USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 903 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 30 ASN : amide:sc= -3.86! C(o=-3.2!,f=-5.1!) USER MOD Set 1.2: B 35 LYS NZ :NH3+ 163:sc= 0.67 (180deg=-0.0573) USER MOD Set 2.1: B 15 CYS SG : rot -100:sc= 1.73 USER MOD Set 2.2: B 19 MET CE :methyl -170:sc= -0.143 (180deg=-0.459) USER MOD Single : A 6 ASN : amide:sc= 1.08 K(o=1.1,f=-0.16) USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= -0.0277 (180deg=-0.166) USER MOD Single : A 15 CYS SG : rot -89:sc= 1.23 USER MOD Single : A 19 MET CE :methyl -167:sc= -0.0491 (180deg=-0.312) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= -0.0747 (180deg=-1.46!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.478 K(o=0.48,f=-3.1!) USER MOD Single : A 34 LYS NZ :NH3+ -142:sc= 1.62 (180deg=-0.722) USER MOD Single : A 35 LYS NZ :NH3+ 140:sc= 1.22 (180deg=0.84) USER MOD Single : A 39 GLN : amide:sc= -4.05! C(o=-4.1!,f=-6.8!) USER MOD Single : A 44 THR OG1 : rot 85:sc= 0.928 USER MOD Single : A 45 HIS :FLIP no HD1:sc= -5.86! C(o=-6.8!,f=-5.9!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.289 F(o=-4.1!,f=-0.29) USER MOD Single : B 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ -174:sc= -0.397 (180deg=-0.431) USER MOD Single : B 21 GLN : amide:sc= -0.838 X(o=-0.84,f=-0.74) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 34 LYS NZ :NH3+ 163:sc= -3.59! (180deg=-4.83!) USER MOD Single : B 39 GLN : amide:sc= -2.02! X(o=-2!,f=-1.8) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -8.54! C(o=-8.5!,f=-9.7!) USER MOD Single : B 54 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 57 GLN :FLIP amide:sc= -0.486 F(o=-4.4!,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 -6.237 -8.585 6.964 1.00 0.00 N ATOM 57 CA VAL A 5 -6.916 -7.359 6.717 1.00 0.00 C ATOM 58 C VAL A 5 -5.926 -6.283 6.999 1.00 0.00 C ATOM 59 O VAL A 5 -5.601 -5.999 8.163 1.00 0.00 O ATOM 60 CB VAL A 5 -8.184 -7.128 7.586 1.00 0.00 C ATOM 61 CG1 VAL A 5 -8.809 -5.788 7.212 1.00 0.00 C ATOM 62 CG2 VAL A 5 -9.200 -8.249 7.398 1.00 0.00 C ATOM 0 HA VAL A 5 -7.280 -7.370 5.689 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.889 -7.122 8.635 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.699 -5.620 7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.091 -4.988 7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.085 -5.797 6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -10.074 -8.056 8.020 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.502 -8.295 6.352 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.751 -9.199 7.688 1.00 0.00 H new ATOM 72 N ASN A 6 -5.401 -5.746 5.965 1.00 0.00 N ATOM 73 CA ASN A 6 -4.367 -4.760 6.038 1.00 0.00 C ATOM 74 C ASN A 6 -4.651 -3.704 5.054 1.00 0.00 C ATOM 75 O ASN A 6 -4.511 -3.889 3.828 1.00 0.00 O ATOM 76 CB ASN A 6 -2.983 -5.359 5.798 1.00 0.00 C ATOM 77 CG ASN A 6 -2.538 -6.266 6.913 1.00 0.00 C ATOM 78 OD1 ASN A 6 -1.947 -5.827 7.899 1.00 0.00 O ATOM 79 ND2 ASN A 6 -2.782 -7.525 6.766 1.00 0.00 N ATOM 0 H ASN A 6 -5.679 -5.980 5.012 1.00 0.00 H new ATOM 0 HA ASN A 6 -4.356 -4.343 7.045 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.992 -5.918 4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.259 -4.553 5.681 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.482 -8.189 7.480 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.274 -7.856 5.936 1.00 0.00 H new ATOM 86 N VAL A 7 -5.172 -2.673 5.572 1.00 0.00 N ATOM 87 CA VAL A 7 -5.553 -1.509 4.821 1.00 0.00 C ATOM 88 C VAL A 7 -4.745 -0.302 5.317 1.00 0.00 C ATOM 89 O VAL A 7 -4.750 -0.026 6.520 1.00 0.00 O ATOM 90 CB VAL A 7 -7.066 -1.207 5.015 1.00 0.00 C ATOM 91 CG1 VAL A 7 -7.494 0.033 4.259 1.00 0.00 C ATOM 92 CG2 VAL A 7 -7.933 -2.403 4.639 1.00 0.00 C ATOM 0 H VAL A 7 -5.362 -2.591 6.571 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.356 -1.694 3.765 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.214 -1.012 6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.557 0.209 4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.926 0.892 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.307 -0.107 3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.983 -2.152 4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.766 -2.659 3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.670 -3.254 5.267 1.00 0.00 H new ATOM 102 N LEU A 8 -4.088 0.421 4.431 1.00 0.00 N ATOM 103 CA LEU A 8 -3.326 1.607 4.838 1.00 0.00 C ATOM 104 C LEU A 8 -2.936 2.459 3.644 1.00 0.00 C ATOM 105 O LEU A 8 -3.084 2.031 2.493 1.00 0.00 O ATOM 106 CB LEU A 8 -2.092 1.265 5.714 1.00 0.00 C ATOM 107 CG LEU A 8 -0.939 0.507 5.101 1.00 0.00 C ATOM 108 CD1 LEU A 8 0.140 0.346 6.138 1.00 0.00 C ATOM 109 CD2 LEU A 8 -1.335 -0.853 4.566 1.00 0.00 C ATOM 0 H LEU A 8 -4.060 0.219 3.432 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.996 2.194 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.697 2.203 6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.446 0.688 6.568 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.584 1.086 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.979 -0.200 5.708 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.477 1.329 6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.254 -0.207 6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.461 -1.345 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.734 -1.461 5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.096 -0.733 3.795 1.00 0.00 H new ATOM 121 N LYS A 9 -2.433 3.652 3.918 1.00 0.00 N ATOM 122 CA LYS A 9 -2.124 4.617 2.885 1.00 0.00 C ATOM 123 C LYS A 9 -0.642 4.951 2.858 1.00 0.00 C ATOM 124 O LYS A 9 0.001 5.088 3.910 1.00 0.00 O ATOM 125 CB LYS A 9 -3.021 5.856 3.075 1.00 0.00 C ATOM 126 CG LYS A 9 -2.943 6.961 1.991 1.00 0.00 C ATOM 127 CD LYS A 9 -1.755 7.918 2.154 1.00 0.00 C ATOM 128 CE LYS A 9 -1.831 8.716 3.460 1.00 0.00 C ATOM 129 NZ LYS A 9 -3.076 9.528 3.560 1.00 0.00 N ATOM 0 H LYS A 9 -2.229 3.975 4.864 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.339 4.190 1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.055 5.518 3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.774 6.308 4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.883 6.489 1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.867 7.539 2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.826 7.349 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.727 8.607 1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.780 8.030 4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.965 9.374 3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.998 10.186 4.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.210 10.067 2.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.890 8.898 3.707 1.00 0.00 H new ATOM 143 N GLY A 10 -0.113 5.058 1.657 1.00 0.00 N ATOM 144 CA GLY A 10 1.278 5.343 1.446 1.00 0.00 C ATOM 145 C GLY A 10 1.662 5.031 0.019 1.00 0.00 C ATOM 146 O GLY A 10 0.993 5.486 -0.916 1.00 0.00 O ATOM 0 H GLY A 10 -0.648 4.947 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.479 6.392 1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.886 4.753 2.132 1.00 0.00 H new ATOM 150 N VAL A 11 2.708 4.254 -0.159 1.00 0.00 N ATOM 151 CA VAL A 11 3.172 3.882 -1.476 1.00 0.00 C ATOM 152 C VAL A 11 3.327 2.353 -1.570 1.00 0.00 C ATOM 153 O VAL A 11 3.852 1.701 -0.659 1.00 0.00 O ATOM 154 CB VAL A 11 4.529 4.583 -1.846 1.00 0.00 C ATOM 155 CG1 VAL A 11 4.982 4.219 -3.250 1.00 0.00 C ATOM 156 CG2 VAL A 11 4.428 6.096 -1.714 1.00 0.00 C ATOM 0 H VAL A 11 3.260 3.863 0.605 1.00 0.00 H new ATOM 0 HA VAL A 11 2.423 4.219 -2.192 1.00 0.00 H new ATOM 0 HB VAL A 11 5.273 4.220 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.923 4.722 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.122 3.140 -3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.226 4.533 -3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.384 6.549 -1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.653 6.469 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.175 6.355 -0.686 1.00 0.00 H new ATOM 166 N LEU A 12 2.859 1.827 -2.660 1.00 0.00 N ATOM 167 CA LEU A 12 2.896 0.424 -3.009 1.00 0.00 C ATOM 168 C LEU A 12 4.098 0.171 -3.900 1.00 0.00 C ATOM 169 O LEU A 12 4.397 0.992 -4.741 1.00 0.00 O ATOM 170 CB LEU A 12 1.632 0.123 -3.832 1.00 0.00 C ATOM 171 CG LEU A 12 1.621 -1.185 -4.624 1.00 0.00 C ATOM 172 CD1 LEU A 12 1.594 -2.405 -3.712 1.00 0.00 C ATOM 173 CD2 LEU A 12 0.477 -1.196 -5.624 1.00 0.00 C ATOM 0 H LEU A 12 2.411 2.394 -3.380 1.00 0.00 H new ATOM 0 HA LEU A 12 2.952 -0.194 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.779 0.117 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.478 0.945 -4.531 1.00 0.00 H new ATOM 0 HG LEU A 12 2.554 -1.243 -5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.587 -3.312 -4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.478 -2.402 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.698 -2.376 -3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.487 -2.135 -6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.470 -1.097 -5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.593 -0.364 -6.319 1.00 0.00 H new ATOM 185 N ILE A 13 4.788 -0.936 -3.714 1.00 0.00 N ATOM 186 CA ILE A 13 5.875 -1.288 -4.613 1.00 0.00 C ATOM 187 C ILE A 13 5.674 -2.701 -5.126 1.00 0.00 C ATOM 188 O ILE A 13 5.348 -3.613 -4.343 1.00 0.00 O ATOM 189 CB ILE A 13 7.275 -1.389 -3.936 1.00 0.00 C ATOM 190 CG1 ILE A 13 7.566 -0.357 -2.857 1.00 0.00 C ATOM 191 CG2 ILE A 13 8.386 -1.362 -4.989 1.00 0.00 C ATOM 192 CD1 ILE A 13 7.626 1.079 -3.294 1.00 0.00 C ATOM 0 H ILE A 13 4.621 -1.602 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 13 5.856 -0.497 -5.362 1.00 0.00 H new ATOM 0 HB ILE A 13 7.252 -2.347 -3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.801 -0.446 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.518 -0.611 -2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.356 -1.434 -4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.262 -2.204 -5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.332 -0.429 -5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.840 1.713 -2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.413 1.200 -4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.669 1.368 -3.728 1.00 0.00 H new ATOM 204 N GLU A 14 5.812 -2.878 -6.396 1.00 0.00 N ATOM 205 CA GLU A 14 6.098 -4.165 -6.933 1.00 0.00 C ATOM 206 C GLU A 14 7.193 -3.961 -7.939 1.00 0.00 C ATOM 207 O GLU A 14 7.067 -3.157 -8.851 1.00 0.00 O ATOM 208 CB GLU A 14 4.882 -4.900 -7.552 1.00 0.00 C ATOM 209 CG GLU A 14 4.182 -4.205 -8.699 1.00 0.00 C ATOM 210 CD GLU A 14 3.009 -4.991 -9.261 1.00 0.00 C ATOM 211 OE1 GLU A 14 3.190 -5.808 -10.187 1.00 0.00 O ATOM 212 OE2 GLU A 14 1.887 -4.813 -8.776 1.00 0.00 O ATOM 0 H GLU A 14 5.730 -2.136 -7.091 1.00 0.00 H new ATOM 0 HA GLU A 14 6.398 -4.828 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.216 -5.878 -7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.151 -5.074 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.828 -3.231 -8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.902 -4.023 -9.497 1.00 0.00 H new ATOM 219 N CYS A 15 8.285 -4.583 -7.709 1.00 0.00 N ATOM 220 CA CYS A 15 9.378 -4.520 -8.643 1.00 0.00 C ATOM 221 C CYS A 15 9.968 -5.890 -8.817 1.00 0.00 C ATOM 222 O CYS A 15 9.723 -6.571 -9.810 1.00 0.00 O ATOM 223 CB CYS A 15 10.426 -3.535 -8.138 1.00 0.00 C ATOM 224 SG CYS A 15 11.885 -3.336 -9.188 1.00 0.00 S ATOM 0 H CYS A 15 8.462 -5.150 -6.880 1.00 0.00 H new ATOM 0 HA CYS A 15 9.018 -4.173 -9.612 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.953 -2.561 -8.016 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.754 -3.856 -7.149 1.00 0.00 H new ATOM 0 HG CYS A 15 12.784 -4.214 -8.853 1.00 0.00 H new ATOM 230 N ASP A 16 10.699 -6.310 -7.836 1.00 0.00 N ATOM 231 CA ASP A 16 11.318 -7.579 -7.826 1.00 0.00 C ATOM 232 C ASP A 16 11.395 -8.017 -6.388 1.00 0.00 C ATOM 233 O ASP A 16 11.715 -7.220 -5.521 1.00 0.00 O ATOM 234 CB ASP A 16 12.712 -7.554 -8.503 1.00 0.00 C ATOM 235 CG ASP A 16 13.734 -6.654 -7.833 1.00 0.00 C ATOM 236 OD1 ASP A 16 13.813 -5.443 -8.180 1.00 0.00 O ATOM 237 OD2 ASP A 16 14.510 -7.156 -6.990 1.00 0.00 O ATOM 0 H ASP A 16 10.882 -5.757 -6.999 1.00 0.00 H new ATOM 0 HA ASP A 16 10.734 -8.291 -8.409 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.106 -8.570 -8.528 1.00 0.00 H new ATOM 0 HB3 ASP A 16 12.591 -7.234 -9.538 1.00 0.00 H new ATOM 242 N PRO A 17 11.054 -9.257 -6.085 1.00 0.00 N ATOM 243 CA PRO A 17 10.990 -9.757 -4.696 1.00 0.00 C ATOM 244 C PRO A 17 12.362 -9.848 -4.016 1.00 0.00 C ATOM 245 O PRO A 17 12.458 -10.110 -2.822 1.00 0.00 O ATOM 246 CB PRO A 17 10.359 -11.133 -4.876 1.00 0.00 C ATOM 247 CG PRO A 17 9.671 -11.019 -6.183 1.00 0.00 C ATOM 248 CD PRO A 17 10.642 -10.307 -7.024 1.00 0.00 C ATOM 0 HA PRO A 17 10.430 -9.091 -4.039 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.110 -11.923 -4.883 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.661 -11.365 -4.072 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.427 -11.998 -6.594 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.735 -10.467 -6.097 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.473 -10.941 -7.333 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.193 -9.904 -7.932 1.00 0.00 H new ATOM 256 N ALA A 18 13.403 -9.655 -4.783 1.00 0.00 N ATOM 257 CA ALA A 18 14.757 -9.607 -4.271 1.00 0.00 C ATOM 258 C ALA A 18 14.972 -8.318 -3.471 1.00 0.00 C ATOM 259 O ALA A 18 15.597 -8.321 -2.370 1.00 0.00 O ATOM 260 CB ALA A 18 15.723 -9.690 -5.418 1.00 0.00 C ATOM 0 H ALA A 18 13.339 -9.525 -5.793 1.00 0.00 H new ATOM 0 HA ALA A 18 14.927 -10.452 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.744 -9.654 -5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.569 -10.625 -5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.558 -8.851 -6.094 1.00 0.00 H new ATOM 266 N MET A 19 14.393 -7.219 -3.993 1.00 0.00 N ATOM 267 CA MET A 19 14.518 -5.903 -3.365 1.00 0.00 C ATOM 268 C MET A 19 13.918 -5.969 -1.986 1.00 0.00 C ATOM 269 O MET A 19 14.405 -5.348 -1.070 1.00 0.00 O ATOM 270 CB MET A 19 13.793 -4.797 -4.179 1.00 0.00 C ATOM 271 CG MET A 19 12.281 -4.729 -3.940 1.00 0.00 C ATOM 272 SD MET A 19 11.424 -3.553 -4.993 1.00 0.00 S ATOM 273 CE MET A 19 12.195 -2.014 -4.488 1.00 0.00 C ATOM 0 H MET A 19 13.836 -7.224 -4.847 1.00 0.00 H new ATOM 0 HA MET A 19 15.576 -5.646 -3.324 1.00 0.00 H new ATOM 0 HB2 MET A 19 14.233 -3.831 -3.930 1.00 0.00 H new ATOM 0 HB3 MET A 19 13.974 -4.965 -5.241 1.00 0.00 H new ATOM 0 HG2 MET A 19 11.854 -5.720 -4.097 1.00 0.00 H new ATOM 0 HG3 MET A 19 12.100 -4.466 -2.898 1.00 0.00 H new ATOM 0 HE1 MET A 19 11.619 -1.174 -4.876 1.00 0.00 H new ATOM 0 HE2 MET A 19 12.225 -1.962 -3.400 1.00 0.00 H new ATOM 0 HE3 MET A 19 13.211 -1.970 -4.881 1.00 0.00 H new ATOM 283 N LYS A 20 12.900 -6.817 -1.865 1.00 0.00 N ATOM 284 CA LYS A 20 12.169 -7.050 -0.652 1.00 0.00 C ATOM 285 C LYS A 20 13.090 -7.478 0.445 1.00 0.00 C ATOM 286 O LYS A 20 13.048 -6.937 1.540 1.00 0.00 O ATOM 287 CB LYS A 20 11.136 -8.162 -0.912 1.00 0.00 C ATOM 288 CG LYS A 20 10.605 -8.886 0.339 1.00 0.00 C ATOM 289 CD LYS A 20 9.864 -7.974 1.291 1.00 0.00 C ATOM 290 CE LYS A 20 8.666 -7.401 0.631 1.00 0.00 C ATOM 291 NZ LYS A 20 7.731 -8.433 0.153 1.00 0.00 N ATOM 0 H LYS A 20 12.559 -7.376 -2.648 1.00 0.00 H new ATOM 0 HA LYS A 20 11.674 -6.128 -0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.290 -7.729 -1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.585 -8.902 -1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.940 -9.692 0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.441 -9.347 0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.566 -8.530 2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.523 -7.172 1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.149 -6.745 1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.980 -6.784 -0.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.794 -8.008 0.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.081 -8.831 -0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.657 -9.190 0.863 1.00 0.00 H new ATOM 305 N GLN A 21 13.940 -8.399 0.136 1.00 0.00 N ATOM 306 CA GLN A 21 14.750 -9.001 1.128 1.00 0.00 C ATOM 307 C GLN A 21 15.817 -8.061 1.619 1.00 0.00 C ATOM 308 O GLN A 21 16.073 -7.982 2.834 1.00 0.00 O ATOM 309 CB GLN A 21 15.275 -10.315 0.640 1.00 0.00 C ATOM 310 CG GLN A 21 14.152 -11.182 0.095 1.00 0.00 C ATOM 311 CD GLN A 21 14.576 -12.602 -0.186 1.00 0.00 C ATOM 312 OE1 GLN A 21 15.735 -12.875 -0.491 1.00 0.00 O ATOM 313 NE2 GLN A 21 13.640 -13.512 -0.122 1.00 0.00 N ATOM 0 H GLN A 21 14.089 -8.751 -0.810 1.00 0.00 H new ATOM 0 HA GLN A 21 14.140 -9.217 2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.020 -10.147 -0.138 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.778 -10.835 1.455 1.00 0.00 H new ATOM 0 HG2 GLN A 21 13.330 -11.191 0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 21 13.771 -10.736 -0.823 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.689 -13.248 0.135 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.861 -14.486 -0.329 1.00 0.00 H new ATOM 322 N PHE A 22 16.428 -7.315 0.711 1.00 0.00 N ATOM 323 CA PHE A 22 17.369 -6.306 1.171 1.00 0.00 C ATOM 324 C PHE A 22 16.676 -5.148 1.903 1.00 0.00 C ATOM 325 O PHE A 22 17.232 -4.564 2.813 1.00 0.00 O ATOM 326 CB PHE A 22 18.485 -5.879 0.180 1.00 0.00 C ATOM 327 CG PHE A 22 18.067 -5.228 -1.116 1.00 0.00 C ATOM 328 CD1 PHE A 22 17.641 -3.908 -1.145 1.00 0.00 C ATOM 329 CD2 PHE A 22 18.162 -5.921 -2.312 1.00 0.00 C ATOM 330 CE1 PHE A 22 17.313 -3.295 -2.339 1.00 0.00 C ATOM 331 CE2 PHE A 22 17.831 -5.316 -3.508 1.00 0.00 C ATOM 332 CZ PHE A 22 17.405 -4.000 -3.522 1.00 0.00 C ATOM 0 H PHE A 22 16.300 -7.381 -0.299 1.00 0.00 H new ATOM 0 HA PHE A 22 17.963 -6.831 1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 22 19.150 -5.190 0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 22 19.072 -6.764 -0.064 1.00 0.00 H new ATOM 0 HD1 PHE A 22 17.565 -3.352 -0.222 1.00 0.00 H new ATOM 0 HD2 PHE A 22 18.499 -6.947 -2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 22 16.985 -2.266 -2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 22 17.905 -5.870 -4.432 1.00 0.00 H new ATOM 0 HZ PHE A 22 17.145 -3.525 -4.457 1.00 0.00 H new ATOM 342 N LEU A 23 15.472 -4.822 1.462 1.00 0.00 N ATOM 343 CA LEU A 23 14.622 -3.819 2.046 1.00 0.00 C ATOM 344 C LEU A 23 14.305 -4.169 3.498 1.00 0.00 C ATOM 345 O LEU A 23 14.327 -3.302 4.359 1.00 0.00 O ATOM 346 CB LEU A 23 13.353 -3.784 1.204 1.00 0.00 C ATOM 347 CG LEU A 23 12.956 -2.473 0.549 1.00 0.00 C ATOM 348 CD1 LEU A 23 14.113 -1.905 -0.275 1.00 0.00 C ATOM 349 CD2 LEU A 23 11.768 -2.681 -0.371 1.00 0.00 C ATOM 0 H LEU A 23 15.050 -5.274 0.651 1.00 0.00 H new ATOM 0 HA LEU A 23 15.108 -2.843 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.457 -4.530 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.525 -4.102 1.838 1.00 0.00 H new ATOM 0 HG LEU A 23 12.695 -1.773 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.805 -0.966 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.970 -1.727 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.389 -2.617 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.495 -1.732 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.030 -3.400 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.924 -3.060 0.205 1.00 0.00 H new ATOM 361 N LEU A 24 14.056 -5.435 3.767 1.00 0.00 N ATOM 362 CA LEU A 24 13.821 -5.905 5.137 1.00 0.00 C ATOM 363 C LEU A 24 15.059 -5.666 5.979 1.00 0.00 C ATOM 364 O LEU A 24 14.975 -5.124 7.087 1.00 0.00 O ATOM 365 CB LEU A 24 13.516 -7.383 5.119 1.00 0.00 C ATOM 366 CG LEU A 24 12.281 -7.781 4.349 1.00 0.00 C ATOM 367 CD1 LEU A 24 12.317 -9.253 4.089 1.00 0.00 C ATOM 368 CD2 LEU A 24 11.022 -7.410 5.121 1.00 0.00 C ATOM 0 H LEU A 24 14.009 -6.167 3.058 1.00 0.00 H new ATOM 0 HA LEU A 24 12.978 -5.360 5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.372 -7.908 4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.408 -7.727 6.148 1.00 0.00 H new ATOM 0 HG LEU A 24 12.263 -7.244 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.427 -9.546 3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.205 -9.498 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.345 -9.789 5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.143 -7.706 4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.019 -7.925 6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.001 -6.333 5.287 1.00 0.00 H new ATOM 380 N TYR A 25 16.205 -6.033 5.417 1.00 0.00 N ATOM 381 CA TYR A 25 17.496 -5.853 6.065 1.00 0.00 C ATOM 382 C TYR A 25 17.753 -4.383 6.349 1.00 0.00 C ATOM 383 O TYR A 25 18.144 -4.006 7.453 1.00 0.00 O ATOM 384 CB TYR A 25 18.618 -6.420 5.183 1.00 0.00 C ATOM 385 CG TYR A 25 20.014 -6.132 5.696 1.00 0.00 C ATOM 386 CD1 TYR A 25 20.584 -6.906 6.692 1.00 0.00 C ATOM 387 CD2 TYR A 25 20.762 -5.074 5.179 1.00 0.00 C ATOM 388 CE1 TYR A 25 21.851 -6.640 7.158 1.00 0.00 C ATOM 389 CE2 TYR A 25 22.026 -4.807 5.642 1.00 0.00 C ATOM 390 CZ TYR A 25 22.569 -5.594 6.633 1.00 0.00 C ATOM 391 OH TYR A 25 23.839 -5.330 7.109 1.00 0.00 O ATOM 0 H TYR A 25 16.264 -6.465 4.495 1.00 0.00 H new ATOM 0 HA TYR A 25 17.481 -6.393 7.012 1.00 0.00 H new ATOM 0 HB2 TYR A 25 18.489 -7.499 5.099 1.00 0.00 H new ATOM 0 HB3 TYR A 25 18.519 -6.008 4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 25 20.026 -7.731 7.110 1.00 0.00 H new ATOM 0 HD2 TYR A 25 20.339 -4.455 4.402 1.00 0.00 H new ATOM 0 HE1 TYR A 25 22.280 -7.254 7.936 1.00 0.00 H new ATOM 0 HE2 TYR A 25 22.592 -3.984 5.231 1.00 0.00 H new ATOM 0 HH TYR A 25 24.213 -4.559 6.634 1.00 0.00 H new ATOM 401 N LEU A 26 17.507 -3.562 5.363 1.00 0.00 N ATOM 402 CA LEU A 26 17.741 -2.149 5.477 1.00 0.00 C ATOM 403 C LEU A 26 16.790 -1.567 6.506 1.00 0.00 C ATOM 404 O LEU A 26 17.135 -0.632 7.232 1.00 0.00 O ATOM 405 CB LEU A 26 17.588 -1.464 4.085 1.00 0.00 C ATOM 406 CG LEU A 26 18.108 -0.006 3.928 1.00 0.00 C ATOM 407 CD1 LEU A 26 17.204 1.013 4.616 1.00 0.00 C ATOM 408 CD2 LEU A 26 19.527 0.093 4.467 1.00 0.00 C ATOM 0 H LEU A 26 17.139 -3.855 4.458 1.00 0.00 H new ATOM 0 HA LEU A 26 18.761 -1.965 5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 26 18.102 -2.083 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.530 -1.471 3.824 1.00 0.00 H new ATOM 0 HG LEU A 26 18.101 0.234 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.612 2.014 4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.205 0.964 4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 26 17.148 0.789 5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.888 1.115 4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.536 -0.182 5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.176 -0.584 3.911 1.00 0.00 H new ATOM 420 N ASP A 27 15.599 -2.103 6.573 1.00 0.00 N ATOM 421 CA ASP A 27 14.647 -1.610 7.517 1.00 0.00 C ATOM 422 C ASP A 27 15.015 -1.958 8.936 1.00 0.00 C ATOM 423 O ASP A 27 14.964 -1.105 9.809 1.00 0.00 O ATOM 424 CB ASP A 27 13.235 -2.033 7.235 1.00 0.00 C ATOM 425 CG ASP A 27 12.323 -1.055 7.883 1.00 0.00 C ATOM 426 OD1 ASP A 27 12.374 0.134 7.468 1.00 0.00 O ATOM 427 OD2 ASP A 27 11.601 -1.408 8.818 1.00 0.00 O ATOM 0 H ASP A 27 15.273 -2.873 5.989 1.00 0.00 H new ATOM 0 HA ASP A 27 14.685 -0.527 7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.055 -2.067 6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.054 -3.036 7.621 1.00 0.00 H new ATOM 432 N GLU A 28 15.412 -3.202 9.162 1.00 0.00 N ATOM 433 CA GLU A 28 15.772 -3.646 10.501 1.00 0.00 C ATOM 434 C GLU A 28 17.062 -2.994 10.977 1.00 0.00 C ATOM 435 O GLU A 28 17.183 -2.626 12.149 1.00 0.00 O ATOM 436 CB GLU A 28 15.900 -5.167 10.589 1.00 0.00 C ATOM 437 CG GLU A 28 16.916 -5.763 9.644 1.00 0.00 C ATOM 438 CD GLU A 28 17.302 -7.156 9.996 1.00 0.00 C ATOM 439 OE1 GLU A 28 16.558 -8.096 9.677 1.00 0.00 O ATOM 440 OE2 GLU A 28 18.368 -7.335 10.619 1.00 0.00 O ATOM 0 H GLU A 28 15.493 -3.918 8.440 1.00 0.00 H new ATOM 0 HA GLU A 28 14.957 -3.335 11.155 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.168 -5.438 11.610 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.927 -5.614 10.386 1.00 0.00 H new ATOM 0 HG2 GLU A 28 16.512 -5.750 8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 28 17.808 -5.137 9.639 1.00 0.00 H new ATOM 447 N SER A 29 18.015 -2.858 10.078 1.00 0.00 N ATOM 448 CA SER A 29 19.286 -2.276 10.398 1.00 0.00 C ATOM 449 C SER A 29 19.109 -0.755 10.596 1.00 0.00 C ATOM 450 O SER A 29 19.551 -0.184 11.600 1.00 0.00 O ATOM 451 CB SER A 29 20.281 -2.594 9.262 1.00 0.00 C ATOM 452 OG SER A 29 21.603 -2.216 9.586 1.00 0.00 O ATOM 0 H SER A 29 17.922 -3.151 9.105 1.00 0.00 H new ATOM 0 HA SER A 29 19.683 -2.692 11.324 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.253 -3.662 9.046 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.970 -2.077 8.354 1.00 0.00 H new ATOM 0 HG SER A 29 22.199 -2.437 8.840 1.00 0.00 H new ATOM 458 N ASN A 30 18.413 -0.146 9.635 1.00 0.00 N ATOM 459 CA ASN A 30 18.081 1.280 9.568 1.00 0.00 C ATOM 460 C ASN A 30 19.168 2.242 10.011 1.00 0.00 C ATOM 461 O ASN A 30 19.192 2.703 11.134 1.00 0.00 O ATOM 462 CB ASN A 30 16.681 1.668 10.134 1.00 0.00 C ATOM 463 CG ASN A 30 16.452 1.425 11.633 1.00 0.00 C ATOM 464 OD1 ASN A 30 16.771 2.269 12.467 1.00 0.00 O ATOM 465 ND2 ASN A 30 15.830 0.337 11.965 1.00 0.00 N ATOM 0 H ASN A 30 18.044 -0.663 8.837 1.00 0.00 H new ATOM 0 HA ASN A 30 18.012 1.419 8.489 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.513 2.726 9.931 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.924 1.113 9.580 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.592 0.163 12.942 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.578 -0.345 11.250 1.00 0.00 H new ATOM 472 N ALA A 31 20.065 2.546 9.112 1.00 0.00 N ATOM 473 CA ALA A 31 21.095 3.545 9.363 1.00 0.00 C ATOM 474 C ALA A 31 20.462 4.931 9.449 1.00 0.00 C ATOM 475 O ALA A 31 20.973 5.833 10.089 1.00 0.00 O ATOM 476 CB ALA A 31 22.133 3.504 8.262 1.00 0.00 C ATOM 0 H ALA A 31 20.112 2.117 8.188 1.00 0.00 H new ATOM 0 HA ALA A 31 21.585 3.325 10.311 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.900 4.254 8.457 1.00 0.00 H new ATOM 0 HB2 ALA A 31 22.592 2.516 8.231 1.00 0.00 H new ATOM 0 HB3 ALA A 31 21.656 3.713 7.304 1.00 0.00 H new ATOM 482 N LEU A 32 19.318 5.048 8.815 1.00 0.00 N ATOM 483 CA LEU A 32 18.557 6.282 8.742 1.00 0.00 C ATOM 484 C LEU A 32 17.688 6.478 9.994 1.00 0.00 C ATOM 485 O LEU A 32 17.159 7.562 10.213 1.00 0.00 O ATOM 486 CB LEU A 32 17.644 6.202 7.524 1.00 0.00 C ATOM 487 CG LEU A 32 18.321 6.048 6.162 1.00 0.00 C ATOM 488 CD1 LEU A 32 17.329 5.515 5.160 1.00 0.00 C ATOM 489 CD2 LEU A 32 18.852 7.382 5.675 1.00 0.00 C ATOM 0 H LEU A 32 18.877 4.271 8.323 1.00 0.00 H new ATOM 0 HA LEU A 32 19.250 7.121 8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.966 5.360 7.663 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.032 7.104 7.499 1.00 0.00 H new ATOM 0 HG LEU A 32 19.154 5.353 6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 32 17.814 5.406 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.962 4.544 5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.493 6.209 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 32 19.330 7.251 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.028 8.089 5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.580 7.766 6.389 1.00 0.00 H new ATOM 501 N GLY A 33 17.546 5.421 10.803 1.00 0.00 N ATOM 502 CA GLY A 33 16.670 5.471 11.977 1.00 0.00 C ATOM 503 C GLY A 33 15.208 5.648 11.585 1.00 0.00 C ATOM 504 O GLY A 33 14.503 6.501 12.129 1.00 0.00 O ATOM 0 H GLY A 33 18.022 4.529 10.667 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.783 4.553 12.554 1.00 0.00 H new ATOM 0 HA3 GLY A 33 16.975 6.294 12.623 1.00 0.00 H new ATOM 508 N LYS A 34 14.771 4.865 10.621 1.00 0.00 N ATOM 509 CA LYS A 34 13.426 4.977 10.065 1.00 0.00 C ATOM 510 C LYS A 34 12.887 3.583 9.786 1.00 0.00 C ATOM 511 O LYS A 34 13.686 2.631 9.694 1.00 0.00 O ATOM 512 CB LYS A 34 13.518 5.773 8.733 1.00 0.00 C ATOM 513 CG LYS A 34 14.303 5.041 7.624 1.00 0.00 C ATOM 514 CD LYS A 34 13.398 4.173 6.745 1.00 0.00 C ATOM 515 CE LYS A 34 14.135 2.981 6.158 1.00 0.00 C ATOM 516 NZ LYS A 34 14.352 1.877 7.161 1.00 0.00 N ATOM 0 H LYS A 34 15.335 4.129 10.195 1.00 0.00 H new ATOM 0 HA LYS A 34 12.763 5.487 10.764 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.510 5.982 8.375 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.993 6.735 8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.816 5.774 7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.072 4.416 8.079 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.553 3.820 7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.991 4.780 5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.570 2.591 5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.100 3.310 5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.289 1.451 7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.299 2.267 8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.618 1.150 7.041 1.00 0.00 H new ATOM 530 N LYS A 35 11.590 3.463 9.558 1.00 0.00 N ATOM 531 CA LYS A 35 11.002 2.210 9.110 1.00 0.00 C ATOM 532 C LYS A 35 10.146 2.446 7.874 1.00 0.00 C ATOM 533 O LYS A 35 9.125 3.119 7.928 1.00 0.00 O ATOM 534 CB LYS A 35 10.240 1.479 10.215 1.00 0.00 C ATOM 535 CG LYS A 35 11.129 1.020 11.365 1.00 0.00 C ATOM 536 CD LYS A 35 10.358 0.239 12.417 1.00 0.00 C ATOM 537 CE LYS A 35 9.773 -1.052 11.860 1.00 0.00 C ATOM 538 NZ LYS A 35 10.812 -1.950 11.308 1.00 0.00 N ATOM 0 H LYS A 35 10.920 4.223 9.676 1.00 0.00 H new ATOM 0 HA LYS A 35 11.819 1.541 8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.464 2.137 10.606 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.737 0.612 9.786 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.934 0.399 10.973 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.595 1.889 11.830 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.019 0.006 13.252 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.554 0.860 12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.229 -1.572 12.649 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.051 -0.813 11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.591 -2.934 11.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.837 -1.856 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.739 -1.691 11.702 1.00 0.00 H new ATOM 552 N PHE A 36 10.589 1.894 6.761 1.00 0.00 N ATOM 553 CA PHE A 36 9.952 2.129 5.482 1.00 0.00 C ATOM 554 C PHE A 36 9.061 0.981 5.093 1.00 0.00 C ATOM 555 O PHE A 36 7.935 1.187 4.663 1.00 0.00 O ATOM 556 CB PHE A 36 10.970 2.528 4.349 1.00 0.00 C ATOM 557 CG PHE A 36 11.964 1.492 3.782 1.00 0.00 C ATOM 558 CD1 PHE A 36 12.488 0.443 4.524 1.00 0.00 C ATOM 559 CD2 PHE A 36 12.402 1.627 2.478 1.00 0.00 C ATOM 560 CE1 PHE A 36 13.392 -0.422 3.983 1.00 0.00 C ATOM 561 CE2 PHE A 36 13.318 0.767 1.949 1.00 0.00 C ATOM 562 CZ PHE A 36 13.809 -0.254 2.705 1.00 0.00 C ATOM 0 H PHE A 36 11.397 1.273 6.719 1.00 0.00 H new ATOM 0 HA PHE A 36 9.310 3.002 5.605 1.00 0.00 H new ATOM 0 HB2 PHE A 36 10.385 2.904 3.510 1.00 0.00 H new ATOM 0 HB3 PHE A 36 11.559 3.364 4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.174 0.309 5.549 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.012 2.428 1.867 1.00 0.00 H new ATOM 0 HE1 PHE A 36 13.776 -1.241 4.573 1.00 0.00 H new ATOM 0 HE2 PHE A 36 13.654 0.895 0.931 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.535 -0.933 2.283 1.00 0.00 H new ATOM 572 N ILE A 37 9.541 -0.219 5.289 1.00 0.00 N ATOM 573 CA ILE A 37 8.773 -1.377 5.003 1.00 0.00 C ATOM 574 C ILE A 37 7.785 -1.595 6.132 1.00 0.00 C ATOM 575 O ILE A 37 8.150 -1.948 7.250 1.00 0.00 O ATOM 576 CB ILE A 37 9.690 -2.640 4.705 1.00 0.00 C ATOM 577 CG1 ILE A 37 10.097 -2.708 3.236 1.00 0.00 C ATOM 578 CG2 ILE A 37 9.130 -3.966 5.114 1.00 0.00 C ATOM 579 CD1 ILE A 37 10.506 -4.110 2.790 1.00 0.00 C ATOM 0 H ILE A 37 10.475 -0.409 5.651 1.00 0.00 H new ATOM 0 HA ILE A 37 8.207 -1.229 4.083 1.00 0.00 H new ATOM 0 HB ILE A 37 10.558 -2.468 5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.266 -2.365 2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.926 -2.022 3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.840 -4.754 4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.950 -3.969 6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.191 -4.142 4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.784 -4.090 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.356 -4.447 3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.670 -4.795 2.932 1.00 0.00 H new ATOM 591 N ILE A 38 6.553 -1.271 5.856 1.00 0.00 N ATOM 592 CA ILE A 38 5.509 -1.458 6.814 1.00 0.00 C ATOM 593 C ILE A 38 5.035 -2.867 6.749 1.00 0.00 C ATOM 594 O ILE A 38 5.026 -3.580 7.756 1.00 0.00 O ATOM 595 CB ILE A 38 4.319 -0.490 6.594 1.00 0.00 C ATOM 596 CG1 ILE A 38 4.720 0.947 6.957 1.00 0.00 C ATOM 597 CG2 ILE A 38 3.087 -0.951 7.380 1.00 0.00 C ATOM 598 CD1 ILE A 38 3.608 1.962 6.790 1.00 0.00 C ATOM 0 H ILE A 38 6.249 -0.873 4.967 1.00 0.00 H new ATOM 0 HA ILE A 38 5.919 -1.238 7.800 1.00 0.00 H new ATOM 0 HB ILE A 38 4.052 -0.502 5.537 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.062 0.967 7.992 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.565 1.245 6.336 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.265 -0.255 7.209 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.795 -1.947 7.047 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.324 -0.979 8.444 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.973 2.951 7.067 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.280 1.974 5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.770 1.692 7.432 1.00 0.00 H new ATOM 610 N GLN A 39 4.680 -3.292 5.573 1.00 0.00 N ATOM 611 CA GLN A 39 4.211 -4.609 5.413 1.00 0.00 C ATOM 612 C GLN A 39 4.573 -5.133 4.074 1.00 0.00 C ATOM 613 O GLN A 39 4.597 -4.390 3.078 1.00 0.00 O ATOM 614 CB GLN A 39 2.691 -4.745 5.635 1.00 0.00 C ATOM 615 CG GLN A 39 1.823 -3.966 4.664 1.00 0.00 C ATOM 616 CD GLN A 39 0.350 -4.278 4.836 1.00 0.00 C ATOM 617 OE1 GLN A 39 -0.337 -3.638 5.609 1.00 0.00 O ATOM 618 NE2 GLN A 39 -0.134 -5.294 4.132 1.00 0.00 N ATOM 0 H GLN A 39 4.711 -2.735 4.719 1.00 0.00 H new ATOM 0 HA GLN A 39 4.700 -5.201 6.186 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.424 -5.800 5.570 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.458 -4.418 6.648 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.986 -2.898 4.810 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.125 -4.198 3.643 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.474 -5.807 3.493 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.113 -5.561 4.230 1.00 0.00 H new ATOM 627 N ASP A 40 4.945 -6.356 4.055 1.00 0.00 N ATOM 628 CA ASP A 40 5.097 -7.064 2.850 1.00 0.00 C ATOM 629 C ASP A 40 3.735 -7.552 2.409 1.00 0.00 C ATOM 630 O ASP A 40 2.917 -8.015 3.220 1.00 0.00 O ATOM 631 CB ASP A 40 6.074 -8.249 2.992 1.00 0.00 C ATOM 632 CG ASP A 40 5.644 -9.311 3.991 1.00 0.00 C ATOM 633 OD1 ASP A 40 4.911 -10.250 3.613 1.00 0.00 O ATOM 634 OD2 ASP A 40 6.042 -9.231 5.162 1.00 0.00 O ATOM 0 H ASP A 40 5.155 -6.900 4.892 1.00 0.00 H new ATOM 0 HA ASP A 40 5.524 -6.396 2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.200 -8.718 2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.050 -7.864 3.289 1.00 0.00 H new ATOM 639 N ILE A 41 3.459 -7.363 1.181 1.00 0.00 N ATOM 640 CA ILE A 41 2.272 -7.865 0.574 1.00 0.00 C ATOM 641 C ILE A 41 2.698 -8.862 -0.458 1.00 0.00 C ATOM 642 O ILE A 41 3.103 -8.518 -1.543 1.00 0.00 O ATOM 643 CB ILE A 41 1.326 -6.783 -0.037 1.00 0.00 C ATOM 644 CG1 ILE A 41 2.049 -5.513 -0.509 1.00 0.00 C ATOM 645 CG2 ILE A 41 0.247 -6.404 0.924 1.00 0.00 C ATOM 646 CD1 ILE A 41 2.342 -4.502 0.554 1.00 0.00 C ATOM 0 H ILE A 41 4.061 -6.842 0.543 1.00 0.00 H new ATOM 0 HA ILE A 41 1.661 -8.317 1.355 1.00 0.00 H new ATOM 0 HB ILE A 41 0.896 -7.254 -0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.989 -5.805 -0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.443 -5.037 -1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.395 -5.649 0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.346 -7.285 1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.694 -6.001 1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.853 -3.647 0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.408 -4.171 1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.978 -4.950 1.317 1.00 0.00 H new ATOM 658 N ASP A 42 2.718 -10.078 -0.042 1.00 0.00 N ATOM 659 CA ASP A 42 3.258 -11.191 -0.769 1.00 0.00 C ATOM 660 C ASP A 42 4.789 -11.075 -0.761 1.00 0.00 C ATOM 661 O ASP A 42 5.355 -10.063 -0.289 1.00 0.00 O ATOM 662 CB ASP A 42 2.641 -11.310 -2.210 1.00 0.00 C ATOM 663 CG ASP A 42 3.330 -12.311 -3.099 1.00 0.00 C ATOM 664 OD1 ASP A 42 3.221 -13.531 -2.850 1.00 0.00 O ATOM 665 OD2 ASP A 42 4.035 -11.889 -4.035 1.00 0.00 O ATOM 0 H ASP A 42 2.338 -10.347 0.866 1.00 0.00 H new ATOM 0 HA ASP A 42 2.983 -12.126 -0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.590 -11.584 -2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.676 -10.332 -2.689 1.00 0.00 H new ATOM 670 N ASP A 43 5.453 -12.085 -1.233 1.00 0.00 N ATOM 671 CA ASP A 43 6.900 -12.104 -1.359 1.00 0.00 C ATOM 672 C ASP A 43 7.357 -10.937 -2.256 1.00 0.00 C ATOM 673 O ASP A 43 8.439 -10.359 -2.071 1.00 0.00 O ATOM 674 CB ASP A 43 7.294 -13.443 -1.991 1.00 0.00 C ATOM 675 CG ASP A 43 8.778 -13.656 -2.133 1.00 0.00 C ATOM 676 OD1 ASP A 43 9.443 -14.031 -1.133 1.00 0.00 O ATOM 677 OD2 ASP A 43 9.308 -13.505 -3.235 1.00 0.00 O ATOM 0 H ASP A 43 5.005 -12.944 -1.552 1.00 0.00 H new ATOM 0 HA ASP A 43 7.375 -11.993 -0.384 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.880 -14.251 -1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.834 -13.514 -2.977 1.00 0.00 H new ATOM 682 N THR A 44 6.450 -10.510 -3.120 1.00 0.00 N ATOM 683 CA THR A 44 6.757 -9.536 -4.141 1.00 0.00 C ATOM 684 C THR A 44 6.497 -8.094 -3.715 1.00 0.00 C ATOM 685 O THR A 44 7.358 -7.228 -3.882 1.00 0.00 O ATOM 686 CB THR A 44 5.924 -9.821 -5.401 1.00 0.00 C ATOM 687 OG1 THR A 44 6.067 -11.194 -5.773 1.00 0.00 O ATOM 688 CG2 THR A 44 6.319 -8.901 -6.570 1.00 0.00 C ATOM 0 H THR A 44 5.482 -10.832 -3.129 1.00 0.00 H new ATOM 0 HA THR A 44 7.825 -9.634 -4.333 1.00 0.00 H new ATOM 0 HB THR A 44 4.879 -9.615 -5.168 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.432 -11.739 -5.263 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.706 -9.135 -7.441 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.161 -7.861 -6.284 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.370 -9.054 -6.814 1.00 0.00 H new ATOM 696 N HIS A 45 5.351 -7.828 -3.131 1.00 0.00 N ATOM 697 CA HIS A 45 4.948 -6.444 -2.980 1.00 0.00 C ATOM 698 C HIS A 45 5.402 -5.871 -1.650 1.00 0.00 C ATOM 699 O HIS A 45 5.585 -6.607 -0.656 1.00 0.00 O ATOM 700 CB HIS A 45 3.430 -6.262 -3.212 1.00 0.00 C ATOM 701 CG HIS A 45 2.911 -6.778 -4.512 1.00 0.00 C ATOM 702 ND1 HIS A 45 2.664 -8.051 -4.934 1.00 0.00 N flip ATOM 703 CD2 HIS A 45 2.592 -5.973 -5.553 1.00 0.00 C flip ATOM 704 CE1 HIS A 45 2.218 -7.968 -6.218 1.00 0.00 C flip ATOM 705 NE2 HIS A 45 2.184 -6.706 -6.569 1.00 0.00 N flip ATOM 0 H HIS A 45 4.700 -8.522 -2.764 1.00 0.00 H new ATOM 0 HA HIS A 45 5.453 -5.870 -3.757 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.895 -6.760 -2.404 1.00 0.00 H new ATOM 0 HB3 HIS A 45 3.195 -5.200 -3.143 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.661 -4.895 -5.551 1.00 0.00 H new ATOM 0 HE1 HIS A 45 1.939 -8.803 -6.843 1.00 0.00 H new ATOM 0 HE2 HIS A 45 1.890 -6.350 -7.479 1.00 0.00 H new ATOM 714 N VAL A 46 5.630 -4.588 -1.648 1.00 0.00 N ATOM 715 CA VAL A 46 6.105 -3.855 -0.488 1.00 0.00 C ATOM 716 C VAL A 46 5.190 -2.676 -0.245 1.00 0.00 C ATOM 717 O VAL A 46 4.639 -2.124 -1.201 1.00 0.00 O ATOM 718 CB VAL A 46 7.545 -3.296 -0.740 1.00 0.00 C ATOM 719 CG1 VAL A 46 8.033 -2.477 0.434 1.00 0.00 C ATOM 720 CG2 VAL A 46 8.524 -4.404 -1.029 1.00 0.00 C ATOM 0 H VAL A 46 5.490 -4.000 -2.469 1.00 0.00 H new ATOM 0 HA VAL A 46 6.118 -4.531 0.367 1.00 0.00 H new ATOM 0 HB VAL A 46 7.483 -2.649 -1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.036 -2.104 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.359 -1.636 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.056 -3.100 1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.514 -3.980 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.563 -5.086 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.205 -4.949 -1.918 1.00 0.00 H new ATOM 730 N PHE A 47 4.976 -2.335 1.002 1.00 0.00 N ATOM 731 CA PHE A 47 4.271 -1.142 1.315 1.00 0.00 C ATOM 732 C PHE A 47 5.180 -0.247 2.118 1.00 0.00 C ATOM 733 O PHE A 47 5.740 -0.677 3.145 1.00 0.00 O ATOM 734 CB PHE A 47 3.000 -1.404 2.105 1.00 0.00 C ATOM 735 CG PHE A 47 2.121 -0.224 2.101 1.00 0.00 C ATOM 736 CD1 PHE A 47 1.397 0.075 0.966 1.00 0.00 C ATOM 737 CD2 PHE A 47 2.049 0.616 3.183 1.00 0.00 C ATOM 738 CE1 PHE A 47 0.604 1.181 0.911 1.00 0.00 C ATOM 739 CE2 PHE A 47 1.263 1.737 3.128 1.00 0.00 C ATOM 740 CZ PHE A 47 0.538 2.012 1.991 1.00 0.00 C ATOM 0 H PHE A 47 5.285 -2.876 1.810 1.00 0.00 H new ATOM 0 HA PHE A 47 3.975 -0.671 0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.472 -2.256 1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.254 -1.669 3.131 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.460 -0.578 0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.612 0.394 4.078 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.033 1.398 0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.212 2.404 3.976 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.087 2.892 1.953 1.00 0.00 H new ATOM 750 N VAL A 48 5.331 0.963 1.668 1.00 0.00 N ATOM 751 CA VAL A 48 6.149 1.932 2.337 1.00 0.00 C ATOM 752 C VAL A 48 5.315 3.165 2.648 1.00 0.00 C ATOM 753 O VAL A 48 4.383 3.494 1.912 1.00 0.00 O ATOM 754 CB VAL A 48 7.429 2.299 1.500 1.00 0.00 C ATOM 755 CG1 VAL A 48 7.069 2.809 0.123 1.00 0.00 C ATOM 756 CG2 VAL A 48 8.294 3.324 2.218 1.00 0.00 C ATOM 0 H VAL A 48 4.886 1.309 0.818 1.00 0.00 H new ATOM 0 HA VAL A 48 6.508 1.499 3.271 1.00 0.00 H new ATOM 0 HB VAL A 48 8.001 1.378 1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.980 3.052 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.515 2.040 -0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.452 3.703 0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.169 3.552 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.718 4.235 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.616 2.920 3.178 1.00 0.00 H new ATOM 766 N ILE A 49 5.604 3.809 3.744 1.00 0.00 N ATOM 767 CA ILE A 49 4.886 5.000 4.099 1.00 0.00 C ATOM 768 C ILE A 49 5.526 6.160 3.336 1.00 0.00 C ATOM 769 O ILE A 49 6.756 6.322 3.320 1.00 0.00 O ATOM 770 CB ILE A 49 4.845 5.205 5.656 1.00 0.00 C ATOM 771 CG1 ILE A 49 3.656 6.088 6.147 1.00 0.00 C ATOM 772 CG2 ILE A 49 6.173 5.675 6.244 1.00 0.00 C ATOM 773 CD1 ILE A 49 3.682 7.542 5.741 1.00 0.00 C ATOM 0 H ILE A 49 6.329 3.530 4.405 1.00 0.00 H new ATOM 0 HA ILE A 49 3.837 4.930 3.811 1.00 0.00 H new ATOM 0 HB ILE A 49 4.665 4.204 6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.730 5.648 5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.621 6.039 7.235 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.071 5.796 7.323 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.946 4.936 6.033 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.451 6.629 5.797 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.804 8.048 6.143 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.583 8.013 6.133 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.677 7.616 4.654 1.00 0.00 H new ATOM 785 N ALA A 50 4.697 6.922 2.681 1.00 0.00 N ATOM 786 CA ALA A 50 5.144 7.952 1.773 1.00 0.00 C ATOM 787 C ALA A 50 5.997 9.037 2.427 1.00 0.00 C ATOM 788 O ALA A 50 6.988 9.457 1.863 1.00 0.00 O ATOM 789 CB ALA A 50 3.968 8.563 1.031 1.00 0.00 C ATOM 0 H ALA A 50 3.683 6.849 2.759 1.00 0.00 H new ATOM 0 HA ALA A 50 5.801 7.452 1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.328 9.336 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.456 7.789 0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.275 9.003 1.748 1.00 0.00 H new ATOM 795 N GLU A 51 5.647 9.421 3.635 1.00 0.00 N ATOM 796 CA GLU A 51 6.262 10.557 4.335 1.00 0.00 C ATOM 797 C GLU A 51 7.779 10.461 4.572 1.00 0.00 C ATOM 798 O GLU A 51 8.438 11.491 4.805 1.00 0.00 O ATOM 799 CB GLU A 51 5.523 10.858 5.625 1.00 0.00 C ATOM 800 CG GLU A 51 4.072 11.236 5.403 1.00 0.00 C ATOM 801 CD GLU A 51 3.923 12.403 4.461 1.00 0.00 C ATOM 802 OE1 GLU A 51 3.996 13.562 4.916 1.00 0.00 O ATOM 803 OE2 GLU A 51 3.708 12.175 3.246 1.00 0.00 O ATOM 0 H GLU A 51 4.919 8.955 4.177 1.00 0.00 H new ATOM 0 HA GLU A 51 6.157 11.392 3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.570 9.985 6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.029 11.671 6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.532 10.378 5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.613 11.483 6.360 1.00 0.00 H new ATOM 810 N LEU A 52 8.343 9.272 4.535 1.00 0.00 N ATOM 811 CA LEU A 52 9.773 9.158 4.744 1.00 0.00 C ATOM 812 C LEU A 52 10.499 8.626 3.516 1.00 0.00 C ATOM 813 O LEU A 52 11.710 8.475 3.528 1.00 0.00 O ATOM 814 CB LEU A 52 10.109 8.363 6.041 1.00 0.00 C ATOM 815 CG LEU A 52 9.646 6.889 6.163 1.00 0.00 C ATOM 816 CD1 LEU A 52 10.473 5.951 5.311 1.00 0.00 C ATOM 817 CD2 LEU A 52 9.653 6.451 7.618 1.00 0.00 C ATOM 0 H LEU A 52 7.852 8.394 4.367 1.00 0.00 H new ATOM 0 HA LEU A 52 10.153 10.168 4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 52 11.192 8.379 6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.684 8.911 6.882 1.00 0.00 H new ATOM 0 HG LEU A 52 8.625 6.837 5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.108 4.931 5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.391 6.243 4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.517 6.002 5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.325 5.414 7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.662 6.541 8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.976 7.084 8.192 1.00 0.00 H new ATOM 829 N VAL A 53 9.773 8.394 2.434 1.00 0.00 N ATOM 830 CA VAL A 53 10.389 7.840 1.229 1.00 0.00 C ATOM 831 C VAL A 53 11.381 8.827 0.624 1.00 0.00 C ATOM 832 O VAL A 53 12.325 8.429 -0.017 1.00 0.00 O ATOM 833 CB VAL A 53 9.378 7.290 0.166 1.00 0.00 C ATOM 834 CG1 VAL A 53 8.664 8.392 -0.575 1.00 0.00 C ATOM 835 CG2 VAL A 53 10.056 6.325 -0.804 1.00 0.00 C ATOM 0 H VAL A 53 8.772 8.576 2.360 1.00 0.00 H new ATOM 0 HA VAL A 53 10.934 6.955 1.558 1.00 0.00 H new ATOM 0 HB VAL A 53 8.619 6.736 0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.976 7.957 -1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.106 9.005 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.394 9.013 -1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.325 5.963 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 53 10.860 6.841 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 53 10.467 5.481 -0.250 1.00 0.00 H new ATOM 845 N ASN A 54 11.145 10.121 0.827 1.00 0.00 N ATOM 846 CA ASN A 54 12.053 11.168 0.338 1.00 0.00 C ATOM 847 C ASN A 54 13.497 10.918 0.808 1.00 0.00 C ATOM 848 O ASN A 54 14.445 11.133 0.046 1.00 0.00 O ATOM 849 CB ASN A 54 11.589 12.565 0.778 1.00 0.00 C ATOM 850 CG ASN A 54 12.472 13.693 0.250 1.00 0.00 C ATOM 851 OD1 ASN A 54 13.062 13.601 -0.830 1.00 0.00 O ATOM 852 ND2 ASN A 54 12.572 14.751 1.001 1.00 0.00 N ATOM 0 H ASN A 54 10.331 10.476 1.328 1.00 0.00 H new ATOM 0 HA ASN A 54 12.031 11.127 -0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.566 12.724 0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.571 12.607 1.867 1.00 0.00 H new ATOM 0 HD21 ASN A 54 13.151 15.536 0.702 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.071 14.796 1.888 1.00 0.00 H new ATOM 859 N VAL A 55 13.666 10.375 2.032 1.00 0.00 N ATOM 860 CA VAL A 55 15.016 10.097 2.522 1.00 0.00 C ATOM 861 C VAL A 55 15.593 8.940 1.755 1.00 0.00 C ATOM 862 O VAL A 55 16.764 8.887 1.474 1.00 0.00 O ATOM 863 CB VAL A 55 15.131 9.850 4.060 1.00 0.00 C ATOM 864 CG1 VAL A 55 14.510 10.970 4.828 1.00 0.00 C ATOM 865 CG2 VAL A 55 14.571 8.511 4.521 1.00 0.00 C ATOM 0 H VAL A 55 12.910 10.131 2.672 1.00 0.00 H new ATOM 0 HA VAL A 55 15.590 11.007 2.350 1.00 0.00 H new ATOM 0 HB VAL A 55 16.200 9.814 4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.603 10.774 5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 55 15.018 11.903 4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.455 11.051 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 55 14.690 8.419 5.601 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.513 8.452 4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.109 7.702 4.027 1.00 0.00 H new ATOM 875 N LEU A 56 14.733 8.040 1.412 1.00 0.00 N ATOM 876 CA LEU A 56 15.067 6.888 0.626 1.00 0.00 C ATOM 877 C LEU A 56 15.438 7.250 -0.795 1.00 0.00 C ATOM 878 O LEU A 56 16.317 6.647 -1.364 1.00 0.00 O ATOM 879 CB LEU A 56 13.937 5.863 0.658 1.00 0.00 C ATOM 880 CG LEU A 56 14.082 4.722 1.658 1.00 0.00 C ATOM 881 CD1 LEU A 56 15.198 3.834 1.218 1.00 0.00 C ATOM 882 CD2 LEU A 56 14.391 5.223 3.047 1.00 0.00 C ATOM 0 H LEU A 56 13.749 8.082 1.676 1.00 0.00 H new ATOM 0 HA LEU A 56 15.952 6.437 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.006 6.388 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.838 5.433 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 56 13.134 4.185 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.311 3.013 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.975 3.432 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 56 16.124 4.407 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.486 4.376 3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.326 5.783 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.585 5.873 3.387 1.00 0.00 H new ATOM 894 N GLN A 57 14.781 8.250 -1.358 1.00 0.00 N ATOM 895 CA GLN A 57 15.067 8.669 -2.729 1.00 0.00 C ATOM 896 C GLN A 57 16.488 9.178 -2.815 1.00 0.00 C ATOM 897 O GLN A 57 17.248 8.787 -3.716 1.00 0.00 O ATOM 898 CB GLN A 57 14.093 9.747 -3.208 1.00 0.00 C ATOM 899 CG GLN A 57 12.618 9.491 -2.894 1.00 0.00 C ATOM 900 CD GLN A 57 11.942 8.290 -3.565 1.00 0.00 C ATOM 901 OE1 GLN A 57 12.640 7.204 -3.750 1.00 0.00 O flip ATOM 902 NE2 GLN A 57 10.750 8.335 -3.847 1.00 0.00 N flip ATOM 0 H GLN A 57 14.049 8.787 -0.894 1.00 0.00 H new ATOM 0 HA GLN A 57 14.944 7.804 -3.380 1.00 0.00 H new ATOM 0 HB2 GLN A 57 14.382 10.698 -2.760 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.203 9.857 -4.287 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.521 9.370 -1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.058 10.386 -3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.222 9.194 -3.695 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.286 7.513 -4.234 1.00 0.00 H new ATOM 1237 N VAL B 5 7.114 -3.764 -12.707 1.00 0.00 N ATOM 1238 CA VAL B 5 7.442 -2.624 -11.879 1.00 0.00 C ATOM 1239 C VAL B 5 6.310 -1.575 -11.774 1.00 0.00 C ATOM 1240 O VAL B 5 6.089 -0.738 -12.659 1.00 0.00 O ATOM 1241 CB VAL B 5 8.829 -2.009 -12.225 1.00 0.00 C ATOM 1242 CG1 VAL B 5 8.881 -1.404 -13.613 1.00 0.00 C ATOM 1243 CG2 VAL B 5 9.267 -1.022 -11.166 1.00 0.00 C ATOM 0 HA VAL B 5 7.536 -3.021 -10.868 1.00 0.00 H new ATOM 0 HB VAL B 5 9.542 -2.834 -12.233 1.00 0.00 H new ATOM 0 HG11 VAL B 5 9.874 -0.992 -13.793 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.668 -2.174 -14.354 1.00 0.00 H new ATOM 0 HG13 VAL B 5 8.139 -0.609 -13.692 1.00 0.00 H new ATOM 0 HG21 VAL B 5 10.239 -0.608 -11.434 1.00 0.00 H new ATOM 0 HG22 VAL B 5 8.537 -0.216 -11.095 1.00 0.00 H new ATOM 0 HG23 VAL B 5 9.341 -1.529 -10.204 1.00 0.00 H new ATOM 1253 N ASN B 6 5.574 -1.699 -10.706 1.00 0.00 N ATOM 1254 CA ASN B 6 4.471 -0.845 -10.382 1.00 0.00 C ATOM 1255 C ASN B 6 4.595 -0.398 -8.979 1.00 0.00 C ATOM 1256 O ASN B 6 4.337 -1.137 -8.027 1.00 0.00 O ATOM 1257 CB ASN B 6 3.113 -1.527 -10.573 1.00 0.00 C ATOM 1258 CG ASN B 6 2.693 -1.639 -11.999 1.00 0.00 C ATOM 1259 OD1 ASN B 6 2.022 -0.764 -12.541 1.00 0.00 O ATOM 1260 ND2 ASN B 6 3.048 -2.705 -12.613 1.00 0.00 N ATOM 0 H ASN B 6 5.734 -2.428 -10.011 1.00 0.00 H new ATOM 0 HA ASN B 6 4.508 0.002 -11.068 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.153 -2.525 -10.136 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.355 -0.968 -10.023 1.00 0.00 H new ATOM 0 HD21 ASN B 6 2.774 -2.849 -13.585 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.605 -3.410 -12.130 1.00 0.00 H new ATOM 1267 N VAL B 7 5.041 0.754 -8.850 1.00 0.00 N ATOM 1268 CA VAL B 7 5.142 1.394 -7.591 1.00 0.00 C ATOM 1269 C VAL B 7 4.207 2.578 -7.646 1.00 0.00 C ATOM 1270 O VAL B 7 4.304 3.416 -8.544 1.00 0.00 O ATOM 1271 CB VAL B 7 6.625 1.757 -7.229 1.00 0.00 C ATOM 1272 CG1 VAL B 7 7.383 2.300 -8.429 1.00 0.00 C ATOM 1273 CG2 VAL B 7 6.693 2.761 -6.100 1.00 0.00 C ATOM 0 H VAL B 7 5.366 1.323 -9.632 1.00 0.00 H new ATOM 0 HA VAL B 7 4.844 0.734 -6.777 1.00 0.00 H new ATOM 0 HB VAL B 7 7.097 0.829 -6.907 1.00 0.00 H new ATOM 0 HG11 VAL B 7 8.405 2.539 -8.136 1.00 0.00 H new ATOM 0 HG12 VAL B 7 7.398 1.550 -9.220 1.00 0.00 H new ATOM 0 HG13 VAL B 7 6.890 3.201 -8.793 1.00 0.00 H new ATOM 0 HG21 VAL B 7 7.736 2.988 -5.877 1.00 0.00 H new ATOM 0 HG22 VAL B 7 6.178 3.675 -6.394 1.00 0.00 H new ATOM 0 HG23 VAL B 7 6.215 2.344 -5.213 1.00 0.00 H new ATOM 1283 N LEU B 8 3.324 2.660 -6.709 1.00 0.00 N ATOM 1284 CA LEU B 8 2.191 3.492 -6.898 1.00 0.00 C ATOM 1285 C LEU B 8 1.720 4.149 -5.589 1.00 0.00 C ATOM 1286 O LEU B 8 1.800 3.547 -4.535 1.00 0.00 O ATOM 1287 CB LEU B 8 1.156 2.546 -7.475 1.00 0.00 C ATOM 1288 CG LEU B 8 -0.099 3.105 -8.034 1.00 0.00 C ATOM 1289 CD1 LEU B 8 0.208 4.105 -9.126 1.00 0.00 C ATOM 1290 CD2 LEU B 8 -0.912 1.979 -8.592 1.00 0.00 C ATOM 0 H LEU B 8 3.365 2.167 -5.817 1.00 0.00 H new ATOM 0 HA LEU B 8 2.397 4.340 -7.551 1.00 0.00 H new ATOM 0 HB2 LEU B 8 1.640 1.971 -8.264 1.00 0.00 H new ATOM 0 HB3 LEU B 8 0.881 1.841 -6.690 1.00 0.00 H new ATOM 0 HG LEU B 8 -0.653 3.617 -7.248 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -0.724 4.505 -9.525 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.807 4.919 -8.716 1.00 0.00 H new ATOM 0 HD13 LEU B 8 0.763 3.613 -9.925 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.840 2.371 -9.008 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -0.347 1.476 -9.377 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -1.142 1.268 -7.798 1.00 0.00 H new ATOM 1302 N LYS B 9 1.239 5.381 -5.681 1.00 0.00 N ATOM 1303 CA LYS B 9 0.783 6.155 -4.513 1.00 0.00 C ATOM 1304 C LYS B 9 -0.725 5.971 -4.298 1.00 0.00 C ATOM 1305 O LYS B 9 -1.505 6.097 -5.251 1.00 0.00 O ATOM 1306 CB LYS B 9 1.032 7.638 -4.756 1.00 0.00 C ATOM 1307 CG LYS B 9 0.679 8.523 -3.569 1.00 0.00 C ATOM 1308 CD LYS B 9 0.552 9.973 -3.977 1.00 0.00 C ATOM 1309 CE LYS B 9 0.307 10.860 -2.770 1.00 0.00 C ATOM 1310 NZ LYS B 9 0.130 12.284 -3.141 1.00 0.00 N ATOM 0 H LYS B 9 1.150 5.881 -6.565 1.00 0.00 H new ATOM 0 HA LYS B 9 1.331 5.802 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS B 9 2.083 7.784 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS B 9 0.451 7.957 -5.621 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -0.259 8.185 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS B 9 1.446 8.426 -2.801 1.00 0.00 H new ATOM 0 HD2 LYS B 9 1.461 10.291 -4.488 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -0.268 10.084 -4.686 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -0.581 10.512 -2.241 1.00 0.00 H new ATOM 0 HE3 LYS B 9 1.145 10.769 -2.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -0.034 12.848 -2.283 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 0.986 12.626 -3.622 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -0.686 12.378 -3.779 1.00 0.00 H new ATOM 1324 N GLY B 10 -1.140 5.704 -3.066 1.00 0.00 N ATOM 1325 CA GLY B 10 -2.543 5.524 -2.785 1.00 0.00 C ATOM 1326 C GLY B 10 -2.788 4.679 -1.554 1.00 0.00 C ATOM 1327 O GLY B 10 -1.950 4.633 -0.637 1.00 0.00 O ATOM 0 H GLY B 10 -0.525 5.610 -2.258 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -3.010 6.499 -2.650 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -3.024 5.056 -3.644 1.00 0.00 H new ATOM 1331 N VAL B 11 -3.930 4.028 -1.525 1.00 0.00 N ATOM 1332 CA VAL B 11 -4.331 3.182 -0.431 1.00 0.00 C ATOM 1333 C VAL B 11 -4.311 1.730 -0.860 1.00 0.00 C ATOM 1334 O VAL B 11 -4.728 1.373 -1.970 1.00 0.00 O ATOM 1335 CB VAL B 11 -5.752 3.542 0.118 1.00 0.00 C ATOM 1336 CG1 VAL B 11 -6.101 2.734 1.357 1.00 0.00 C ATOM 1337 CG2 VAL B 11 -5.851 5.006 0.432 1.00 0.00 C ATOM 0 H VAL B 11 -4.617 4.075 -2.278 1.00 0.00 H new ATOM 0 HA VAL B 11 -3.615 3.346 0.374 1.00 0.00 H new ATOM 0 HB VAL B 11 -6.466 3.293 -0.667 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -7.095 3.014 1.706 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -6.088 1.671 1.114 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -5.371 2.936 2.141 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -6.848 5.230 0.812 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -5.108 5.267 1.186 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -5.669 5.585 -0.473 1.00 0.00 H new ATOM 1347 N LEU B 12 -3.831 0.934 0.022 1.00 0.00 N ATOM 1348 CA LEU B 12 -3.704 -0.481 -0.126 1.00 0.00 C ATOM 1349 C LEU B 12 -4.768 -1.136 0.739 1.00 0.00 C ATOM 1350 O LEU B 12 -4.743 -0.990 1.956 1.00 0.00 O ATOM 1351 CB LEU B 12 -2.327 -0.894 0.404 1.00 0.00 C ATOM 1352 CG LEU B 12 -2.044 -2.390 0.511 1.00 0.00 C ATOM 1353 CD1 LEU B 12 -1.843 -3.003 -0.844 1.00 0.00 C ATOM 1354 CD2 LEU B 12 -0.856 -2.649 1.407 1.00 0.00 C ATOM 0 H LEU B 12 -3.493 1.267 0.925 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.816 -0.778 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -1.569 -0.452 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.199 -0.454 1.393 1.00 0.00 H new ATOM 0 HG LEU B 12 -2.916 -2.865 0.961 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.643 -4.069 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -2.742 -2.862 -1.444 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -0.998 -2.524 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -0.673 -3.722 1.468 1.00 0.00 H new ATOM 0 HD22 LEU B 12 0.024 -2.154 0.997 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -1.060 -2.258 2.404 1.00 0.00 H new ATOM 1366 N ILE B 13 -5.694 -1.820 0.138 1.00 0.00 N ATOM 1367 CA ILE B 13 -6.742 -2.483 0.894 1.00 0.00 C ATOM 1368 C ILE B 13 -6.550 -3.980 0.819 1.00 0.00 C ATOM 1369 O ILE B 13 -6.178 -4.481 -0.221 1.00 0.00 O ATOM 1370 CB ILE B 13 -8.157 -2.292 0.248 1.00 0.00 C ATOM 1371 CG1 ILE B 13 -8.474 -0.873 -0.187 1.00 0.00 C ATOM 1372 CG2 ILE B 13 -9.275 -2.820 1.154 1.00 0.00 C ATOM 1373 CD1 ILE B 13 -8.481 0.160 0.904 1.00 0.00 C ATOM 0 H ILE B 13 -5.755 -1.940 -0.873 1.00 0.00 H new ATOM 0 HA ILE B 13 -6.687 -2.062 1.898 1.00 0.00 H new ATOM 0 HB ILE B 13 -8.112 -2.888 -0.663 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -7.746 -0.573 -0.941 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -9.451 -0.871 -0.670 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -10.239 -2.668 0.669 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -9.124 -3.884 1.336 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -9.258 -2.284 2.103 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -8.719 1.136 0.480 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -9.231 -0.104 1.650 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -7.499 0.199 1.375 1.00 0.00 H new ATOM 1385 N GLU B 14 -6.705 -4.665 1.912 1.00 0.00 N ATOM 1386 CA GLU B 14 -7.080 -6.053 1.838 1.00 0.00 C ATOM 1387 C GLU B 14 -8.080 -6.252 2.895 1.00 0.00 C ATOM 1388 O GLU B 14 -7.862 -5.890 4.057 1.00 0.00 O ATOM 1389 CB GLU B 14 -5.972 -7.124 1.957 1.00 0.00 C ATOM 1390 CG GLU B 14 -5.435 -7.381 3.354 1.00 0.00 C ATOM 1391 CD GLU B 14 -4.383 -8.459 3.441 1.00 0.00 C ATOM 1392 OE1 GLU B 14 -4.162 -9.191 2.462 1.00 0.00 O ATOM 1393 OE2 GLU B 14 -3.703 -8.524 4.460 1.00 0.00 O ATOM 0 H GLU B 14 -6.581 -4.296 2.855 1.00 0.00 H new ATOM 0 HA GLU B 14 -7.436 -6.216 0.821 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -6.359 -8.063 1.561 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -5.139 -6.828 1.319 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -5.017 -6.453 3.743 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -6.267 -7.652 4.003 1.00 0.00 H new ATOM 1400 N CYS B 15 -9.177 -6.664 2.496 1.00 0.00 N ATOM 1401 CA CYS B 15 -10.189 -7.029 3.386 1.00 0.00 C ATOM 1402 C CYS B 15 -10.592 -8.398 2.937 1.00 0.00 C ATOM 1403 O CYS B 15 -9.782 -9.120 2.349 1.00 0.00 O ATOM 1404 CB CYS B 15 -11.345 -6.051 3.238 1.00 0.00 C ATOM 1405 SG CYS B 15 -12.499 -6.012 4.640 1.00 0.00 S ATOM 0 H CYS B 15 -9.423 -6.767 1.512 1.00 0.00 H new ATOM 0 HA CYS B 15 -9.881 -7.018 4.432 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -10.939 -5.050 3.093 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -11.901 -6.303 2.335 1.00 0.00 H new ATOM 0 HG CYS B 15 -13.550 -6.723 4.357 1.00 0.00 H new ATOM 1411 N ASP B 16 -11.775 -8.775 3.218 1.00 0.00 N ATOM 1412 CA ASP B 16 -12.319 -9.986 2.702 1.00 0.00 C ATOM 1413 C ASP B 16 -12.459 -9.869 1.175 1.00 0.00 C ATOM 1414 O ASP B 16 -12.809 -8.798 0.663 1.00 0.00 O ATOM 1415 CB ASP B 16 -13.661 -10.262 3.368 1.00 0.00 C ATOM 1416 CG ASP B 16 -14.595 -9.054 3.365 1.00 0.00 C ATOM 1417 OD1 ASP B 16 -14.437 -8.158 4.244 1.00 0.00 O ATOM 1418 OD2 ASP B 16 -15.498 -8.977 2.524 1.00 0.00 O ATOM 0 H ASP B 16 -12.410 -8.252 3.820 1.00 0.00 H new ATOM 0 HA ASP B 16 -11.656 -10.823 2.919 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -14.149 -11.092 2.856 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -13.490 -10.578 4.397 1.00 0.00 H new ATOM 1423 N PRO B 17 -12.127 -10.945 0.419 1.00 0.00 N ATOM 1424 CA PRO B 17 -12.227 -10.979 -1.069 1.00 0.00 C ATOM 1425 C PRO B 17 -13.628 -10.649 -1.569 1.00 0.00 C ATOM 1426 O PRO B 17 -13.818 -10.237 -2.714 1.00 0.00 O ATOM 1427 CB PRO B 17 -11.859 -12.419 -1.397 1.00 0.00 C ATOM 1428 CG PRO B 17 -10.936 -12.776 -0.301 1.00 0.00 C ATOM 1429 CD PRO B 17 -11.559 -12.205 0.926 1.00 0.00 C ATOM 0 HA PRO B 17 -11.586 -10.237 -1.545 1.00 0.00 H new ATOM 0 HB2 PRO B 17 -12.735 -13.067 -1.415 1.00 0.00 H new ATOM 0 HB3 PRO B 17 -11.380 -12.502 -2.373 1.00 0.00 H new ATOM 0 HG2 PRO B 17 -10.820 -13.857 -0.219 1.00 0.00 H new ATOM 0 HG3 PRO B 17 -9.943 -12.360 -0.470 1.00 0.00 H new ATOM 0 HD2 PRO B 17 -12.325 -12.862 1.339 1.00 0.00 H new ATOM 0 HD3 PRO B 17 -10.826 -12.035 1.715 1.00 0.00 H new ATOM 1437 N ALA B 18 -14.573 -10.809 -0.693 1.00 0.00 N ATOM 1438 CA ALA B 18 -15.954 -10.462 -0.898 1.00 0.00 C ATOM 1439 C ALA B 18 -16.072 -8.952 -1.175 1.00 0.00 C ATOM 1440 O ALA B 18 -16.760 -8.512 -2.128 1.00 0.00 O ATOM 1441 CB ALA B 18 -16.653 -10.804 0.368 1.00 0.00 C ATOM 0 H ALA B 18 -14.397 -11.204 0.231 1.00 0.00 H new ATOM 0 HA ALA B 18 -16.384 -10.993 -1.747 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -17.712 -10.562 0.276 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -16.540 -11.869 0.570 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -16.220 -10.232 1.189 1.00 0.00 H new ATOM 1447 N MET B 19 -15.380 -8.162 -0.354 1.00 0.00 N ATOM 1448 CA MET B 19 -15.293 -6.719 -0.547 1.00 0.00 C ATOM 1449 C MET B 19 -14.614 -6.428 -1.864 1.00 0.00 C ATOM 1450 O MET B 19 -15.015 -5.526 -2.604 1.00 0.00 O ATOM 1451 CB MET B 19 -14.525 -6.030 0.605 1.00 0.00 C ATOM 1452 CG MET B 19 -14.197 -4.554 0.325 1.00 0.00 C ATOM 1453 SD MET B 19 -13.390 -3.696 1.691 1.00 0.00 S ATOM 1454 CE MET B 19 -14.678 -3.749 2.936 1.00 0.00 C ATOM 0 H MET B 19 -14.867 -8.504 0.459 1.00 0.00 H new ATOM 0 HA MET B 19 -16.306 -6.318 -0.553 1.00 0.00 H new ATOM 0 HB2 MET B 19 -15.118 -6.096 1.517 1.00 0.00 H new ATOM 0 HB3 MET B 19 -13.597 -6.572 0.788 1.00 0.00 H new ATOM 0 HG2 MET B 19 -13.554 -4.498 -0.553 1.00 0.00 H new ATOM 0 HG3 MET B 19 -15.120 -4.030 0.078 1.00 0.00 H new ATOM 0 HE1 MET B 19 -14.401 -3.108 3.773 1.00 0.00 H new ATOM 0 HE2 MET B 19 -15.616 -3.398 2.505 1.00 0.00 H new ATOM 0 HE3 MET B 19 -14.802 -4.773 3.288 1.00 0.00 H new ATOM 1464 N LYS B 20 -13.613 -7.229 -2.169 1.00 0.00 N ATOM 1465 CA LYS B 20 -12.865 -7.089 -3.390 1.00 0.00 C ATOM 1466 C LYS B 20 -13.818 -7.316 -4.585 1.00 0.00 C ATOM 1467 O LYS B 20 -13.749 -6.603 -5.573 1.00 0.00 O ATOM 1468 CB LYS B 20 -11.663 -8.083 -3.385 1.00 0.00 C ATOM 1469 CG LYS B 20 -10.354 -7.595 -4.055 1.00 0.00 C ATOM 1470 CD LYS B 20 -10.148 -8.010 -5.529 1.00 0.00 C ATOM 1471 CE LYS B 20 -11.146 -7.447 -6.463 1.00 0.00 C ATOM 1472 NZ LYS B 20 -11.064 -5.975 -6.539 1.00 0.00 N ATOM 0 H LYS B 20 -13.299 -7.995 -1.573 1.00 0.00 H new ATOM 0 HA LYS B 20 -12.448 -6.086 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -11.440 -8.342 -2.350 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -11.978 -9.001 -3.882 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -10.325 -6.507 -3.998 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -9.511 -7.968 -3.473 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -9.153 -7.698 -5.847 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -10.177 -9.098 -5.596 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -10.993 -7.870 -7.456 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -12.147 -7.738 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -11.844 -5.614 -7.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -11.134 -5.574 -5.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -10.156 -5.699 -6.964 1.00 0.00 H new ATOM 1486 N GLN B 21 -14.721 -8.264 -4.462 1.00 0.00 N ATOM 1487 CA GLN B 21 -15.689 -8.536 -5.525 1.00 0.00 C ATOM 1488 C GLN B 21 -16.586 -7.332 -5.832 1.00 0.00 C ATOM 1489 O GLN B 21 -16.770 -6.993 -6.993 1.00 0.00 O ATOM 1490 CB GLN B 21 -16.520 -9.787 -5.267 1.00 0.00 C ATOM 1491 CG GLN B 21 -15.710 -11.070 -5.136 1.00 0.00 C ATOM 1492 CD GLN B 21 -14.764 -11.337 -6.291 1.00 0.00 C ATOM 1493 OE1 GLN B 21 -15.140 -11.925 -7.305 1.00 0.00 O ATOM 1494 NE2 GLN B 21 -13.517 -10.986 -6.107 1.00 0.00 N ATOM 0 H GLN B 21 -14.813 -8.863 -3.642 1.00 0.00 H new ATOM 0 HA GLN B 21 -15.089 -8.729 -6.414 1.00 0.00 H new ATOM 0 HB2 GLN B 21 -17.097 -9.642 -4.354 1.00 0.00 H new ATOM 0 HB3 GLN B 21 -17.236 -9.906 -6.080 1.00 0.00 H new ATOM 0 HG2 GLN B 21 -15.133 -11.028 -4.212 1.00 0.00 H new ATOM 0 HG3 GLN B 21 -16.397 -11.911 -5.044 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -13.245 -10.500 -5.253 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -12.817 -11.199 -6.818 1.00 0.00 H new ATOM 1503 N PHE B 22 -17.122 -6.651 -4.813 1.00 0.00 N ATOM 1504 CA PHE B 22 -17.934 -5.458 -5.122 1.00 0.00 C ATOM 1505 C PHE B 22 -17.058 -4.340 -5.694 1.00 0.00 C ATOM 1506 O PHE B 22 -17.477 -3.591 -6.544 1.00 0.00 O ATOM 1507 CB PHE B 22 -18.892 -4.969 -3.988 1.00 0.00 C ATOM 1508 CG PHE B 22 -18.296 -4.248 -2.798 1.00 0.00 C ATOM 1509 CD1 PHE B 22 -17.944 -2.903 -2.882 1.00 0.00 C ATOM 1510 CD2 PHE B 22 -18.146 -4.890 -1.589 1.00 0.00 C ATOM 1511 CE1 PHE B 22 -17.449 -2.228 -1.787 1.00 0.00 C ATOM 1512 CE2 PHE B 22 -17.645 -4.220 -0.489 1.00 0.00 C ATOM 1513 CZ PHE B 22 -17.297 -2.887 -0.589 1.00 0.00 C ATOM 0 H PHE B 22 -17.022 -6.881 -3.824 1.00 0.00 H new ATOM 0 HA PHE B 22 -18.634 -5.780 -5.893 1.00 0.00 H new ATOM 0 HB2 PHE B 22 -19.630 -4.307 -4.441 1.00 0.00 H new ATOM 0 HB3 PHE B 22 -19.431 -5.838 -3.612 1.00 0.00 H new ATOM 0 HD1 PHE B 22 -18.061 -2.381 -3.820 1.00 0.00 H new ATOM 0 HD2 PHE B 22 -18.423 -5.930 -1.499 1.00 0.00 H new ATOM 0 HE1 PHE B 22 -17.181 -1.185 -1.869 1.00 0.00 H new ATOM 0 HE2 PHE B 22 -17.525 -4.739 0.450 1.00 0.00 H new ATOM 0 HZ PHE B 22 -16.907 -2.363 0.271 1.00 0.00 H new ATOM 1523 N LEU B 23 -15.836 -4.270 -5.206 1.00 0.00 N ATOM 1524 CA LEU B 23 -14.825 -3.339 -5.616 1.00 0.00 C ATOM 1525 C LEU B 23 -14.528 -3.513 -7.125 1.00 0.00 C ATOM 1526 O LEU B 23 -14.496 -2.538 -7.862 1.00 0.00 O ATOM 1527 CB LEU B 23 -13.588 -3.699 -4.771 1.00 0.00 C ATOM 1528 CG LEU B 23 -12.608 -2.634 -4.373 1.00 0.00 C ATOM 1529 CD1 LEU B 23 -12.071 -1.902 -5.550 1.00 0.00 C ATOM 1530 CD2 LEU B 23 -13.189 -1.717 -3.310 1.00 0.00 C ATOM 0 H LEU B 23 -15.512 -4.900 -4.472 1.00 0.00 H new ATOM 0 HA LEU B 23 -15.127 -2.302 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -13.948 -4.166 -3.854 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -13.033 -4.460 -5.319 1.00 0.00 H new ATOM 0 HG LEU B 23 -11.749 -3.127 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -11.366 -1.141 -5.215 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -11.562 -2.602 -6.212 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -12.891 -1.425 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -12.454 -0.957 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -14.086 -1.234 -3.697 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -13.444 -2.301 -2.425 1.00 0.00 H new ATOM 1542 N LEU B 24 -14.339 -4.742 -7.580 1.00 0.00 N ATOM 1543 CA LEU B 24 -14.065 -4.963 -8.995 1.00 0.00 C ATOM 1544 C LEU B 24 -15.296 -4.620 -9.845 1.00 0.00 C ATOM 1545 O LEU B 24 -15.197 -4.019 -10.921 1.00 0.00 O ATOM 1546 CB LEU B 24 -13.559 -6.396 -9.258 1.00 0.00 C ATOM 1547 CG LEU B 24 -14.442 -7.570 -8.836 1.00 0.00 C ATOM 1548 CD1 LEU B 24 -15.456 -7.978 -9.881 1.00 0.00 C ATOM 1549 CD2 LEU B 24 -13.602 -8.718 -8.445 1.00 0.00 C ATOM 0 H LEU B 24 -14.369 -5.585 -7.007 1.00 0.00 H new ATOM 0 HA LEU B 24 -13.261 -4.290 -9.294 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -13.371 -6.490 -10.328 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -12.598 -6.506 -8.755 1.00 0.00 H new ATOM 0 HG LEU B 24 -15.023 -7.229 -7.980 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -16.045 -8.817 -9.509 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -16.116 -7.138 -10.095 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -14.939 -8.274 -10.794 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -14.239 -9.550 -8.146 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -12.983 -9.021 -9.290 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -12.962 -8.433 -7.610 1.00 0.00 H new ATOM 1561 N TYR B 25 -16.459 -4.964 -9.298 1.00 0.00 N ATOM 1562 CA TYR B 25 -17.737 -4.765 -9.947 1.00 0.00 C ATOM 1563 C TYR B 25 -18.033 -3.280 -10.093 1.00 0.00 C ATOM 1564 O TYR B 25 -18.526 -2.836 -11.117 1.00 0.00 O ATOM 1565 CB TYR B 25 -18.837 -5.455 -9.116 1.00 0.00 C ATOM 1566 CG TYR B 25 -20.224 -5.456 -9.731 1.00 0.00 C ATOM 1567 CD1 TYR B 25 -21.129 -4.426 -9.479 1.00 0.00 C ATOM 1568 CD2 TYR B 25 -20.634 -6.501 -10.544 1.00 0.00 C ATOM 1569 CE1 TYR B 25 -22.396 -4.447 -10.025 1.00 0.00 C ATOM 1570 CE2 TYR B 25 -21.898 -6.524 -11.093 1.00 0.00 C ATOM 1571 CZ TYR B 25 -22.774 -5.498 -10.832 1.00 0.00 C ATOM 1572 OH TYR B 25 -24.045 -5.531 -11.369 1.00 0.00 O ATOM 0 H TYR B 25 -16.533 -5.395 -8.377 1.00 0.00 H new ATOM 0 HA TYR B 25 -17.709 -5.203 -10.945 1.00 0.00 H new ATOM 0 HB2 TYR B 25 -18.538 -6.488 -8.938 1.00 0.00 H new ATOM 0 HB3 TYR B 25 -18.892 -4.967 -8.143 1.00 0.00 H new ATOM 0 HD1 TYR B 25 -20.834 -3.601 -8.848 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -19.951 -7.312 -10.751 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -23.088 -3.643 -9.821 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -22.199 -7.346 -11.726 1.00 0.00 H new ATOM 0 HH TYR B 25 -24.149 -6.338 -11.915 1.00 0.00 H new ATOM 1582 N LEU B 26 -17.708 -2.522 -9.075 1.00 0.00 N ATOM 1583 CA LEU B 26 -17.975 -1.112 -9.062 1.00 0.00 C ATOM 1584 C LEU B 26 -17.071 -0.402 -10.074 1.00 0.00 C ATOM 1585 O LEU B 26 -17.488 0.564 -10.708 1.00 0.00 O ATOM 1586 CB LEU B 26 -17.841 -0.545 -7.629 1.00 0.00 C ATOM 1587 CG LEU B 26 -18.549 0.800 -7.295 1.00 0.00 C ATOM 1588 CD1 LEU B 26 -17.905 1.991 -7.990 1.00 0.00 C ATOM 1589 CD2 LEU B 26 -20.027 0.720 -7.645 1.00 0.00 C ATOM 0 H LEU B 26 -17.250 -2.870 -8.232 1.00 0.00 H new ATOM 0 HA LEU B 26 -19.005 -0.930 -9.368 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -18.217 -1.299 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -16.779 -0.422 -7.419 1.00 0.00 H new ATOM 0 HG LEU B 26 -18.438 0.960 -6.223 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -18.440 2.902 -7.721 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -16.864 2.075 -7.678 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -17.949 1.850 -9.070 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -20.509 1.668 -7.406 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -20.138 0.515 -8.710 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -20.494 -0.080 -7.070 1.00 0.00 H new ATOM 1601 N ASP B 27 -15.858 -0.912 -10.246 1.00 0.00 N ATOM 1602 CA ASP B 27 -14.893 -0.345 -11.205 1.00 0.00 C ATOM 1603 C ASP B 27 -15.431 -0.429 -12.616 1.00 0.00 C ATOM 1604 O ASP B 27 -15.333 0.513 -13.384 1.00 0.00 O ATOM 1605 CB ASP B 27 -13.570 -1.082 -11.128 1.00 0.00 C ATOM 1606 CG ASP B 27 -12.492 -0.488 -12.027 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -11.976 0.606 -11.724 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -12.090 -1.153 -13.012 1.00 0.00 O ATOM 0 H ASP B 27 -15.509 -1.723 -9.734 1.00 0.00 H new ATOM 0 HA ASP B 27 -14.737 0.702 -10.943 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -13.218 -1.074 -10.097 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -13.727 -2.125 -11.403 1.00 0.00 H new ATOM 1613 N GLU B 28 -15.979 -1.569 -12.957 1.00 0.00 N ATOM 1614 CA GLU B 28 -16.592 -1.747 -14.258 1.00 0.00 C ATOM 1615 C GLU B 28 -17.991 -1.096 -14.361 1.00 0.00 C ATOM 1616 O GLU B 28 -18.384 -0.632 -15.421 1.00 0.00 O ATOM 1617 CB GLU B 28 -16.615 -3.217 -14.660 1.00 0.00 C ATOM 1618 CG GLU B 28 -17.239 -4.145 -13.642 1.00 0.00 C ATOM 1619 CD GLU B 28 -17.229 -5.570 -14.088 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -16.154 -6.194 -14.080 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -18.294 -6.089 -14.481 1.00 0.00 O ATOM 0 H GLU B 28 -16.015 -2.391 -12.354 1.00 0.00 H new ATOM 0 HA GLU B 28 -15.965 -1.216 -14.974 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -17.159 -3.313 -15.600 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.592 -3.543 -14.849 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -16.701 -4.059 -12.698 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.266 -3.834 -13.453 1.00 0.00 H new ATOM 1628 N SER B 29 -18.737 -1.086 -13.268 1.00 0.00 N ATOM 1629 CA SER B 29 -20.078 -0.510 -13.249 1.00 0.00 C ATOM 1630 C SER B 29 -20.021 1.025 -13.331 1.00 0.00 C ATOM 1631 O SER B 29 -20.820 1.656 -14.036 1.00 0.00 O ATOM 1632 CB SER B 29 -20.824 -0.970 -11.976 1.00 0.00 C ATOM 1633 OG SER B 29 -22.143 -0.455 -11.903 1.00 0.00 O ATOM 0 H SER B 29 -18.436 -1.473 -12.374 1.00 0.00 H new ATOM 0 HA SER B 29 -20.624 -0.863 -14.124 1.00 0.00 H new ATOM 0 HB2 SER B 29 -20.861 -2.059 -11.954 1.00 0.00 H new ATOM 0 HB3 SER B 29 -20.264 -0.652 -11.096 1.00 0.00 H new ATOM 0 HG SER B 29 -22.574 -0.774 -11.083 1.00 0.00 H new ATOM 1639 N ASN B 30 -19.070 1.604 -12.604 1.00 0.00 N ATOM 1640 CA ASN B 30 -18.854 3.050 -12.541 1.00 0.00 C ATOM 1641 C ASN B 30 -20.082 3.808 -12.127 1.00 0.00 C ATOM 1642 O ASN B 30 -20.440 4.801 -12.728 1.00 0.00 O ATOM 1643 CB ASN B 30 -18.238 3.621 -13.828 1.00 0.00 C ATOM 1644 CG ASN B 30 -16.790 3.228 -13.999 1.00 0.00 C ATOM 1645 OD1 ASN B 30 -16.315 3.027 -15.110 1.00 0.00 O ATOM 1646 ND2 ASN B 30 -16.052 3.178 -12.918 1.00 0.00 N ATOM 0 H ASN B 30 -18.414 1.073 -12.031 1.00 0.00 H new ATOM 0 HA ASN B 30 -18.117 3.196 -11.752 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -18.810 3.271 -14.687 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -18.317 4.708 -13.814 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -15.056 2.968 -12.989 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -16.473 3.349 -12.005 1.00 0.00 H new ATOM 1653 N ALA B 31 -20.693 3.360 -11.044 1.00 0.00 N ATOM 1654 CA ALA B 31 -21.860 4.035 -10.472 1.00 0.00 C ATOM 1655 C ALA B 31 -21.483 5.435 -9.997 1.00 0.00 C ATOM 1656 O ALA B 31 -22.311 6.325 -9.895 1.00 0.00 O ATOM 1657 CB ALA B 31 -22.439 3.220 -9.337 1.00 0.00 C ATOM 0 H ALA B 31 -20.402 2.525 -10.535 1.00 0.00 H new ATOM 0 HA ALA B 31 -22.622 4.130 -11.246 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -23.305 3.736 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -22.743 2.242 -9.710 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -21.686 3.094 -8.559 1.00 0.00 H new ATOM 1663 N LEU B 32 -20.212 5.601 -9.720 1.00 0.00 N ATOM 1664 CA LEU B 32 -19.655 6.856 -9.272 1.00 0.00 C ATOM 1665 C LEU B 32 -19.103 7.667 -10.436 1.00 0.00 C ATOM 1666 O LEU B 32 -18.516 8.714 -10.229 1.00 0.00 O ATOM 1667 CB LEU B 32 -18.539 6.569 -8.288 1.00 0.00 C ATOM 1668 CG LEU B 32 -18.975 5.960 -6.974 1.00 0.00 C ATOM 1669 CD1 LEU B 32 -17.783 5.371 -6.269 1.00 0.00 C ATOM 1670 CD2 LEU B 32 -19.631 7.024 -6.103 1.00 0.00 C ATOM 0 H LEU B 32 -19.522 4.854 -9.801 1.00 0.00 H new ATOM 0 HA LEU B 32 -20.446 7.439 -8.800 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -17.824 5.896 -8.761 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -18.012 7.500 -8.081 1.00 0.00 H new ATOM 0 HG LEU B 32 -19.700 5.169 -7.165 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -18.100 4.933 -5.323 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -17.335 4.599 -6.894 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -17.049 6.154 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -19.943 6.579 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -18.918 7.826 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -20.502 7.430 -6.618 1.00 0.00 H new ATOM 1682 N GLY B 33 -19.247 7.149 -11.647 1.00 0.00 N ATOM 1683 CA GLY B 33 -18.762 7.830 -12.849 1.00 0.00 C ATOM 1684 C GLY B 33 -17.240 7.915 -12.941 1.00 0.00 C ATOM 1685 O GLY B 33 -16.700 8.539 -13.846 1.00 0.00 O ATOM 0 H GLY B 33 -19.699 6.253 -11.829 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -19.141 7.308 -13.728 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -19.175 8.839 -12.875 1.00 0.00 H new ATOM 1689 N LYS B 34 -16.549 7.342 -11.988 1.00 0.00 N ATOM 1690 CA LYS B 34 -15.115 7.332 -12.016 1.00 0.00 C ATOM 1691 C LYS B 34 -14.578 6.010 -11.521 1.00 0.00 C ATOM 1692 O LYS B 34 -15.319 5.209 -10.915 1.00 0.00 O ATOM 1693 CB LYS B 34 -14.524 8.485 -11.203 1.00 0.00 C ATOM 1694 CG LYS B 34 -14.826 8.439 -9.732 1.00 0.00 C ATOM 1695 CD LYS B 34 -14.105 9.551 -9.013 1.00 0.00 C ATOM 1696 CE LYS B 34 -14.348 9.474 -7.534 1.00 0.00 C ATOM 1697 NZ LYS B 34 -13.858 8.185 -6.985 1.00 0.00 N ATOM 0 H LYS B 34 -16.962 6.875 -11.181 1.00 0.00 H new ATOM 0 HA LYS B 34 -14.810 7.467 -13.054 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -13.442 8.489 -11.337 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -14.899 9.425 -11.607 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -15.900 8.530 -9.572 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -14.523 7.476 -9.322 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -13.036 9.487 -9.214 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -14.444 10.515 -9.392 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -13.844 10.302 -7.035 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -15.414 9.580 -7.330 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -13.767 8.260 -5.952 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -14.533 7.429 -7.219 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -12.930 7.962 -7.399 1.00 0.00 H new ATOM 1711 N LYS B 35 -13.300 5.806 -11.738 1.00 0.00 N ATOM 1712 CA LYS B 35 -12.599 4.650 -11.301 1.00 0.00 C ATOM 1713 C LYS B 35 -12.083 4.905 -9.917 1.00 0.00 C ATOM 1714 O LYS B 35 -12.183 6.032 -9.369 1.00 0.00 O ATOM 1715 CB LYS B 35 -11.417 4.359 -12.249 1.00 0.00 C ATOM 1716 CG LYS B 35 -11.779 4.217 -13.731 1.00 0.00 C ATOM 1717 CD LYS B 35 -12.679 3.025 -13.991 1.00 0.00 C ATOM 1718 CE LYS B 35 -13.010 2.880 -15.474 1.00 0.00 C ATOM 1719 NZ LYS B 35 -13.815 4.011 -15.999 1.00 0.00 N ATOM 0 H LYS B 35 -12.712 6.470 -12.241 1.00 0.00 H new ATOM 0 HA LYS B 35 -13.267 3.789 -11.302 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -10.686 5.161 -12.147 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -10.930 3.440 -11.922 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -12.276 5.126 -14.070 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -10.866 4.115 -14.318 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -12.191 2.117 -13.637 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -13.602 3.135 -13.421 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -12.083 2.806 -16.042 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -13.555 1.949 -15.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -13.769 4.017 -17.038 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -14.804 3.902 -15.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -13.437 4.907 -15.630 1.00 0.00 H new ATOM 1733 N PHE B 36 -11.534 3.900 -9.372 1.00 0.00 N ATOM 1734 CA PHE B 36 -10.989 3.941 -8.046 1.00 0.00 C ATOM 1735 C PHE B 36 -9.872 2.930 -7.899 1.00 0.00 C ATOM 1736 O PHE B 36 -8.742 3.292 -7.570 1.00 0.00 O ATOM 1737 CB PHE B 36 -12.095 3.819 -6.932 1.00 0.00 C ATOM 1738 CG PHE B 36 -12.934 2.555 -6.876 1.00 0.00 C ATOM 1739 CD1 PHE B 36 -13.522 2.015 -8.004 1.00 0.00 C ATOM 1740 CD2 PHE B 36 -13.171 1.932 -5.660 1.00 0.00 C ATOM 1741 CE1 PHE B 36 -14.303 0.899 -7.917 1.00 0.00 C ATOM 1742 CE2 PHE B 36 -13.946 0.831 -5.584 1.00 0.00 C ATOM 1743 CZ PHE B 36 -14.512 0.310 -6.701 1.00 0.00 C ATOM 0 H PHE B 36 -11.439 2.994 -9.831 1.00 0.00 H new ATOM 0 HA PHE B 36 -10.550 4.927 -7.893 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -11.605 3.934 -5.965 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -12.775 4.663 -7.047 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -13.362 2.481 -8.965 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -12.728 2.334 -4.761 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -14.754 0.483 -8.806 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -14.117 0.361 -4.627 1.00 0.00 H new ATOM 0 HZ PHE B 36 -15.130 -0.573 -6.630 1.00 0.00 H new ATOM 1753 N ILE B 37 -10.161 1.695 -8.221 1.00 0.00 N ATOM 1754 CA ILE B 37 -9.193 0.638 -8.122 1.00 0.00 C ATOM 1755 C ILE B 37 -8.290 0.655 -9.357 1.00 0.00 C ATOM 1756 O ILE B 37 -8.747 0.469 -10.496 1.00 0.00 O ATOM 1757 CB ILE B 37 -9.907 -0.755 -7.844 1.00 0.00 C ATOM 1758 CG1 ILE B 37 -8.974 -1.982 -7.716 1.00 0.00 C ATOM 1759 CG2 ILE B 37 -11.009 -1.046 -8.816 1.00 0.00 C ATOM 1760 CD1 ILE B 37 -8.400 -2.507 -9.018 1.00 0.00 C ATOM 0 H ILE B 37 -11.076 1.396 -8.559 1.00 0.00 H new ATOM 0 HA ILE B 37 -8.541 0.796 -7.263 1.00 0.00 H new ATOM 0 HB ILE B 37 -10.331 -0.606 -6.851 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -8.148 -1.720 -7.055 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -9.527 -2.787 -7.232 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -11.460 -2.009 -8.577 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -11.767 -0.265 -8.752 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -10.604 -1.076 -9.827 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -7.761 -3.366 -8.814 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -9.213 -2.808 -9.679 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -7.813 -1.724 -9.498 1.00 0.00 H new ATOM 1772 N ILE B 38 -7.029 0.933 -9.127 1.00 0.00 N ATOM 1773 CA ILE B 38 -6.055 1.010 -10.196 1.00 0.00 C ATOM 1774 C ILE B 38 -5.606 -0.376 -10.612 1.00 0.00 C ATOM 1775 O ILE B 38 -5.713 -0.746 -11.781 1.00 0.00 O ATOM 1776 CB ILE B 38 -4.837 1.873 -9.790 1.00 0.00 C ATOM 1777 CG1 ILE B 38 -5.253 3.348 -9.626 1.00 0.00 C ATOM 1778 CG2 ILE B 38 -3.685 1.702 -10.779 1.00 0.00 C ATOM 1779 CD1 ILE B 38 -4.141 4.272 -9.168 1.00 0.00 C ATOM 0 H ILE B 38 -6.647 1.112 -8.198 1.00 0.00 H new ATOM 0 HA ILE B 38 -6.537 1.491 -11.047 1.00 0.00 H new ATOM 0 HB ILE B 38 -4.472 1.527 -8.823 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -5.639 3.711 -10.579 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -6.072 3.403 -8.908 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -2.843 2.321 -10.468 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -3.378 0.656 -10.803 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -4.011 2.007 -11.773 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -4.525 5.288 -9.080 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -3.768 3.940 -8.199 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -3.329 4.253 -9.895 1.00 0.00 H new ATOM 1791 N GLN B 39 -5.151 -1.150 -9.663 1.00 0.00 N ATOM 1792 CA GLN B 39 -4.761 -2.494 -9.948 1.00 0.00 C ATOM 1793 C GLN B 39 -5.044 -3.352 -8.747 1.00 0.00 C ATOM 1794 O GLN B 39 -5.166 -2.836 -7.617 1.00 0.00 O ATOM 1795 CB GLN B 39 -3.278 -2.649 -10.388 1.00 0.00 C ATOM 1796 CG GLN B 39 -2.271 -2.404 -9.291 1.00 0.00 C ATOM 1797 CD GLN B 39 -0.991 -3.195 -9.507 1.00 0.00 C ATOM 1798 OE1 GLN B 39 -0.553 -3.408 -10.641 1.00 0.00 O ATOM 1799 NE2 GLN B 39 -0.473 -3.737 -8.442 1.00 0.00 N ATOM 0 H GLN B 39 -5.043 -0.868 -8.689 1.00 0.00 H new ATOM 0 HA GLN B 39 -5.351 -2.818 -10.805 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -3.132 -3.656 -10.780 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -3.081 -1.957 -11.206 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -2.037 -1.340 -9.245 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -2.708 -2.676 -8.330 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -0.867 -3.533 -7.523 1.00 0.00 H new ATOM 0 HE22 GLN B 39 0.326 -4.365 -8.527 1.00 0.00 H new ATOM 1808 N ASP B 40 -5.207 -4.618 -8.976 1.00 0.00 N ATOM 1809 CA ASP B 40 -5.396 -5.542 -7.905 1.00 0.00 C ATOM 1810 C ASP B 40 -4.045 -6.105 -7.546 1.00 0.00 C ATOM 1811 O ASP B 40 -3.187 -6.296 -8.418 1.00 0.00 O ATOM 1812 CB ASP B 40 -6.400 -6.654 -8.236 1.00 0.00 C ATOM 1813 CG ASP B 40 -5.906 -7.690 -9.217 1.00 0.00 C ATOM 1814 OD1 ASP B 40 -5.840 -7.412 -10.433 1.00 0.00 O ATOM 1815 OD2 ASP B 40 -5.614 -8.820 -8.802 1.00 0.00 O ATOM 0 H ASP B 40 -5.213 -5.037 -9.906 1.00 0.00 H new ATOM 0 HA ASP B 40 -5.833 -5.016 -7.056 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -6.680 -7.157 -7.310 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.305 -6.198 -8.638 1.00 0.00 H new ATOM 1820 N ILE B 41 -3.828 -6.306 -6.295 1.00 0.00 N ATOM 1821 CA ILE B 41 -2.534 -6.693 -5.791 1.00 0.00 C ATOM 1822 C ILE B 41 -2.656 -7.961 -4.956 1.00 0.00 C ATOM 1823 O ILE B 41 -3.430 -8.030 -4.063 1.00 0.00 O ATOM 1824 CB ILE B 41 -1.900 -5.527 -4.950 1.00 0.00 C ATOM 1825 CG1 ILE B 41 -2.874 -4.334 -4.868 1.00 0.00 C ATOM 1826 CG2 ILE B 41 -0.534 -5.092 -5.491 1.00 0.00 C ATOM 1827 CD1 ILE B 41 -2.330 -3.134 -4.185 1.00 0.00 C ATOM 0 H ILE B 41 -4.544 -6.209 -5.575 1.00 0.00 H new ATOM 0 HA ILE B 41 -1.874 -6.898 -6.634 1.00 0.00 H new ATOM 0 HB ILE B 41 -1.727 -5.907 -3.943 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -3.172 -4.056 -5.879 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -3.776 -4.654 -4.347 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -0.139 -4.284 -4.875 1.00 0.00 H new ATOM 0 HG22 ILE B 41 0.154 -5.937 -5.465 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -0.643 -4.744 -6.518 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -3.085 -2.347 -4.175 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -2.059 -3.390 -3.161 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -1.446 -2.782 -4.717 1.00 0.00 H new ATOM 1839 N ASP B 42 -1.945 -8.952 -5.351 1.00 0.00 N ATOM 1840 CA ASP B 42 -1.842 -10.277 -4.700 1.00 0.00 C ATOM 1841 C ASP B 42 -3.151 -10.897 -4.281 1.00 0.00 C ATOM 1842 O ASP B 42 -3.353 -11.328 -3.158 1.00 0.00 O ATOM 1843 CB ASP B 42 -0.759 -10.398 -3.639 1.00 0.00 C ATOM 1844 CG ASP B 42 -0.950 -9.542 -2.394 1.00 0.00 C ATOM 1845 OD1 ASP B 42 -0.596 -8.343 -2.423 1.00 0.00 O ATOM 1846 OD2 ASP B 42 -1.435 -10.075 -1.358 1.00 0.00 O ATOM 0 H ASP B 42 -1.368 -8.891 -6.190 1.00 0.00 H new ATOM 0 HA ASP B 42 -1.495 -10.900 -5.524 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -0.693 -11.442 -3.332 1.00 0.00 H new ATOM 0 HB3 ASP B 42 0.198 -10.138 -4.092 1.00 0.00 H new ATOM 1851 N ASP B 43 -4.037 -10.849 -5.205 1.00 0.00 N ATOM 1852 CA ASP B 43 -5.376 -11.469 -5.184 1.00 0.00 C ATOM 1853 C ASP B 43 -6.369 -10.793 -4.266 1.00 0.00 C ATOM 1854 O ASP B 43 -7.541 -10.633 -4.625 1.00 0.00 O ATOM 1855 CB ASP B 43 -5.331 -12.982 -4.903 1.00 0.00 C ATOM 1856 CG ASP B 43 -4.698 -13.765 -6.022 1.00 0.00 C ATOM 1857 OD1 ASP B 43 -3.474 -13.938 -6.029 1.00 0.00 O ATOM 1858 OD2 ASP B 43 -5.426 -14.222 -6.933 1.00 0.00 O ATOM 0 H ASP B 43 -3.865 -10.346 -6.075 1.00 0.00 H new ATOM 0 HA ASP B 43 -5.742 -11.318 -6.199 1.00 0.00 H new ATOM 0 HB2 ASP B 43 -4.775 -13.159 -3.982 1.00 0.00 H new ATOM 0 HB3 ASP B 43 -6.345 -13.347 -4.739 1.00 0.00 H new ATOM 1863 N THR B 44 -5.918 -10.364 -3.140 1.00 0.00 N ATOM 1864 CA THR B 44 -6.826 -9.825 -2.125 1.00 0.00 C ATOM 1865 C THR B 44 -6.695 -8.317 -2.020 1.00 0.00 C ATOM 1866 O THR B 44 -7.614 -7.633 -1.550 1.00 0.00 O ATOM 1867 CB THR B 44 -6.555 -10.456 -0.724 1.00 0.00 C ATOM 1868 OG1 THR B 44 -6.304 -11.869 -0.888 1.00 0.00 O ATOM 1869 CG2 THR B 44 -7.781 -10.294 0.222 1.00 0.00 C ATOM 0 H THR B 44 -4.933 -10.365 -2.876 1.00 0.00 H new ATOM 0 HA THR B 44 -7.838 -10.080 -2.440 1.00 0.00 H new ATOM 0 HB THR B 44 -5.698 -9.945 -0.285 1.00 0.00 H new ATOM 0 HG1 THR B 44 -6.131 -12.274 -0.013 1.00 0.00 H new ATOM 0 HG21 THR B 44 -7.557 -10.745 1.189 1.00 0.00 H new ATOM 0 HG22 THR B 44 -7.999 -9.235 0.358 1.00 0.00 H new ATOM 0 HG23 THR B 44 -8.647 -10.789 -0.217 1.00 0.00 H new ATOM 1877 N HIS B 45 -5.592 -7.771 -2.487 1.00 0.00 N ATOM 1878 CA HIS B 45 -5.388 -6.366 -2.301 1.00 0.00 C ATOM 1879 C HIS B 45 -5.963 -5.557 -3.410 1.00 0.00 C ATOM 1880 O HIS B 45 -6.015 -5.977 -4.569 1.00 0.00 O ATOM 1881 CB HIS B 45 -3.927 -5.984 -2.029 1.00 0.00 C ATOM 1882 CG HIS B 45 -3.417 -6.474 -0.730 1.00 0.00 C ATOM 1883 ND1 HIS B 45 -3.428 -5.712 0.412 1.00 0.00 N ATOM 1884 CD2 HIS B 45 -2.930 -7.667 -0.376 1.00 0.00 C ATOM 1885 CE1 HIS B 45 -2.982 -6.427 1.406 1.00 0.00 C ATOM 1886 NE2 HIS B 45 -2.668 -7.619 0.957 1.00 0.00 N ATOM 0 H HIS B 45 -4.850 -8.266 -2.981 1.00 0.00 H new ATOM 0 HA HIS B 45 -5.939 -6.120 -1.393 1.00 0.00 H new ATOM 0 HB2 HIS B 45 -3.302 -6.382 -2.828 1.00 0.00 H new ATOM 0 HB3 HIS B 45 -3.832 -4.899 -2.061 1.00 0.00 H new ATOM 0 HD2 HIS B 45 -2.773 -8.513 -1.029 1.00 0.00 H new ATOM 0 HE1 HIS B 45 -2.887 -6.094 2.429 1.00 0.00 H new ATOM 0 HE2 HIS B 45 -2.290 -8.384 1.516 1.00 0.00 H new ATOM 1895 N VAL B 46 -6.385 -4.411 -3.047 1.00 0.00 N ATOM 1896 CA VAL B 46 -6.963 -3.453 -3.918 1.00 0.00 C ATOM 1897 C VAL B 46 -6.200 -2.192 -3.765 1.00 0.00 C ATOM 1898 O VAL B 46 -5.858 -1.809 -2.643 1.00 0.00 O ATOM 1899 CB VAL B 46 -8.450 -3.212 -3.538 1.00 0.00 C ATOM 1900 CG1 VAL B 46 -8.981 -1.903 -4.101 1.00 0.00 C ATOM 1901 CG2 VAL B 46 -9.288 -4.353 -4.046 1.00 0.00 C ATOM 0 H VAL B 46 -6.336 -4.092 -2.079 1.00 0.00 H new ATOM 0 HA VAL B 46 -6.926 -3.807 -4.948 1.00 0.00 H new ATOM 0 HB VAL B 46 -8.508 -3.152 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL B 46 -10.024 -1.778 -3.809 1.00 0.00 H new ATOM 0 HG12 VAL B 46 -8.393 -1.073 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL B 46 -8.908 -1.918 -5.188 1.00 0.00 H new ATOM 0 HG21 VAL B 46 -10.332 -4.185 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL B 46 -9.196 -4.418 -5.130 1.00 0.00 H new ATOM 0 HG23 VAL B 46 -8.945 -5.285 -3.597 1.00 0.00 H new ATOM 1911 N PHE B 47 -5.863 -1.594 -4.856 1.00 0.00 N ATOM 1912 CA PHE B 47 -5.208 -0.359 -4.803 1.00 0.00 C ATOM 1913 C PHE B 47 -6.178 0.722 -5.227 1.00 0.00 C ATOM 1914 O PHE B 47 -6.700 0.685 -6.347 1.00 0.00 O ATOM 1915 CB PHE B 47 -4.029 -0.336 -5.739 1.00 0.00 C ATOM 1916 CG PHE B 47 -3.171 0.807 -5.448 1.00 0.00 C ATOM 1917 CD1 PHE B 47 -2.247 0.731 -4.433 1.00 0.00 C ATOM 1918 CD2 PHE B 47 -3.316 1.971 -6.142 1.00 0.00 C ATOM 1919 CE1 PHE B 47 -1.469 1.803 -4.126 1.00 0.00 C ATOM 1920 CE2 PHE B 47 -2.552 3.049 -5.837 1.00 0.00 C ATOM 1921 CZ PHE B 47 -1.623 2.962 -4.827 1.00 0.00 C ATOM 0 H PHE B 47 -6.037 -1.953 -5.795 1.00 0.00 H new ATOM 0 HA PHE B 47 -4.855 -0.193 -3.785 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.460 -1.260 -5.640 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -4.377 -0.285 -6.771 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -2.138 -0.187 -3.875 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -4.043 2.035 -6.938 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -0.737 1.737 -3.335 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -2.673 3.972 -6.385 1.00 0.00 H new ATOM 0 HZ PHE B 47 -1.011 3.819 -4.587 1.00 0.00 H new ATOM 1931 N VAL B 48 -6.398 1.663 -4.377 1.00 0.00 N ATOM 1932 CA VAL B 48 -7.268 2.771 -4.665 1.00 0.00 C ATOM 1933 C VAL B 48 -6.684 4.026 -4.059 1.00 0.00 C ATOM 1934 O VAL B 48 -6.241 4.007 -2.947 1.00 0.00 O ATOM 1935 CB VAL B 48 -8.725 2.514 -4.165 1.00 0.00 C ATOM 1936 CG1 VAL B 48 -8.765 2.093 -2.698 1.00 0.00 C ATOM 1937 CG2 VAL B 48 -9.595 3.732 -4.382 1.00 0.00 C ATOM 0 H VAL B 48 -5.978 1.694 -3.448 1.00 0.00 H new ATOM 0 HA VAL B 48 -7.337 2.894 -5.746 1.00 0.00 H new ATOM 0 HB VAL B 48 -9.120 1.688 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.799 1.926 -2.396 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -8.195 1.173 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -8.330 2.880 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -10.604 3.526 -4.025 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -9.181 4.577 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -9.628 3.971 -5.445 1.00 0.00 H new ATOM 1947 N ILE B 49 -6.662 5.096 -4.802 1.00 0.00 N ATOM 1948 CA ILE B 49 -6.044 6.332 -4.317 1.00 0.00 C ATOM 1949 C ILE B 49 -6.950 7.002 -3.264 1.00 0.00 C ATOM 1950 O ILE B 49 -8.188 7.032 -3.408 1.00 0.00 O ATOM 1951 CB ILE B 49 -5.679 7.299 -5.481 1.00 0.00 C ATOM 1952 CG1 ILE B 49 -4.794 8.460 -4.987 1.00 0.00 C ATOM 1953 CG2 ILE B 49 -6.911 7.799 -6.220 1.00 0.00 C ATOM 1954 CD1 ILE B 49 -4.451 9.497 -6.044 1.00 0.00 C ATOM 0 H ILE B 49 -7.057 5.154 -5.741 1.00 0.00 H new ATOM 0 HA ILE B 49 -5.101 6.074 -3.835 1.00 0.00 H new ATOM 0 HB ILE B 49 -5.096 6.728 -6.203 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -5.301 8.958 -4.161 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -3.867 8.047 -4.589 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -6.606 8.470 -7.023 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -7.452 6.951 -6.641 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -7.559 8.334 -5.526 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -3.826 10.273 -5.603 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -3.912 9.019 -6.862 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -5.369 9.944 -6.427 1.00 0.00 H new ATOM 1966 N ALA B 50 -6.331 7.539 -2.226 1.00 0.00 N ATOM 1967 CA ALA B 50 -7.045 8.020 -1.050 1.00 0.00 C ATOM 1968 C ALA B 50 -7.964 9.186 -1.320 1.00 0.00 C ATOM 1969 O ALA B 50 -9.059 9.263 -0.764 1.00 0.00 O ATOM 1970 CB ALA B 50 -6.079 8.386 0.059 1.00 0.00 C ATOM 0 H ALA B 50 -5.319 7.655 -2.173 1.00 0.00 H new ATOM 0 HA ALA B 50 -7.676 7.187 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -6.637 8.742 0.925 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.496 7.508 0.339 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -5.408 9.172 -0.288 1.00 0.00 H new ATOM 1976 N GLU B 51 -7.548 10.053 -2.193 1.00 0.00 N ATOM 1977 CA GLU B 51 -8.239 11.309 -2.442 1.00 0.00 C ATOM 1978 C GLU B 51 -9.679 11.149 -2.926 1.00 0.00 C ATOM 1979 O GLU B 51 -10.490 12.064 -2.796 1.00 0.00 O ATOM 1980 CB GLU B 51 -7.421 12.214 -3.339 1.00 0.00 C ATOM 1981 CG GLU B 51 -6.014 12.435 -2.802 1.00 0.00 C ATOM 1982 CD GLU B 51 -5.996 12.833 -1.333 1.00 0.00 C ATOM 1983 OE1 GLU B 51 -6.136 14.017 -1.020 1.00 0.00 O ATOM 1984 OE2 GLU B 51 -5.815 11.950 -0.457 1.00 0.00 O ATOM 0 H GLU B 51 -6.713 9.919 -2.764 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.334 11.796 -1.471 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -7.363 11.778 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.925 13.175 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -5.433 11.522 -2.933 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -5.524 13.211 -3.390 1.00 0.00 H new ATOM 1991 N LEU B 52 -10.011 9.995 -3.446 1.00 0.00 N ATOM 1992 CA LEU B 52 -11.347 9.778 -3.920 1.00 0.00 C ATOM 1993 C LEU B 52 -12.111 8.703 -3.134 1.00 0.00 C ATOM 1994 O LEU B 52 -13.191 8.276 -3.561 1.00 0.00 O ATOM 1995 CB LEU B 52 -11.367 9.553 -5.444 1.00 0.00 C ATOM 1996 CG LEU B 52 -10.424 8.489 -6.027 1.00 0.00 C ATOM 1997 CD1 LEU B 52 -10.832 7.069 -5.658 1.00 0.00 C ATOM 1998 CD2 LEU B 52 -10.296 8.645 -7.531 1.00 0.00 C ATOM 0 H LEU B 52 -9.380 9.201 -3.550 1.00 0.00 H new ATOM 0 HA LEU B 52 -11.903 10.695 -3.726 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -12.385 9.290 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -11.137 10.504 -5.925 1.00 0.00 H new ATOM 0 HG LEU B 52 -9.447 8.657 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -10.129 6.362 -6.098 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -10.826 6.959 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -11.834 6.868 -6.038 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -9.623 7.881 -7.920 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -11.277 8.535 -7.993 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -9.895 9.632 -7.762 1.00 0.00 H new ATOM 2010 N VAL B 53 -11.577 8.291 -1.984 1.00 0.00 N ATOM 2011 CA VAL B 53 -12.245 7.288 -1.128 1.00 0.00 C ATOM 2012 C VAL B 53 -13.504 7.864 -0.489 1.00 0.00 C ATOM 2013 O VAL B 53 -14.421 7.138 -0.188 1.00 0.00 O ATOM 2014 CB VAL B 53 -11.324 6.609 -0.052 1.00 0.00 C ATOM 2015 CG1 VAL B 53 -10.956 7.555 1.069 1.00 0.00 C ATOM 2016 CG2 VAL B 53 -11.963 5.336 0.501 1.00 0.00 C ATOM 0 H VAL B 53 -10.687 8.630 -1.617 1.00 0.00 H new ATOM 0 HA VAL B 53 -12.520 6.481 -1.807 1.00 0.00 H new ATOM 0 HB VAL B 53 -10.399 6.336 -0.560 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -10.319 7.038 1.787 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -10.421 8.413 0.661 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -11.862 7.897 1.569 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -11.301 4.890 1.243 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -12.918 5.581 0.967 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -12.126 4.628 -0.312 1.00 0.00 H new ATOM 2026 N ASN B 54 -13.524 9.175 -0.273 1.00 0.00 N ATOM 2027 CA ASN B 54 -14.675 9.864 0.353 1.00 0.00 C ATOM 2028 C ASN B 54 -15.995 9.523 -0.365 1.00 0.00 C ATOM 2029 O ASN B 54 -17.034 9.401 0.267 1.00 0.00 O ATOM 2030 CB ASN B 54 -14.449 11.384 0.352 1.00 0.00 C ATOM 2031 CG ASN B 54 -15.569 12.185 1.024 1.00 0.00 C ATOM 2032 OD1 ASN B 54 -16.227 11.723 1.957 1.00 0.00 O ATOM 2033 ND2 ASN B 54 -15.788 13.383 0.549 1.00 0.00 N ATOM 0 H ASN B 54 -12.754 9.797 -0.521 1.00 0.00 H new ATOM 0 HA ASN B 54 -14.754 9.514 1.382 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -13.508 11.601 0.858 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -14.342 11.724 -0.678 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -16.522 13.965 0.952 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -15.225 13.736 -0.225 1.00 0.00 H new ATOM 2040 N VAL B 55 -15.934 9.286 -1.674 1.00 0.00 N ATOM 2041 CA VAL B 55 -17.141 8.924 -2.413 1.00 0.00 C ATOM 2042 C VAL B 55 -17.561 7.491 -2.062 1.00 0.00 C ATOM 2043 O VAL B 55 -18.736 7.162 -1.976 1.00 0.00 O ATOM 2044 CB VAL B 55 -17.010 9.105 -3.950 1.00 0.00 C ATOM 2045 CG1 VAL B 55 -16.569 10.503 -4.303 1.00 0.00 C ATOM 2046 CG2 VAL B 55 -16.086 8.101 -4.577 1.00 0.00 C ATOM 0 H VAL B 55 -15.083 9.336 -2.234 1.00 0.00 H new ATOM 0 HA VAL B 55 -17.919 9.621 -2.101 1.00 0.00 H new ATOM 0 HB VAL B 55 -18.006 8.933 -4.359 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -16.487 10.596 -5.386 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -17.301 11.220 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -15.600 10.705 -3.847 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -16.034 8.276 -5.652 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -15.091 8.202 -4.144 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -16.462 7.095 -4.391 1.00 0.00 H new ATOM 2056 N LEU B 56 -16.566 6.669 -1.832 1.00 0.00 N ATOM 2057 CA LEU B 56 -16.744 5.294 -1.406 1.00 0.00 C ATOM 2058 C LEU B 56 -17.311 5.265 -0.024 1.00 0.00 C ATOM 2059 O LEU B 56 -18.135 4.438 0.282 1.00 0.00 O ATOM 2060 CB LEU B 56 -15.416 4.522 -1.432 1.00 0.00 C ATOM 2061 CG LEU B 56 -15.031 3.832 -2.733 1.00 0.00 C ATOM 2062 CD1 LEU B 56 -16.005 2.724 -2.999 1.00 0.00 C ATOM 2063 CD2 LEU B 56 -15.022 4.793 -3.899 1.00 0.00 C ATOM 0 H LEU B 56 -15.588 6.939 -1.937 1.00 0.00 H new ATOM 0 HA LEU B 56 -17.431 4.812 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -14.618 5.217 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -15.451 3.766 -0.648 1.00 0.00 H new ATOM 0 HG LEU B 56 -14.021 3.437 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -15.740 2.222 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -15.974 2.008 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -17.011 3.136 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -14.742 4.260 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -16.015 5.224 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -14.302 5.589 -3.709 1.00 0.00 H new ATOM 2075 N GLN B 57 -16.875 6.195 0.802 1.00 0.00 N ATOM 2076 CA GLN B 57 -17.366 6.302 2.155 1.00 0.00 C ATOM 2077 C GLN B 57 -18.844 6.596 2.137 1.00 0.00 C ATOM 2078 O GLN B 57 -19.604 6.014 2.910 1.00 0.00 O ATOM 2079 CB GLN B 57 -16.644 7.387 2.925 1.00 0.00 C ATOM 2080 CG GLN B 57 -15.108 7.359 2.883 1.00 0.00 C ATOM 2081 CD GLN B 57 -14.398 6.112 3.423 1.00 0.00 C ATOM 2082 OE1 GLN B 57 -14.908 4.949 3.160 1.00 0.00 O flip ATOM 2083 NE2 GLN B 57 -13.314 6.218 3.994 1.00 0.00 N flip ATOM 0 H GLN B 57 -16.174 6.893 0.553 1.00 0.00 H new ATOM 0 HA GLN B 57 -17.180 5.351 2.655 1.00 0.00 H new ATOM 0 HB2 GLN B 57 -16.977 8.353 2.545 1.00 0.00 H new ATOM 0 HB3 GLN B 57 -16.957 7.330 3.968 1.00 0.00 H new ATOM 0 HG2 GLN B 57 -14.799 7.497 1.847 1.00 0.00 H new ATOM 0 HG3 GLN B 57 -14.742 8.220 3.442 1.00 0.00 H new ATOM 0 HE21 GLN B 57 -12.930 7.142 4.192 1.00 0.00 H new ATOM 0 HE22 GLN B 57 -12.799 5.382 4.270 1.00 0.00 H new ATOM 2092 N GLU B 58 -19.260 7.468 1.220 1.00 0.00 N ATOM 2093 CA GLU B 58 -20.659 7.779 1.104 1.00 0.00 C ATOM 2094 C GLU B 58 -21.414 6.583 0.569 1.00 0.00 C ATOM 2095 O GLU B 58 -22.508 6.309 0.993 1.00 0.00 O ATOM 2096 CB GLU B 58 -20.940 9.024 0.245 1.00 0.00 C ATOM 2097 CG GLU B 58 -20.167 10.247 0.692 1.00 0.00 C ATOM 2098 CD GLU B 58 -20.600 11.533 0.016 1.00 0.00 C ATOM 2099 OE1 GLU B 58 -20.498 11.648 -1.223 1.00 0.00 O ATOM 2100 OE2 GLU B 58 -21.052 12.466 0.717 1.00 0.00 O ATOM 0 H GLU B 58 -18.651 7.957 0.564 1.00 0.00 H new ATOM 0 HA GLU B 58 -21.010 8.018 2.108 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -20.691 8.804 -0.793 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -22.007 9.245 0.277 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -20.279 10.360 1.770 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -19.107 10.085 0.497 1.00 0.00 H new ATOM 2107 N ARG B 59 -20.818 5.842 -0.332 1.00 0.00 N ATOM 2108 CA ARG B 59 -21.514 4.699 -0.839 1.00 0.00 C ATOM 2109 C ARG B 59 -21.656 3.587 0.196 1.00 0.00 C ATOM 2110 O ARG B 59 -22.764 3.095 0.450 1.00 0.00 O ATOM 2111 CB ARG B 59 -20.898 4.163 -2.118 1.00 0.00 C ATOM 2112 CG ARG B 59 -21.307 4.934 -3.345 1.00 0.00 C ATOM 2113 CD ARG B 59 -21.030 4.148 -4.618 1.00 0.00 C ATOM 2114 NE ARG B 59 -21.528 2.768 -4.561 1.00 0.00 N ATOM 2115 CZ ARG B 59 -22.568 2.269 -5.263 1.00 0.00 C ATOM 2116 NH1 ARG B 59 -23.311 3.056 -6.040 1.00 0.00 N ATOM 2117 NH2 ARG B 59 -22.867 0.983 -5.166 1.00 0.00 N ATOM 0 H ARG B 59 -19.887 6.005 -0.715 1.00 0.00 H new ATOM 0 HA ARG B 59 -22.517 5.054 -1.077 1.00 0.00 H new ATOM 0 HB2 ARG B 59 -19.812 4.187 -2.028 1.00 0.00 H new ATOM 0 HB3 ARG B 59 -21.185 3.119 -2.241 1.00 0.00 H new ATOM 0 HG2 ARG B 59 -22.369 5.173 -3.288 1.00 0.00 H new ATOM 0 HG3 ARG B 59 -20.768 5.881 -3.377 1.00 0.00 H new ATOM 0 HD2 ARG B 59 -21.492 4.660 -5.462 1.00 0.00 H new ATOM 0 HD3 ARG B 59 -19.956 4.133 -4.803 1.00 0.00 H new ATOM 0 HE ARG B 59 -21.043 2.127 -3.933 1.00 0.00 H new ATOM 0 HH11 ARG B 59 -23.098 4.051 -6.111 1.00 0.00 H new ATOM 0 HH12 ARG B 59 -24.093 2.664 -6.564 1.00 0.00 H new ATOM 0 HH21 ARG B 59 -22.313 0.375 -4.563 1.00 0.00 H new ATOM 0 HH22 ARG B 59 -23.651 0.601 -5.694 1.00 0.00 H new ATOM 2131 N VAL B 60 -20.584 3.294 0.873 1.00 0.00 N ATOM 2132 CA VAL B 60 -20.567 2.210 1.829 1.00 0.00 C ATOM 2133 C VAL B 60 -21.390 2.556 3.070 1.00 0.00 C ATOM 2134 O VAL B 60 -22.235 1.755 3.500 1.00 0.00 O ATOM 2135 CB VAL B 60 -19.107 1.791 2.211 1.00 0.00 C ATOM 2136 CG1 VAL B 60 -19.105 0.658 3.231 1.00 0.00 C ATOM 2137 CG2 VAL B 60 -18.340 1.351 0.968 1.00 0.00 C ATOM 0 H VAL B 60 -19.699 3.793 0.784 1.00 0.00 H new ATOM 0 HA VAL B 60 -21.032 1.348 1.350 1.00 0.00 H new ATOM 0 HB VAL B 60 -18.620 2.660 2.654 1.00 0.00 H new ATOM 0 HG11 VAL B 60 -18.077 0.390 3.475 1.00 0.00 H new ATOM 0 HG12 VAL B 60 -19.620 0.982 4.135 1.00 0.00 H new ATOM 0 HG13 VAL B 60 -19.616 -0.209 2.813 1.00 0.00 H new ATOM 0 HG21 VAL B 60 -17.327 1.063 1.249 1.00 0.00 H new ATOM 0 HG22 VAL B 60 -18.846 0.501 0.510 1.00 0.00 H new ATOM 0 HG23 VAL B 60 -18.298 2.175 0.255 1.00 0.00 H new ATOM 2147 N GLY B 61 -21.208 3.749 3.586 1.00 0.00 N ATOM 2148 CA GLY B 61 -21.894 4.140 4.788 1.00 0.00 C ATOM 2149 C GLY B 61 -23.303 4.645 4.555 1.00 0.00 C ATOM 2150 O GLY B 61 -24.229 4.228 5.243 1.00 0.00 O ATOM 0 H GLY B 61 -20.593 4.461 3.192 1.00 0.00 H new ATOM 0 HA2 GLY B 61 -21.932 3.288 5.466 1.00 0.00 H new ATOM 0 HA3 GLY B 61 -21.317 4.919 5.287 1.00 0.00 H new