180deg=0.126) USER MOD Single : B 7 LYS NZ :NH3+ 162:sc= -0.027 (180deg=-0.34) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 14 LYS NZ :NH3+ 150:sc= -0.291 (180deg=-1.48!) USER MOD Single : B 15 TYR OH : rot 30:sc=-0.00218 USER MOD Single : B 17 SER OG : rot -86:sc= -0.106 USER MOD Single : B 18 ASN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.7!) USER MOD Single : B 34 LYS NZ :NH3+ 167:sc= -1.18 (180deg=-1.85) USER MOD Single : B 39 SER OG : rot -50:sc= -0.273 USER MOD Single : B 42 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0399) USER MOD Single : B 44 GLN :FLIP amide:sc= -3.14! C(o=-5.6!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.020 -3.840 23.955 1.00 0.00 N ATOM 2 CA PHE A 1 94.412 -4.369 25.205 1.00 0.00 C ATOM 3 C PHE A 1 93.994 -3.203 26.110 1.00 0.00 C ATOM 4 O PHE A 1 92.826 -2.922 26.287 1.00 0.00 O ATOM 5 CB PHE A 1 95.442 -5.238 25.939 1.00 0.00 C ATOM 6 CG PHE A 1 95.672 -6.532 25.187 1.00 0.00 C ATOM 7 CD1 PHE A 1 94.871 -7.651 25.463 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.691 -6.622 24.224 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.085 -8.850 24.779 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.903 -7.827 23.540 1.00 0.00 C ATOM 11 CZ PHE A 1 96.098 -8.940 23.818 1.00 0.00 C ATOM 0 H1 PHE A 1 95.725 -4.516 23.599 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.278 -3.704 23.239 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.482 -2.929 24.152 1.00 0.00 H new ATOM 0 HA PHE A 1 93.534 -4.966 24.957 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.382 -4.695 26.037 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.092 -5.454 26.948 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.089 -7.585 26.205 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.311 -5.763 24.011 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.467 -9.710 24.992 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.686 -7.898 22.799 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.260 -9.868 23.290 1.00 0.00 H new ATOM 23 N LEU A 2 94.947 -2.542 26.696 1.00 0.00 N ATOM 24 CA LEU A 2 94.635 -1.408 27.616 1.00 0.00 C ATOM 25 C LEU A 2 94.098 -0.197 26.847 1.00 0.00 C ATOM 26 O LEU A 2 93.218 0.501 27.315 1.00 0.00 O ATOM 27 CB LEU A 2 95.912 -1.009 28.349 1.00 0.00 C ATOM 28 CG LEU A 2 96.574 -2.254 28.951 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.797 -1.829 29.767 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.573 -2.992 29.855 1.00 0.00 C ATOM 0 H LEU A 2 95.941 -2.738 26.579 1.00 0.00 H new ATOM 0 HA LEU A 2 93.868 -1.731 28.320 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.599 -0.517 27.661 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.682 -0.291 29.136 1.00 0.00 H new ATOM 0 HG LEU A 2 96.886 -2.924 28.150 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.272 -2.711 30.197 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.507 -1.315 29.118 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.485 -1.158 30.567 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.049 -3.876 30.280 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.253 -2.330 30.660 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.706 -3.294 29.267 1.00 0.00 H new ATOM 42 N ASP A 3 94.625 0.083 25.690 1.00 0.00 N ATOM 43 CA ASP A 3 94.136 1.274 24.934 1.00 0.00 C ATOM 44 C ASP A 3 92.659 1.097 24.561 1.00 0.00 C ATOM 45 O ASP A 3 91.852 1.989 24.745 1.00 0.00 O ATOM 46 CB ASP A 3 94.963 1.443 23.656 1.00 0.00 C ATOM 47 CG ASP A 3 96.401 1.813 24.024 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.621 2.199 25.159 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.258 1.708 23.161 1.00 0.00 O ATOM 0 H ASP A 3 95.365 -0.453 25.236 1.00 0.00 H new ATOM 0 HA ASP A 3 94.241 2.158 25.563 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.951 0.519 23.077 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.526 2.219 23.027 1.00 0.00 H new ATOM 54 N GLY A 4 92.294 -0.042 24.043 1.00 0.00 N ATOM 55 CA GLY A 4 90.866 -0.250 23.663 1.00 0.00 C ATOM 56 C GLY A 4 89.998 -0.250 24.914 1.00 0.00 C ATOM 57 O GLY A 4 88.970 0.393 24.969 1.00 0.00 O ATOM 0 H GLY A 4 92.915 -0.832 23.867 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.542 0.538 22.983 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.755 -1.195 23.131 1.00 0.00 H new ATOM 61 N ILE A 5 90.399 -0.977 25.910 1.00 0.00 N ATOM 62 CA ILE A 5 89.595 -1.030 27.159 1.00 0.00 C ATOM 63 C ILE A 5 89.440 0.364 27.776 1.00 0.00 C ATOM 64 O ILE A 5 88.389 0.707 28.273 1.00 0.00 O ATOM 65 CB ILE A 5 90.287 -1.963 28.148 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.170 -3.403 27.639 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.639 -1.843 29.530 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.031 -4.350 28.492 1.00 0.00 C ATOM 0 H ILE A 5 91.250 -1.539 25.916 1.00 0.00 H new ATOM 0 HA ILE A 5 88.598 -1.403 26.924 1.00 0.00 H new ATOM 0 HB ILE A 5 91.338 -1.687 28.234 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.128 -3.722 27.671 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.487 -3.453 26.597 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.142 -2.514 30.227 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.728 -0.817 29.886 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.585 -2.113 29.462 1.00 0.00 H new ATOM 0 HD11 ILE A 5 90.935 -5.368 28.115 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.075 -4.040 28.438 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.695 -4.314 29.528 1.00 0.00 H new ATOM 80 N ASP A 6 90.465 1.171 27.761 1.00 0.00 N ATOM 81 CA ASP A 6 90.325 2.520 28.376 1.00 0.00 C ATOM 82 C ASP A 6 89.114 3.231 27.759 1.00 0.00 C ATOM 83 O ASP A 6 88.281 3.770 28.461 1.00 0.00 O ATOM 84 CB ASP A 6 91.595 3.336 28.107 1.00 0.00 C ATOM 85 CG ASP A 6 92.786 2.703 28.838 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.571 1.748 29.568 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.894 3.182 28.652 1.00 0.00 O ATOM 0 H ASP A 6 91.378 0.960 27.357 1.00 0.00 H new ATOM 0 HA ASP A 6 90.181 2.422 29.452 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.793 3.374 27.036 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.455 4.364 28.442 1.00 0.00 H new ATOM 92 N LYS A 7 88.983 3.209 26.460 1.00 0.00 N ATOM 93 CA LYS A 7 87.795 3.867 25.830 1.00 0.00 C ATOM 94 C LYS A 7 86.529 3.071 26.158 1.00 0.00 C ATOM 95 O LYS A 7 85.498 3.631 26.484 1.00 0.00 O ATOM 96 CB LYS A 7 87.980 3.929 24.308 1.00 0.00 C ATOM 97 CG LYS A 7 89.177 4.822 23.970 1.00 0.00 C ATOM 98 CD LYS A 7 89.299 4.948 22.449 1.00 0.00 C ATOM 99 CE LYS A 7 90.562 5.734 22.093 1.00 0.00 C ATOM 100 NZ LYS A 7 91.752 4.897 22.398 1.00 0.00 N ATOM 0 H LYS A 7 89.637 2.770 25.812 1.00 0.00 H new ATOM 0 HA LYS A 7 87.699 4.879 26.223 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.138 2.927 23.910 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.078 4.320 23.838 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.049 5.807 24.419 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.091 4.398 24.386 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.336 3.958 21.995 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.421 5.451 22.045 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.552 6.005 21.037 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.600 6.664 22.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.572 5.253 21.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.954 4.939 23.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 91.563 3.912 22.123 1.00 0.00 H new ATOM 114 N ALA A 8 86.594 1.771 26.076 1.00 0.00 N ATOM 115 CA ALA A 8 85.395 0.946 26.390 1.00 0.00 C ATOM 116 C ALA A 8 85.062 1.056 27.873 1.00 0.00 C ATOM 117 O ALA A 8 83.910 1.043 28.261 1.00 0.00 O ATOM 118 CB ALA A 8 85.668 -0.513 26.027 1.00 0.00 C ATOM 0 H ALA A 8 87.425 1.245 25.805 1.00 0.00 H new ATOM 0 HA ALA A 8 84.547 1.310 25.809 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.790 -1.116 26.257 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.890 -0.588 24.963 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.519 -0.878 26.602 1.00 0.00 H new ATOM 124 N GLN A 9 86.055 1.156 28.712 1.00 0.00 N ATOM 125 CA GLN A 9 85.775 1.257 30.168 1.00 0.00 C ATOM 126 C GLN A 9 84.917 2.491 30.431 1.00 0.00 C ATOM 127 O GLN A 9 83.999 2.460 31.227 1.00 0.00 O ATOM 128 CB GLN A 9 87.097 1.356 30.929 1.00 0.00 C ATOM 129 CG GLN A 9 86.852 1.213 32.433 1.00 0.00 C ATOM 130 CD GLN A 9 88.195 1.296 33.160 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.234 1.264 32.532 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.228 1.404 34.462 1.00 0.00 N ATOM 0 H GLN A 9 87.042 1.172 28.453 1.00 0.00 H new ATOM 0 HA GLN A 9 85.236 0.373 30.508 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.780 0.578 30.589 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.575 2.313 30.720 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.184 2.000 32.783 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.365 0.262 32.647 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.358 1.431 34.994 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.124 1.461 34.946 1.00 0.00 H new ATOM 141 N GLU A 10 85.189 3.573 29.755 1.00 0.00 N ATOM 142 CA GLU A 10 84.362 4.794 29.965 1.00 0.00 C ATOM 143 C GLU A 10 82.909 4.484 29.592 1.00 0.00 C ATOM 144 O GLU A 10 81.985 4.895 30.265 1.00 0.00 O ATOM 145 CB GLU A 10 84.881 5.921 29.071 1.00 0.00 C ATOM 146 CG GLU A 10 84.168 7.227 29.426 1.00 0.00 C ATOM 147 CD GLU A 10 84.661 8.336 28.496 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.431 8.029 27.600 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.262 9.472 28.694 1.00 0.00 O ATOM 0 H GLU A 10 85.941 3.665 29.072 1.00 0.00 H new ATOM 0 HA GLU A 10 84.420 5.101 31.009 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.957 6.035 29.201 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.711 5.675 28.023 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.089 7.105 29.327 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.365 7.492 30.465 1.00 0.00 H new ATOM 156 N GLU A 11 82.703 3.755 28.525 1.00 0.00 N ATOM 157 CA GLU A 11 81.311 3.410 28.116 1.00 0.00 C ATOM 158 C GLU A 11 80.651 2.591 29.220 1.00 0.00 C ATOM 159 O GLU A 11 79.502 2.792 29.557 1.00 0.00 O ATOM 160 CB GLU A 11 81.349 2.594 26.816 1.00 0.00 C ATOM 161 CG GLU A 11 79.921 2.366 26.290 1.00 0.00 C ATOM 162 CD GLU A 11 79.226 1.276 27.109 1.00 0.00 C ATOM 163 OE1 GLU A 11 79.918 0.521 27.772 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.010 1.212 27.055 1.00 0.00 O ATOM 0 H GLU A 11 83.438 3.385 27.922 1.00 0.00 H new ATOM 0 HA GLU A 11 80.738 4.323 27.951 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.941 3.118 26.066 1.00 0.00 H new ATOM 0 HB3 GLU A 11 81.836 1.635 26.994 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.352 3.294 26.348 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.954 2.077 25.240 1.00 0.00 H new ATOM 171 N HIS A 12 81.368 1.662 29.791 1.00 0.00 N ATOM 172 CA HIS A 12 80.771 0.835 30.872 1.00 0.00 C ATOM 173 C HIS A 12 80.348 1.733 32.036 1.00 0.00 C ATOM 174 O HIS A 12 79.274 1.596 32.579 1.00 0.00 O ATOM 175 CB HIS A 12 81.782 -0.193 31.379 1.00 0.00 C ATOM 176 CG HIS A 12 81.070 -1.065 32.364 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.595 -2.344 32.042 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.617 -0.798 33.626 1.00 0.00 C ATOM 179 CE1 HIS A 12 79.873 -2.785 33.100 1.00 0.00 C ATOM 180 NE2 HIS A 12 79.872 -1.867 34.063 1.00 0.00 N ATOM 0 H HIS A 12 82.336 1.442 29.556 1.00 0.00 H new ATOM 0 HA HIS A 12 79.902 0.315 30.469 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.174 -0.786 30.553 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.632 0.302 31.848 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.812 0.104 34.187 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.372 -3.740 33.154 1.00 0.00 H new ATOM 0 HE2 HIS A 12 79.402 -1.943 34.965 1.00 0.00 H new ATOM 188 N GLU A 13 81.189 2.640 32.428 1.00 0.00 N ATOM 189 CA GLU A 13 80.839 3.541 33.558 1.00 0.00 C ATOM 190 C GLU A 13 79.579 4.348 33.225 1.00 0.00 C ATOM 191 O GLU A 13 78.699 4.518 34.043 1.00 0.00 O ATOM 192 CB GLU A 13 82.011 4.502 33.800 1.00 0.00 C ATOM 193 CG GLU A 13 81.741 5.326 35.062 1.00 0.00 C ATOM 194 CD GLU A 13 82.921 6.259 35.329 1.00 0.00 C ATOM 195 OE1 GLU A 13 83.831 6.279 34.521 1.00 0.00 O ATOM 196 OE2 GLU A 13 82.886 6.947 36.336 1.00 0.00 O ATOM 0 H GLU A 13 82.108 2.799 32.015 1.00 0.00 H new ATOM 0 HA GLU A 13 80.646 2.946 34.450 1.00 0.00 H new ATOM 0 HB2 GLU A 13 82.939 3.941 33.910 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.138 5.162 32.942 1.00 0.00 H new ATOM 0 HG2 GLU A 13 80.826 5.906 34.941 1.00 0.00 H new ATOM 0 HG3 GLU A 13 81.588 4.664 35.914 1.00 0.00 H new ATOM 203 N LYS A 14 79.502 4.868 32.033 1.00 0.00 N ATOM 204 CA LYS A 14 78.319 5.694 31.645 1.00 0.00 C ATOM 205 C LYS A 14 76.999 4.905 31.680 1.00 0.00 C ATOM 206 O LYS A 14 75.957 5.479 31.932 1.00 0.00 O ATOM 207 CB LYS A 14 78.527 6.251 30.235 1.00 0.00 C ATOM 208 CG LYS A 14 79.698 7.242 30.236 1.00 0.00 C ATOM 209 CD LYS A 14 79.979 7.720 28.800 1.00 0.00 C ATOM 210 CE LYS A 14 78.998 8.833 28.405 1.00 0.00 C ATOM 211 NZ LYS A 14 79.018 9.921 29.428 1.00 0.00 N ATOM 0 H LYS A 14 80.209 4.758 31.306 1.00 0.00 H new ATOM 0 HA LYS A 14 78.239 6.498 32.377 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.728 5.437 29.538 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.619 6.747 29.892 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.464 8.095 30.873 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.587 6.768 30.652 1.00 0.00 H new ATOM 0 HD2 LYS A 14 81.003 8.086 28.726 1.00 0.00 H new ATOM 0 HD3 LYS A 14 79.888 6.884 28.107 1.00 0.00 H new ATOM 0 HE2 LYS A 14 79.267 9.236 27.429 1.00 0.00 H new ATOM 0 HE3 LYS A 14 77.991 8.426 28.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.798 10.830 28.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 78.309 9.721 30.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.961 9.971 29.863 1.00 0.00 H new ATOM 225 N TYR A 15 77.003 3.625 31.381 1.00 0.00 N ATOM 226 CA TYR A 15 75.699 2.869 31.352 1.00 0.00 C ATOM 227 C TYR A 15 75.819 1.469 31.969 1.00 0.00 C ATOM 228 O TYR A 15 74.855 0.732 32.010 1.00 0.00 O ATOM 229 CB TYR A 15 75.273 2.722 29.888 1.00 0.00 C ATOM 230 CG TYR A 15 75.393 4.062 29.187 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.343 4.991 29.259 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.559 4.382 28.467 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.458 6.232 28.613 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.667 5.623 27.828 1.00 0.00 C ATOM 235 CZ TYR A 15 75.619 6.546 27.904 1.00 0.00 C ATOM 236 OH TYR A 15 75.734 7.771 27.280 1.00 0.00 O ATOM 0 H TYR A 15 77.834 3.076 31.159 1.00 0.00 H new ATOM 0 HA TYR A 15 74.969 3.426 31.939 1.00 0.00 H new ATOM 0 HB2 TYR A 15 75.899 1.982 29.389 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.246 2.361 29.832 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.447 4.751 29.811 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.370 3.671 28.407 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.648 6.944 28.664 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.562 5.868 27.275 1.00 0.00 H new ATOM 0 HH TYR A 15 75.217 8.440 27.775 1.00 0.00 H new ATOM 246 N HIS A 16 76.977 1.067 32.407 1.00 0.00 N ATOM 247 CA HIS A 16 77.109 -0.309 32.967 1.00 0.00 C ATOM 248 C HIS A 16 76.599 -1.281 31.908 1.00 0.00 C ATOM 249 O HIS A 16 75.914 -2.241 32.198 1.00 0.00 O ATOM 250 CB HIS A 16 76.285 -0.476 34.257 1.00 0.00 C ATOM 251 CG HIS A 16 76.919 0.268 35.406 1.00 0.00 C ATOM 252 ND1 HIS A 16 77.977 -0.235 36.155 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.616 1.475 36.007 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.272 0.616 37.141 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.470 1.685 37.100 1.00 0.00 N ATOM 0 H HIS A 16 77.832 1.624 32.403 1.00 0.00 H new ATOM 0 HA HIS A 16 78.152 -0.502 33.220 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.272 -0.107 34.096 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.203 -1.534 34.506 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.840 2.153 35.684 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.052 0.462 37.872 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.478 2.486 37.732 1.00 0.00 H new ATOM 263 N SER A 17 76.915 -1.012 30.673 1.00 0.00 N ATOM 264 CA SER A 17 76.439 -1.880 29.566 1.00 0.00 C ATOM 265 C SER A 17 76.951 -3.310 29.741 1.00 0.00 C ATOM 266 O SER A 17 77.950 -3.550 30.392 1.00 0.00 O ATOM 267 CB SER A 17 76.950 -1.321 28.244 1.00 0.00 C ATOM 268 OG SER A 17 78.371 -1.377 28.228 1.00 0.00 O ATOM 0 H SER A 17 77.488 -0.220 30.382 1.00 0.00 H new ATOM 0 HA SER A 17 75.349 -1.898 29.575 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.543 -1.895 27.412 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.614 -0.292 28.117 1.00 0.00 H new ATOM 0 HG SER A 17 78.736 -0.530 28.560 1.00 0.00 H new ATOM 274 N ASN A 18 76.266 -4.258 29.156 1.00 0.00 N ATOM 275 CA ASN A 18 76.693 -5.683 29.266 1.00 0.00 C ATOM 276 C ASN A 18 77.923 -5.913 28.383 1.00 0.00 C ATOM 277 O ASN A 18 78.157 -5.189 27.438 1.00 0.00 O ATOM 278 CB ASN A 18 75.544 -6.585 28.802 1.00 0.00 C ATOM 279 CG ASN A 18 74.312 -6.353 29.685 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.463 -5.965 30.926 1.00 0.00 O flip ATOM 281 ND2 ASN A 18 73.196 -6.523 29.240 1.00 0.00 N flip ATOM 0 H ASN A 18 75.423 -4.104 28.603 1.00 0.00 H new ATOM 0 HA ASN A 18 76.946 -5.918 30.300 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.301 -6.374 27.761 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.847 -7.631 28.853 1.00 0.00 H new ATOM 0 HD21 ASN A 18 73.073 -6.825 28.274 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.381 -6.364 29.832 1.00 0.00 H new ATOM 288 N TRP A 19 78.721 -6.904 28.685 1.00 0.00 N ATOM 289 CA TRP A 19 79.933 -7.151 27.856 1.00 0.00 C ATOM 290 C TRP A 19 79.523 -7.340 26.391 1.00 0.00 C ATOM 291 O TRP A 19 80.271 -7.025 25.485 1.00 0.00 O ATOM 292 CB TRP A 19 80.689 -8.385 28.372 1.00 0.00 C ATOM 293 CG TRP A 19 79.925 -9.636 28.061 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.125 -10.297 28.934 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.872 -10.383 26.809 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.593 -11.407 28.295 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.027 -11.505 26.986 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.482 -10.205 25.555 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.781 -12.405 25.949 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.235 -11.110 24.508 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.395 -12.213 24.710 1.00 0.00 C ATOM 0 H TRP A 19 78.586 -7.548 29.465 1.00 0.00 H new ATOM 0 HA TRP A 19 80.599 -6.291 27.927 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.677 -8.432 27.914 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.841 -8.302 29.448 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.934 -10.007 29.957 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.958 -12.071 28.738 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.145 -9.367 25.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.120 -13.245 26.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.695 -10.954 23.543 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.223 -12.915 23.907 1.00 0.00 H new ATOM 312 N ARG A 20 78.344 -7.848 26.141 1.00 0.00 N ATOM 313 CA ARG A 20 77.916 -8.042 24.722 1.00 0.00 C ATOM 314 C ARG A 20 77.835 -6.689 24.014 1.00 0.00 C ATOM 315 O ARG A 20 78.214 -6.557 22.868 1.00 0.00 O ATOM 316 CB ARG A 20 76.530 -8.691 24.666 1.00 0.00 C ATOM 317 CG ARG A 20 76.572 -10.109 25.237 1.00 0.00 C ATOM 318 CD ARG A 20 75.173 -10.718 25.147 1.00 0.00 C ATOM 319 NE ARG A 20 74.797 -10.884 23.717 1.00 0.00 N ATOM 320 CZ ARG A 20 73.823 -11.686 23.387 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.186 -12.349 24.313 1.00 0.00 N ATOM 322 NH2 ARG A 20 73.499 -11.828 22.131 1.00 0.00 N ATOM 0 H ARG A 20 77.666 -8.134 26.847 1.00 0.00 H new ATOM 0 HA ARG A 20 78.647 -8.685 24.232 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.818 -8.088 25.229 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.178 -8.719 23.635 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.285 -10.718 24.682 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.909 -10.089 26.273 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.151 -11.682 25.654 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.452 -10.076 25.652 1.00 0.00 H new ATOM 0 HE ARG A 20 75.301 -10.370 22.994 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.450 -12.239 25.292 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.424 -12.977 24.058 1.00 0.00 H new ATOM 0 HH21 ARG A 20 74.007 -11.313 21.412 1.00 0.00 H new ATOM 0 HH22 ARG A 20 72.738 -12.454 21.868 1.00 0.00 H new ATOM 336 N ALA A 21 77.342 -5.686 24.680 1.00 0.00 N ATOM 337 CA ALA A 21 77.238 -4.350 24.031 1.00 0.00 C ATOM 338 C ALA A 21 78.643 -3.785 23.830 1.00 0.00 C ATOM 339 O ALA A 21 78.987 -3.320 22.762 1.00 0.00 O ATOM 340 CB ALA A 21 76.424 -3.409 24.926 1.00 0.00 C ATOM 0 H ALA A 21 77.007 -5.731 25.642 1.00 0.00 H new ATOM 0 HA ALA A 21 76.740 -4.444 23.066 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.348 -2.431 24.451 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.425 -3.820 25.073 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.919 -3.306 25.891 1.00 0.00 H new ATOM 346 N MET A 22 79.453 -3.817 24.854 1.00 0.00 N ATOM 347 CA MET A 22 80.834 -3.277 24.712 1.00 0.00 C ATOM 348 C MET A 22 81.564 -4.049 23.627 1.00 0.00 C ATOM 349 O MET A 22 82.273 -3.485 22.821 1.00 0.00 O ATOM 350 CB MET A 22 81.600 -3.424 26.028 1.00 0.00 C ATOM 351 CG MET A 22 81.037 -2.461 27.077 1.00 0.00 C ATOM 352 SD MET A 22 82.142 -2.440 28.506 1.00 0.00 S ATOM 353 CE MET A 22 81.763 -4.102 29.105 1.00 0.00 C ATOM 0 H MET A 22 79.220 -4.190 25.774 1.00 0.00 H new ATOM 0 HA MET A 22 80.775 -2.221 24.449 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.525 -4.450 26.388 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.658 -3.219 25.866 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.944 -1.459 26.658 1.00 0.00 H new ATOM 0 HG3 MET A 22 80.037 -2.774 27.378 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.048 -4.184 30.154 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.694 -4.290 29.003 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.318 -4.835 28.520 1.00 0.00 H new ATOM 363 N ALA A 23 81.401 -5.335 23.588 1.00 0.00 N ATOM 364 CA ALA A 23 82.100 -6.115 22.534 1.00 0.00 C ATOM 365 C ALA A 23 81.687 -5.598 21.156 1.00 0.00 C ATOM 366 O ALA A 23 82.508 -5.394 20.285 1.00 0.00 O ATOM 367 CB ALA A 23 81.715 -7.588 22.644 1.00 0.00 C ATOM 0 H ALA A 23 80.822 -5.877 24.230 1.00 0.00 H new ATOM 0 HA ALA A 23 83.177 -6.005 22.664 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.229 -8.157 21.870 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.003 -7.967 23.625 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.638 -7.693 22.516 1.00 0.00 H new ATOM 373 N SER A 24 80.419 -5.396 20.951 1.00 0.00 N ATOM 374 CA SER A 24 79.945 -4.908 19.628 1.00 0.00 C ATOM 375 C SER A 24 80.348 -3.452 19.399 1.00 0.00 C ATOM 376 O SER A 24 80.660 -3.051 18.293 1.00 0.00 O ATOM 377 CB SER A 24 78.430 -5.027 19.561 1.00 0.00 C ATOM 378 OG SER A 24 77.999 -4.761 18.233 1.00 0.00 O ATOM 0 H SER A 24 79.687 -5.548 21.645 1.00 0.00 H new ATOM 0 HA SER A 24 80.407 -5.518 18.852 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.118 -6.026 19.864 1.00 0.00 H new ATOM 0 HB3 SER A 24 77.967 -4.325 20.254 1.00 0.00 H new ATOM 0 HG SER A 24 77.023 -4.838 18.184 1.00 0.00 H new ATOM 384 N ASP A 25 80.303 -2.643 20.420 1.00 0.00 N ATOM 385 CA ASP A 25 80.652 -1.209 20.243 1.00 0.00 C ATOM 386 C ASP A 25 82.085 -1.082 19.732 1.00 0.00 C ATOM 387 O ASP A 25 82.372 -0.299 18.852 1.00 0.00 O ATOM 388 CB ASP A 25 80.536 -0.488 21.588 1.00 0.00 C ATOM 389 CG ASP A 25 79.066 -0.417 22.010 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.216 -0.656 21.168 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.814 -0.124 23.166 1.00 0.00 O ATOM 0 H ASP A 25 80.040 -2.914 21.368 1.00 0.00 H new ATOM 0 HA ASP A 25 79.968 -0.762 19.521 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.117 -1.015 22.345 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.951 0.517 21.510 1.00 0.00 H new ATOM 396 N PHE A 26 82.987 -1.852 20.286 1.00 0.00 N ATOM 397 CA PHE A 26 84.422 -1.788 19.856 1.00 0.00 C ATOM 398 C PHE A 26 84.789 -3.027 19.042 1.00 0.00 C ATOM 399 O PHE A 26 85.911 -3.180 18.605 1.00 0.00 O ATOM 400 CB PHE A 26 85.296 -1.717 21.101 1.00 0.00 C ATOM 401 CG PHE A 26 84.966 -0.457 21.851 1.00 0.00 C ATOM 402 CD1 PHE A 26 83.915 -0.459 22.770 1.00 0.00 C ATOM 403 CD2 PHE A 26 85.714 0.706 21.639 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.607 0.702 23.480 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.406 1.873 22.348 1.00 0.00 C ATOM 406 CZ PHE A 26 84.352 1.871 23.272 1.00 0.00 C ATOM 0 H PHE A 26 82.792 -2.528 21.024 1.00 0.00 H new ATOM 0 HA PHE A 26 84.578 -0.907 19.233 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.125 -2.589 21.733 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.350 -1.726 20.824 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.340 -1.359 22.931 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.528 0.703 20.929 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.794 0.700 24.191 1.00 0.00 H new ATOM 0 HE2 PHE A 26 85.979 2.773 22.183 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.114 2.769 23.823 1.00 0.00 H new ATOM 416 N ASN A 27 83.857 -3.905 18.823 1.00 0.00 N ATOM 417 CA ASN A 27 84.163 -5.122 18.019 1.00 0.00 C ATOM 418 C ASN A 27 85.350 -5.873 18.630 1.00 0.00 C ATOM 419 O ASN A 27 86.308 -6.188 17.955 1.00 0.00 O ATOM 420 CB ASN A 27 84.493 -4.716 16.580 1.00 0.00 C ATOM 421 CG ASN A 27 84.490 -5.962 15.693 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.683 -6.851 15.880 1.00 0.00 O ATOM 423 ND2 ASN A 27 85.364 -6.069 14.729 1.00 0.00 N ATOM 0 H ASN A 27 82.898 -3.836 19.163 1.00 0.00 H new ATOM 0 HA ASN A 27 83.292 -5.778 18.021 1.00 0.00 H new ATOM 0 HB2 ASN A 27 83.762 -3.994 16.216 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.468 -4.230 16.541 1.00 0.00 H new ATOM 0 HD21 ASN A 27 85.369 -6.898 14.134 1.00 0.00 H new ATOM 0 HD22 ASN A 27 86.042 -5.324 14.570 1.00 0.00 H new ATOM 430 N LEU A 28 85.283 -6.163 19.905 1.00 0.00 N ATOM 431 CA LEU A 28 86.390 -6.904 20.591 1.00 0.00 C ATOM 432 C LEU A 28 85.824 -8.225 21.130 1.00 0.00 C ATOM 433 O LEU A 28 84.654 -8.307 21.450 1.00 0.00 O ATOM 434 CB LEU A 28 86.895 -6.057 21.758 1.00 0.00 C ATOM 435 CG LEU A 28 87.549 -4.775 21.224 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.834 -3.833 22.398 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.865 -5.106 20.485 1.00 0.00 C ATOM 0 H LEU A 28 84.499 -5.915 20.509 1.00 0.00 H new ATOM 0 HA LEU A 28 87.208 -7.102 19.899 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.068 -5.805 22.422 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.615 -6.625 22.347 1.00 0.00 H new ATOM 0 HG LEU A 28 86.871 -4.294 20.519 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.299 -2.920 22.027 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.899 -3.586 22.901 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.507 -4.322 23.102 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.315 -4.185 20.113 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.555 -5.595 21.172 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.655 -5.771 19.647 1.00 0.00 H new ATOM 449 N PRO A 29 86.630 -9.259 21.230 1.00 0.00 N ATOM 450 CA PRO A 29 86.159 -10.581 21.739 1.00 0.00 C ATOM 451 C PRO A 29 85.612 -10.486 23.177 1.00 0.00 C ATOM 452 O PRO A 29 86.059 -9.666 23.952 1.00 0.00 O ATOM 453 CB PRO A 29 87.419 -11.469 21.687 1.00 0.00 C ATOM 454 CG PRO A 29 88.571 -10.516 21.636 1.00 0.00 C ATOM 455 CD PRO A 29 88.064 -9.294 20.881 1.00 0.00 C ATOM 0 HA PRO A 29 85.334 -10.975 21.146 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.481 -12.115 22.563 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.407 -12.119 20.812 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.901 -10.247 22.639 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.426 -10.963 21.128 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.578 -8.385 21.193 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.215 -9.392 19.806 1.00 0.00 H new ATOM 463 N PRO A 30 84.652 -11.315 23.536 1.00 0.00 N ATOM 464 CA PRO A 30 84.068 -11.291 24.902 1.00 0.00 C ATOM 465 C PRO A 30 85.141 -11.150 25.982 1.00 0.00 C ATOM 466 O PRO A 30 84.942 -10.526 26.997 1.00 0.00 O ATOM 467 CB PRO A 30 83.363 -12.652 25.039 1.00 0.00 C ATOM 468 CG PRO A 30 83.125 -13.154 23.638 1.00 0.00 C ATOM 469 CD PRO A 30 84.032 -12.351 22.685 1.00 0.00 C ATOM 0 HA PRO A 30 83.398 -10.441 25.032 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.979 -13.353 25.603 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.422 -12.549 25.579 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.349 -14.219 23.571 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.078 -13.031 23.362 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.787 -12.989 22.226 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.457 -11.904 21.874 1.00 0.00 H new ATOM 477 N VAL A 31 86.268 -11.748 25.771 1.00 0.00 N ATOM 478 CA VAL A 31 87.342 -11.688 26.800 1.00 0.00 C ATOM 479 C VAL A 31 87.621 -10.239 27.184 1.00 0.00 C ATOM 480 O VAL A 31 87.679 -9.897 28.350 1.00 0.00 O ATOM 481 CB VAL A 31 88.615 -12.309 26.210 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.785 -12.217 27.196 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.360 -13.778 25.876 1.00 0.00 C ATOM 0 H VAL A 31 86.499 -12.278 24.931 1.00 0.00 H new ATOM 0 HA VAL A 31 87.028 -12.234 27.690 1.00 0.00 H new ATOM 0 HB VAL A 31 88.875 -11.755 25.308 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.673 -12.665 26.750 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.984 -11.171 27.428 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.531 -12.750 28.112 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.265 -14.218 25.457 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.082 -14.314 26.783 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.551 -13.851 25.149 1.00 0.00 H new ATOM 493 N VAL A 32 87.827 -9.385 26.229 1.00 0.00 N ATOM 494 CA VAL A 32 88.125 -7.978 26.588 1.00 0.00 C ATOM 495 C VAL A 32 86.892 -7.343 27.227 1.00 0.00 C ATOM 496 O VAL A 32 86.965 -6.739 28.277 1.00 0.00 O ATOM 497 CB VAL A 32 88.540 -7.186 25.347 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.916 -5.757 25.755 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.748 -7.862 24.694 1.00 0.00 C ATOM 0 H VAL A 32 87.803 -9.594 25.231 1.00 0.00 H new ATOM 0 HA VAL A 32 88.951 -7.961 27.299 1.00 0.00 H new ATOM 0 HB VAL A 32 87.711 -7.156 24.640 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.212 -5.192 24.871 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.058 -5.275 26.223 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.746 -5.787 26.461 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.046 -7.299 23.809 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.576 -7.890 25.402 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.484 -8.879 24.405 1.00 0.00 H new ATOM 509 N ALA A 33 85.759 -7.476 26.598 1.00 0.00 N ATOM 510 CA ALA A 33 84.526 -6.877 27.171 1.00 0.00 C ATOM 511 C ALA A 33 84.174 -7.575 28.489 1.00 0.00 C ATOM 512 O ALA A 33 83.794 -6.942 29.455 1.00 0.00 O ATOM 513 CB ALA A 33 83.374 -7.039 26.176 1.00 0.00 C ATOM 0 H ALA A 33 85.635 -7.972 25.715 1.00 0.00 H new ATOM 0 HA ALA A 33 84.693 -5.817 27.364 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.468 -6.600 26.594 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.625 -6.534 25.243 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.208 -8.098 25.981 1.00 0.00 H new ATOM 519 N LYS A 34 84.294 -8.878 28.541 1.00 0.00 N ATOM 520 CA LYS A 34 83.964 -9.610 29.797 1.00 0.00 C ATOM 521 C LYS A 34 84.884 -9.157 30.930 1.00 0.00 C ATOM 522 O LYS A 34 84.470 -9.052 32.068 1.00 0.00 O ATOM 523 CB LYS A 34 84.131 -11.122 29.591 1.00 0.00 C ATOM 524 CG LYS A 34 83.116 -11.655 28.543 1.00 0.00 C ATOM 525 CD LYS A 34 81.853 -12.214 29.236 1.00 0.00 C ATOM 526 CE LYS A 34 82.044 -13.695 29.589 1.00 0.00 C ATOM 527 NZ LYS A 34 83.126 -13.834 30.600 1.00 0.00 N ATOM 0 H LYS A 34 84.606 -9.464 27.767 1.00 0.00 H new ATOM 0 HA LYS A 34 82.929 -9.391 30.058 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.147 -11.338 29.261 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.987 -11.640 30.539 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.836 -10.853 27.860 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.583 -12.436 27.943 1.00 0.00 H new ATOM 0 HD2 LYS A 34 81.644 -11.643 30.140 1.00 0.00 H new ATOM 0 HD3 LYS A 34 80.990 -12.099 28.580 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.114 -14.109 29.978 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.295 -14.263 28.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 83.076 -14.777 31.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 84.050 -13.715 30.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.010 -13.107 31.335 1.00 0.00 H new ATOM 541 N GLU A 35 86.134 -8.910 30.646 1.00 0.00 N ATOM 542 CA GLU A 35 87.057 -8.489 31.737 1.00 0.00 C ATOM 543 C GLU A 35 86.560 -7.181 32.342 1.00 0.00 C ATOM 544 O GLU A 35 86.649 -6.967 33.533 1.00 0.00 O ATOM 545 CB GLU A 35 88.473 -8.305 31.189 1.00 0.00 C ATOM 546 CG GLU A 35 89.469 -8.177 32.352 1.00 0.00 C ATOM 547 CD GLU A 35 89.325 -6.804 33.018 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.888 -5.882 32.346 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.653 -6.700 34.189 1.00 0.00 O ATOM 0 H GLU A 35 86.552 -8.980 29.718 1.00 0.00 H new ATOM 0 HA GLU A 35 87.079 -9.261 32.506 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.742 -9.153 30.559 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.517 -7.415 30.561 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.290 -8.965 33.083 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.487 -8.307 31.985 1.00 0.00 H new ATOM 556 N ILE A 36 86.055 -6.290 31.533 1.00 0.00 N ATOM 557 CA ILE A 36 85.561 -4.999 32.078 1.00 0.00 C ATOM 558 C ILE A 36 84.447 -5.260 33.087 1.00 0.00 C ATOM 559 O ILE A 36 84.367 -4.622 34.119 1.00 0.00 O ATOM 560 CB ILE A 36 85.058 -4.114 30.941 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.247 -3.768 30.044 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.446 -2.827 31.514 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.772 -2.959 28.836 1.00 0.00 C ATOM 0 H ILE A 36 85.964 -6.401 30.523 1.00 0.00 H new ATOM 0 HA ILE A 36 86.377 -4.483 32.583 1.00 0.00 H new ATOM 0 HB ILE A 36 84.293 -4.637 30.367 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.984 -3.197 30.608 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.739 -4.681 29.710 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.089 -2.199 30.698 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.612 -3.081 32.168 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.202 -2.286 32.083 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.625 -2.717 28.202 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.051 -3.545 28.266 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.301 -2.038 29.178 1.00 0.00 H new ATOM 575 N VAL A 37 83.587 -6.197 32.807 1.00 0.00 N ATOM 576 CA VAL A 37 82.493 -6.490 33.770 1.00 0.00 C ATOM 577 C VAL A 37 83.120 -6.991 35.066 1.00 0.00 C ATOM 578 O VAL A 37 82.702 -6.643 36.150 1.00 0.00 O ATOM 579 CB VAL A 37 81.575 -7.569 33.185 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.566 -8.024 34.247 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.832 -6.989 31.978 1.00 0.00 C ATOM 0 H VAL A 37 83.594 -6.767 31.961 1.00 0.00 H new ATOM 0 HA VAL A 37 81.904 -5.593 33.962 1.00 0.00 H new ATOM 0 HB VAL A 37 82.169 -8.428 32.873 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.916 -8.791 33.826 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.100 -8.432 35.105 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.964 -7.173 34.565 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.176 -7.750 31.555 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.237 -6.132 32.294 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.553 -6.672 31.225 1.00 0.00 H new ATOM 591 N ALA A 38 84.136 -7.795 34.948 1.00 0.00 N ATOM 592 CA ALA A 38 84.825 -8.328 36.150 1.00 0.00 C ATOM 593 C ALA A 38 85.412 -7.181 36.978 1.00 0.00 C ATOM 594 O ALA A 38 85.546 -7.274 38.183 1.00 0.00 O ATOM 595 CB ALA A 38 85.957 -9.251 35.705 1.00 0.00 C ATOM 0 H ALA A 38 84.523 -8.109 34.058 1.00 0.00 H new ATOM 0 HA ALA A 38 84.106 -8.876 36.760 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.469 -9.647 36.582 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.547 -10.075 35.121 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.665 -8.691 35.094 1.00 0.00 H new ATOM 601 N SER A 39 85.795 -6.110 36.345 1.00 0.00 N ATOM 602 CA SER A 39 86.398 -4.979 37.100 1.00 0.00 C ATOM 603 C SER A 39 85.298 -4.133 37.739 1.00 0.00 C ATOM 604 O SER A 39 85.532 -3.402 38.681 1.00 0.00 O ATOM 605 CB SER A 39 87.201 -4.108 36.140 1.00 0.00 C ATOM 606 OG SER A 39 88.040 -4.937 35.349 1.00 0.00 O ATOM 0 H SER A 39 85.717 -5.969 35.338 1.00 0.00 H new ATOM 0 HA SER A 39 87.048 -5.375 37.880 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.529 -3.535 35.501 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.801 -3.389 36.698 1.00 0.00 H new ATOM 0 HG SER A 39 87.495 -5.429 34.700 1.00 0.00 H new ATOM 612 N CYS A 40 84.101 -4.229 37.237 1.00 0.00 N ATOM 613 CA CYS A 40 82.983 -3.432 37.819 1.00 0.00 C ATOM 614 C CYS A 40 82.390 -4.190 39.007 1.00 0.00 C ATOM 615 O CYS A 40 81.717 -5.188 38.855 1.00 0.00 O ATOM 616 CB CYS A 40 81.910 -3.199 36.754 1.00 0.00 C ATOM 617 SG CYS A 40 80.510 -2.314 37.487 1.00 0.00 S ATOM 0 H CYS A 40 83.846 -4.824 36.449 1.00 0.00 H new ATOM 0 HA CYS A 40 83.357 -2.466 38.159 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.324 -2.624 35.926 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.577 -4.152 36.344 1.00 0.00 H new ATOM 0 HG CYS A 40 79.401 -2.745 36.962 1.00 0.00 H new ATOM 622 N ASP A 41 82.651 -3.724 40.193 1.00 0.00 N ATOM 623 CA ASP A 41 82.120 -4.407 41.401 1.00 0.00 C ATOM 624 C ASP A 41 80.590 -4.436 41.364 1.00 0.00 C ATOM 625 O ASP A 41 79.968 -5.349 41.865 1.00 0.00 O ATOM 626 CB ASP A 41 82.601 -3.652 42.643 1.00 0.00 C ATOM 627 CG ASP A 41 84.125 -3.756 42.730 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.688 -4.545 41.987 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.704 -3.041 43.533 1.00 0.00 O ATOM 0 H ASP A 41 83.213 -2.893 40.379 1.00 0.00 H new ATOM 0 HA ASP A 41 82.481 -5.435 41.430 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.297 -2.607 42.589 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.143 -4.071 43.539 1.00 0.00 H new ATOM 634 N LYS A 42 79.974 -3.434 40.798 1.00 0.00 N ATOM 635 CA LYS A 42 78.483 -3.414 40.765 1.00 0.00 C ATOM 636 C LYS A 42 77.944 -4.470 39.801 1.00 0.00 C ATOM 637 O LYS A 42 76.993 -5.162 40.102 1.00 0.00 O ATOM 638 CB LYS A 42 77.999 -2.031 40.320 1.00 0.00 C ATOM 639 CG LYS A 42 78.507 -0.976 41.300 1.00 0.00 C ATOM 640 CD LYS A 42 77.859 0.371 40.975 1.00 0.00 C ATOM 641 CE LYS A 42 78.434 1.459 41.885 1.00 0.00 C ATOM 642 NZ LYS A 42 77.821 1.351 43.238 1.00 0.00 N ATOM 0 H LYS A 42 80.433 -2.635 40.361 1.00 0.00 H new ATOM 0 HA LYS A 42 78.114 -3.635 41.767 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.360 -1.813 39.315 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.910 -2.011 40.279 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.270 -1.269 42.323 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.592 -0.895 41.235 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.036 0.627 39.930 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.779 0.306 41.108 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.517 1.354 41.955 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.236 2.444 41.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.186 2.111 43.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.788 1.437 43.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 78.060 0.429 43.655 1.00 0.00 H new ATOM 656 N CYS A 43 78.528 -4.616 38.643 1.00 0.00 N ATOM 657 CA CYS A 43 78.016 -5.645 37.689 1.00 0.00 C ATOM 658 C CYS A 43 78.662 -6.994 37.990 1.00 0.00 C ATOM 659 O CYS A 43 78.134 -8.033 37.656 1.00 0.00 O ATOM 660 CB CYS A 43 78.345 -5.237 36.253 1.00 0.00 C ATOM 661 SG CYS A 43 77.447 -3.721 35.833 1.00 0.00 S ATOM 0 H CYS A 43 79.329 -4.075 38.317 1.00 0.00 H new ATOM 0 HA CYS A 43 76.935 -5.724 37.803 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.418 -5.078 36.146 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.071 -6.037 35.565 1.00 0.00 H new ATOM 0 HG CYS A 43 77.558 -3.490 34.559 1.00 0.00 H new ATOM 666 N GLN A 44 79.806 -6.989 38.607 1.00 0.00 N ATOM 667 CA GLN A 44 80.482 -8.281 38.914 1.00 0.00 C ATOM 668 C GLN A 44 79.821 -8.916 40.141 1.00 0.00 C ATOM 669 O GLN A 44 79.109 -9.894 40.034 1.00 0.00 O ATOM 670 CB GLN A 44 81.967 -8.016 39.186 1.00 0.00 C ATOM 671 CG GLN A 44 82.723 -9.347 39.256 1.00 0.00 C ATOM 672 CD GLN A 44 84.201 -9.091 39.593 1.00 0.00 C ATOM 673 OE1 GLN A 44 85.139 -9.552 38.802 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.506 -8.472 40.593 1.00 0.00 N ATOM 0 H GLN A 44 80.303 -6.152 38.912 1.00 0.00 H new ATOM 0 HA GLN A 44 80.391 -8.964 38.070 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.385 -7.390 38.398 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.084 -7.470 40.122 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.275 -9.991 40.013 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.643 -9.871 38.304 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.779 -8.112 41.211 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.489 -8.313 40.814 1.00 0.00 H new ATOM 844 N PHE B 1 93.845 -13.924 21.481 1.00 0.00 N ATOM 845 CA PHE B 1 92.898 -13.802 22.620 1.00 0.00 C ATOM 846 C PHE B 1 92.436 -15.195 23.068 1.00 0.00 C ATOM 847 O PHE B 1 92.822 -15.683 24.111 1.00 0.00 O ATOM 848 CB PHE B 1 91.674 -12.986 22.179 1.00 0.00 C ATOM 849 CG PHE B 1 92.044 -11.528 21.994 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.503 -11.065 20.751 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.903 -10.634 23.065 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.820 -9.709 20.582 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.226 -9.281 22.894 1.00 0.00 C ATOM 854 CZ PHE B 1 92.683 -8.818 21.654 1.00 0.00 C ATOM 0 H1 PHE B 1 93.755 -13.092 20.864 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.818 -13.982 21.843 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.626 -14.783 20.938 1.00 0.00 H new ATOM 0 HA PHE B 1 93.400 -13.303 23.449 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.279 -13.388 21.246 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.883 -13.075 22.924 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.612 -11.752 19.925 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.546 -10.988 24.021 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.170 -9.352 19.625 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.122 -8.594 23.721 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.930 -7.775 21.524 1.00 0.00 H new ATOM 866 N LEU B 2 91.588 -15.819 22.300 1.00 0.00 N ATOM 867 CA LEU B 2 91.070 -17.162 22.687 1.00 0.00 C ATOM 868 C LEU B 2 92.154 -18.237 22.576 1.00 0.00 C ATOM 869 O LEU B 2 92.206 -19.159 23.366 1.00 0.00 O ATOM 870 CB LEU B 2 89.920 -17.531 21.754 1.00 0.00 C ATOM 871 CG LEU B 2 88.910 -16.376 21.681 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.718 -16.795 20.817 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.410 -16.020 23.088 1.00 0.00 C ATOM 0 H LEU B 2 91.229 -15.456 21.417 1.00 0.00 H new ATOM 0 HA LEU B 2 90.738 -17.115 23.724 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.305 -17.751 20.758 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.426 -18.434 22.112 1.00 0.00 H new ATOM 0 HG LEU B 2 89.400 -15.506 21.243 1.00 0.00 H new ATOM 0 HD11 LEU B 2 87.001 -15.976 20.765 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.064 -17.039 19.813 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.239 -17.669 21.258 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.695 -15.200 23.023 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.926 -16.889 23.533 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.254 -15.717 23.708 1.00 0.00 H new ATOM 885 N ASP B 3 92.994 -18.158 21.589 1.00 0.00 N ATOM 886 CA ASP B 3 94.041 -19.203 21.429 1.00 0.00 C ATOM 887 C ASP B 3 95.000 -19.183 22.621 1.00 0.00 C ATOM 888 O ASP B 3 95.324 -20.212 23.185 1.00 0.00 O ATOM 889 CB ASP B 3 94.819 -18.942 20.139 1.00 0.00 C ATOM 890 CG ASP B 3 93.912 -19.200 18.934 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.858 -19.774 19.127 1.00 0.00 O ATOM 892 OD2 ASP B 3 94.285 -18.816 17.842 1.00 0.00 O ATOM 0 H ASP B 3 93.003 -17.418 20.887 1.00 0.00 H new ATOM 0 HA ASP B 3 93.564 -20.182 21.382 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.181 -17.914 20.122 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.695 -19.589 20.093 1.00 0.00 H new ATOM 897 N GLY B 4 95.454 -18.030 23.017 1.00 0.00 N ATOM 898 CA GLY B 4 96.397 -17.970 24.172 1.00 0.00 C ATOM 899 C GLY B 4 95.666 -18.379 25.447 1.00 0.00 C ATOM 900 O GLY B 4 96.142 -19.186 26.219 1.00 0.00 O ATOM 0 H GLY B 4 95.217 -17.131 22.597 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.245 -18.632 23.998 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.797 -16.961 24.277 1.00 0.00 H new ATOM 904 N ILE B 5 94.506 -17.833 25.663 1.00 0.00 N ATOM 905 CA ILE B 5 93.728 -18.182 26.880 1.00 0.00 C ATOM 906 C ILE B 5 93.442 -19.682 26.915 1.00 0.00 C ATOM 907 O ILE B 5 93.481 -20.294 27.962 1.00 0.00 O ATOM 908 CB ILE B 5 92.415 -17.409 26.882 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.725 -15.931 27.120 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.495 -17.925 27.996 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.465 -15.078 26.935 1.00 0.00 C ATOM 0 H ILE B 5 94.060 -17.155 25.045 1.00 0.00 H new ATOM 0 HA ILE B 5 94.311 -17.916 27.762 1.00 0.00 H new ATOM 0 HB ILE B 5 91.910 -17.543 25.925 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.118 -15.794 28.127 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.499 -15.600 26.428 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.561 -17.364 27.986 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.285 -18.982 27.834 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.985 -17.796 28.961 1.00 0.00 H new ATOM 0 HD11 ILE B 5 91.707 -14.029 27.109 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.089 -15.200 25.919 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.702 -15.397 27.645 1.00 0.00 H new ATOM 923 N ASP B 6 93.139 -20.289 25.800 1.00 0.00 N ATOM 924 CA ASP B 6 92.842 -21.746 25.845 1.00 0.00 C ATOM 925 C ASP B 6 94.009 -22.470 26.516 1.00 0.00 C ATOM 926 O ASP B 6 93.818 -23.280 27.401 1.00 0.00 O ATOM 927 CB ASP B 6 92.642 -22.288 24.424 1.00 0.00 C ATOM 928 CG ASP B 6 91.335 -21.738 23.843 1.00 0.00 C ATOM 929 OD1 ASP B 6 90.628 -21.058 24.566 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.071 -22.001 22.682 1.00 0.00 O ATOM 0 H ASP B 6 93.085 -19.851 24.881 1.00 0.00 H new ATOM 0 HA ASP B 6 91.927 -21.913 26.414 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.482 -22.000 23.792 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.615 -23.378 24.440 1.00 0.00 H new ATOM 935 N LYS B 7 95.220 -22.181 26.121 1.00 0.00 N ATOM 936 CA LYS B 7 96.380 -22.859 26.767 1.00 0.00 C ATOM 937 C LYS B 7 96.535 -22.373 28.209 1.00 0.00 C ATOM 938 O LYS B 7 96.787 -23.147 29.112 1.00 0.00 O ATOM 939 CB LYS B 7 97.659 -22.543 25.986 1.00 0.00 C ATOM 940 CG LYS B 7 97.570 -23.139 24.582 1.00 0.00 C ATOM 941 CD LYS B 7 98.898 -22.919 23.848 1.00 0.00 C ATOM 942 CE LYS B 7 98.794 -23.446 22.417 1.00 0.00 C ATOM 943 NZ LYS B 7 97.888 -22.559 21.638 1.00 0.00 N ATOM 0 H LYS B 7 95.455 -21.512 25.387 1.00 0.00 H new ATOM 0 HA LYS B 7 96.206 -23.935 26.768 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.801 -21.464 25.924 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.525 -22.949 26.509 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.347 -24.204 24.641 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.755 -22.673 24.029 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.146 -21.858 23.837 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.704 -23.429 24.375 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.780 -23.476 21.954 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.411 -24.467 22.419 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.042 -22.713 20.621 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 96.899 -22.778 21.875 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.089 -21.566 21.872 1.00 0.00 H new ATOM 957 N ALA B 8 96.377 -21.099 28.439 1.00 0.00 N ATOM 958 CA ALA B 8 96.506 -20.578 29.826 1.00 0.00 C ATOM 959 C ALA B 8 95.341 -21.079 30.670 1.00 0.00 C ATOM 960 O ALA B 8 95.495 -21.360 31.844 1.00 0.00 O ATOM 961 CB ALA B 8 96.519 -19.046 29.822 1.00 0.00 C ATOM 0 H ALA B 8 96.165 -20.399 27.728 1.00 0.00 H new ATOM 0 HA ALA B 8 97.444 -20.935 30.250 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.614 -18.680 30.844 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.362 -18.691 29.230 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.590 -18.675 29.389 1.00 0.00 H new ATOM 967 N GLN B 9 94.178 -21.199 30.096 1.00 0.00 N ATOM 968 CA GLN B 9 93.022 -21.676 30.896 1.00 0.00 C ATOM 969 C GLN B 9 93.349 -23.047 31.485 1.00 0.00 C ATOM 970 O GLN B 9 93.062 -23.322 32.634 1.00 0.00 O ATOM 971 CB GLN B 9 91.790 -21.763 29.998 1.00 0.00 C ATOM 972 CG GLN B 9 90.547 -21.966 30.863 1.00 0.00 C ATOM 973 CD GLN B 9 89.308 -22.015 29.971 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.365 -21.645 28.814 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.181 -22.458 30.457 1.00 0.00 N ATOM 0 H GLN B 9 93.980 -20.989 29.118 1.00 0.00 H new ATOM 0 HA GLN B 9 92.818 -20.981 31.710 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.691 -20.852 29.408 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.896 -22.589 29.295 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.635 -22.891 31.433 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.457 -21.154 31.585 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.131 -22.769 31.427 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.350 -22.494 29.867 1.00 0.00 H new ATOM 984 N GLU B 10 93.979 -23.894 30.722 1.00 0.00 N ATOM 985 CA GLU B 10 94.350 -25.234 31.259 1.00 0.00 C ATOM 986 C GLU B 10 95.275 -25.053 32.467 1.00 0.00 C ATOM 987 O GLU B 10 95.140 -25.728 33.465 1.00 0.00 O ATOM 988 CB GLU B 10 95.094 -26.023 30.180 1.00 0.00 C ATOM 989 CG GLU B 10 95.283 -27.464 30.648 1.00 0.00 C ATOM 990 CD GLU B 10 96.036 -28.255 29.581 1.00 0.00 C ATOM 991 OE1 GLU B 10 96.326 -27.686 28.546 1.00 0.00 O ATOM 992 OE2 GLU B 10 96.314 -29.421 29.823 1.00 0.00 O ATOM 0 H GLU B 10 94.252 -23.719 29.755 1.00 0.00 H new ATOM 0 HA GLU B 10 93.449 -25.771 31.556 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.532 -26.003 29.246 1.00 0.00 H new ATOM 0 HB3 GLU B 10 96.062 -25.564 29.980 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.836 -27.482 31.587 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.314 -27.925 30.840 1.00 0.00 H new ATOM 999 N GLU B 11 96.218 -24.144 32.394 1.00 0.00 N ATOM 1000 CA GLU B 11 97.134 -23.939 33.559 1.00 0.00 C ATOM 1001 C GLU B 11 96.314 -23.525 34.775 1.00 0.00 C ATOM 1002 O GLU B 11 96.556 -23.968 35.879 1.00 0.00 O ATOM 1003 CB GLU B 11 98.157 -22.847 33.228 1.00 0.00 C ATOM 1004 CG GLU B 11 99.209 -22.746 34.347 1.00 0.00 C ATOM 1005 CD GLU B 11 98.624 -22.016 35.554 1.00 0.00 C ATOM 1006 OE1 GLU B 11 97.632 -21.326 35.389 1.00 0.00 O ATOM 1007 OE2 GLU B 11 99.182 -22.160 36.630 1.00 0.00 O ATOM 0 H GLU B 11 96.391 -23.542 31.589 1.00 0.00 H new ATOM 0 HA GLU B 11 97.663 -24.867 33.775 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.645 -23.071 32.280 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.651 -21.889 33.107 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.537 -23.744 34.640 1.00 0.00 H new ATOM 0 HG3 GLU B 11 100.089 -22.215 33.983 1.00 0.00 H new ATOM 1014 N HIS B 12 95.350 -22.673 34.586 1.00 0.00 N ATOM 1015 CA HIS B 12 94.528 -22.234 35.742 1.00 0.00 C ATOM 1016 C HIS B 12 93.817 -23.435 36.367 1.00 0.00 C ATOM 1017 O HIS B 12 93.785 -23.599 37.566 1.00 0.00 O ATOM 1018 CB HIS B 12 93.479 -21.222 35.292 1.00 0.00 C ATOM 1019 CG HIS B 12 92.787 -20.733 36.522 1.00 0.00 C ATOM 1020 ND1 HIS B 12 93.078 -19.494 37.102 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.913 -21.357 37.369 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.392 -19.422 38.267 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.687 -20.530 38.447 1.00 0.00 N ATOM 0 H HIS B 12 95.097 -22.264 33.687 1.00 0.00 H new ATOM 0 HA HIS B 12 95.189 -21.773 36.476 1.00 0.00 H new ATOM 0 HB2 HIS B 12 93.946 -20.395 34.758 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.768 -21.683 34.607 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.475 -22.332 37.218 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.416 -18.585 38.949 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.083 -20.734 39.244 1.00 0.00 H new ATOM 1031 N GLU B 13 93.225 -24.263 35.557 1.00 0.00 N ATOM 1032 CA GLU B 13 92.500 -25.446 36.097 1.00 0.00 C ATOM 1033 C GLU B 13 93.459 -26.346 36.878 1.00 0.00 C ATOM 1034 O GLU B 13 93.124 -26.886 37.912 1.00 0.00 O ATOM 1035 CB GLU B 13 91.902 -26.236 34.929 1.00 0.00 C ATOM 1036 CG GLU B 13 91.014 -27.350 35.479 1.00 0.00 C ATOM 1037 CD GLU B 13 90.408 -28.143 34.323 1.00 0.00 C ATOM 1038 OE1 GLU B 13 90.718 -27.832 33.186 1.00 0.00 O ATOM 1039 OE2 GLU B 13 89.650 -29.061 34.595 1.00 0.00 O ATOM 0 H GLU B 13 93.211 -24.173 34.541 1.00 0.00 H new ATOM 0 HA GLU B 13 91.710 -25.108 36.768 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.320 -25.575 34.287 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.697 -26.658 34.315 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.598 -28.011 36.119 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.222 -26.926 36.096 1.00 0.00 H new ATOM 1046 N LYS B 14 94.639 -26.532 36.372 1.00 0.00 N ATOM 1047 CA LYS B 14 95.623 -27.422 37.055 1.00 0.00 C ATOM 1048 C LYS B 14 96.048 -26.895 38.431 1.00 0.00 C ATOM 1049 O LYS B 14 96.363 -27.673 39.311 1.00 0.00 O ATOM 1050 CB LYS B 14 96.862 -27.572 36.176 1.00 0.00 C ATOM 1051 CG LYS B 14 96.495 -28.342 34.904 1.00 0.00 C ATOM 1052 CD LYS B 14 97.719 -28.469 33.984 1.00 0.00 C ATOM 1053 CE LYS B 14 98.634 -29.603 34.468 1.00 0.00 C ATOM 1054 NZ LYS B 14 97.852 -30.868 34.577 1.00 0.00 N ATOM 0 H LYS B 14 94.972 -26.105 35.508 1.00 0.00 H new ATOM 0 HA LYS B 14 95.133 -28.383 37.211 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.259 -26.590 35.918 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.645 -28.100 36.720 1.00 0.00 H new ATOM 0 HG2 LYS B 14 96.124 -29.333 35.165 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.689 -27.828 34.380 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.395 -28.665 32.962 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.270 -27.529 33.969 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.463 -29.736 33.773 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.066 -29.347 35.435 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 98.478 -31.679 34.400 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 97.448 -30.945 35.532 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 97.084 -30.863 33.875 1.00 0.00 H new ATOM 1068 N TYR B 15 96.119 -25.598 38.624 1.00 0.00 N ATOM 1069 CA TYR B 15 96.602 -25.076 39.954 1.00 0.00 C ATOM 1070 C TYR B 15 95.798 -23.859 40.431 1.00 0.00 C ATOM 1071 O TYR B 15 96.068 -23.318 41.486 1.00 0.00 O ATOM 1072 CB TYR B 15 98.066 -24.661 39.786 1.00 0.00 C ATOM 1073 CG TYR B 15 98.820 -25.770 39.083 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.296 -26.865 39.815 1.00 0.00 C ATOM 1075 CD2 TYR B 15 99.037 -25.709 37.693 1.00 0.00 C ATOM 1076 CE1 TYR B 15 99.992 -27.895 39.168 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.733 -26.740 37.049 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.207 -27.834 37.787 1.00 0.00 C ATOM 1079 OH TYR B 15 100.892 -28.851 37.147 1.00 0.00 O ATOM 0 H TYR B 15 95.870 -24.887 37.936 1.00 0.00 H new ATOM 0 HA TYR B 15 96.479 -25.862 40.699 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.131 -23.738 39.209 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.514 -24.461 40.759 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.126 -26.916 40.880 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.667 -24.869 37.124 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.362 -28.736 39.736 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.905 -26.692 35.984 1.00 0.00 H new ATOM 0 HH TYR B 15 100.744 -29.695 37.623 1.00 0.00 H new ATOM 1089 N HIS B 16 94.853 -23.388 39.673 1.00 0.00 N ATOM 1090 CA HIS B 16 94.098 -22.180 40.112 1.00 0.00 C ATOM 1091 C HIS B 16 95.128 -21.084 40.378 1.00 0.00 C ATOM 1092 O HIS B 16 95.050 -20.353 41.345 1.00 0.00 O ATOM 1093 CB HIS B 16 93.277 -22.441 41.392 1.00 0.00 C ATOM 1094 CG HIS B 16 92.085 -23.325 41.108 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.891 -22.857 40.572 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.859 -24.667 41.330 1.00 0.00 C ATOM 1097 CE1 HIS B 16 90.014 -23.859 40.489 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.552 -24.995 40.941 1.00 0.00 N ATOM 0 H HIS B 16 94.570 -23.781 38.775 1.00 0.00 H new ATOM 0 HA HIS B 16 93.388 -21.893 39.336 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.911 -22.912 42.144 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.938 -21.493 41.809 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.579 -25.360 41.741 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.008 -23.765 40.109 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.105 -25.911 40.993 1.00 0.00 H new ATOM 1106 N SER B 17 96.116 -20.995 39.524 1.00 0.00 N ATOM 1107 CA SER B 17 97.191 -19.977 39.711 1.00 0.00 C ATOM 1108 C SER B 17 96.605 -18.563 39.676 1.00 0.00 C ATOM 1109 O SER B 17 95.567 -18.319 39.095 1.00 0.00 O ATOM 1110 CB SER B 17 98.230 -20.129 38.600 1.00 0.00 C ATOM 1111 OG SER B 17 97.622 -19.865 37.344 1.00 0.00 O ATOM 0 H SER B 17 96.224 -21.588 38.701 1.00 0.00 H new ATOM 0 HA SER B 17 97.661 -20.135 40.682 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.059 -19.441 38.766 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.645 -21.137 38.611 1.00 0.00 H new ATOM 0 HG SER B 17 97.210 -20.685 37.001 1.00 0.00 H new ATOM 1117 N ASN B 18 97.278 -17.627 40.295 1.00 0.00 N ATOM 1118 CA ASN B 18 96.780 -16.222 40.305 1.00 0.00 C ATOM 1119 C ASN B 18 96.991 -15.609 38.918 1.00 0.00 C ATOM 1120 O ASN B 18 97.818 -16.066 38.158 1.00 0.00 O ATOM 1121 CB ASN B 18 97.557 -15.414 41.347 1.00 0.00 C ATOM 1122 CG ASN B 18 97.400 -16.065 42.727 1.00 0.00 C ATOM 1123 OD1 ASN B 18 96.290 -16.688 43.036 1.00 0.00 O flip ATOM 1124 ND2 ASN B 18 98.301 -16.002 43.542 1.00 0.00 N flip ATOM 0 H ASN B 18 98.154 -17.778 40.795 1.00 0.00 H new ATOM 0 HA ASN B 18 95.719 -16.207 40.556 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.611 -15.368 41.074 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.190 -14.388 41.374 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.168 -15.518 43.308 1.00 0.00 H new ATOM 0 HD22 ASN B 18 98.190 -16.433 44.460 1.00 0.00 H new ATOM 1131 N TRP B 19 96.253 -14.586 38.570 1.00 0.00 N ATOM 1132 CA TRP B 19 96.442 -13.979 37.219 1.00 0.00 C ATOM 1133 C TRP B 19 97.900 -13.535 37.056 1.00 0.00 C ATOM 1134 O TRP B 19 98.432 -13.524 35.963 1.00 0.00 O ATOM 1135 CB TRP B 19 95.496 -12.786 37.021 1.00 0.00 C ATOM 1136 CG TRP B 19 95.924 -11.639 37.874 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.408 -11.341 39.085 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.934 -10.625 37.598 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.035 -10.211 39.575 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.987 -9.737 38.698 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.809 -10.397 36.519 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.865 -8.654 38.720 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.695 -9.306 36.541 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.727 -8.441 37.642 1.00 0.00 C ATOM 0 H TRP B 19 95.538 -14.150 39.153 1.00 0.00 H new ATOM 0 HA TRP B 19 96.206 -14.726 36.461 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.491 -12.487 35.973 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.476 -13.076 37.274 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.631 -11.896 39.590 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.820 -9.781 40.475 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.799 -11.064 35.670 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.878 -7.983 39.566 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.355 -9.134 35.704 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.417 -7.610 37.657 1.00 0.00 H new ATOM 1155 N ARG B 20 98.552 -13.170 38.124 1.00 0.00 N ATOM 1156 CA ARG B 20 99.971 -12.731 38.011 1.00 0.00 C ATOM 1157 C ARG B 20 100.828 -13.879 37.479 1.00 0.00 C ATOM 1158 O ARG B 20 101.713 -13.682 36.671 1.00 0.00 O ATOM 1159 CB ARG B 20 100.489 -12.313 39.387 1.00 0.00 C ATOM 1160 CG ARG B 20 99.798 -11.029 39.847 1.00 0.00 C ATOM 1161 CD ARG B 20 100.378 -10.608 41.191 1.00 0.00 C ATOM 1162 NE ARG B 20 101.810 -10.253 41.010 1.00 0.00 N ATOM 1163 CZ ARG B 20 102.430 -9.556 41.916 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.802 -9.166 42.989 1.00 0.00 N ATOM 1165 NH2 ARG B 20 103.678 -9.236 41.740 1.00 0.00 N ATOM 0 H ARG B 20 98.165 -13.156 39.068 1.00 0.00 H new ATOM 0 HA ARG B 20 100.029 -11.886 37.324 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.308 -13.110 40.109 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.567 -12.159 39.346 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.943 -10.239 39.110 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.724 -11.190 39.934 1.00 0.00 H new ATOM 0 HD2 ARG B 20 99.826 -9.756 41.589 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.279 -11.418 41.914 1.00 0.00 H new ATOM 0 HE ARG B 20 102.308 -10.557 40.173 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.820 -9.407 43.121 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.293 -8.619 43.697 1.00 0.00 H new ATOM 0 HH21 ARG B 20 104.166 -9.532 40.894 1.00 0.00 H new ATOM 0 HH22 ARG B 20 104.169 -8.689 42.447 1.00 0.00 H new ATOM 1179 N ALA B 21 100.582 -15.075 37.930 1.00 0.00 N ATOM 1180 CA ALA B 21 101.390 -16.219 37.433 1.00 0.00 C ATOM 1181 C ALA B 21 101.040 -16.486 35.970 1.00 0.00 C ATOM 1182 O ALA B 21 101.906 -16.634 35.133 1.00 0.00 O ATOM 1183 CB ALA B 21 101.094 -17.469 38.277 1.00 0.00 C ATOM 0 H ALA B 21 99.863 -15.309 38.615 1.00 0.00 H new ATOM 0 HA ALA B 21 102.450 -15.979 37.514 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.688 -18.305 37.909 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.348 -17.273 39.319 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.035 -17.716 38.202 1.00 0.00 H new ATOM 1189 N MET B 22 99.772 -16.561 35.657 1.00 0.00 N ATOM 1190 CA MET B 22 99.381 -16.838 34.246 1.00 0.00 C ATOM 1191 C MET B 22 99.913 -15.740 33.341 1.00 0.00 C ATOM 1192 O MET B 22 100.394 -15.992 32.256 1.00 0.00 O ATOM 1193 CB MET B 22 97.859 -16.897 34.124 1.00 0.00 C ATOM 1194 CG MET B 22 97.336 -18.138 34.848 1.00 0.00 C ATOM 1195 SD MET B 22 95.586 -18.355 34.463 1.00 0.00 S ATOM 1196 CE MET B 22 94.968 -16.933 35.393 1.00 0.00 C ATOM 0 H MET B 22 98.999 -16.443 36.311 1.00 0.00 H new ATOM 0 HA MET B 22 99.804 -17.797 33.947 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.414 -15.999 34.552 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.569 -16.927 33.074 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.900 -19.018 34.540 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.474 -18.031 35.924 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.897 -17.047 35.563 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.483 -16.873 36.352 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.150 -16.020 34.826 1.00 0.00 H new ATOM 1206 N ALA B 23 99.840 -14.521 33.771 1.00 0.00 N ATOM 1207 CA ALA B 23 100.348 -13.422 32.917 1.00 0.00 C ATOM 1208 C ALA B 23 101.830 -13.650 32.618 1.00 0.00 C ATOM 1209 O ALA B 23 102.277 -13.516 31.497 1.00 0.00 O ATOM 1210 CB ALA B 23 100.176 -12.101 33.650 1.00 0.00 C ATOM 0 H ALA B 23 99.453 -14.237 34.671 1.00 0.00 H new ATOM 0 HA ALA B 23 99.791 -13.398 31.980 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.548 -11.288 33.027 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.120 -11.939 33.865 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.737 -12.128 34.584 1.00 0.00 H new ATOM 1216 N SER B 24 102.598 -13.980 33.614 1.00 0.00 N ATOM 1217 CA SER B 24 104.052 -14.206 33.392 1.00 0.00 C ATOM 1218 C SER B 24 104.284 -15.494 32.597 1.00 0.00 C ATOM 1219 O SER B 24 105.163 -15.566 31.761 1.00 0.00 O ATOM 1220 CB SER B 24 104.750 -14.309 34.739 1.00 0.00 C ATOM 1221 OG SER B 24 106.154 -14.349 34.541 1.00 0.00 O ATOM 0 H SER B 24 102.282 -14.104 34.576 1.00 0.00 H new ATOM 0 HA SER B 24 104.457 -13.370 32.822 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.484 -13.457 35.365 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.420 -15.205 35.264 1.00 0.00 H new ATOM 0 HG SER B 24 106.605 -14.414 35.409 1.00 0.00 H new ATOM 1227 N ASP B 25 103.522 -16.518 32.870 1.00 0.00 N ATOM 1228 CA ASP B 25 103.736 -17.807 32.146 1.00 0.00 C ATOM 1229 C ASP B 25 103.578 -17.603 30.642 1.00 0.00 C ATOM 1230 O ASP B 25 104.341 -18.131 29.856 1.00 0.00 O ATOM 1231 CB ASP B 25 102.699 -18.825 32.607 1.00 0.00 C ATOM 1232 CG ASP B 25 102.969 -19.203 34.062 1.00 0.00 C ATOM 1233 OD1 ASP B 25 104.055 -18.914 34.534 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.086 -19.770 34.679 1.00 0.00 O ATOM 0 H ASP B 25 102.767 -16.521 33.556 1.00 0.00 H new ATOM 0 HA ASP B 25 104.743 -18.164 32.362 1.00 0.00 H new ATOM 0 HB2 ASP B 25 101.696 -18.409 32.508 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.739 -19.713 31.976 1.00 0.00 H new ATOM 1239 N PHE B 26 102.590 -16.849 30.232 1.00 0.00 N ATOM 1240 CA PHE B 26 102.362 -16.607 28.772 1.00 0.00 C ATOM 1241 C PHE B 26 102.749 -15.171 28.413 1.00 0.00 C ATOM 1242 O PHE B 26 102.623 -14.749 27.281 1.00 0.00 O ATOM 1243 CB PHE B 26 100.885 -16.831 28.461 1.00 0.00 C ATOM 1244 CG PHE B 26 100.526 -18.262 28.755 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.171 -18.638 30.053 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.536 -19.209 27.726 1.00 0.00 C ATOM 1247 CE1 PHE B 26 99.824 -19.962 30.325 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.188 -20.536 27.997 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.832 -20.915 29.297 1.00 0.00 C ATOM 0 H PHE B 26 101.925 -16.386 30.851 1.00 0.00 H new ATOM 0 HA PHE B 26 102.975 -17.293 28.188 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.270 -16.159 29.060 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.683 -16.601 27.415 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.165 -17.904 30.845 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.812 -18.916 26.724 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.549 -20.253 31.328 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.194 -21.269 27.203 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.564 -21.940 29.507 1.00 0.00 H new ATOM 1259 N ASN B 27 103.215 -14.416 29.364 1.00 0.00 N ATOM 1260 CA ASN B 27 103.612 -13.011 29.065 1.00 0.00 C ATOM 1261 C ASN B 27 102.436 -12.254 28.436 1.00 0.00 C ATOM 1262 O ASN B 27 102.567 -11.658 27.383 1.00 0.00 O ATOM 1263 CB ASN B 27 104.803 -13.003 28.096 1.00 0.00 C ATOM 1264 CG ASN B 27 105.407 -11.595 28.033 1.00 0.00 C ATOM 1265 OD1 ASN B 27 105.377 -10.868 29.006 1.00 0.00 O ATOM 1266 ND2 ASN B 27 105.963 -11.174 26.926 1.00 0.00 N ATOM 0 H ASN B 27 103.339 -14.707 30.334 1.00 0.00 H new ATOM 0 HA ASN B 27 103.897 -12.520 29.995 1.00 0.00 H new ATOM 0 HB2 ASN B 27 105.557 -13.718 28.425 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.479 -13.315 27.103 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.369 -10.239 26.883 1.00 0.00 H new ATOM 0 HD22 ASN B 27 105.991 -11.781 26.106 1.00 0.00 H new ATOM 1273 N LEU B 28 101.293 -12.270 29.080 1.00 0.00 N ATOM 1274 CA LEU B 28 100.093 -11.545 28.545 1.00 0.00 C ATOM 1275 C LEU B 28 99.674 -10.493 29.572 1.00 0.00 C ATOM 1276 O LEU B 28 99.906 -10.661 30.753 1.00 0.00 O ATOM 1277 CB LEU B 28 98.949 -12.549 28.339 1.00 0.00 C ATOM 1278 CG LEU B 28 99.337 -13.540 27.233 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.329 -14.694 27.200 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.360 -12.827 25.861 1.00 0.00 C ATOM 0 H LEU B 28 101.138 -12.759 29.962 1.00 0.00 H new ATOM 0 HA LEU B 28 100.326 -11.068 27.593 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.747 -13.083 29.267 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.033 -12.024 28.068 1.00 0.00 H new ATOM 0 HG LEU B 28 100.332 -13.933 27.442 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.606 -15.397 26.414 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.331 -15.206 28.162 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.332 -14.301 27.000 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.637 -13.540 25.085 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.372 -12.421 25.645 1.00 0.00 H new ATOM 0 HD23 LEU B 28 100.088 -12.016 25.885 1.00 0.00 H new ATOM 1292 N PRO B 29 99.073 -9.409 29.146 1.00 0.00 N ATOM 1293 CA PRO B 29 98.645 -8.328 30.082 1.00 0.00 C ATOM 1294 C PRO B 29 97.628 -8.836 31.121 1.00 0.00 C ATOM 1295 O PRO B 29 96.866 -9.742 30.848 1.00 0.00 O ATOM 1296 CB PRO B 29 98.008 -7.266 29.160 1.00 0.00 C ATOM 1297 CG PRO B 29 97.679 -7.990 27.894 1.00 0.00 C ATOM 1298 CD PRO B 29 98.741 -9.077 27.748 1.00 0.00 C ATOM 0 HA PRO B 29 99.480 -7.939 30.665 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.113 -6.838 29.612 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.697 -6.442 28.974 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.680 -8.423 27.940 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.694 -7.312 27.041 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.360 -9.943 27.207 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.613 -8.718 27.201 1.00 0.00 H new ATOM 1306 N PRO B 30 97.600 -8.253 32.296 1.00 0.00 N ATOM 1307 CA PRO B 30 96.649 -8.670 33.354 1.00 0.00 C ATOM 1308 C PRO B 30 95.245 -8.897 32.795 1.00 0.00 C ATOM 1309 O PRO B 30 94.510 -9.745 33.237 1.00 0.00 O ATOM 1310 CB PRO B 30 96.634 -7.492 34.341 1.00 0.00 C ATOM 1311 CG PRO B 30 97.915 -6.736 34.117 1.00 0.00 C ATOM 1312 CD PRO B 30 98.468 -7.143 32.739 1.00 0.00 C ATOM 0 HA PRO B 30 96.950 -9.612 33.812 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.769 -6.851 34.168 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.567 -7.847 35.369 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.736 -5.661 34.154 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.636 -6.966 34.901 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.433 -6.310 32.037 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.509 -7.458 32.808 1.00 0.00 H new ATOM 1320 N VAL B 31 94.861 -8.108 31.841 1.00 0.00 N ATOM 1321 CA VAL B 31 93.492 -8.240 31.276 1.00 0.00 C ATOM 1322 C VAL B 31 93.230 -9.682 30.842 1.00 0.00 C ATOM 1323 O VAL B 31 92.223 -10.264 31.192 1.00 0.00 O ATOM 1324 CB VAL B 31 93.374 -7.307 30.062 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.999 -7.450 29.397 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.565 -5.859 30.520 1.00 0.00 C ATOM 0 H VAL B 31 95.435 -7.375 31.425 1.00 0.00 H new ATOM 0 HA VAL B 31 92.757 -7.970 32.035 1.00 0.00 H new ATOM 0 HB VAL B 31 94.141 -7.578 29.337 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.938 -6.780 28.540 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.861 -8.479 29.064 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.219 -7.193 30.114 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.482 -5.192 29.662 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.799 -5.605 31.252 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.550 -5.747 30.972 1.00 0.00 H new ATOM 1336 N VAL B 32 94.107 -10.260 30.079 1.00 0.00 N ATOM 1337 CA VAL B 32 93.861 -11.658 29.629 1.00 0.00 C ATOM 1338 C VAL B 32 93.931 -12.591 30.835 1.00 0.00 C ATOM 1339 O VAL B 32 93.057 -13.404 31.059 1.00 0.00 O ATOM 1340 CB VAL B 32 94.898 -12.065 28.570 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.588 -13.473 28.051 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.835 -11.084 27.402 1.00 0.00 C ATOM 0 H VAL B 32 94.974 -9.835 29.749 1.00 0.00 H new ATOM 0 HA VAL B 32 92.871 -11.728 29.178 1.00 0.00 H new ATOM 0 HB VAL B 32 95.891 -12.053 29.019 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.327 -13.755 27.301 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.622 -14.182 28.879 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.594 -13.485 27.604 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.569 -11.368 26.648 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.837 -11.104 26.963 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.054 -10.078 27.760 1.00 0.00 H new ATOM 1352 N ALA B 33 94.961 -12.478 31.624 1.00 0.00 N ATOM 1353 CA ALA B 33 95.071 -13.362 32.817 1.00 0.00 C ATOM 1354 C ALA B 33 93.955 -13.044 33.813 1.00 0.00 C ATOM 1355 O ALA B 33 93.349 -13.934 34.378 1.00 0.00 O ATOM 1356 CB ALA B 33 96.428 -13.152 33.483 1.00 0.00 C ATOM 0 H ALA B 33 95.727 -11.817 31.497 1.00 0.00 H new ATOM 0 HA ALA B 33 94.976 -14.401 32.500 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.509 -13.799 34.356 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.222 -13.395 32.777 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.524 -12.111 33.792 1.00 0.00 H new ATOM 1362 N LYS B 34 93.676 -11.790 34.043 1.00 0.00 N ATOM 1363 CA LYS B 34 92.599 -11.438 35.005 1.00 0.00 C ATOM 1364 C LYS B 34 91.259 -11.992 34.523 1.00 0.00 C ATOM 1365 O LYS B 34 90.453 -12.450 35.309 1.00 0.00 O ATOM 1366 CB LYS B 34 92.492 -9.920 35.128 1.00 0.00 C ATOM 1367 CG LYS B 34 93.783 -9.332 35.750 1.00 0.00 C ATOM 1368 CD LYS B 34 93.613 -9.138 37.276 1.00 0.00 C ATOM 1369 CE LYS B 34 93.031 -7.747 37.572 1.00 0.00 C ATOM 1370 NZ LYS B 34 91.648 -7.657 37.016 1.00 0.00 N ATOM 0 H LYS B 34 94.147 -10.997 33.607 1.00 0.00 H new ATOM 0 HA LYS B 34 92.843 -11.872 35.975 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.323 -9.481 34.145 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.633 -9.659 35.746 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.623 -9.998 35.554 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.017 -8.377 35.280 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.955 -9.909 37.677 1.00 0.00 H new ATOM 0 HD3 LYS B 34 94.576 -9.251 37.774 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.014 -7.569 38.647 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.662 -6.976 37.131 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 91.174 -6.814 37.399 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 91.694 -7.588 35.979 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 91.111 -8.507 37.282 1.00 0.00 H new ATOM 1384 N GLU B 35 91.003 -11.948 33.239 1.00 0.00 N ATOM 1385 CA GLU B 35 89.696 -12.461 32.744 1.00 0.00 C ATOM 1386 C GLU B 35 89.567 -13.938 33.111 1.00 0.00 C ATOM 1387 O GLU B 35 88.504 -14.406 33.469 1.00 0.00 O ATOM 1388 CB GLU B 35 89.605 -12.297 31.218 1.00 0.00 C ATOM 1389 CG GLU B 35 88.164 -12.550 30.751 1.00 0.00 C ATOM 1390 CD GLU B 35 87.848 -14.046 30.818 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.775 -14.832 30.733 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.684 -14.380 30.956 1.00 0.00 O ATOM 0 H GLU B 35 91.634 -11.584 32.525 1.00 0.00 H new ATOM 0 HA GLU B 35 88.888 -11.893 33.206 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.918 -11.293 30.932 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.284 -12.995 30.727 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.467 -11.994 31.378 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.034 -12.188 29.731 1.00 0.00 H new ATOM 1399 N ILE B 36 90.636 -14.683 33.031 1.00 0.00 N ATOM 1400 CA ILE B 36 90.551 -16.130 33.381 1.00 0.00 C ATOM 1401 C ILE B 36 90.096 -16.283 34.830 1.00 0.00 C ATOM 1402 O ILE B 36 89.309 -17.147 35.150 1.00 0.00 O ATOM 1403 CB ILE B 36 91.911 -16.799 33.168 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.241 -16.754 31.670 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.865 -18.260 33.638 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.650 -17.299 31.421 1.00 0.00 C ATOM 0 H ILE B 36 91.558 -14.356 32.741 1.00 0.00 H new ATOM 0 HA ILE B 36 89.822 -16.617 32.733 1.00 0.00 H new ATOM 0 HB ILE B 36 92.673 -16.273 33.743 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.512 -17.342 31.112 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.170 -15.729 31.305 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.839 -18.724 33.481 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.614 -18.293 34.698 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.109 -18.802 33.069 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.871 -17.261 30.354 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.376 -16.693 31.964 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.707 -18.331 31.767 1.00 0.00 H new ATOM 1418 N VAL B 37 90.580 -15.462 35.711 1.00 0.00 N ATOM 1419 CA VAL B 37 90.152 -15.575 37.128 1.00 0.00 C ATOM 1420 C VAL B 37 88.651 -15.301 37.209 1.00 0.00 C ATOM 1421 O VAL B 37 87.927 -15.937 37.949 1.00 0.00 O ATOM 1422 CB VAL B 37 90.917 -14.557 37.972 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.355 -14.538 39.398 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.404 -14.941 37.999 1.00 0.00 C ATOM 0 H VAL B 37 91.251 -14.720 35.514 1.00 0.00 H new ATOM 0 HA VAL B 37 90.362 -16.575 37.507 1.00 0.00 H new ATOM 0 HB VAL B 37 90.806 -13.564 37.537 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.904 -13.810 39.996 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.301 -14.263 39.370 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.460 -15.527 39.844 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.956 -14.218 38.600 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.515 -15.934 38.434 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.798 -14.943 36.983 1.00 0.00 H new ATOM 1434 N ALA B 38 88.188 -14.348 36.448 1.00 0.00 N ATOM 1435 CA ALA B 38 86.738 -14.005 36.451 1.00 0.00 C ATOM 1436 C ALA B 38 85.923 -15.215 35.984 1.00 0.00 C ATOM 1437 O ALA B 38 84.797 -15.415 36.392 1.00 0.00 O ATOM 1438 CB ALA B 38 86.496 -12.841 35.487 1.00 0.00 C ATOM 0 H ALA B 38 88.759 -13.786 35.817 1.00 0.00 H new ATOM 0 HA ALA B 38 86.433 -13.725 37.460 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.437 -12.585 35.484 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.077 -11.976 35.807 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.801 -13.132 34.482 1.00 0.00 H new ATOM 1444 N SER B 39 86.475 -16.010 35.111 1.00 0.00 N ATOM 1445 CA SER B 39 85.726 -17.191 34.601 1.00 0.00 C ATOM 1446 C SER B 39 85.750 -18.326 35.635 1.00 0.00 C ATOM 1447 O SER B 39 84.882 -19.180 35.654 1.00 0.00 O ATOM 1448 CB SER B 39 86.369 -17.665 33.294 1.00 0.00 C ATOM 1449 OG SER B 39 86.604 -16.546 32.445 1.00 0.00 O ATOM 0 H SER B 39 87.413 -15.893 34.728 1.00 0.00 H new ATOM 0 HA SER B 39 84.689 -16.909 34.421 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.307 -18.179 33.504 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.717 -18.382 32.795 1.00 0.00 H new ATOM 0 HG SER B 39 85.787 -16.009 32.378 1.00 0.00 H new ATOM 1455 N CYS B 40 86.728 -18.338 36.502 1.00 0.00 N ATOM 1456 CA CYS B 40 86.800 -19.413 37.537 1.00 0.00 C ATOM 1457 C CYS B 40 85.896 -19.054 38.725 1.00 0.00 C ATOM 1458 O CYS B 40 86.187 -18.161 39.495 1.00 0.00 O ATOM 1459 CB CYS B 40 88.242 -19.550 38.027 1.00 0.00 C ATOM 1460 SG CYS B 40 88.320 -20.799 39.331 1.00 0.00 S ATOM 0 H CYS B 40 87.480 -17.650 36.539 1.00 0.00 H new ATOM 0 HA CYS B 40 86.467 -20.354 37.100 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.893 -19.832 37.200 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.602 -18.593 38.404 1.00 0.00 H new ATOM 0 HG CYS B 40 89.214 -20.454 40.210 1.00 0.00 H new ATOM 1465 N ASP B 41 84.790 -19.732 38.858 1.00 0.00 N ATOM 1466 CA ASP B 41 83.854 -19.446 39.985 1.00 0.00 C ATOM 1467 C ASP B 41 84.544 -19.657 41.329 1.00 0.00 C ATOM 1468 O ASP B 41 84.221 -19.019 42.312 1.00 0.00 O ATOM 1469 CB ASP B 41 82.644 -20.375 39.888 1.00 0.00 C ATOM 1470 CG ASP B 41 81.880 -20.075 38.599 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.239 -19.120 37.934 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.956 -20.811 38.294 1.00 0.00 O ATOM 0 H ASP B 41 84.491 -20.478 38.230 1.00 0.00 H new ATOM 0 HA ASP B 41 83.535 -18.406 39.916 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.968 -21.416 39.899 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.993 -20.235 40.751 1.00 0.00 H new ATOM 1477 N LYS B 42 85.474 -20.568 41.398 1.00 0.00 N ATOM 1478 CA LYS B 42 86.153 -20.821 42.699 1.00 0.00 C ATOM 1479 C LYS B 42 87.093 -19.669 43.053 1.00 0.00 C ATOM 1480 O LYS B 42 87.164 -19.254 44.191 1.00 0.00 O ATOM 1481 CB LYS B 42 86.954 -22.120 42.614 1.00 0.00 C ATOM 1482 CG LYS B 42 86.011 -23.286 42.320 1.00 0.00 C ATOM 1483 CD LYS B 42 86.789 -24.595 42.427 1.00 0.00 C ATOM 1484 CE LYS B 42 85.887 -25.761 42.034 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.928 -26.039 43.143 1.00 0.00 N ATOM 0 H LYS B 42 85.791 -21.143 40.618 1.00 0.00 H new ATOM 0 HA LYS B 42 85.393 -20.903 43.476 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.708 -22.043 41.831 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.483 -22.295 43.551 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.179 -23.284 43.024 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.584 -23.182 41.322 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.664 -24.564 41.777 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.153 -24.731 43.445 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.344 -25.523 41.119 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.488 -26.647 41.827 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.381 -26.895 42.922 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.454 -26.183 44.029 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.280 -25.233 43.252 1.00 0.00 H new ATOM 1499 N CYS B 43 87.815 -19.138 42.101 1.00 0.00 N ATOM 1500 CA CYS B 43 88.739 -18.007 42.427 1.00 0.00 C ATOM 1501 C CYS B 43 87.989 -16.685 42.286 1.00 0.00 C ATOM 1502 O CYS B 43 88.362 -15.686 42.868 1.00 0.00 O ATOM 1503 CB CYS B 43 89.941 -18.020 41.480 1.00 0.00 C ATOM 1504 SG CYS B 43 90.907 -19.531 41.750 1.00 0.00 S ATOM 0 H CYS B 43 87.807 -19.432 41.124 1.00 0.00 H new ATOM 0 HA CYS B 43 89.095 -18.119 43.451 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.603 -17.972 40.445 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.563 -17.142 41.653 1.00 0.00 H new ATOM 0 HG CYS B 43 91.927 -19.544 40.944 1.00 0.00 H new ATOM 1509 N GLN B 44 86.945 -16.666 41.511 1.00 0.00 N ATOM 1510 CA GLN B 44 86.180 -15.400 41.333 1.00 0.00 C ATOM 1511 C GLN B 44 85.301 -15.157 42.553 1.00 0.00 C ATOM 1512 O GLN B 44 85.540 -14.254 43.330 1.00 0.00 O ATOM 1513 CB GLN B 44 85.302 -15.493 40.087 1.00 0.00 C ATOM 1514 CG GLN B 44 84.698 -14.118 39.780 1.00 0.00 C ATOM 1515 CD GLN B 44 83.787 -14.230 38.560 1.00 0.00 C ATOM 1516 OE1 GLN B 44 84.012 -13.467 37.527 1.00 0.00 O flip ATOM 1517 NE2 GLN B 44 82.865 -15.022 38.544 1.00 0.00 N flip ATOM 0 H GLN B 44 86.587 -17.469 40.993 1.00 0.00 H new ATOM 0 HA GLN B 44 86.882 -14.574 41.218 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.892 -15.840 39.239 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.508 -16.224 40.243 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.133 -13.756 40.639 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.490 -13.393 39.592 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.691 -15.618 39.353 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.266 -15.091 37.721 1.00 0.00 H new