USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1003 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 THR OG1 : rot 85:sc= 1.53 USER MOD Set 1.2: B 68 SER OG : rot 144:sc= -0.232 USER MOD Set 2.1: A 11 GLN : amide:sc= -1.46! C(o=-1.7!,f=-7.1!) USER MOD Set 2.2: B 26 HIS : no HD1:sc= -0.219 K(o=-1.7,f=-11!) USER MOD Set 3.1: A 7 TYR OH : rot -143:sc= 0.387 USER MOD Set 3.2: B 29 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= 1.29 (180deg=1.19) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.02) USER MOD Single : A 26 HIS : no HD1:sc= 0.556 K(o=0.56,f=-6.1!) USER MOD Single : A 29 SER OG : rot 180:sc= 0.00739 USER MOD Single : A 33 THR OG1 : rot 70:sc= 1.25 USER MOD Single : A 35 MET CE :methyl -158:sc= -0.0927 (180deg=-0.517) USER MOD Single : A 39 ASN : amide:sc= 0.668 K(o=0.67,f=-0.14) USER MOD Single : A 43 ASN : amide:sc= 1.27 K(o=1.3,f=-0.019) USER MOD Single : A 46 ASN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 52 SER OG : rot -28:sc= 0.534 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.112 F(o=-1.1,f=-0.11) USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.03) USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= -0.196 (180deg=-0.425) USER MOD Single : A 63 GLN :FLIP amide:sc=-0.00876 F(o=-1.3!,f=-0.0088) USER MOD Single : A 66 MET CE :methyl 172:sc= -0.332 (180deg=-0.547) USER MOD Single : A 67 SER OG : rot 78:sc= 0.26 USER MOD Single : A 68 SER OG : rot 72:sc= 1.22 USER MOD Single : B 8 THR OG1 : rot 36:sc= 0.0591 USER MOD Single : B 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 148:sc= 1.12 (180deg=-0.436) USER MOD Single : B 25 LYS NZ :NH3+ -173:sc= 1.17 (180deg=1) USER MOD Single : B 33 THR OG1 : rot 76:sc= 1.18 USER MOD Single : B 35 MET CE :methyl 172:sc= -0.228 (180deg=-0.428) USER MOD Single : B 39 ASN : amide:sc= -0.672 X(o=-0.67,f=-0.84) USER MOD Single : B 42 THR OG1 : rot 80:sc= 1.28 USER MOD Single : B 43 ASN : amide:sc= -0.0309 K(o=-0.031,f=-1.1) USER MOD Single : B 46 ASN :FLIP amide:sc= 0 F(o=-2.1,f=0) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD Single : B 53 GLN :FLIP amide:sc= -0.187 F(o=-0.99,f=-0.19) USER MOD Single : B 55 LYS NZ :NH3+ -126:sc= 0.613 (180deg=0.336) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN : amide:sc= -0.0633 X(o=-0.063,f=-0.066) USER MOD Single : B 66 MET CE :methyl -112:sc= -2.6 (180deg=-5.82!) USER MOD Single : B 67 SER OG : rot 76:sc= 0.67 USER MOD ----------------------------------------------------------------- ATOM 97 N TYR A 7 -5.290 5.899 16.654 1.00 0.00 N ATOM 98 CA TYR A 7 -5.408 7.227 16.049 1.00 0.00 C ATOM 99 C TYR A 7 -6.840 7.762 16.055 1.00 0.00 C ATOM 100 O TYR A 7 -7.795 7.071 16.420 1.00 0.00 O ATOM 101 CB TYR A 7 -4.850 7.237 14.622 1.00 0.00 C ATOM 102 CG TYR A 7 -3.364 7.490 14.572 1.00 0.00 C ATOM 103 CD1 TYR A 7 -2.866 8.773 14.739 1.00 0.00 C ATOM 104 CD2 TYR A 7 -2.460 6.454 14.383 1.00 0.00 C ATOM 105 CE1 TYR A 7 -1.509 9.022 14.714 1.00 0.00 C ATOM 106 CE2 TYR A 7 -1.098 6.692 14.361 1.00 0.00 C ATOM 107 CZ TYR A 7 -0.628 7.979 14.529 1.00 0.00 C ATOM 108 OH TYR A 7 0.723 8.227 14.519 1.00 0.00 O ATOM 0 HA TYR A 7 -4.812 7.894 16.672 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.066 6.280 14.147 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.363 8.004 14.042 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.553 9.593 14.891 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.826 5.446 14.251 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.139 10.029 14.839 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.406 5.876 14.213 1.00 0.00 H new ATOM 0 HH TYR A 7 1.157 7.647 13.859 1.00 0.00 H new ATOM 118 N THR A 8 -6.961 9.023 15.679 1.00 0.00 N ATOM 119 CA THR A 8 -8.248 9.661 15.488 1.00 0.00 C ATOM 120 C THR A 8 -8.833 9.209 14.153 1.00 0.00 C ATOM 121 O THR A 8 -8.244 9.464 13.103 1.00 0.00 O ATOM 122 CB THR A 8 -8.069 11.192 15.500 1.00 0.00 C ATOM 123 OG1 THR A 8 -7.328 11.577 16.665 1.00 0.00 O ATOM 124 CG2 THR A 8 -9.403 11.918 15.485 1.00 0.00 C ATOM 0 H THR A 8 -6.165 9.634 15.497 1.00 0.00 H new ATOM 0 HA THR A 8 -8.928 9.380 16.293 1.00 0.00 H new ATOM 0 HB THR A 8 -7.527 11.472 14.597 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.212 12.550 16.672 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.232 12.994 15.494 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.955 11.646 14.585 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.981 11.635 16.365 1.00 0.00 H new ATOM 132 N ASP A 9 -9.972 8.524 14.188 1.00 0.00 N ATOM 133 CA ASP A 9 -10.530 7.937 12.969 1.00 0.00 C ATOM 134 C ASP A 9 -11.011 9.017 12.006 1.00 0.00 C ATOM 135 O ASP A 9 -10.907 8.852 10.791 1.00 0.00 O ATOM 136 CB ASP A 9 -11.651 6.928 13.274 1.00 0.00 C ATOM 137 CG ASP A 9 -12.968 7.563 13.675 1.00 0.00 C ATOM 138 OD1 ASP A 9 -13.184 7.779 14.887 1.00 0.00 O ATOM 139 OD2 ASP A 9 -13.810 7.807 12.787 1.00 0.00 O ATOM 0 H ASP A 9 -10.521 8.362 15.032 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.725 7.386 12.483 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.814 6.306 12.394 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.321 6.267 14.075 1.00 0.00 H new ATOM 144 N GLU A 10 -11.510 10.132 12.537 1.00 0.00 N ATOM 145 CA GLU A 10 -11.871 11.259 11.684 1.00 0.00 C ATOM 146 C GLU A 10 -10.615 11.810 11.028 1.00 0.00 C ATOM 147 O GLU A 10 -10.603 12.111 9.839 1.00 0.00 O ATOM 148 CB GLU A 10 -12.554 12.387 12.465 1.00 0.00 C ATOM 149 CG GLU A 10 -13.572 11.921 13.488 1.00 0.00 C ATOM 150 CD GLU A 10 -12.963 11.764 14.860 1.00 0.00 C ATOM 151 OE1 GLU A 10 -12.387 10.697 15.142 1.00 0.00 O ATOM 152 OE2 GLU A 10 -13.048 12.722 15.659 1.00 0.00 O ATOM 0 H GLU A 10 -11.671 10.277 13.534 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.577 10.893 10.939 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.789 12.973 12.974 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.048 13.053 11.758 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.392 12.637 13.535 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.997 10.969 13.169 1.00 0.00 H new ATOM 159 N GLN A 11 -9.556 11.919 11.824 1.00 0.00 N ATOM 160 CA GLN A 11 -8.269 12.416 11.351 1.00 0.00 C ATOM 161 C GLN A 11 -7.772 11.574 10.186 1.00 0.00 C ATOM 162 O GLN A 11 -7.410 12.105 9.138 1.00 0.00 O ATOM 163 CB GLN A 11 -7.253 12.394 12.499 1.00 0.00 C ATOM 164 CG GLN A 11 -5.882 12.969 12.165 1.00 0.00 C ATOM 165 CD GLN A 11 -5.916 14.449 11.836 1.00 0.00 C ATOM 166 OE1 GLN A 11 -6.869 14.955 11.244 1.00 0.00 O ATOM 167 NE2 GLN A 11 -4.885 15.162 12.248 1.00 0.00 N ATOM 0 H GLN A 11 -9.566 11.666 12.812 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.390 13.442 11.004 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.667 12.950 13.340 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.126 11.363 12.830 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.212 12.807 13.010 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.464 12.425 11.318 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.113 14.708 12.736 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.860 16.168 12.079 1.00 0.00 H new ATOM 176 N VAL A 12 -7.777 10.259 10.373 1.00 0.00 N ATOM 177 CA VAL A 12 -7.381 9.332 9.323 1.00 0.00 C ATOM 178 C VAL A 12 -8.279 9.491 8.100 1.00 0.00 C ATOM 179 O VAL A 12 -7.799 9.520 6.966 1.00 0.00 O ATOM 180 CB VAL A 12 -7.430 7.868 9.812 1.00 0.00 C ATOM 181 CG1 VAL A 12 -7.105 6.907 8.679 1.00 0.00 C ATOM 182 CG2 VAL A 12 -6.476 7.663 10.979 1.00 0.00 C ATOM 0 H VAL A 12 -8.053 9.811 11.247 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.353 9.570 9.051 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.443 7.657 10.154 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.146 5.882 9.048 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.831 7.033 7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.105 7.116 8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.524 6.626 11.310 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.459 7.896 10.663 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.760 8.320 11.801 1.00 0.00 H new ATOM 192 N GLU A 13 -9.580 9.619 8.341 1.00 0.00 N ATOM 193 CA GLU A 13 -10.545 9.780 7.263 1.00 0.00 C ATOM 194 C GLU A 13 -10.264 11.043 6.453 1.00 0.00 C ATOM 195 O GLU A 13 -10.311 11.020 5.224 1.00 0.00 O ATOM 196 CB GLU A 13 -11.970 9.838 7.817 1.00 0.00 C ATOM 197 CG GLU A 13 -13.022 10.016 6.735 1.00 0.00 C ATOM 198 CD GLU A 13 -14.395 10.310 7.286 1.00 0.00 C ATOM 199 OE1 GLU A 13 -14.715 11.501 7.492 1.00 0.00 O ATOM 200 OE2 GLU A 13 -15.171 9.360 7.498 1.00 0.00 O ATOM 0 H GLU A 13 -9.989 9.614 9.275 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.448 8.915 6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.177 8.921 8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.044 10.662 8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.721 10.829 6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.067 9.112 6.128 1.00 0.00 H new ATOM 207 N LYS A 14 -9.967 12.141 7.141 1.00 0.00 N ATOM 208 CA LYS A 14 -9.726 13.412 6.465 1.00 0.00 C ATOM 209 C LYS A 14 -8.444 13.331 5.650 1.00 0.00 C ATOM 210 O LYS A 14 -8.354 13.890 4.557 1.00 0.00 O ATOM 211 CB LYS A 14 -9.645 14.581 7.456 1.00 0.00 C ATOM 212 CG LYS A 14 -10.825 14.674 8.416 1.00 0.00 C ATOM 213 CD LYS A 14 -12.160 14.504 7.708 1.00 0.00 C ATOM 214 CE LYS A 14 -13.307 14.491 8.705 1.00 0.00 C ATOM 215 NZ LYS A 14 -14.599 14.103 8.079 1.00 0.00 N ATOM 0 H LYS A 14 -9.888 12.178 8.157 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.571 13.600 5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.727 14.487 8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.574 15.513 6.895 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.725 13.909 9.186 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.804 15.640 8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.303 15.315 6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.158 13.575 7.138 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.075 13.797 9.513 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.406 15.480 9.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.323 13.994 8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.896 14.841 7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.483 13.202 7.572 1.00 0.00 H new ATOM 229 N ILE A 15 -7.456 12.621 6.187 1.00 0.00 N ATOM 230 CA ILE A 15 -6.212 12.383 5.473 1.00 0.00 C ATOM 231 C ILE A 15 -6.482 11.578 4.207 1.00 0.00 C ATOM 232 O ILE A 15 -6.102 11.984 3.110 1.00 0.00 O ATOM 233 CB ILE A 15 -5.190 11.626 6.346 1.00 0.00 C ATOM 234 CG1 ILE A 15 -4.811 12.461 7.568 1.00 0.00 C ATOM 235 CG2 ILE A 15 -3.950 11.282 5.533 1.00 0.00 C ATOM 236 CD1 ILE A 15 -3.904 11.741 8.542 1.00 0.00 C ATOM 0 H ILE A 15 -7.496 12.201 7.116 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.791 13.355 5.216 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.648 10.698 6.689 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.318 13.374 7.234 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.721 12.762 8.087 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.238 10.748 6.163 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.231 10.652 4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.491 12.199 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.679 12.397 9.383 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.402 10.842 8.906 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.977 11.464 8.040 1.00 0.00 H new ATOM 248 N LEU A 16 -7.162 10.447 4.372 1.00 0.00 N ATOM 249 CA LEU A 16 -7.496 9.582 3.247 1.00 0.00 C ATOM 250 C LEU A 16 -8.311 10.341 2.201 1.00 0.00 C ATOM 251 O LEU A 16 -8.095 10.179 1.003 1.00 0.00 O ATOM 252 CB LEU A 16 -8.286 8.356 3.716 1.00 0.00 C ATOM 253 CG LEU A 16 -7.492 7.324 4.515 1.00 0.00 C ATOM 254 CD1 LEU A 16 -8.420 6.250 5.059 1.00 0.00 C ATOM 255 CD2 LEU A 16 -6.412 6.696 3.647 1.00 0.00 C ATOM 0 H LEU A 16 -7.493 10.109 5.276 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.560 9.251 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.122 8.697 4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.710 7.863 2.841 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.013 7.830 5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.840 5.522 5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.164 6.708 5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.922 5.749 4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.856 5.963 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.874 6.203 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.732 7.471 3.295 1.00 0.00 H new ATOM 267 N ALA A 17 -9.244 11.169 2.668 1.00 0.00 N ATOM 268 CA ALA A 17 -10.099 11.950 1.781 1.00 0.00 C ATOM 269 C ALA A 17 -9.281 12.887 0.905 1.00 0.00 C ATOM 270 O ALA A 17 -9.451 12.912 -0.313 1.00 0.00 O ATOM 271 CB ALA A 17 -11.122 12.740 2.586 1.00 0.00 C ATOM 0 H ALA A 17 -9.426 11.315 3.661 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.625 11.253 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.751 13.317 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.743 12.052 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.605 13.417 3.266 1.00 0.00 H new ATOM 277 N GLU A 18 -8.386 13.647 1.526 1.00 0.00 N ATOM 278 CA GLU A 18 -7.541 14.575 0.791 1.00 0.00 C ATOM 279 C GLU A 18 -6.643 13.827 -0.187 1.00 0.00 C ATOM 280 O GLU A 18 -6.509 14.229 -1.342 1.00 0.00 O ATOM 281 CB GLU A 18 -6.694 15.420 1.745 1.00 0.00 C ATOM 282 CG GLU A 18 -7.505 16.395 2.581 1.00 0.00 C ATOM 283 CD GLU A 18 -6.637 17.314 3.412 1.00 0.00 C ATOM 284 OE1 GLU A 18 -5.992 18.212 2.834 1.00 0.00 O ATOM 285 OE2 GLU A 18 -6.616 17.167 4.654 1.00 0.00 O ATOM 0 H GLU A 18 -8.229 13.638 2.534 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.192 15.243 0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.141 14.757 2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.957 15.977 1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.136 16.994 1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.170 15.837 3.239 1.00 0.00 H new ATOM 292 N VAL A 19 -6.051 12.727 0.272 1.00 0.00 N ATOM 293 CA VAL A 19 -5.195 11.906 -0.577 1.00 0.00 C ATOM 294 C VAL A 19 -5.976 11.366 -1.773 1.00 0.00 C ATOM 295 O VAL A 19 -5.518 11.444 -2.915 1.00 0.00 O ATOM 296 CB VAL A 19 -4.578 10.725 0.207 1.00 0.00 C ATOM 297 CG1 VAL A 19 -3.825 9.788 -0.724 1.00 0.00 C ATOM 298 CG2 VAL A 19 -3.656 11.236 1.303 1.00 0.00 C ATOM 0 H VAL A 19 -6.149 12.384 1.228 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.387 12.547 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.391 10.165 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.401 8.966 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.510 9.391 -1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.023 10.335 -1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.231 10.391 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.853 11.823 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.223 11.861 1.993 1.00 0.00 H new ATOM 308 N ALA A 20 -7.164 10.842 -1.505 1.00 0.00 N ATOM 309 CA ALA A 20 -8.020 10.310 -2.555 1.00 0.00 C ATOM 310 C ALA A 20 -8.430 11.411 -3.524 1.00 0.00 C ATOM 311 O ALA A 20 -8.544 11.179 -4.728 1.00 0.00 O ATOM 312 CB ALA A 20 -9.249 9.643 -1.956 1.00 0.00 C ATOM 0 H ALA A 20 -7.557 10.774 -0.566 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.455 9.559 -3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.877 9.251 -2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.939 8.825 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.813 10.374 -1.377 1.00 0.00 H new ATOM 318 N LEU A 21 -8.638 12.614 -3.000 1.00 0.00 N ATOM 319 CA LEU A 21 -9.000 13.749 -3.834 1.00 0.00 C ATOM 320 C LEU A 21 -7.843 14.133 -4.747 1.00 0.00 C ATOM 321 O LEU A 21 -8.055 14.540 -5.883 1.00 0.00 O ATOM 322 CB LEU A 21 -9.397 14.959 -2.995 1.00 0.00 C ATOM 323 CG LEU A 21 -9.946 16.129 -3.811 1.00 0.00 C ATOM 324 CD1 LEU A 21 -11.395 15.884 -4.209 1.00 0.00 C ATOM 325 CD2 LEU A 21 -9.801 17.431 -3.050 1.00 0.00 C ATOM 0 H LEU A 21 -8.562 12.826 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.857 13.445 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.149 14.653 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.528 15.299 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.359 16.208 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.761 16.731 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.459 14.978 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.004 15.767 -3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.198 18.249 -3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.353 17.368 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.747 17.614 -2.839 1.00 0.00 H new ATOM 337 N VAL A 22 -6.621 14.002 -4.243 1.00 0.00 N ATOM 338 CA VAL A 22 -5.433 14.267 -5.046 1.00 0.00 C ATOM 339 C VAL A 22 -5.391 13.307 -6.227 1.00 0.00 C ATOM 340 O VAL A 22 -5.077 13.693 -7.356 1.00 0.00 O ATOM 341 CB VAL A 22 -4.138 14.119 -4.216 1.00 0.00 C ATOM 342 CG1 VAL A 22 -2.908 14.286 -5.097 1.00 0.00 C ATOM 343 CG2 VAL A 22 -4.117 15.127 -3.074 1.00 0.00 C ATOM 0 H VAL A 22 -6.427 13.714 -3.284 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.491 15.296 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.119 13.115 -3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.009 14.178 -4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.913 13.525 -5.877 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.920 15.275 -5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.198 15.008 -2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.163 16.138 -3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.975 14.958 -2.423 1.00 0.00 H new ATOM 353 N LEU A 23 -5.738 12.060 -5.956 1.00 0.00 N ATOM 354 CA LEU A 23 -5.789 11.036 -6.982 1.00 0.00 C ATOM 355 C LEU A 23 -6.897 11.346 -7.983 1.00 0.00 C ATOM 356 O LEU A 23 -6.699 11.244 -9.192 1.00 0.00 O ATOM 357 CB LEU A 23 -6.012 9.666 -6.337 1.00 0.00 C ATOM 358 CG LEU A 23 -4.990 9.291 -5.259 1.00 0.00 C ATOM 359 CD1 LEU A 23 -5.322 7.940 -4.656 1.00 0.00 C ATOM 360 CD2 LEU A 23 -3.582 9.287 -5.829 1.00 0.00 C ATOM 0 H LEU A 23 -5.991 11.732 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.840 11.020 -7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.009 9.645 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.993 8.905 -7.117 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.037 10.042 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.585 7.691 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.314 7.977 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.307 7.179 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.873 9.018 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.520 8.561 -6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.341 10.279 -6.211 1.00 0.00 H new ATOM 372 N GLU A 24 -8.053 11.743 -7.468 1.00 0.00 N ATOM 373 CA GLU A 24 -9.188 12.121 -8.303 1.00 0.00 C ATOM 374 C GLU A 24 -8.829 13.344 -9.151 1.00 0.00 C ATOM 375 O GLU A 24 -9.051 13.362 -10.360 1.00 0.00 O ATOM 376 CB GLU A 24 -10.392 12.418 -7.400 1.00 0.00 C ATOM 377 CG GLU A 24 -11.749 12.088 -8.008 1.00 0.00 C ATOM 378 CD GLU A 24 -12.184 13.064 -9.080 1.00 0.00 C ATOM 379 OE1 GLU A 24 -12.508 14.219 -8.738 1.00 0.00 O ATOM 380 OE2 GLU A 24 -12.226 12.677 -10.264 1.00 0.00 O ATOM 0 H GLU A 24 -8.231 11.812 -6.466 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.441 11.304 -8.979 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.279 11.856 -6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.377 13.475 -7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.713 11.085 -8.434 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.499 12.072 -7.217 1.00 0.00 H new ATOM 387 N LYS A 25 -8.249 14.349 -8.498 1.00 0.00 N ATOM 388 CA LYS A 25 -7.797 15.574 -9.159 1.00 0.00 C ATOM 389 C LYS A 25 -6.894 15.281 -10.358 1.00 0.00 C ATOM 390 O LYS A 25 -7.014 15.916 -11.405 1.00 0.00 O ATOM 391 CB LYS A 25 -7.035 16.441 -8.152 1.00 0.00 C ATOM 392 CG LYS A 25 -6.547 17.769 -8.711 1.00 0.00 C ATOM 393 CD LYS A 25 -5.620 18.476 -7.732 1.00 0.00 C ATOM 394 CE LYS A 25 -6.301 18.728 -6.397 1.00 0.00 C ATOM 395 NZ LYS A 25 -5.406 19.427 -5.436 1.00 0.00 N ATOM 0 H LYS A 25 -8.078 14.338 -7.492 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.679 16.098 -9.527 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.681 16.636 -7.296 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.177 15.879 -7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.024 17.599 -9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.401 18.409 -8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.726 17.872 -7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.294 19.424 -8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.199 19.325 -6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.621 17.778 -5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.794 19.341 -4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.459 18.997 -5.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.338 20.433 -5.693 1.00 0.00 H new ATOM 409 N HIS A 26 -5.988 14.319 -10.207 1.00 0.00 N ATOM 410 CA HIS A 26 -5.015 14.026 -11.257 1.00 0.00 C ATOM 411 C HIS A 26 -5.445 12.836 -12.109 1.00 0.00 C ATOM 412 O HIS A 26 -4.670 12.356 -12.936 1.00 0.00 O ATOM 413 CB HIS A 26 -3.628 13.759 -10.662 1.00 0.00 C ATOM 414 CG HIS A 26 -2.981 14.963 -10.044 1.00 0.00 C ATOM 415 ND1 HIS A 26 -2.286 15.905 -10.774 1.00 0.00 N ATOM 416 CD2 HIS A 26 -2.917 15.370 -8.754 1.00 0.00 C ATOM 417 CE1 HIS A 26 -1.822 16.834 -9.960 1.00 0.00 C ATOM 418 NE2 HIS A 26 -2.190 16.532 -8.733 1.00 0.00 N ATOM 0 H HIS A 26 -5.906 13.733 -9.376 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.965 14.907 -11.897 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.714 12.978 -9.906 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.977 13.373 -11.446 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.356 14.873 -7.902 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.239 17.696 -10.251 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -1.969 17.076 -7.899 1.00 0.00 H new ATOM 427 N ALA A 27 -6.679 12.372 -11.903 1.00 0.00 N ATOM 428 CA ALA A 27 -7.235 11.245 -12.661 1.00 0.00 C ATOM 429 C ALA A 27 -6.354 10.000 -12.534 1.00 0.00 C ATOM 430 O ALA A 27 -6.126 9.278 -13.508 1.00 0.00 O ATOM 431 CB ALA A 27 -7.426 11.633 -14.123 1.00 0.00 C ATOM 0 H ALA A 27 -7.319 12.762 -11.211 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.209 10.999 -12.239 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.839 10.787 -14.673 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.111 12.478 -14.189 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.464 11.911 -14.554 1.00 0.00 H new ATOM 437 N ALA A 28 -5.885 9.746 -11.318 1.00 0.00 N ATOM 438 CA ALA A 28 -4.985 8.633 -11.052 1.00 0.00 C ATOM 439 C ALA A 28 -5.690 7.290 -11.204 1.00 0.00 C ATOM 440 O ALA A 28 -6.619 6.967 -10.454 1.00 0.00 O ATOM 441 CB ALA A 28 -4.383 8.760 -9.661 1.00 0.00 C ATOM 0 H ALA A 28 -6.116 10.302 -10.495 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.185 8.672 -11.791 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.712 7.921 -9.477 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.824 9.693 -9.590 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.180 8.757 -8.918 1.00 0.00 H new ATOM 447 N SER A 29 -5.237 6.520 -12.185 1.00 0.00 N ATOM 448 CA SER A 29 -5.756 5.183 -12.441 1.00 0.00 C ATOM 449 C SER A 29 -5.476 4.265 -11.253 1.00 0.00 C ATOM 450 O SER A 29 -4.576 4.540 -10.461 1.00 0.00 O ATOM 451 CB SER A 29 -5.089 4.623 -13.700 1.00 0.00 C ATOM 452 OG SER A 29 -5.059 5.594 -14.730 1.00 0.00 O ATOM 0 H SER A 29 -4.498 6.806 -12.827 1.00 0.00 H new ATOM 0 HA SER A 29 -6.835 5.237 -12.586 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.074 4.303 -13.467 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.631 3.741 -14.042 1.00 0.00 H new ATOM 0 HG SER A 29 -4.627 5.215 -15.524 1.00 0.00 H new ATOM 458 N PRO A 30 -6.246 3.171 -11.106 1.00 0.00 N ATOM 459 CA PRO A 30 -6.034 2.178 -10.045 1.00 0.00 C ATOM 460 C PRO A 30 -4.575 1.726 -9.956 1.00 0.00 C ATOM 461 O PRO A 30 -4.015 1.620 -8.864 1.00 0.00 O ATOM 462 CB PRO A 30 -6.934 1.014 -10.467 1.00 0.00 C ATOM 463 CG PRO A 30 -8.022 1.647 -11.263 1.00 0.00 C ATOM 464 CD PRO A 30 -7.399 2.823 -11.963 1.00 0.00 C ATOM 0 HA PRO A 30 -6.266 2.577 -9.058 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.384 0.283 -11.059 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.333 0.487 -9.600 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.439 0.942 -11.982 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.841 1.967 -10.618 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.083 2.566 -12.974 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.099 3.654 -12.049 1.00 0.00 H new ATOM 472 N GLU A 31 -3.971 1.477 -11.114 1.00 0.00 N ATOM 473 CA GLU A 31 -2.567 1.086 -11.197 1.00 0.00 C ATOM 474 C GLU A 31 -1.679 2.151 -10.557 1.00 0.00 C ATOM 475 O GLU A 31 -0.872 1.860 -9.673 1.00 0.00 O ATOM 476 CB GLU A 31 -2.142 0.883 -12.658 1.00 0.00 C ATOM 477 CG GLU A 31 -3.078 -0.006 -13.468 1.00 0.00 C ATOM 478 CD GLU A 31 -4.233 0.759 -14.091 1.00 0.00 C ATOM 479 OE1 GLU A 31 -5.210 1.056 -13.382 1.00 0.00 O ATOM 480 OE2 GLU A 31 -4.165 1.070 -15.298 1.00 0.00 O ATOM 0 H GLU A 31 -4.439 1.540 -12.018 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.450 0.145 -10.659 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.075 1.857 -13.143 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.142 0.449 -12.676 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.509 -0.500 -14.256 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.475 -0.790 -12.823 1.00 0.00 H new ATOM 487 N LEU A 32 -1.854 3.389 -11.004 1.00 0.00 N ATOM 488 CA LEU A 32 -1.091 4.519 -10.489 1.00 0.00 C ATOM 489 C LEU A 32 -1.388 4.743 -9.009 1.00 0.00 C ATOM 490 O LEU A 32 -0.514 5.147 -8.245 1.00 0.00 O ATOM 491 CB LEU A 32 -1.422 5.776 -11.299 1.00 0.00 C ATOM 492 CG LEU A 32 -0.803 7.082 -10.793 1.00 0.00 C ATOM 493 CD1 LEU A 32 0.713 6.985 -10.754 1.00 0.00 C ATOM 494 CD2 LEU A 32 -1.240 8.245 -11.671 1.00 0.00 C ATOM 0 H LEU A 32 -2.526 3.637 -11.730 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.028 4.300 -10.589 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.097 5.618 -12.327 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.505 5.895 -11.321 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.156 7.257 -9.777 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.129 7.925 -10.391 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.009 6.176 -10.086 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.091 6.784 -11.757 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.793 9.168 -11.301 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.914 8.070 -12.696 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.326 8.332 -11.646 1.00 0.00 H new ATOM 506 N THR A 33 -2.619 4.462 -8.610 1.00 0.00 N ATOM 507 CA THR A 33 -3.026 4.618 -7.224 1.00 0.00 C ATOM 508 C THR A 33 -2.214 3.704 -6.312 1.00 0.00 C ATOM 509 O THR A 33 -1.695 4.136 -5.280 1.00 0.00 O ATOM 510 CB THR A 33 -4.524 4.314 -7.048 1.00 0.00 C ATOM 511 OG1 THR A 33 -5.301 5.152 -7.914 1.00 0.00 O ATOM 512 CG2 THR A 33 -4.949 4.527 -5.604 1.00 0.00 C ATOM 0 H THR A 33 -3.355 4.124 -9.230 1.00 0.00 H new ATOM 0 HA THR A 33 -2.841 5.656 -6.947 1.00 0.00 H new ATOM 0 HB THR A 33 -4.696 3.270 -7.310 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.164 4.877 -8.845 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.012 4.307 -5.501 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.377 3.865 -4.955 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.764 5.563 -5.319 1.00 0.00 H new ATOM 520 N LEU A 34 -2.091 2.443 -6.704 1.00 0.00 N ATOM 521 CA LEU A 34 -1.322 1.491 -5.923 1.00 0.00 C ATOM 522 C LEU A 34 0.161 1.815 -6.013 1.00 0.00 C ATOM 523 O LEU A 34 0.924 1.538 -5.088 1.00 0.00 O ATOM 524 CB LEU A 34 -1.573 0.061 -6.387 1.00 0.00 C ATOM 525 CG LEU A 34 -2.056 -0.884 -5.289 1.00 0.00 C ATOM 526 CD1 LEU A 34 -3.556 -0.749 -5.084 1.00 0.00 C ATOM 527 CD2 LEU A 34 -1.670 -2.315 -5.622 1.00 0.00 C ATOM 0 H LEU A 34 -2.511 2.060 -7.551 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.645 1.571 -4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.313 0.076 -7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.652 -0.337 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.570 -0.611 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.879 -1.431 -4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.793 0.275 -4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.073 -0.994 -6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.020 -2.979 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.127 -2.604 -6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.586 -2.389 -5.705 1.00 0.00 H new ATOM 539 N MET A 35 0.564 2.405 -7.134 1.00 0.00 N ATOM 540 CA MET A 35 1.933 2.867 -7.301 1.00 0.00 C ATOM 541 C MET A 35 2.262 3.908 -6.238 1.00 0.00 C ATOM 542 O MET A 35 3.345 3.890 -5.653 1.00 0.00 O ATOM 543 CB MET A 35 2.139 3.466 -8.692 1.00 0.00 C ATOM 544 CG MET A 35 3.570 3.896 -8.956 1.00 0.00 C ATOM 545 SD MET A 35 3.744 4.828 -10.486 1.00 0.00 S ATOM 546 CE MET A 35 3.062 3.670 -11.667 1.00 0.00 C ATOM 0 H MET A 35 -0.040 2.573 -7.939 1.00 0.00 H new ATOM 0 HA MET A 35 2.600 2.012 -7.191 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.843 2.733 -9.443 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.481 4.327 -8.810 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.922 4.504 -8.123 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.208 3.013 -8.998 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.437 3.904 -12.664 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.359 2.657 -11.396 1.00 0.00 H new ATOM 0 HE3 MET A 35 1.974 3.743 -11.662 1.00 0.00 H new ATOM 556 N ILE A 36 1.315 4.808 -5.991 1.00 0.00 N ATOM 557 CA ILE A 36 1.458 5.806 -4.938 1.00 0.00 C ATOM 558 C ILE A 36 1.656 5.117 -3.593 1.00 0.00 C ATOM 559 O ILE A 36 2.590 5.433 -2.858 1.00 0.00 O ATOM 560 CB ILE A 36 0.228 6.745 -4.855 1.00 0.00 C ATOM 561 CG1 ILE A 36 0.013 7.483 -6.180 1.00 0.00 C ATOM 562 CG2 ILE A 36 0.382 7.746 -3.720 1.00 0.00 C ATOM 563 CD1 ILE A 36 1.233 8.234 -6.667 1.00 0.00 C ATOM 0 H ILE A 36 0.438 4.866 -6.508 1.00 0.00 H new ATOM 0 HA ILE A 36 2.330 6.413 -5.183 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.647 6.126 -4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.287 6.763 -6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.812 8.186 -6.064 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.495 8.393 -3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.478 7.212 -2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.273 8.351 -3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.002 8.730 -7.610 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.522 8.979 -5.926 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.055 7.534 -6.817 1.00 0.00 H new ATOM 575 N ALA A 37 0.789 4.154 -3.297 1.00 0.00 N ATOM 576 CA ALA A 37 0.875 3.395 -2.052 1.00 0.00 C ATOM 577 C ALA A 37 2.226 2.694 -1.927 1.00 0.00 C ATOM 578 O ALA A 37 2.876 2.757 -0.880 1.00 0.00 O ATOM 579 CB ALA A 37 -0.259 2.383 -1.971 1.00 0.00 C ATOM 0 H ALA A 37 0.016 3.879 -3.904 1.00 0.00 H new ATOM 0 HA ALA A 37 0.782 4.095 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.182 1.825 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.215 2.905 -2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.192 1.694 -2.813 1.00 0.00 H new ATOM 585 N GLY A 38 2.643 2.030 -3.002 1.00 0.00 N ATOM 586 CA GLY A 38 3.943 1.386 -3.033 1.00 0.00 C ATOM 587 C GLY A 38 5.080 2.358 -2.779 1.00 0.00 C ATOM 588 O GLY A 38 6.010 2.050 -2.030 1.00 0.00 O ATOM 0 H GLY A 38 2.098 1.927 -3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.971 0.595 -2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.086 0.910 -4.003 1.00 0.00 H new ATOM 592 N ASN A 39 5.003 3.532 -3.397 1.00 0.00 N ATOM 593 CA ASN A 39 6.008 4.574 -3.195 1.00 0.00 C ATOM 594 C ASN A 39 6.037 5.019 -1.744 1.00 0.00 C ATOM 595 O ASN A 39 7.109 5.195 -1.164 1.00 0.00 O ATOM 596 CB ASN A 39 5.747 5.782 -4.101 1.00 0.00 C ATOM 597 CG ASN A 39 6.386 5.640 -5.468 1.00 0.00 C ATOM 598 OD1 ASN A 39 7.533 6.032 -5.669 1.00 0.00 O ATOM 599 ND2 ASN A 39 5.653 5.082 -6.418 1.00 0.00 N ATOM 0 H ASN A 39 4.256 3.787 -4.042 1.00 0.00 H new ATOM 0 HA ASN A 39 6.977 4.148 -3.457 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.672 5.916 -4.220 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.129 6.682 -3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.037 4.965 -7.356 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.704 4.769 -6.212 1.00 0.00 H new ATOM 606 N ILE A 40 4.857 5.196 -1.162 1.00 0.00 N ATOM 607 CA ILE A 40 4.744 5.573 0.240 1.00 0.00 C ATOM 608 C ILE A 40 5.429 4.538 1.126 1.00 0.00 C ATOM 609 O ILE A 40 6.337 4.871 1.889 1.00 0.00 O ATOM 610 CB ILE A 40 3.267 5.728 0.675 1.00 0.00 C ATOM 611 CG1 ILE A 40 2.599 6.861 -0.109 1.00 0.00 C ATOM 612 CG2 ILE A 40 3.170 5.988 2.174 1.00 0.00 C ATOM 613 CD1 ILE A 40 1.119 7.013 0.176 1.00 0.00 C ATOM 0 H ILE A 40 3.964 5.084 -1.641 1.00 0.00 H new ATOM 0 HA ILE A 40 5.237 6.538 0.356 1.00 0.00 H new ATOM 0 HB ILE A 40 2.745 4.797 0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.103 7.799 0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.738 6.683 -1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.123 6.094 2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.611 5.152 2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.707 6.904 2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.717 7.835 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.601 6.090 -0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.972 7.223 1.235 1.00 0.00 H new ATOM 625 N ALA A 41 5.008 3.281 0.997 1.00 0.00 N ATOM 626 CA ALA A 41 5.567 2.202 1.796 1.00 0.00 C ATOM 627 C ALA A 41 7.079 2.112 1.621 1.00 0.00 C ATOM 628 O ALA A 41 7.813 1.998 2.599 1.00 0.00 O ATOM 629 CB ALA A 41 4.907 0.880 1.435 1.00 0.00 C ATOM 0 H ALA A 41 4.280 2.989 0.345 1.00 0.00 H new ATOM 0 HA ALA A 41 5.365 2.419 2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.336 0.082 2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.836 0.944 1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.076 0.665 0.380 1.00 0.00 H new ATOM 635 N THR A 42 7.539 2.192 0.378 1.00 0.00 N ATOM 636 CA THR A 42 8.964 2.105 0.082 1.00 0.00 C ATOM 637 C THR A 42 9.742 3.234 0.762 1.00 0.00 C ATOM 638 O THR A 42 10.784 2.995 1.374 1.00 0.00 O ATOM 639 CB THR A 42 9.220 2.134 -1.440 1.00 0.00 C ATOM 640 OG1 THR A 42 8.525 1.048 -2.070 1.00 0.00 O ATOM 641 CG2 THR A 42 10.705 2.030 -1.751 1.00 0.00 C ATOM 0 H THR A 42 6.945 2.317 -0.442 1.00 0.00 H new ATOM 0 HA THR A 42 9.318 1.153 0.477 1.00 0.00 H new ATOM 0 HB THR A 42 8.852 3.085 -1.826 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.602 1.317 -2.261 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.853 2.053 -2.831 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.232 2.868 -1.294 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.096 1.094 -1.351 1.00 0.00 H new ATOM 649 N ASN A 43 9.225 4.458 0.683 1.00 0.00 N ATOM 650 CA ASN A 43 9.897 5.603 1.296 1.00 0.00 C ATOM 651 C ASN A 43 9.894 5.484 2.814 1.00 0.00 C ATOM 652 O ASN A 43 10.857 5.877 3.477 1.00 0.00 O ATOM 653 CB ASN A 43 9.258 6.930 0.866 1.00 0.00 C ATOM 654 CG ASN A 43 9.779 7.427 -0.472 1.00 0.00 C ATOM 655 OD1 ASN A 43 10.776 8.148 -0.532 1.00 0.00 O ATOM 656 ND2 ASN A 43 9.114 7.049 -1.549 1.00 0.00 N ATOM 0 H ASN A 43 8.352 4.682 0.206 1.00 0.00 H new ATOM 0 HA ASN A 43 10.929 5.599 0.946 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.177 6.805 0.806 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.450 7.685 1.629 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.422 7.355 -2.472 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.293 6.451 -1.458 1.00 0.00 H new ATOM 663 N VAL A 44 8.818 4.936 3.368 1.00 0.00 N ATOM 664 CA VAL A 44 8.763 4.669 4.798 1.00 0.00 C ATOM 665 C VAL A 44 9.798 3.614 5.167 1.00 0.00 C ATOM 666 O VAL A 44 10.545 3.782 6.131 1.00 0.00 O ATOM 667 CB VAL A 44 7.363 4.201 5.251 1.00 0.00 C ATOM 668 CG1 VAL A 44 7.357 3.862 6.737 1.00 0.00 C ATOM 669 CG2 VAL A 44 6.326 5.267 4.950 1.00 0.00 C ATOM 0 H VAL A 44 7.979 4.670 2.852 1.00 0.00 H new ATOM 0 HA VAL A 44 8.981 5.605 5.313 1.00 0.00 H new ATOM 0 HB VAL A 44 7.110 3.299 4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.360 3.535 7.032 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.073 3.063 6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.634 4.745 7.313 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.345 4.922 5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.582 6.184 5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.305 5.462 3.878 1.00 0.00 H new ATOM 679 N LEU A 45 9.860 2.549 4.368 1.00 0.00 N ATOM 680 CA LEU A 45 10.803 1.457 4.593 1.00 0.00 C ATOM 681 C LEU A 45 12.245 1.935 4.482 1.00 0.00 C ATOM 682 O LEU A 45 13.148 1.340 5.065 1.00 0.00 O ATOM 683 CB LEU A 45 10.565 0.317 3.600 1.00 0.00 C ATOM 684 CG LEU A 45 9.226 -0.409 3.744 1.00 0.00 C ATOM 685 CD1 LEU A 45 9.094 -1.502 2.694 1.00 0.00 C ATOM 686 CD2 LEU A 45 9.081 -0.992 5.142 1.00 0.00 C ATOM 0 H LEU A 45 9.262 2.420 3.552 1.00 0.00 H new ATOM 0 HA LEU A 45 10.635 1.091 5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.635 0.718 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.368 -0.412 3.710 1.00 0.00 H new ATOM 0 HG LEU A 45 8.426 0.315 3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.135 -2.007 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.150 -1.060 1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.902 -2.224 2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.122 -1.504 5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.888 -1.701 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.128 -0.189 5.878 1.00 0.00 H new ATOM 698 N ASN A 46 12.454 3.002 3.723 1.00 0.00 N ATOM 699 CA ASN A 46 13.786 3.568 3.548 1.00 0.00 C ATOM 700 C ASN A 46 14.138 4.534 4.677 1.00 0.00 C ATOM 701 O ASN A 46 15.152 4.370 5.359 1.00 0.00 O ATOM 702 CB ASN A 46 13.896 4.299 2.202 1.00 0.00 C ATOM 703 CG ASN A 46 14.142 3.373 1.020 1.00 0.00 C ATOM 704 OD1 ASN A 46 13.648 2.148 1.095 1.00 0.00 O flip ATOM 705 ND2 ASN A 46 14.773 3.765 0.038 1.00 0.00 N flip ATOM 0 H ASN A 46 11.717 3.494 3.218 1.00 0.00 H new ATOM 0 HA ASN A 46 14.491 2.737 3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.978 4.860 2.027 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.707 5.025 2.258 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.140 4.716 0.014 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.929 3.138 -0.751 1.00 0.00 H new ATOM 712 N GLN A 47 13.293 5.538 4.876 1.00 0.00 N ATOM 713 CA GLN A 47 13.626 6.647 5.763 1.00 0.00 C ATOM 714 C GLN A 47 13.118 6.453 7.190 1.00 0.00 C ATOM 715 O GLN A 47 13.903 6.440 8.141 1.00 0.00 O ATOM 716 CB GLN A 47 13.042 7.950 5.213 1.00 0.00 C ATOM 717 CG GLN A 47 13.628 8.391 3.882 1.00 0.00 C ATOM 718 CD GLN A 47 12.993 9.673 3.381 1.00 0.00 C ATOM 719 OE1 GLN A 47 12.552 10.509 4.170 1.00 0.00 O ATOM 720 NE2 GLN A 47 12.944 9.843 2.071 1.00 0.00 N ATOM 0 H GLN A 47 12.375 5.608 4.437 1.00 0.00 H new ATOM 0 HA GLN A 47 14.715 6.688 5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.964 7.831 5.100 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.200 8.742 5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.703 8.536 3.989 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.485 7.602 3.143 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.320 9.127 1.449 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.530 10.690 1.682 1.00 0.00 H new ATOM 729 N ARG A 48 11.807 6.308 7.333 1.00 0.00 N ATOM 730 CA ARG A 48 11.156 6.486 8.630 1.00 0.00 C ATOM 731 C ARG A 48 11.113 5.214 9.480 1.00 0.00 C ATOM 732 O ARG A 48 11.091 5.298 10.709 1.00 0.00 O ATOM 733 CB ARG A 48 9.734 7.027 8.433 1.00 0.00 C ATOM 734 CG ARG A 48 9.689 8.437 7.860 1.00 0.00 C ATOM 735 CD ARG A 48 8.262 8.955 7.749 1.00 0.00 C ATOM 736 NE ARG A 48 8.211 10.346 7.285 1.00 0.00 N ATOM 737 CZ ARG A 48 7.280 11.227 7.664 1.00 0.00 C ATOM 738 NH1 ARG A 48 6.296 10.857 8.478 1.00 0.00 N ATOM 739 NH2 ARG A 48 7.324 12.474 7.211 1.00 0.00 N ATOM 0 H ARG A 48 11.173 6.068 6.571 1.00 0.00 H new ATOM 0 HA ARG A 48 11.765 7.203 9.180 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.189 6.357 7.768 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.215 7.017 9.392 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.271 9.106 8.494 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.156 8.445 6.875 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.701 8.323 7.060 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.774 8.880 8.721 1.00 0.00 H new ATOM 0 HE ARG A 48 8.930 10.660 6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.249 9.896 8.817 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.589 11.534 8.764 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.068 12.759 6.574 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.614 13.147 7.500 1.00 0.00 H new ATOM 753 N VAL A 49 11.094 4.050 8.850 1.00 0.00 N ATOM 754 CA VAL A 49 10.932 2.803 9.592 1.00 0.00 C ATOM 755 C VAL A 49 12.244 2.363 10.242 1.00 0.00 C ATOM 756 O VAL A 49 13.331 2.788 9.835 1.00 0.00 O ATOM 757 CB VAL A 49 10.401 1.665 8.692 1.00 0.00 C ATOM 758 CG1 VAL A 49 11.512 1.072 7.843 1.00 0.00 C ATOM 759 CG2 VAL A 49 9.719 0.588 9.525 1.00 0.00 C ATOM 0 H VAL A 49 11.187 3.939 7.840 1.00 0.00 H new ATOM 0 HA VAL A 49 10.198 3.003 10.373 1.00 0.00 H new ATOM 0 HB VAL A 49 9.659 2.092 8.017 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.108 0.274 7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.938 1.848 7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 49 12.289 0.668 8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.354 -0.202 8.869 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.433 0.170 10.234 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.881 1.025 10.069 1.00 0.00 H new ATOM 769 N ALA A 50 12.127 1.519 11.259 1.00 0.00 N ATOM 770 CA ALA A 50 13.285 0.955 11.934 1.00 0.00 C ATOM 771 C ALA A 50 14.012 -0.032 11.026 1.00 0.00 C ATOM 772 O ALA A 50 13.382 -0.853 10.358 1.00 0.00 O ATOM 773 CB ALA A 50 12.859 0.277 13.226 1.00 0.00 C ATOM 0 H ALA A 50 11.232 1.209 11.636 1.00 0.00 H new ATOM 0 HA ALA A 50 13.974 1.765 12.174 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.734 -0.142 13.723 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.385 1.008 13.881 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.152 -0.522 13.002 1.00 0.00 H new ATOM 779 N ALA A 51 15.335 0.064 11.006 1.00 0.00 N ATOM 780 CA ALA A 51 16.180 -0.776 10.159 1.00 0.00 C ATOM 781 C ALA A 51 15.882 -2.267 10.310 1.00 0.00 C ATOM 782 O ALA A 51 15.805 -2.990 9.315 1.00 0.00 O ATOM 783 CB ALA A 51 17.646 -0.503 10.456 1.00 0.00 C ATOM 0 H ALA A 51 15.857 0.728 11.578 1.00 0.00 H new ATOM 0 HA ALA A 51 15.954 -0.514 9.125 1.00 0.00 H new ATOM 0 HB1 ALA A 51 18.269 -1.133 9.821 1.00 0.00 H new ATOM 0 HB2 ALA A 51 17.868 0.545 10.258 1.00 0.00 H new ATOM 0 HB3 ALA A 51 17.853 -0.726 11.503 1.00 0.00 H new ATOM 789 N SER A 52 15.710 -2.729 11.540 1.00 0.00 N ATOM 790 CA SER A 52 15.470 -4.145 11.787 1.00 0.00 C ATOM 791 C SER A 52 13.975 -4.469 11.708 1.00 0.00 C ATOM 792 O SER A 52 13.563 -5.609 11.927 1.00 0.00 O ATOM 793 CB SER A 52 16.039 -4.550 13.152 1.00 0.00 C ATOM 794 OG SER A 52 15.939 -5.947 13.367 1.00 0.00 O ATOM 0 H SER A 52 15.732 -2.149 12.379 1.00 0.00 H new ATOM 0 HA SER A 52 15.979 -4.719 11.013 1.00 0.00 H new ATOM 0 HB2 SER A 52 17.084 -4.246 13.216 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.504 -4.021 13.941 1.00 0.00 H new ATOM 0 HG SER A 52 15.176 -6.301 12.865 1.00 0.00 H new ATOM 800 N GLN A 53 13.167 -3.472 11.373 1.00 0.00 N ATOM 801 CA GLN A 53 11.728 -3.663 11.269 1.00 0.00 C ATOM 802 C GLN A 53 11.291 -3.633 9.811 1.00 0.00 C ATOM 803 O GLN A 53 10.170 -4.015 9.489 1.00 0.00 O ATOM 804 CB GLN A 53 10.993 -2.571 12.053 1.00 0.00 C ATOM 805 CG GLN A 53 9.506 -2.840 12.236 1.00 0.00 C ATOM 806 CD GLN A 53 9.230 -4.087 13.059 1.00 0.00 C ATOM 807 OE1 GLN A 53 10.107 -4.380 14.009 1.00 0.00 O flip ATOM 808 NE2 GLN A 53 8.228 -4.773 12.850 1.00 0.00 N flip ATOM 0 H GLN A 53 13.484 -2.524 11.169 1.00 0.00 H new ATOM 0 HA GLN A 53 11.478 -4.636 11.691 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.457 -2.466 13.034 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.120 -1.619 11.537 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.043 -1.981 12.721 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.037 -2.945 11.258 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.577 -4.513 12.109 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.049 -5.601 13.418 1.00 0.00 H new ATOM 817 N ARG A 54 12.198 -3.202 8.934 1.00 0.00 N ATOM 818 CA ARG A 54 11.875 -2.979 7.523 1.00 0.00 C ATOM 819 C ARG A 54 11.169 -4.188 6.900 1.00 0.00 C ATOM 820 O ARG A 54 10.074 -4.059 6.354 1.00 0.00 O ATOM 821 CB ARG A 54 13.141 -2.656 6.718 1.00 0.00 C ATOM 822 CG ARG A 54 13.986 -1.532 7.299 1.00 0.00 C ATOM 823 CD ARG A 54 15.079 -1.105 6.327 1.00 0.00 C ATOM 824 NE ARG A 54 16.184 -0.397 6.989 1.00 0.00 N ATOM 825 CZ ARG A 54 16.362 0.930 6.949 1.00 0.00 C ATOM 826 NH1 ARG A 54 15.449 1.710 6.399 1.00 0.00 N ATOM 827 NH2 ARG A 54 17.443 1.479 7.493 1.00 0.00 N ATOM 0 H ARG A 54 13.168 -2.999 9.177 1.00 0.00 H new ATOM 0 HA ARG A 54 11.194 -2.128 7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.753 -3.556 6.649 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.852 -2.389 5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.350 -0.678 7.532 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.437 -1.859 8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.471 -1.986 5.818 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.647 -0.460 5.562 1.00 0.00 H new ATOM 0 HE ARG A 54 16.860 -0.953 7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.603 1.303 6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.590 2.720 6.372 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.142 0.889 7.944 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.573 2.490 7.460 1.00 0.00 H new ATOM 841 N LYS A 55 11.783 -5.361 7.003 1.00 0.00 N ATOM 842 CA LYS A 55 11.230 -6.560 6.384 1.00 0.00 C ATOM 843 C LYS A 55 9.988 -7.035 7.133 1.00 0.00 C ATOM 844 O LYS A 55 8.975 -7.374 6.517 1.00 0.00 O ATOM 845 CB LYS A 55 12.280 -7.677 6.328 1.00 0.00 C ATOM 846 CG LYS A 55 11.761 -8.980 5.726 1.00 0.00 C ATOM 847 CD LYS A 55 11.217 -8.770 4.321 1.00 0.00 C ATOM 848 CE LYS A 55 10.599 -10.039 3.756 1.00 0.00 C ATOM 849 NZ LYS A 55 11.594 -11.128 3.588 1.00 0.00 N ATOM 0 H LYS A 55 12.658 -5.507 7.506 1.00 0.00 H new ATOM 0 HA LYS A 55 10.940 -6.308 5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.133 -7.332 5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.643 -7.873 7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.566 -9.715 5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.977 -9.389 6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.469 -7.978 4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.022 -8.436 3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.802 -10.378 4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.140 -9.818 2.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.148 -11.935 3.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.393 -10.784 3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.940 -11.429 4.521 1.00 0.00 H new ATOM 863 N LEU A 56 10.063 -7.044 8.461 1.00 0.00 N ATOM 864 CA LEU A 56 8.953 -7.509 9.289 1.00 0.00 C ATOM 865 C LEU A 56 7.695 -6.685 9.055 1.00 0.00 C ATOM 866 O LEU A 56 6.612 -7.239 8.877 1.00 0.00 O ATOM 867 CB LEU A 56 9.314 -7.467 10.776 1.00 0.00 C ATOM 868 CG LEU A 56 10.271 -8.560 11.249 1.00 0.00 C ATOM 869 CD1 LEU A 56 10.498 -8.446 12.749 1.00 0.00 C ATOM 870 CD2 LEU A 56 9.721 -9.932 10.892 1.00 0.00 C ATOM 0 H LEU A 56 10.880 -6.735 8.987 1.00 0.00 H new ATOM 0 HA LEU A 56 8.756 -8.541 8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.759 -6.497 10.997 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.395 -7.536 11.358 1.00 0.00 H new ATOM 0 HG LEU A 56 11.229 -8.432 10.745 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.182 -9.230 13.074 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.928 -7.471 12.979 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.547 -8.555 13.270 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.413 -10.702 11.235 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.754 -10.073 11.374 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.602 -10.006 9.811 1.00 0.00 H new ATOM 882 N ILE A 57 7.833 -5.370 9.053 1.00 0.00 N ATOM 883 CA ILE A 57 6.676 -4.502 8.931 1.00 0.00 C ATOM 884 C ILE A 57 6.107 -4.557 7.515 1.00 0.00 C ATOM 885 O ILE A 57 4.901 -4.419 7.318 1.00 0.00 O ATOM 886 CB ILE A 57 7.003 -3.046 9.339 1.00 0.00 C ATOM 887 CG1 ILE A 57 5.719 -2.278 9.661 1.00 0.00 C ATOM 888 CG2 ILE A 57 7.789 -2.332 8.249 1.00 0.00 C ATOM 889 CD1 ILE A 57 5.972 -0.961 10.354 1.00 0.00 C ATOM 0 H ILE A 57 8.726 -4.884 9.134 1.00 0.00 H new ATOM 0 HA ILE A 57 5.917 -4.868 9.622 1.00 0.00 H new ATOM 0 HB ILE A 57 7.624 -3.081 10.234 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.171 -2.095 8.737 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.082 -2.897 10.292 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.004 -1.311 8.565 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.725 -2.861 8.070 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.202 -2.312 7.331 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.021 -0.467 10.554 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.493 -1.139 11.294 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.584 -0.325 9.714 1.00 0.00 H new ATOM 901 N ALA A 58 6.972 -4.797 6.533 1.00 0.00 N ATOM 902 CA ALA A 58 6.527 -4.989 5.161 1.00 0.00 C ATOM 903 C ALA A 58 5.778 -6.312 5.033 1.00 0.00 C ATOM 904 O ALA A 58 4.769 -6.405 4.332 1.00 0.00 O ATOM 905 CB ALA A 58 7.709 -4.944 4.210 1.00 0.00 C ATOM 0 H ALA A 58 7.981 -4.862 6.664 1.00 0.00 H new ATOM 0 HA ALA A 58 5.846 -4.180 4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.359 -5.089 3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.204 -3.976 4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.414 -5.734 4.468 1.00 0.00 H new ATOM 911 N GLU A 59 6.278 -7.328 5.726 1.00 0.00 N ATOM 912 CA GLU A 59 5.617 -8.626 5.803 1.00 0.00 C ATOM 913 C GLU A 59 4.240 -8.487 6.453 1.00 0.00 C ATOM 914 O GLU A 59 3.248 -9.045 5.973 1.00 0.00 O ATOM 915 CB GLU A 59 6.506 -9.601 6.588 1.00 0.00 C ATOM 916 CG GLU A 59 5.778 -10.804 7.170 1.00 0.00 C ATOM 917 CD GLU A 59 5.676 -10.738 8.685 1.00 0.00 C ATOM 918 OE1 GLU A 59 6.668 -11.067 9.369 1.00 0.00 O ATOM 919 OE2 GLU A 59 4.611 -10.344 9.204 1.00 0.00 O ATOM 0 H GLU A 59 7.152 -7.276 6.250 1.00 0.00 H new ATOM 0 HA GLU A 59 5.467 -9.019 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.299 -9.957 5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.987 -9.057 7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.777 -10.862 6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.301 -11.716 6.882 1.00 0.00 H new ATOM 926 N LYS A 60 4.186 -7.722 7.535 1.00 0.00 N ATOM 927 CA LYS A 60 2.937 -7.477 8.240 1.00 0.00 C ATOM 928 C LYS A 60 1.990 -6.627 7.401 1.00 0.00 C ATOM 929 O LYS A 60 0.777 -6.832 7.432 1.00 0.00 O ATOM 930 CB LYS A 60 3.215 -6.820 9.592 1.00 0.00 C ATOM 931 CG LYS A 60 3.119 -7.791 10.759 1.00 0.00 C ATOM 932 CD LYS A 60 3.988 -7.360 11.932 1.00 0.00 C ATOM 933 CE LYS A 60 5.462 -7.607 11.650 1.00 0.00 C ATOM 934 NZ LYS A 60 5.725 -9.026 11.278 1.00 0.00 N ATOM 0 H LYS A 60 4.997 -7.259 7.944 1.00 0.00 H new ATOM 0 HA LYS A 60 2.447 -8.435 8.416 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.211 -6.378 9.576 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.507 -6.006 9.746 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.081 -7.865 11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.422 -8.785 10.430 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.827 -6.301 12.136 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.691 -7.906 12.827 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.792 -6.953 10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.049 -7.348 12.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.751 -9.191 11.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.297 -9.656 11.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.310 -9.223 10.345 1.00 0.00 H new ATOM 948 N PHE A 61 2.548 -5.684 6.650 1.00 0.00 N ATOM 949 CA PHE A 61 1.763 -4.865 5.733 1.00 0.00 C ATOM 950 C PHE A 61 1.047 -5.746 4.715 1.00 0.00 C ATOM 951 O PHE A 61 -0.163 -5.622 4.513 1.00 0.00 O ATOM 952 CB PHE A 61 2.665 -3.854 5.015 1.00 0.00 C ATOM 953 CG PHE A 61 1.986 -3.113 3.892 1.00 0.00 C ATOM 954 CD1 PHE A 61 1.085 -2.092 4.157 1.00 0.00 C ATOM 955 CD2 PHE A 61 2.252 -3.437 2.569 1.00 0.00 C ATOM 956 CE1 PHE A 61 0.466 -1.410 3.126 1.00 0.00 C ATOM 957 CE2 PHE A 61 1.634 -2.757 1.535 1.00 0.00 C ATOM 958 CZ PHE A 61 0.740 -1.744 1.814 1.00 0.00 C ATOM 0 H PHE A 61 3.545 -5.467 6.658 1.00 0.00 H new ATOM 0 HA PHE A 61 1.016 -4.319 6.310 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.033 -3.131 5.743 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.535 -4.377 4.617 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.865 -1.827 5.180 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.950 -4.230 2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.232 -0.616 3.346 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.851 -3.019 0.510 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.255 -1.213 1.008 1.00 0.00 H new ATOM 968 N ALA A 62 1.800 -6.644 4.088 1.00 0.00 N ATOM 969 CA ALA A 62 1.242 -7.553 3.096 1.00 0.00 C ATOM 970 C ALA A 62 0.159 -8.433 3.713 1.00 0.00 C ATOM 971 O ALA A 62 -0.892 -8.649 3.110 1.00 0.00 O ATOM 972 CB ALA A 62 2.340 -8.409 2.487 1.00 0.00 C ATOM 0 H ALA A 62 2.800 -6.761 4.251 1.00 0.00 H new ATOM 0 HA ALA A 62 0.785 -6.957 2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.908 -9.083 1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.077 -7.767 2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.824 -8.992 3.271 1.00 0.00 H new ATOM 978 N GLN A 63 0.415 -8.926 4.919 1.00 0.00 N ATOM 979 CA GLN A 63 -0.551 -9.764 5.619 1.00 0.00 C ATOM 980 C GLN A 63 -1.824 -8.982 5.905 1.00 0.00 C ATOM 981 O GLN A 63 -2.921 -9.428 5.578 1.00 0.00 O ATOM 982 CB GLN A 63 0.028 -10.286 6.931 1.00 0.00 C ATOM 983 CG GLN A 63 -0.891 -11.257 7.649 1.00 0.00 C ATOM 984 CD GLN A 63 -0.343 -11.702 8.991 1.00 0.00 C ATOM 985 OE1 GLN A 63 0.412 -10.832 9.647 1.00 0.00 O flip ATOM 986 NE2 GLN A 63 -0.603 -12.818 9.440 1.00 0.00 N flip ATOM 0 H GLN A 63 1.281 -8.761 5.432 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.784 -10.612 4.975 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.979 -10.778 6.730 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.239 -9.442 7.588 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.864 -10.788 7.796 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.051 -12.132 7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.188 -13.459 8.905 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.233 -13.101 10.347 1.00 0.00 H new ATOM 995 N ALA A 64 -1.669 -7.807 6.507 1.00 0.00 N ATOM 996 CA ALA A 64 -2.805 -6.968 6.858 1.00 0.00 C ATOM 997 C ALA A 64 -3.614 -6.606 5.622 1.00 0.00 C ATOM 998 O ALA A 64 -4.838 -6.516 5.678 1.00 0.00 O ATOM 999 CB ALA A 64 -2.336 -5.709 7.572 1.00 0.00 C ATOM 0 H ALA A 64 -0.763 -7.415 6.762 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.448 -7.533 7.533 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.198 -5.093 7.827 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.804 -5.984 8.483 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.669 -5.147 6.918 1.00 0.00 H new ATOM 1005 N LEU A 65 -2.921 -6.414 4.509 1.00 0.00 N ATOM 1006 CA LEU A 65 -3.572 -6.119 3.243 1.00 0.00 C ATOM 1007 C LEU A 65 -4.444 -7.295 2.811 1.00 0.00 C ATOM 1008 O LEU A 65 -5.611 -7.117 2.469 1.00 0.00 O ATOM 1009 CB LEU A 65 -2.525 -5.800 2.170 1.00 0.00 C ATOM 1010 CG LEU A 65 -3.081 -5.280 0.840 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -3.960 -4.068 1.077 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.949 -4.918 -0.112 1.00 0.00 C ATOM 0 H LEU A 65 -1.903 -6.458 4.458 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.211 -5.245 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.834 -5.058 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.945 -6.702 1.974 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.678 -6.072 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.349 -3.708 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.791 -4.342 1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.374 -3.280 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.366 -4.551 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.329 -4.142 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.340 -5.801 -0.306 1.00 0.00 H new ATOM 1024 N MET A 66 -3.877 -8.499 2.858 1.00 0.00 N ATOM 1025 CA MET A 66 -4.604 -9.709 2.481 1.00 0.00 C ATOM 1026 C MET A 66 -5.753 -9.962 3.449 1.00 0.00 C ATOM 1027 O MET A 66 -6.852 -10.338 3.045 1.00 0.00 O ATOM 1028 CB MET A 66 -3.666 -10.921 2.465 1.00 0.00 C ATOM 1029 CG MET A 66 -2.493 -10.773 1.510 1.00 0.00 C ATOM 1030 SD MET A 66 -3.007 -10.650 -0.212 1.00 0.00 S ATOM 1031 CE MET A 66 -1.477 -10.110 -0.966 1.00 0.00 C ATOM 0 H MET A 66 -2.915 -8.662 3.154 1.00 0.00 H new ATOM 0 HA MET A 66 -5.007 -9.563 1.479 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.284 -11.087 3.472 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.237 -11.808 2.190 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.922 -9.884 1.778 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.826 -11.628 1.625 1.00 0.00 H new ATOM 0 HE1 MET A 66 -1.582 -10.122 -2.051 1.00 0.00 H new ATOM 0 HE2 MET A 66 -1.246 -9.098 -0.635 1.00 0.00 H new ATOM 0 HE3 MET A 66 -0.670 -10.781 -0.672 1.00 0.00 H new ATOM 1041 N SER A 67 -5.494 -9.739 4.729 1.00 0.00 N ATOM 1042 CA SER A 67 -6.491 -9.941 5.771 1.00 0.00 C ATOM 1043 C SER A 67 -7.617 -8.907 5.689 1.00 0.00 C ATOM 1044 O SER A 67 -8.691 -9.096 6.263 1.00 0.00 O ATOM 1045 CB SER A 67 -5.815 -9.894 7.142 1.00 0.00 C ATOM 1046 OG SER A 67 -4.887 -10.956 7.280 1.00 0.00 O ATOM 0 H SER A 67 -4.591 -9.414 5.074 1.00 0.00 H new ATOM 0 HA SER A 67 -6.945 -10.921 5.623 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.304 -8.939 7.268 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.569 -9.959 7.927 1.00 0.00 H new ATOM 0 HG SER A 67 -4.067 -10.739 6.790 1.00 0.00 H new ATOM 1052 N SER A 68 -7.376 -7.816 4.975 1.00 0.00 N ATOM 1053 CA SER A 68 -8.397 -6.798 4.778 1.00 0.00 C ATOM 1054 C SER A 68 -9.014 -6.920 3.387 1.00 0.00 C ATOM 1055 O SER A 68 -9.883 -6.137 3.007 1.00 0.00 O ATOM 1056 CB SER A 68 -7.797 -5.407 4.978 1.00 0.00 C ATOM 1057 OG SER A 68 -7.198 -5.295 6.261 1.00 0.00 O ATOM 0 H SER A 68 -6.484 -7.614 4.524 1.00 0.00 H new ATOM 0 HA SER A 68 -9.186 -6.948 5.515 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.052 -5.213 4.206 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.575 -4.651 4.868 1.00 0.00 H new ATOM 0 HG SER A 68 -6.372 -5.821 6.283 1.00 0.00 H new ATOM 1063 N LEU A 69 -8.572 -7.920 2.639 1.00 0.00 N ATOM 1064 CA LEU A 69 -9.069 -8.136 1.290 1.00 0.00 C ATOM 1065 C LEU A 69 -10.357 -8.945 1.286 1.00 0.00 C ATOM 1066 O LEU A 69 -10.331 -10.177 1.352 1.00 0.00 O ATOM 1067 CB LEU A 69 -8.021 -8.838 0.426 1.00 0.00 C ATOM 1068 CG LEU A 69 -6.934 -7.929 -0.145 1.00 0.00 C ATOM 1069 CD1 LEU A 69 -5.929 -8.738 -0.949 1.00 0.00 C ATOM 1070 CD2 LEU A 69 -7.559 -6.850 -1.008 1.00 0.00 C ATOM 0 H LEU A 69 -7.870 -8.594 2.944 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.280 -7.153 0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.545 -9.617 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.529 -9.334 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.406 -7.454 0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.163 -8.073 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.463 -9.484 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.440 -9.238 -1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.776 -6.207 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.107 -7.313 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.244 -6.254 -0.406 1.00 0.00 H new ATOM 1440 N THR B 8 4.630 9.157 -16.139 1.00 0.00 N ATOM 1441 CA THR B 8 5.412 10.380 -16.174 1.00 0.00 C ATOM 1442 C THR B 8 5.906 10.767 -14.780 1.00 0.00 C ATOM 1443 O THR B 8 5.112 10.931 -13.851 1.00 0.00 O ATOM 1444 CB THR B 8 4.591 11.538 -16.772 1.00 0.00 C ATOM 1445 OG1 THR B 8 4.204 11.212 -18.112 1.00 0.00 O ATOM 1446 CG2 THR B 8 5.385 12.837 -16.774 1.00 0.00 C ATOM 0 HA THR B 8 6.278 10.192 -16.808 1.00 0.00 H new ATOM 0 HB THR B 8 3.705 11.680 -16.153 1.00 0.00 H new ATOM 0 HG1 THR B 8 4.017 10.252 -18.174 1.00 0.00 H new ATOM 0 HG21 THR B 8 4.777 13.634 -17.202 1.00 0.00 H new ATOM 0 HG22 THR B 8 5.658 13.098 -15.752 1.00 0.00 H new ATOM 0 HG23 THR B 8 6.289 12.710 -17.370 1.00 0.00 H new ATOM 1454 N ASP B 9 7.225 10.905 -14.663 1.00 0.00 N ATOM 1455 CA ASP B 9 7.881 11.259 -13.405 1.00 0.00 C ATOM 1456 C ASP B 9 7.226 12.475 -12.754 1.00 0.00 C ATOM 1457 O ASP B 9 6.883 12.445 -11.574 1.00 0.00 O ATOM 1458 CB ASP B 9 9.364 11.536 -13.664 1.00 0.00 C ATOM 1459 CG ASP B 9 10.119 11.973 -12.422 1.00 0.00 C ATOM 1460 OD1 ASP B 9 10.166 13.192 -12.151 1.00 0.00 O ATOM 1461 OD2 ASP B 9 10.702 11.105 -11.739 1.00 0.00 O ATOM 0 H ASP B 9 7.872 10.774 -15.441 1.00 0.00 H new ATOM 0 HA ASP B 9 7.777 10.420 -12.717 1.00 0.00 H new ATOM 0 HB2 ASP B 9 9.830 10.636 -14.066 1.00 0.00 H new ATOM 0 HB3 ASP B 9 9.454 12.310 -14.427 1.00 0.00 H new ATOM 1466 N GLU B 10 7.028 13.530 -13.543 1.00 0.00 N ATOM 1467 CA GLU B 10 6.427 14.762 -13.043 1.00 0.00 C ATOM 1468 C GLU B 10 5.020 14.512 -12.505 1.00 0.00 C ATOM 1469 O GLU B 10 4.677 14.969 -11.419 1.00 0.00 O ATOM 1470 CB GLU B 10 6.358 15.815 -14.147 1.00 0.00 C ATOM 1471 CG GLU B 10 5.858 17.160 -13.654 1.00 0.00 C ATOM 1472 CD GLU B 10 5.099 17.921 -14.715 1.00 0.00 C ATOM 1473 OE1 GLU B 10 5.739 18.468 -15.636 1.00 0.00 O ATOM 1474 OE2 GLU B 10 3.853 17.968 -14.636 1.00 0.00 O ATOM 0 H GLU B 10 7.276 13.555 -14.532 1.00 0.00 H new ATOM 0 HA GLU B 10 7.058 15.124 -12.232 1.00 0.00 H new ATOM 0 HB2 GLU B 10 7.349 15.940 -14.584 1.00 0.00 H new ATOM 0 HB3 GLU B 10 5.702 15.458 -14.941 1.00 0.00 H new ATOM 0 HG2 GLU B 10 5.213 17.009 -12.789 1.00 0.00 H new ATOM 0 HG3 GLU B 10 6.705 17.758 -13.319 1.00 0.00 H new ATOM 1481 N GLN B 11 4.214 13.788 -13.275 1.00 0.00 N ATOM 1482 CA GLN B 11 2.831 13.508 -12.895 1.00 0.00 C ATOM 1483 C GLN B 11 2.776 12.807 -11.542 1.00 0.00 C ATOM 1484 O GLN B 11 2.015 13.200 -10.654 1.00 0.00 O ATOM 1485 CB GLN B 11 2.147 12.643 -13.958 1.00 0.00 C ATOM 1486 CG GLN B 11 0.697 12.317 -13.636 1.00 0.00 C ATOM 1487 CD GLN B 11 0.059 11.403 -14.663 1.00 0.00 C ATOM 1488 OE1 GLN B 11 0.110 10.181 -14.541 1.00 0.00 O ATOM 1489 NE2 GLN B 11 -0.546 11.990 -15.682 1.00 0.00 N ATOM 0 H GLN B 11 4.494 13.383 -14.168 1.00 0.00 H new ATOM 0 HA GLN B 11 2.302 14.458 -12.819 1.00 0.00 H new ATOM 0 HB2 GLN B 11 2.190 13.159 -14.917 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.704 11.713 -14.071 1.00 0.00 H new ATOM 0 HG2 GLN B 11 0.645 11.846 -12.654 1.00 0.00 H new ATOM 0 HG3 GLN B 11 0.126 13.243 -13.576 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -0.566 13.008 -15.746 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -0.993 11.425 -16.404 1.00 0.00 H new ATOM 1498 N VAL B 12 3.596 11.774 -11.394 1.00 0.00 N ATOM 1499 CA VAL B 12 3.666 11.027 -10.150 1.00 0.00 C ATOM 1500 C VAL B 12 4.176 11.915 -9.021 1.00 0.00 C ATOM 1501 O VAL B 12 3.654 11.874 -7.905 1.00 0.00 O ATOM 1502 CB VAL B 12 4.571 9.786 -10.288 1.00 0.00 C ATOM 1503 CG1 VAL B 12 4.647 9.035 -8.973 1.00 0.00 C ATOM 1504 CG2 VAL B 12 4.059 8.874 -11.393 1.00 0.00 C ATOM 0 H VAL B 12 4.223 11.436 -12.124 1.00 0.00 H new ATOM 0 HA VAL B 12 2.657 10.690 -9.913 1.00 0.00 H new ATOM 0 HB VAL B 12 5.574 10.119 -10.553 1.00 0.00 H new ATOM 0 HG11 VAL B 12 5.290 8.162 -9.089 1.00 0.00 H new ATOM 0 HG12 VAL B 12 5.058 9.689 -8.204 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.648 8.713 -8.680 1.00 0.00 H new ATOM 0 HG21 VAL B 12 4.709 8.003 -11.477 1.00 0.00 H new ATOM 0 HG22 VAL B 12 3.046 8.549 -11.156 1.00 0.00 H new ATOM 0 HG23 VAL B 12 4.054 9.416 -12.339 1.00 0.00 H new ATOM 1514 N GLU B 13 5.178 12.734 -9.326 1.00 0.00 N ATOM 1515 CA GLU B 13 5.725 13.678 -8.356 1.00 0.00 C ATOM 1516 C GLU B 13 4.638 14.625 -7.855 1.00 0.00 C ATOM 1517 O GLU B 13 4.540 14.892 -6.662 1.00 0.00 O ATOM 1518 CB GLU B 13 6.863 14.488 -8.980 1.00 0.00 C ATOM 1519 CG GLU B 13 7.473 15.508 -8.034 1.00 0.00 C ATOM 1520 CD GLU B 13 8.441 16.440 -8.725 1.00 0.00 C ATOM 1521 OE1 GLU B 13 9.621 16.068 -8.886 1.00 0.00 O ATOM 1522 OE2 GLU B 13 8.027 17.554 -9.112 1.00 0.00 O ATOM 0 H GLU B 13 5.629 12.763 -10.240 1.00 0.00 H new ATOM 0 HA GLU B 13 6.114 13.107 -7.513 1.00 0.00 H new ATOM 0 HB2 GLU B 13 7.643 13.804 -9.316 1.00 0.00 H new ATOM 0 HB3 GLU B 13 6.488 15.003 -9.864 1.00 0.00 H new ATOM 0 HG2 GLU B 13 6.676 16.094 -7.575 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.990 14.986 -7.228 1.00 0.00 H new ATOM 1529 N LYS B 14 3.825 15.117 -8.781 1.00 0.00 N ATOM 1530 CA LYS B 14 2.728 16.024 -8.451 1.00 0.00 C ATOM 1531 C LYS B 14 1.800 15.379 -7.431 1.00 0.00 C ATOM 1532 O LYS B 14 1.434 15.990 -6.428 1.00 0.00 O ATOM 1533 CB LYS B 14 1.930 16.381 -9.710 1.00 0.00 C ATOM 1534 CG LYS B 14 2.705 17.192 -10.738 1.00 0.00 C ATOM 1535 CD LYS B 14 2.935 18.618 -10.268 1.00 0.00 C ATOM 1536 CE LYS B 14 3.654 19.446 -11.322 1.00 0.00 C ATOM 1537 NZ LYS B 14 2.929 19.451 -12.621 1.00 0.00 N ATOM 0 H LYS B 14 3.904 14.902 -9.775 1.00 0.00 H new ATOM 0 HA LYS B 14 3.153 16.934 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS B 14 1.583 15.460 -10.179 1.00 0.00 H new ATOM 0 HB3 LYS B 14 1.043 16.943 -9.416 1.00 0.00 H new ATOM 0 HG2 LYS B 14 3.665 16.713 -10.932 1.00 0.00 H new ATOM 0 HG3 LYS B 14 2.158 17.203 -11.681 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.978 19.082 -10.030 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.522 18.609 -9.349 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.764 20.470 -10.965 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.659 19.050 -11.470 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.083 20.360 -13.101 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 3.284 18.678 -13.220 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 1.912 19.318 -12.451 1.00 0.00 H new ATOM 1551 N ILE B 15 1.438 14.134 -7.701 1.00 0.00 N ATOM 1552 CA ILE B 15 0.545 13.392 -6.829 1.00 0.00 C ATOM 1553 C ILE B 15 1.207 13.112 -5.481 1.00 0.00 C ATOM 1554 O ILE B 15 0.633 13.401 -4.432 1.00 0.00 O ATOM 1555 CB ILE B 15 0.112 12.063 -7.477 1.00 0.00 C ATOM 1556 CG1 ILE B 15 -0.554 12.334 -8.827 1.00 0.00 C ATOM 1557 CG2 ILE B 15 -0.831 11.303 -6.553 1.00 0.00 C ATOM 1558 CD1 ILE B 15 -0.955 11.083 -9.575 1.00 0.00 C ATOM 0 H ILE B 15 1.752 13.616 -8.522 1.00 0.00 H new ATOM 0 HA ILE B 15 -0.339 14.009 -6.669 1.00 0.00 H new ATOM 0 HB ILE B 15 0.995 11.446 -7.642 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -1.439 12.949 -8.667 1.00 0.00 H new ATOM 0 HG13 ILE B 15 0.129 12.914 -9.448 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -1.127 10.367 -7.026 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -0.325 11.090 -5.612 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -1.717 11.908 -6.360 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -1.420 11.358 -10.522 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -0.071 10.475 -9.768 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -1.664 10.512 -8.975 1.00 0.00 H new ATOM 1570 N LEU B 16 2.420 12.565 -5.520 1.00 0.00 N ATOM 1571 CA LEU B 16 3.150 12.232 -4.302 1.00 0.00 C ATOM 1572 C LEU B 16 3.352 13.466 -3.429 1.00 0.00 C ATOM 1573 O LEU B 16 3.231 13.395 -2.205 1.00 0.00 O ATOM 1574 CB LEU B 16 4.510 11.609 -4.635 1.00 0.00 C ATOM 1575 CG LEU B 16 4.458 10.190 -5.203 1.00 0.00 C ATOM 1576 CD1 LEU B 16 5.855 9.712 -5.566 1.00 0.00 C ATOM 1577 CD2 LEU B 16 3.821 9.240 -4.200 1.00 0.00 C ATOM 0 H LEU B 16 2.917 12.343 -6.383 1.00 0.00 H new ATOM 0 HA LEU B 16 2.553 11.506 -3.750 1.00 0.00 H new ATOM 0 HB2 LEU B 16 5.019 12.252 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU B 16 5.117 11.598 -3.730 1.00 0.00 H new ATOM 0 HG LEU B 16 3.849 10.203 -6.107 1.00 0.00 H new ATOM 0 HD11 LEU B 16 5.800 8.701 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU B 16 6.284 10.378 -6.315 1.00 0.00 H new ATOM 0 HD13 LEU B 16 6.483 9.714 -4.675 1.00 0.00 H new ATOM 0 HD21 LEU B 16 3.791 8.234 -4.619 1.00 0.00 H new ATOM 0 HD22 LEU B 16 4.408 9.233 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU B 16 2.806 9.571 -3.979 1.00 0.00 H new ATOM 1589 N ALA B 17 3.645 14.595 -4.064 1.00 0.00 N ATOM 1590 CA ALA B 17 3.857 15.844 -3.348 1.00 0.00 C ATOM 1591 C ALA B 17 2.609 16.248 -2.573 1.00 0.00 C ATOM 1592 O ALA B 17 2.686 16.579 -1.391 1.00 0.00 O ATOM 1593 CB ALA B 17 4.260 16.949 -4.310 1.00 0.00 C ATOM 0 H ALA B 17 3.741 14.669 -5.077 1.00 0.00 H new ATOM 0 HA ALA B 17 4.666 15.689 -2.635 1.00 0.00 H new ATOM 0 HB1 ALA B 17 4.414 17.875 -3.756 1.00 0.00 H new ATOM 0 HB2 ALA B 17 5.184 16.671 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA B 17 3.471 17.094 -5.048 1.00 0.00 H new ATOM 1599 N GLU B 18 1.458 16.214 -3.241 1.00 0.00 N ATOM 1600 CA GLU B 18 0.202 16.577 -2.597 1.00 0.00 C ATOM 1601 C GLU B 18 -0.161 15.579 -1.498 1.00 0.00 C ATOM 1602 O GLU B 18 -0.602 15.972 -0.419 1.00 0.00 O ATOM 1603 CB GLU B 18 -0.931 16.672 -3.621 1.00 0.00 C ATOM 1604 CG GLU B 18 -0.813 17.865 -4.558 1.00 0.00 C ATOM 1605 CD GLU B 18 -2.015 18.012 -5.471 1.00 0.00 C ATOM 1606 OE1 GLU B 18 -3.152 18.076 -4.960 1.00 0.00 O ATOM 1607 OE2 GLU B 18 -1.831 18.069 -6.704 1.00 0.00 O ATOM 0 H GLU B 18 1.371 15.941 -4.220 1.00 0.00 H new ATOM 0 HA GLU B 18 0.338 17.557 -2.140 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.951 15.757 -4.213 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -1.882 16.730 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -0.696 18.775 -3.969 1.00 0.00 H new ATOM 0 HG3 GLU B 18 0.087 17.759 -5.163 1.00 0.00 H new ATOM 1614 N VAL B 19 0.041 14.292 -1.768 1.00 0.00 N ATOM 1615 CA VAL B 19 -0.238 13.249 -0.781 1.00 0.00 C ATOM 1616 C VAL B 19 0.618 13.441 0.471 1.00 0.00 C ATOM 1617 O VAL B 19 0.108 13.412 1.594 1.00 0.00 O ATOM 1618 CB VAL B 19 0.000 11.832 -1.360 1.00 0.00 C ATOM 1619 CG1 VAL B 19 -0.148 10.770 -0.279 1.00 0.00 C ATOM 1620 CG2 VAL B 19 -0.961 11.556 -2.506 1.00 0.00 C ATOM 0 H VAL B 19 0.396 13.945 -2.659 1.00 0.00 H new ATOM 0 HA VAL B 19 -1.291 13.338 -0.514 1.00 0.00 H new ATOM 0 HB VAL B 19 1.020 11.791 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL B 19 0.024 9.784 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL B 19 0.580 10.952 0.512 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -1.154 10.813 0.138 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -0.779 10.556 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -1.987 11.622 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -0.806 12.291 -3.296 1.00 0.00 H new ATOM 1630 N ALA B 20 1.913 13.660 0.270 1.00 0.00 N ATOM 1631 CA ALA B 20 2.834 13.875 1.378 1.00 0.00 C ATOM 1632 C ALA B 20 2.493 15.159 2.125 1.00 0.00 C ATOM 1633 O ALA B 20 2.643 15.238 3.345 1.00 0.00 O ATOM 1634 CB ALA B 20 4.269 13.922 0.875 1.00 0.00 C ATOM 0 H ALA B 20 2.348 13.693 -0.652 1.00 0.00 H new ATOM 0 HA ALA B 20 2.733 13.039 2.070 1.00 0.00 H new ATOM 0 HB1 ALA B 20 4.944 14.083 1.715 1.00 0.00 H new ATOM 0 HB2 ALA B 20 4.515 12.978 0.388 1.00 0.00 H new ATOM 0 HB3 ALA B 20 4.378 14.738 0.161 1.00 0.00 H new ATOM 1640 N LEU B 21 2.027 16.160 1.388 1.00 0.00 N ATOM 1641 CA LEU B 21 1.624 17.425 1.984 1.00 0.00 C ATOM 1642 C LEU B 21 0.453 17.211 2.937 1.00 0.00 C ATOM 1643 O LEU B 21 0.405 17.803 4.013 1.00 0.00 O ATOM 1644 CB LEU B 21 1.264 18.437 0.889 1.00 0.00 C ATOM 1645 CG LEU B 21 0.934 19.854 1.368 1.00 0.00 C ATOM 1646 CD1 LEU B 21 1.381 20.870 0.332 1.00 0.00 C ATOM 1647 CD2 LEU B 21 -0.559 20.005 1.631 1.00 0.00 C ATOM 0 H LEU B 21 1.919 16.119 0.375 1.00 0.00 H new ATOM 0 HA LEU B 21 2.459 17.827 2.558 1.00 0.00 H new ATOM 0 HB2 LEU B 21 2.097 18.496 0.188 1.00 0.00 H new ATOM 0 HB3 LEU B 21 0.408 18.053 0.334 1.00 0.00 H new ATOM 0 HG LEU B 21 1.468 20.032 2.302 1.00 0.00 H new ATOM 0 HD11 LEU B 21 1.142 21.875 0.681 1.00 0.00 H new ATOM 0 HD12 LEU B 21 2.457 20.785 0.179 1.00 0.00 H new ATOM 0 HD13 LEU B 21 0.865 20.681 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -0.768 21.020 1.970 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -1.112 19.808 0.713 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -0.867 19.295 2.399 1.00 0.00 H new ATOM 1659 N VAL B 22 -0.480 16.348 2.544 1.00 0.00 N ATOM 1660 CA VAL B 22 -1.617 16.014 3.390 1.00 0.00 C ATOM 1661 C VAL B 22 -1.137 15.335 4.667 1.00 0.00 C ATOM 1662 O VAL B 22 -1.577 15.673 5.770 1.00 0.00 O ATOM 1663 CB VAL B 22 -2.621 15.091 2.663 1.00 0.00 C ATOM 1664 CG1 VAL B 22 -3.767 14.702 3.586 1.00 0.00 C ATOM 1665 CG2 VAL B 22 -3.150 15.769 1.407 1.00 0.00 C ATOM 0 H VAL B 22 -0.469 15.868 1.644 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.128 16.945 3.634 1.00 0.00 H new ATOM 0 HB VAL B 22 -2.099 14.180 2.372 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -4.460 14.052 3.052 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -3.372 14.175 4.454 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -4.291 15.600 3.914 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.856 15.107 0.906 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -3.653 16.697 1.679 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -2.320 15.990 0.736 1.00 0.00 H new ATOM 1675 N LEU B 23 -0.210 14.401 4.512 1.00 0.00 N ATOM 1676 CA LEU B 23 0.342 13.671 5.641 1.00 0.00 C ATOM 1677 C LEU B 23 1.070 14.616 6.591 1.00 0.00 C ATOM 1678 O LEU B 23 0.869 14.566 7.804 1.00 0.00 O ATOM 1679 CB LEU B 23 1.290 12.571 5.148 1.00 0.00 C ATOM 1680 CG LEU B 23 0.648 11.535 4.220 1.00 0.00 C ATOM 1681 CD1 LEU B 23 1.638 10.439 3.871 1.00 0.00 C ATOM 1682 CD2 LEU B 23 -0.592 10.942 4.862 1.00 0.00 C ATOM 0 H LEU B 23 0.177 14.130 3.608 1.00 0.00 H new ATOM 0 HA LEU B 23 -0.479 13.207 6.187 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.125 13.038 4.625 1.00 0.00 H new ATOM 0 HB3 LEU B 23 1.705 12.054 6.013 1.00 0.00 H new ATOM 0 HG LEU B 23 0.355 12.039 3.299 1.00 0.00 H new ATOM 0 HD11 LEU B 23 1.161 9.714 3.211 1.00 0.00 H new ATOM 0 HD12 LEU B 23 2.501 10.875 3.368 1.00 0.00 H new ATOM 0 HD13 LEU B 23 1.964 9.939 4.783 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -1.035 10.208 4.189 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -0.320 10.457 5.799 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -1.314 11.735 5.060 1.00 0.00 H new ATOM 1694 N GLU B 24 1.891 15.495 6.031 1.00 0.00 N ATOM 1695 CA GLU B 24 2.645 16.453 6.831 1.00 0.00 C ATOM 1696 C GLU B 24 1.706 17.445 7.519 1.00 0.00 C ATOM 1697 O GLU B 24 1.894 17.780 8.689 1.00 0.00 O ATOM 1698 CB GLU B 24 3.657 17.196 5.952 1.00 0.00 C ATOM 1699 CG GLU B 24 4.578 18.129 6.723 1.00 0.00 C ATOM 1700 CD GLU B 24 5.636 18.759 5.842 1.00 0.00 C ATOM 1701 OE1 GLU B 24 5.357 19.815 5.234 1.00 0.00 O ATOM 1702 OE2 GLU B 24 6.751 18.203 5.762 1.00 0.00 O ATOM 0 H GLU B 24 2.052 15.565 5.026 1.00 0.00 H new ATOM 0 HA GLU B 24 3.186 15.906 7.603 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.263 16.465 5.416 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.116 17.774 5.202 1.00 0.00 H new ATOM 0 HG2 GLU B 24 3.985 18.915 7.191 1.00 0.00 H new ATOM 0 HG3 GLU B 24 5.062 17.574 7.526 1.00 0.00 H new ATOM 1709 N LYS B 25 0.675 17.881 6.798 1.00 0.00 N ATOM 1710 CA LYS B 25 -0.276 18.867 7.316 1.00 0.00 C ATOM 1711 C LYS B 25 -1.086 18.297 8.480 1.00 0.00 C ATOM 1712 O LYS B 25 -1.654 19.040 9.276 1.00 0.00 O ATOM 1713 CB LYS B 25 -1.231 19.321 6.206 1.00 0.00 C ATOM 1714 CG LYS B 25 -1.979 20.607 6.526 1.00 0.00 C ATOM 1715 CD LYS B 25 -3.479 20.464 6.306 1.00 0.00 C ATOM 1716 CE LYS B 25 -3.812 19.999 4.896 1.00 0.00 C ATOM 1717 NZ LYS B 25 -5.279 19.958 4.667 1.00 0.00 N ATOM 0 H LYS B 25 0.475 17.566 5.849 1.00 0.00 H new ATOM 0 HA LYS B 25 0.297 19.721 7.676 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.663 19.461 5.286 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -1.955 18.529 6.016 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -1.790 20.888 7.562 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -1.596 21.414 5.901 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -3.884 19.753 7.026 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -3.965 21.421 6.495 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -3.349 20.669 4.172 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -3.389 19.008 4.729 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -5.474 19.526 3.741 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -5.731 19.394 5.414 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -5.660 20.925 4.685 1.00 0.00 H new ATOM 1731 N HIS B 26 -1.150 16.976 8.572 1.00 0.00 N ATOM 1732 CA HIS B 26 -1.889 16.330 9.653 1.00 0.00 C ATOM 1733 C HIS B 26 -0.938 15.695 10.662 1.00 0.00 C ATOM 1734 O HIS B 26 -1.375 14.979 11.565 1.00 0.00 O ATOM 1735 CB HIS B 26 -2.855 15.271 9.110 1.00 0.00 C ATOM 1736 CG HIS B 26 -4.049 15.835 8.396 1.00 0.00 C ATOM 1737 ND1 HIS B 26 -5.270 16.031 9.008 1.00 0.00 N ATOM 1738 CD2 HIS B 26 -4.214 16.225 7.109 1.00 0.00 C ATOM 1739 CE1 HIS B 26 -6.130 16.513 8.129 1.00 0.00 C ATOM 1740 NE2 HIS B 26 -5.514 16.642 6.970 1.00 0.00 N ATOM 0 H HIS B 26 -0.704 16.333 7.918 1.00 0.00 H new ATOM 0 HA HIS B 26 -2.470 17.103 10.156 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -2.313 14.617 8.427 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -3.200 14.652 9.938 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.461 16.210 6.335 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -7.163 16.760 8.326 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -5.935 16.994 6.110 1.00 0.00 H new ATOM 1749 N ALA B 27 0.361 15.964 10.496 1.00 0.00 N ATOM 1750 CA ALA B 27 1.397 15.460 11.401 1.00 0.00 C ATOM 1751 C ALA B 27 1.407 13.932 11.443 1.00 0.00 C ATOM 1752 O ALA B 27 1.558 13.326 12.506 1.00 0.00 O ATOM 1753 CB ALA B 27 1.213 16.041 12.800 1.00 0.00 C ATOM 0 H ALA B 27 0.722 16.536 9.732 1.00 0.00 H new ATOM 0 HA ALA B 27 2.364 15.784 11.016 1.00 0.00 H new ATOM 0 HB1 ALA B 27 1.991 15.656 13.459 1.00 0.00 H new ATOM 0 HB2 ALA B 27 1.281 17.128 12.754 1.00 0.00 H new ATOM 0 HB3 ALA B 27 0.235 15.755 13.187 1.00 0.00 H new ATOM 1759 N ALA B 28 1.266 13.319 10.275 1.00 0.00 N ATOM 1760 CA ALA B 28 1.232 11.869 10.173 1.00 0.00 C ATOM 1761 C ALA B 28 2.586 11.253 10.506 1.00 0.00 C ATOM 1762 O ALA B 28 3.601 11.551 9.868 1.00 0.00 O ATOM 1763 CB ALA B 28 0.787 11.444 8.783 1.00 0.00 C ATOM 0 H ALA B 28 1.173 13.806 9.384 1.00 0.00 H new ATOM 0 HA ALA B 28 0.510 11.503 10.903 1.00 0.00 H new ATOM 0 HB1 ALA B 28 0.767 10.356 8.724 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -0.210 11.836 8.584 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.485 11.835 8.042 1.00 0.00 H new ATOM 1769 N SER B 29 2.595 10.401 11.520 1.00 0.00 N ATOM 1770 CA SER B 29 3.794 9.679 11.911 1.00 0.00 C ATOM 1771 C SER B 29 4.041 8.509 10.948 1.00 0.00 C ATOM 1772 O SER B 29 3.157 8.160 10.162 1.00 0.00 O ATOM 1773 CB SER B 29 3.649 9.194 13.354 1.00 0.00 C ATOM 1774 OG SER B 29 3.460 10.287 14.238 1.00 0.00 O ATOM 0 H SER B 29 1.776 10.192 12.091 1.00 0.00 H new ATOM 0 HA SER B 29 4.658 10.342 11.857 1.00 0.00 H new ATOM 0 HB2 SER B 29 2.804 8.510 13.429 1.00 0.00 H new ATOM 0 HB3 SER B 29 4.538 8.635 13.645 1.00 0.00 H new ATOM 0 HG SER B 29 3.368 9.954 15.155 1.00 0.00 H new ATOM 1780 N PRO B 30 5.252 7.910 10.977 1.00 0.00 N ATOM 1781 CA PRO B 30 5.638 6.819 10.064 1.00 0.00 C ATOM 1782 C PRO B 30 4.600 5.703 9.953 1.00 0.00 C ATOM 1783 O PRO B 30 4.243 5.288 8.848 1.00 0.00 O ATOM 1784 CB PRO B 30 6.926 6.281 10.687 1.00 0.00 C ATOM 1785 CG PRO B 30 7.517 7.451 11.388 1.00 0.00 C ATOM 1786 CD PRO B 30 6.356 8.261 11.897 1.00 0.00 C ATOM 0 HA PRO B 30 5.743 7.185 9.043 1.00 0.00 H new ATOM 0 HB2 PRO B 30 6.721 5.465 11.380 1.00 0.00 H new ATOM 0 HB3 PRO B 30 7.602 5.891 9.926 1.00 0.00 H new ATOM 0 HG2 PRO B 30 8.159 7.131 12.209 1.00 0.00 H new ATOM 0 HG3 PRO B 30 8.136 8.040 10.711 1.00 0.00 H new ATOM 0 HD2 PRO B 30 6.113 8.008 12.929 1.00 0.00 H new ATOM 0 HD3 PRO B 30 6.572 9.329 11.874 1.00 0.00 H new ATOM 1794 N GLU B 31 4.111 5.227 11.092 1.00 0.00 N ATOM 1795 CA GLU B 31 3.160 4.123 11.106 1.00 0.00 C ATOM 1796 C GLU B 31 1.821 4.531 10.495 1.00 0.00 C ATOM 1797 O GLU B 31 1.245 3.788 9.701 1.00 0.00 O ATOM 1798 CB GLU B 31 2.984 3.563 12.528 1.00 0.00 C ATOM 1799 CG GLU B 31 3.441 4.497 13.642 1.00 0.00 C ATOM 1800 CD GLU B 31 2.438 5.583 13.977 1.00 0.00 C ATOM 1801 OE1 GLU B 31 2.251 6.502 13.157 1.00 0.00 O ATOM 1802 OE2 GLU B 31 1.846 5.527 15.073 1.00 0.00 O ATOM 0 H GLU B 31 4.356 5.587 12.014 1.00 0.00 H new ATOM 0 HA GLU B 31 3.568 3.326 10.485 1.00 0.00 H new ATOM 0 HB2 GLU B 31 1.932 3.324 12.682 1.00 0.00 H new ATOM 0 HB3 GLU B 31 3.538 2.628 12.607 1.00 0.00 H new ATOM 0 HG2 GLU B 31 3.640 3.909 14.538 1.00 0.00 H new ATOM 0 HG3 GLU B 31 4.383 4.962 13.351 1.00 0.00 H new ATOM 1809 N LEU B 32 1.341 5.715 10.851 1.00 0.00 N ATOM 1810 CA LEU B 32 0.121 6.259 10.262 1.00 0.00 C ATOM 1811 C LEU B 32 0.290 6.440 8.757 1.00 0.00 C ATOM 1812 O LEU B 32 -0.627 6.174 7.985 1.00 0.00 O ATOM 1813 CB LEU B 32 -0.240 7.602 10.913 1.00 0.00 C ATOM 1814 CG LEU B 32 -1.489 8.294 10.351 1.00 0.00 C ATOM 1815 CD1 LEU B 32 -2.722 7.428 10.544 1.00 0.00 C ATOM 1816 CD2 LEU B 32 -1.685 9.650 11.013 1.00 0.00 C ATOM 0 H LEU B 32 1.778 6.320 11.546 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.689 5.552 10.443 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.385 7.441 11.981 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.608 8.278 10.805 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.343 8.444 9.281 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.594 7.941 10.137 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.585 6.479 10.026 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.873 7.242 11.607 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.575 10.129 10.604 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -1.806 9.516 12.088 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -0.815 10.278 10.822 1.00 0.00 H new ATOM 1828 N THR B 33 1.474 6.888 8.358 1.00 0.00 N ATOM 1829 CA THR B 33 1.804 7.074 6.952 1.00 0.00 C ATOM 1830 C THR B 33 1.615 5.774 6.170 1.00 0.00 C ATOM 1831 O THR B 33 0.923 5.733 5.150 1.00 0.00 O ATOM 1832 CB THR B 33 3.266 7.549 6.809 1.00 0.00 C ATOM 1833 OG1 THR B 33 3.449 8.796 7.493 1.00 0.00 O ATOM 1834 CG2 THR B 33 3.653 7.698 5.349 1.00 0.00 C ATOM 0 H THR B 33 2.230 7.132 8.998 1.00 0.00 H new ATOM 0 HA THR B 33 1.132 7.829 6.545 1.00 0.00 H new ATOM 0 HB THR B 33 3.912 6.794 7.258 1.00 0.00 H new ATOM 0 HG1 THR B 33 3.486 8.637 8.459 1.00 0.00 H new ATOM 0 HG21 THR B 33 4.688 8.034 5.279 1.00 0.00 H new ATOM 0 HG22 THR B 33 3.548 6.737 4.845 1.00 0.00 H new ATOM 0 HG23 THR B 33 3.001 8.430 4.873 1.00 0.00 H new ATOM 1842 N LEU B 34 2.217 4.710 6.678 1.00 0.00 N ATOM 1843 CA LEU B 34 2.175 3.423 6.013 1.00 0.00 C ATOM 1844 C LEU B 34 0.777 2.816 6.126 1.00 0.00 C ATOM 1845 O LEU B 34 0.319 2.111 5.224 1.00 0.00 O ATOM 1846 CB LEU B 34 3.244 2.500 6.608 1.00 0.00 C ATOM 1847 CG LEU B 34 3.543 1.236 5.801 1.00 0.00 C ATOM 1848 CD1 LEU B 34 5.009 0.851 5.939 1.00 0.00 C ATOM 1849 CD2 LEU B 34 2.656 0.086 6.255 1.00 0.00 C ATOM 0 H LEU B 34 2.742 4.716 7.553 1.00 0.00 H new ATOM 0 HA LEU B 34 2.392 3.551 4.952 1.00 0.00 H new ATOM 0 HB2 LEU B 34 4.168 3.067 6.719 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.929 2.205 7.609 1.00 0.00 H new ATOM 0 HG LEU B 34 3.332 1.444 4.752 1.00 0.00 H new ATOM 0 HD11 LEU B 34 5.205 -0.051 5.358 1.00 0.00 H new ATOM 0 HD12 LEU B 34 5.635 1.663 5.570 1.00 0.00 H new ATOM 0 HD13 LEU B 34 5.239 0.664 6.988 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.885 -0.804 5.668 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.837 -0.119 7.310 1.00 0.00 H new ATOM 0 HD23 LEU B 34 1.610 0.355 6.112 1.00 0.00 H new ATOM 1861 N MET B 35 0.090 3.117 7.224 1.00 0.00 N ATOM 1862 CA MET B 35 -1.284 2.663 7.407 1.00 0.00 C ATOM 1863 C MET B 35 -2.205 3.329 6.387 1.00 0.00 C ATOM 1864 O MET B 35 -3.137 2.704 5.882 1.00 0.00 O ATOM 1865 CB MET B 35 -1.765 2.931 8.840 1.00 0.00 C ATOM 1866 CG MET B 35 -3.204 2.503 9.097 1.00 0.00 C ATOM 1867 SD MET B 35 -3.580 2.320 10.855 1.00 0.00 S ATOM 1868 CE MET B 35 -3.092 3.921 11.490 1.00 0.00 C ATOM 0 H MET B 35 0.460 3.671 7.997 1.00 0.00 H new ATOM 0 HA MET B 35 -1.314 1.586 7.243 1.00 0.00 H new ATOM 0 HB2 MET B 35 -1.110 2.407 9.537 1.00 0.00 H new ATOM 0 HB3 MET B 35 -1.669 3.996 9.052 1.00 0.00 H new ATOM 0 HG2 MET B 35 -3.880 3.238 8.661 1.00 0.00 H new ATOM 0 HG3 MET B 35 -3.392 1.557 8.590 1.00 0.00 H new ATOM 0 HE1 MET B 35 -3.397 4.007 12.533 1.00 0.00 H new ATOM 0 HE2 MET B 35 -2.009 4.026 11.419 1.00 0.00 H new ATOM 0 HE3 MET B 35 -3.572 4.706 10.906 1.00 0.00 H new ATOM 1878 N ILE B 36 -1.929 4.594 6.070 1.00 0.00 N ATOM 1879 CA ILE B 36 -2.652 5.284 5.007 1.00 0.00 C ATOM 1880 C ILE B 36 -2.475 4.534 3.691 1.00 0.00 C ATOM 1881 O ILE B 36 -3.448 4.255 2.986 1.00 0.00 O ATOM 1882 CB ILE B 36 -2.175 6.752 4.833 1.00 0.00 C ATOM 1883 CG1 ILE B 36 -2.585 7.611 6.036 1.00 0.00 C ATOM 1884 CG2 ILE B 36 -2.723 7.358 3.547 1.00 0.00 C ATOM 1885 CD1 ILE B 36 -4.060 7.550 6.364 1.00 0.00 C ATOM 0 H ILE B 36 -1.215 5.157 6.532 1.00 0.00 H new ATOM 0 HA ILE B 36 -3.705 5.307 5.289 1.00 0.00 H new ATOM 0 HB ILE B 36 -1.087 6.737 4.772 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -2.016 7.290 6.909 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -2.310 8.647 5.840 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -2.373 8.386 3.451 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -2.376 6.775 2.694 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -3.813 7.347 3.575 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -4.268 8.184 7.226 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -4.638 7.900 5.509 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -4.339 6.522 6.594 1.00 0.00 H new ATOM 1897 N ALA B 37 -1.227 4.188 3.382 1.00 0.00 N ATOM 1898 CA ALA B 37 -0.913 3.439 2.169 1.00 0.00 C ATOM 1899 C ALA B 37 -1.656 2.102 2.139 1.00 0.00 C ATOM 1900 O ALA B 37 -2.121 1.660 1.084 1.00 0.00 O ATOM 1901 CB ALA B 37 0.590 3.217 2.060 1.00 0.00 C ATOM 0 H ALA B 37 -0.416 4.415 3.957 1.00 0.00 H new ATOM 0 HA ALA B 37 -1.244 4.026 1.312 1.00 0.00 H new ATOM 0 HB1 ALA B 37 0.810 2.657 1.151 1.00 0.00 H new ATOM 0 HB2 ALA B 37 1.099 4.180 2.025 1.00 0.00 H new ATOM 0 HB3 ALA B 37 0.938 2.654 2.926 1.00 0.00 H new ATOM 1907 N GLY B 38 -1.769 1.475 3.308 1.00 0.00 N ATOM 1908 CA GLY B 38 -2.489 0.218 3.426 1.00 0.00 C ATOM 1909 C GLY B 38 -3.954 0.357 3.065 1.00 0.00 C ATOM 1910 O GLY B 38 -4.484 -0.432 2.281 1.00 0.00 O ATOM 0 H GLY B 38 -1.371 1.819 4.182 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.026 -0.525 2.777 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -2.403 -0.153 4.447 1.00 0.00 H new ATOM 1914 N ASN B 39 -4.608 1.360 3.637 1.00 0.00 N ATOM 1915 CA ASN B 39 -6.014 1.625 3.342 1.00 0.00 C ATOM 1916 C ASN B 39 -6.207 1.929 1.862 1.00 0.00 C ATOM 1917 O ASN B 39 -7.195 1.508 1.258 1.00 0.00 O ATOM 1918 CB ASN B 39 -6.551 2.786 4.187 1.00 0.00 C ATOM 1919 CG ASN B 39 -6.859 2.388 5.620 1.00 0.00 C ATOM 1920 OD1 ASN B 39 -6.201 1.524 6.198 1.00 0.00 O ATOM 1921 ND2 ASN B 39 -7.880 3.007 6.196 1.00 0.00 N ATOM 0 H ASN B 39 -4.189 2.004 4.308 1.00 0.00 H new ATOM 0 HA ASN B 39 -6.577 0.726 3.595 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -5.819 3.594 4.190 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -7.456 3.177 3.722 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -8.145 2.772 7.153 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -8.401 3.718 5.683 1.00 0.00 H new ATOM 1928 N ILE B 40 -5.258 2.658 1.281 1.00 0.00 N ATOM 1929 CA ILE B 40 -5.298 2.962 -0.144 1.00 0.00 C ATOM 1930 C ILE B 40 -5.332 1.674 -0.962 1.00 0.00 C ATOM 1931 O ILE B 40 -6.267 1.446 -1.729 1.00 0.00 O ATOM 1932 CB ILE B 40 -4.085 3.819 -0.583 1.00 0.00 C ATOM 1933 CG1 ILE B 40 -4.116 5.185 0.109 1.00 0.00 C ATOM 1934 CG2 ILE B 40 -4.077 3.995 -2.096 1.00 0.00 C ATOM 1935 CD1 ILE B 40 -2.908 6.047 -0.187 1.00 0.00 C ATOM 0 H ILE B 40 -4.455 3.048 1.774 1.00 0.00 H new ATOM 0 HA ILE B 40 -6.206 3.537 -0.326 1.00 0.00 H new ATOM 0 HB ILE B 40 -3.173 3.300 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE B 40 -5.015 5.718 -0.200 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -4.188 5.035 1.186 1.00 0.00 H new ATOM 0 HG21 ILE B 40 -3.218 4.600 -2.387 1.00 0.00 H new ATOM 0 HG22 ILE B 40 -4.013 3.018 -2.576 1.00 0.00 H new ATOM 0 HG23 ILE B 40 -4.994 4.493 -2.409 1.00 0.00 H new ATOM 0 HD11 ILE B 40 -3.002 6.998 0.338 1.00 0.00 H new ATOM 0 HD12 ILE B 40 -2.005 5.536 0.147 1.00 0.00 H new ATOM 0 HD13 ILE B 40 -2.845 6.229 -1.260 1.00 0.00 H new ATOM 1947 N ALA B 41 -4.329 0.820 -0.767 1.00 0.00 N ATOM 1948 CA ALA B 41 -4.233 -0.431 -1.505 1.00 0.00 C ATOM 1949 C ALA B 41 -5.475 -1.292 -1.293 1.00 0.00 C ATOM 1950 O ALA B 41 -6.035 -1.823 -2.250 1.00 0.00 O ATOM 1951 CB ALA B 41 -2.977 -1.185 -1.095 1.00 0.00 C ATOM 0 H ALA B 41 -3.571 0.975 -0.102 1.00 0.00 H new ATOM 0 HA ALA B 41 -4.170 -0.198 -2.568 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -2.915 -2.119 -1.653 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -2.100 -0.575 -1.310 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -3.015 -1.402 -0.027 1.00 0.00 H new ATOM 1957 N THR B 42 -5.914 -1.397 -0.043 1.00 0.00 N ATOM 1958 CA THR B 42 -7.083 -2.201 0.302 1.00 0.00 C ATOM 1959 C THR B 42 -8.308 -1.775 -0.507 1.00 0.00 C ATOM 1960 O THR B 42 -8.908 -2.582 -1.219 1.00 0.00 O ATOM 1961 CB THR B 42 -7.412 -2.090 1.806 1.00 0.00 C ATOM 1962 OG1 THR B 42 -6.265 -2.450 2.585 1.00 0.00 O ATOM 1963 CG2 THR B 42 -8.579 -2.991 2.183 1.00 0.00 C ATOM 0 H THR B 42 -5.476 -0.933 0.752 1.00 0.00 H new ATOM 0 HA THR B 42 -6.837 -3.236 0.062 1.00 0.00 H new ATOM 0 HB THR B 42 -7.691 -1.057 2.012 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.646 -1.691 2.626 1.00 0.00 H new ATOM 0 HG21 THR B 42 -8.787 -2.891 3.248 1.00 0.00 H new ATOM 0 HG22 THR B 42 -9.461 -2.701 1.612 1.00 0.00 H new ATOM 0 HG23 THR B 42 -8.326 -4.027 1.959 1.00 0.00 H new ATOM 1971 N ASN B 43 -8.653 -0.498 -0.416 1.00 0.00 N ATOM 1972 CA ASN B 43 -9.862 0.017 -1.053 1.00 0.00 C ATOM 1973 C ASN B 43 -9.788 -0.077 -2.574 1.00 0.00 C ATOM 1974 O ASN B 43 -10.795 -0.329 -3.237 1.00 0.00 O ATOM 1975 CB ASN B 43 -10.117 1.463 -0.614 1.00 0.00 C ATOM 1976 CG ASN B 43 -10.656 1.548 0.806 1.00 0.00 C ATOM 1977 OD1 ASN B 43 -11.405 0.679 1.249 1.00 0.00 O ATOM 1978 ND2 ASN B 43 -10.265 2.587 1.531 1.00 0.00 N ATOM 0 H ASN B 43 -8.114 0.203 0.093 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.697 -0.605 -0.731 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -9.189 2.030 -0.683 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -10.826 1.928 -1.298 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -10.586 2.687 2.494 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -9.643 3.286 1.126 1.00 0.00 H new ATOM 1985 N VAL B 44 -8.596 0.104 -3.127 1.00 0.00 N ATOM 1986 CA VAL B 44 -8.407 0.011 -4.571 1.00 0.00 C ATOM 1987 C VAL B 44 -8.527 -1.435 -5.043 1.00 0.00 C ATOM 1988 O VAL B 44 -9.140 -1.716 -6.075 1.00 0.00 O ATOM 1989 CB VAL B 44 -7.042 0.584 -4.997 1.00 0.00 C ATOM 1990 CG1 VAL B 44 -6.804 0.389 -6.488 1.00 0.00 C ATOM 1991 CG2 VAL B 44 -6.956 2.055 -4.635 1.00 0.00 C ATOM 0 H VAL B 44 -7.748 0.315 -2.601 1.00 0.00 H new ATOM 0 HA VAL B 44 -9.193 0.604 -5.039 1.00 0.00 H new ATOM 0 HB VAL B 44 -6.264 0.041 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL B 44 -5.833 0.803 -6.759 1.00 0.00 H new ATOM 0 HG12 VAL B 44 -6.823 -0.675 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL B 44 -7.586 0.899 -7.051 1.00 0.00 H new ATOM 0 HG21 VAL B 44 -5.987 2.449 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL B 44 -7.748 2.602 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL B 44 -7.071 2.172 -3.557 1.00 0.00 H new ATOM 2001 N LEU B 45 -7.959 -2.353 -4.277 1.00 0.00 N ATOM 2002 CA LEU B 45 -8.027 -3.765 -4.620 1.00 0.00 C ATOM 2003 C LEU B 45 -9.451 -4.288 -4.476 1.00 0.00 C ATOM 2004 O LEU B 45 -9.839 -5.243 -5.140 1.00 0.00 O ATOM 2005 CB LEU B 45 -7.072 -4.585 -3.748 1.00 0.00 C ATOM 2006 CG LEU B 45 -5.586 -4.272 -3.941 1.00 0.00 C ATOM 2007 CD1 LEU B 45 -4.738 -5.088 -2.980 1.00 0.00 C ATOM 2008 CD2 LEU B 45 -5.168 -4.539 -5.378 1.00 0.00 C ATOM 0 H LEU B 45 -7.448 -2.148 -3.418 1.00 0.00 H new ATOM 0 HA LEU B 45 -7.721 -3.871 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.329 -4.421 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -7.234 -5.643 -3.954 1.00 0.00 H new ATOM 0 HG LEU B 45 -5.427 -3.215 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -3.685 -4.851 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -5.018 -4.849 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -4.901 -6.150 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -4.109 -4.311 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -5.343 -5.588 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -5.752 -3.910 -6.050 1.00 0.00 H new ATOM 2020 N ASN B 46 -10.231 -3.654 -3.612 1.00 0.00 N ATOM 2021 CA ASN B 46 -11.618 -4.060 -3.405 1.00 0.00 C ATOM 2022 C ASN B 46 -12.535 -3.485 -4.481 1.00 0.00 C ATOM 2023 O ASN B 46 -13.360 -4.201 -5.045 1.00 0.00 O ATOM 2024 CB ASN B 46 -12.135 -3.623 -2.026 1.00 0.00 C ATOM 2025 CG ASN B 46 -11.636 -4.493 -0.878 1.00 0.00 C ATOM 2026 OD1 ASN B 46 -10.420 -4.996 -0.987 1.00 0.00 O flip ATOM 2027 ND2 ASN B 46 -12.343 -4.696 0.109 1.00 0.00 N flip ATOM 0 H ASN B 46 -9.932 -2.861 -3.045 1.00 0.00 H new ATOM 0 HA ASN B 46 -11.633 -5.148 -3.464 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -11.833 -2.591 -1.845 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -13.225 -3.639 -2.035 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -13.278 -4.291 0.159 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -11.994 -5.269 0.877 1.00 0.00 H new ATOM 2034 N GLN B 47 -12.381 -2.198 -4.775 1.00 0.00 N ATOM 2035 CA GLN B 47 -13.377 -1.483 -5.572 1.00 0.00 C ATOM 2036 C GLN B 47 -12.798 -0.824 -6.828 1.00 0.00 C ATOM 2037 O GLN B 47 -13.342 0.177 -7.299 1.00 0.00 O ATOM 2038 CB GLN B 47 -14.043 -0.412 -4.703 1.00 0.00 C ATOM 2039 CG GLN B 47 -14.797 -0.976 -3.510 1.00 0.00 C ATOM 2040 CD GLN B 47 -15.245 0.103 -2.545 1.00 0.00 C ATOM 2041 OE1 GLN B 47 -16.333 0.665 -2.680 1.00 0.00 O ATOM 2042 NE2 GLN B 47 -14.410 0.396 -1.559 1.00 0.00 N ATOM 0 H GLN B 47 -11.586 -1.632 -4.478 1.00 0.00 H new ATOM 0 HA GLN B 47 -14.100 -2.225 -5.911 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -13.280 0.280 -4.346 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -14.733 0.165 -5.318 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -15.668 -1.528 -3.863 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -14.160 -1.687 -2.985 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -13.518 -0.093 -1.483 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -14.659 1.111 -0.875 1.00 0.00 H new ATOM 2051 N ARG B 48 -11.722 -1.370 -7.381 1.00 0.00 N ATOM 2052 CA ARG B 48 -11.163 -0.824 -8.623 1.00 0.00 C ATOM 2053 C ARG B 48 -10.577 -1.907 -9.528 1.00 0.00 C ATOM 2054 O ARG B 48 -10.863 -1.939 -10.723 1.00 0.00 O ATOM 2055 CB ARG B 48 -10.099 0.245 -8.337 1.00 0.00 C ATOM 2056 CG ARG B 48 -10.670 1.642 -8.134 1.00 0.00 C ATOM 2057 CD ARG B 48 -9.578 2.699 -8.094 1.00 0.00 C ATOM 2058 NE ARG B 48 -10.129 4.048 -8.216 1.00 0.00 N ATOM 2059 CZ ARG B 48 -9.423 5.119 -8.578 1.00 0.00 C ATOM 2060 NH1 ARG B 48 -8.122 5.018 -8.819 1.00 0.00 N ATOM 2061 NH2 ARG B 48 -10.026 6.295 -8.692 1.00 0.00 N ATOM 0 H ARG B 48 -11.223 -2.175 -7.002 1.00 0.00 H new ATOM 0 HA ARG B 48 -11.997 -0.363 -9.151 1.00 0.00 H new ATOM 0 HB2 ARG B 48 -9.540 -0.042 -7.446 1.00 0.00 H new ATOM 0 HB3 ARG B 48 -9.390 0.269 -9.165 1.00 0.00 H new ATOM 0 HG2 ARG B 48 -11.367 1.870 -8.940 1.00 0.00 H new ATOM 0 HG3 ARG B 48 -11.238 1.671 -7.204 1.00 0.00 H new ATOM 0 HD2 ARG B 48 -9.024 2.615 -7.159 1.00 0.00 H new ATOM 0 HD3 ARG B 48 -8.869 2.521 -8.902 1.00 0.00 H new ATOM 0 HE ARG B 48 -11.120 4.178 -8.010 1.00 0.00 H new ATOM 0 HH11 ARG B 48 -7.655 4.116 -8.728 1.00 0.00 H new ATOM 0 HH12 ARG B 48 -7.589 5.843 -9.096 1.00 0.00 H new ATOM 0 HH21 ARG B 48 -11.025 6.376 -8.503 1.00 0.00 H new ATOM 0 HH22 ARG B 48 -9.491 7.118 -8.969 1.00 0.00 H new ATOM 2075 N VAL B 49 -9.761 -2.789 -8.969 1.00 0.00 N ATOM 2076 CA VAL B 49 -9.052 -3.779 -9.780 1.00 0.00 C ATOM 2077 C VAL B 49 -9.977 -4.937 -10.182 1.00 0.00 C ATOM 2078 O VAL B 49 -10.967 -5.220 -9.496 1.00 0.00 O ATOM 2079 CB VAL B 49 -7.805 -4.326 -9.044 1.00 0.00 C ATOM 2080 CG1 VAL B 49 -8.196 -5.192 -7.859 1.00 0.00 C ATOM 2081 CG2 VAL B 49 -6.908 -5.095 -10.000 1.00 0.00 C ATOM 0 H VAL B 49 -9.572 -2.843 -7.968 1.00 0.00 H new ATOM 0 HA VAL B 49 -8.720 -3.271 -10.686 1.00 0.00 H new ATOM 0 HB VAL B 49 -7.246 -3.472 -8.661 1.00 0.00 H new ATOM 0 HG11 VAL B 49 -7.297 -5.560 -7.365 1.00 0.00 H new ATOM 0 HG12 VAL B 49 -8.782 -4.602 -7.154 1.00 0.00 H new ATOM 0 HG13 VAL B 49 -8.790 -6.037 -8.206 1.00 0.00 H new ATOM 0 HG21 VAL B 49 -6.038 -5.470 -9.461 1.00 0.00 H new ATOM 0 HG22 VAL B 49 -7.461 -5.933 -10.424 1.00 0.00 H new ATOM 0 HG23 VAL B 49 -6.580 -4.434 -10.802 1.00 0.00 H new ATOM 2091 N ALA B 50 -9.653 -5.590 -11.302 1.00 0.00 N ATOM 2092 CA ALA B 50 -10.428 -6.723 -11.800 1.00 0.00 C ATOM 2093 C ALA B 50 -10.480 -7.857 -10.778 1.00 0.00 C ATOM 2094 O ALA B 50 -9.611 -7.964 -9.913 1.00 0.00 O ATOM 2095 CB ALA B 50 -9.852 -7.224 -13.117 1.00 0.00 C ATOM 0 H ALA B 50 -8.851 -5.348 -11.884 1.00 0.00 H new ATOM 0 HA ALA B 50 -11.448 -6.378 -11.969 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.441 -8.068 -13.474 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -9.882 -6.423 -13.855 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -8.820 -7.540 -12.966 1.00 0.00 H new ATOM 2101 N ALA B 51 -11.495 -8.703 -10.889 1.00 0.00 N ATOM 2102 CA ALA B 51 -11.700 -9.788 -9.935 1.00 0.00 C ATOM 2103 C ALA B 51 -10.589 -10.829 -10.029 1.00 0.00 C ATOM 2104 O ALA B 51 -10.054 -11.269 -9.013 1.00 0.00 O ATOM 2105 CB ALA B 51 -13.058 -10.435 -10.159 1.00 0.00 C ATOM 0 H ALA B 51 -12.192 -8.660 -11.632 1.00 0.00 H new ATOM 0 HA ALA B 51 -11.672 -9.364 -8.931 1.00 0.00 H new ATOM 0 HB1 ALA B 51 -13.199 -11.243 -9.441 1.00 0.00 H new ATOM 0 HB2 ALA B 51 -13.842 -9.690 -10.026 1.00 0.00 H new ATOM 0 HB3 ALA B 51 -13.107 -10.836 -11.171 1.00 0.00 H new ATOM 2111 N SER B 52 -10.239 -11.208 -11.250 1.00 0.00 N ATOM 2112 CA SER B 52 -9.200 -12.205 -11.469 1.00 0.00 C ATOM 2113 C SER B 52 -7.814 -11.580 -11.316 1.00 0.00 C ATOM 2114 O SER B 52 -6.824 -12.285 -11.122 1.00 0.00 O ATOM 2115 CB SER B 52 -9.350 -12.832 -12.859 1.00 0.00 C ATOM 2116 OG SER B 52 -8.430 -13.897 -13.050 1.00 0.00 O ATOM 0 H SER B 52 -10.659 -10.841 -12.104 1.00 0.00 H new ATOM 0 HA SER B 52 -9.310 -12.987 -10.718 1.00 0.00 H new ATOM 0 HB2 SER B 52 -10.368 -13.202 -12.985 1.00 0.00 H new ATOM 0 HB3 SER B 52 -9.191 -12.070 -13.622 1.00 0.00 H new ATOM 0 HG SER B 52 -8.551 -14.277 -13.945 1.00 0.00 H new ATOM 2122 N GLN B 53 -7.752 -10.256 -11.397 1.00 0.00 N ATOM 2123 CA GLN B 53 -6.492 -9.538 -11.257 1.00 0.00 C ATOM 2124 C GLN B 53 -6.233 -9.225 -9.791 1.00 0.00 C ATOM 2125 O GLN B 53 -5.104 -8.972 -9.386 1.00 0.00 O ATOM 2126 CB GLN B 53 -6.529 -8.229 -12.057 1.00 0.00 C ATOM 2127 CG GLN B 53 -5.156 -7.592 -12.256 1.00 0.00 C ATOM 2128 CD GLN B 53 -4.189 -8.494 -13.003 1.00 0.00 C ATOM 2129 OE1 GLN B 53 -4.707 -9.293 -13.921 1.00 0.00 O flip ATOM 2130 NE2 GLN B 53 -2.981 -8.457 -12.771 1.00 0.00 N flip ATOM 0 H GLN B 53 -8.562 -9.657 -11.559 1.00 0.00 H new ATOM 0 HA GLN B 53 -5.691 -10.169 -11.643 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -6.975 -8.422 -13.033 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -7.178 -7.519 -11.545 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -5.271 -6.657 -12.805 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -4.733 -7.341 -11.283 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.618 -7.828 -12.055 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -2.343 -9.056 -13.295 1.00 0.00 H new ATOM 2139 N ARG B 54 -7.297 -9.298 -9.006 1.00 0.00 N ATOM 2140 CA ARG B 54 -7.318 -8.804 -7.633 1.00 0.00 C ATOM 2141 C ARG B 54 -6.187 -9.385 -6.783 1.00 0.00 C ATOM 2142 O ARG B 54 -5.306 -8.651 -6.332 1.00 0.00 O ATOM 2143 CB ARG B 54 -8.683 -9.127 -7.028 1.00 0.00 C ATOM 2144 CG ARG B 54 -9.047 -8.303 -5.809 1.00 0.00 C ATOM 2145 CD ARG B 54 -10.559 -8.163 -5.689 1.00 0.00 C ATOM 2146 NE ARG B 54 -11.131 -7.418 -6.815 1.00 0.00 N ATOM 2147 CZ ARG B 54 -12.380 -7.564 -7.261 1.00 0.00 C ATOM 2148 NH1 ARG B 54 -13.192 -8.455 -6.707 1.00 0.00 N ATOM 2149 NH2 ARG B 54 -12.816 -6.823 -8.273 1.00 0.00 N ATOM 0 H ARG B 54 -8.182 -9.707 -9.306 1.00 0.00 H new ATOM 0 HA ARG B 54 -7.156 -7.726 -7.646 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -9.447 -8.979 -7.791 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.704 -10.182 -6.756 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -8.648 -8.775 -4.912 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.589 -7.316 -5.880 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -11.012 -9.153 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -10.804 -7.655 -4.756 1.00 0.00 H new ATOM 0 HE ARG B 54 -10.533 -6.742 -7.290 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -12.863 -9.034 -5.935 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -14.146 -8.561 -7.053 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -12.196 -6.141 -8.710 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -13.771 -6.936 -8.613 1.00 0.00 H new ATOM 2163 N LYS B 55 -6.198 -10.695 -6.573 1.00 0.00 N ATOM 2164 CA LYS B 55 -5.176 -11.329 -5.744 1.00 0.00 C ATOM 2165 C LYS B 55 -3.819 -11.344 -6.435 1.00 0.00 C ATOM 2166 O LYS B 55 -2.785 -11.236 -5.778 1.00 0.00 O ATOM 2167 CB LYS B 55 -5.570 -12.753 -5.369 1.00 0.00 C ATOM 2168 CG LYS B 55 -6.268 -12.859 -4.022 1.00 0.00 C ATOM 2169 CD LYS B 55 -6.316 -14.302 -3.541 1.00 0.00 C ATOM 2170 CE LYS B 55 -4.922 -14.919 -3.484 1.00 0.00 C ATOM 2171 NZ LYS B 55 -4.029 -14.222 -2.517 1.00 0.00 N ATOM 0 H LYS B 55 -6.893 -11.334 -6.959 1.00 0.00 H new ATOM 0 HA LYS B 55 -5.097 -10.732 -4.836 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -6.226 -13.154 -6.141 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -4.676 -13.376 -5.355 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -5.745 -12.245 -3.289 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -7.281 -12.465 -4.102 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -6.773 -14.342 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -6.948 -14.888 -4.208 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -5.004 -15.970 -3.205 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -4.473 -14.887 -4.477 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -3.154 -13.933 -2.999 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -4.512 -13.380 -2.143 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -3.797 -14.865 -1.733 1.00 0.00 H new ATOM 2185 N LEU B 56 -3.825 -11.476 -7.755 1.00 0.00 N ATOM 2186 CA LEU B 56 -2.588 -11.535 -8.518 1.00 0.00 C ATOM 2187 C LEU B 56 -1.814 -10.235 -8.400 1.00 0.00 C ATOM 2188 O LEU B 56 -0.643 -10.235 -8.026 1.00 0.00 O ATOM 2189 CB LEU B 56 -2.876 -11.851 -9.987 1.00 0.00 C ATOM 2190 CG LEU B 56 -3.321 -13.287 -10.249 1.00 0.00 C ATOM 2191 CD1 LEU B 56 -3.574 -13.506 -11.731 1.00 0.00 C ATOM 2192 CD2 LEU B 56 -2.274 -14.261 -9.732 1.00 0.00 C ATOM 0 H LEU B 56 -4.673 -11.544 -8.318 1.00 0.00 H new ATOM 0 HA LEU B 56 -1.975 -12.335 -8.103 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -3.650 -11.173 -10.347 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -1.978 -11.650 -10.572 1.00 0.00 H new ATOM 0 HG LEU B 56 -4.255 -13.466 -9.717 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -3.890 -14.536 -11.898 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -4.356 -12.827 -12.071 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -2.658 -13.313 -12.289 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -2.601 -15.283 -9.924 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -1.327 -14.082 -10.241 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -2.142 -14.118 -8.660 1.00 0.00 H new ATOM 2204 N ILE B 57 -2.486 -9.129 -8.682 1.00 0.00 N ATOM 2205 CA ILE B 57 -1.854 -7.822 -8.643 1.00 0.00 C ATOM 2206 C ILE B 57 -1.470 -7.464 -7.207 1.00 0.00 C ATOM 2207 O ILE B 57 -0.494 -6.750 -6.975 1.00 0.00 O ATOM 2208 CB ILE B 57 -2.778 -6.734 -9.244 1.00 0.00 C ATOM 2209 CG1 ILE B 57 -1.974 -5.506 -9.660 1.00 0.00 C ATOM 2210 CG2 ILE B 57 -3.870 -6.333 -8.261 1.00 0.00 C ATOM 2211 CD1 ILE B 57 -2.801 -4.483 -10.409 1.00 0.00 C ATOM 0 H ILE B 57 -3.472 -9.112 -8.941 1.00 0.00 H new ATOM 0 HA ILE B 57 -0.950 -7.864 -9.250 1.00 0.00 H new ATOM 0 HB ILE B 57 -3.251 -7.159 -10.129 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -1.547 -5.040 -8.772 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -1.140 -5.820 -10.287 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -4.502 -5.568 -8.712 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -4.476 -7.205 -8.014 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -3.415 -5.939 -7.353 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -2.173 -3.633 -10.677 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -3.206 -4.935 -11.314 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -3.620 -4.143 -9.775 1.00 0.00 H new ATOM 2223 N ALA B 58 -2.232 -7.991 -6.248 1.00 0.00 N ATOM 2224 CA ALA B 58 -1.957 -7.766 -4.836 1.00 0.00 C ATOM 2225 C ALA B 58 -0.626 -8.387 -4.430 1.00 0.00 C ATOM 2226 O ALA B 58 0.189 -7.755 -3.757 1.00 0.00 O ATOM 2227 CB ALA B 58 -3.082 -8.329 -3.979 1.00 0.00 C ATOM 0 H ALA B 58 -3.046 -8.578 -6.428 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.894 -6.690 -4.674 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.861 -8.153 -2.926 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -4.019 -7.838 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -3.173 -9.401 -4.156 1.00 0.00 H new ATOM 2233 N GLU B 59 -0.401 -9.627 -4.848 1.00 0.00 N ATOM 2234 CA GLU B 59 0.823 -10.327 -4.492 1.00 0.00 C ATOM 2235 C GLU B 59 1.989 -9.873 -5.369 1.00 0.00 C ATOM 2236 O GLU B 59 3.137 -9.868 -4.927 1.00 0.00 O ATOM 2237 CB GLU B 59 0.615 -11.840 -4.564 1.00 0.00 C ATOM 2238 CG GLU B 59 -0.435 -12.328 -3.571 1.00 0.00 C ATOM 2239 CD GLU B 59 -0.462 -13.832 -3.411 1.00 0.00 C ATOM 2240 OE1 GLU B 59 0.518 -14.394 -2.877 1.00 0.00 O ATOM 2241 OE2 GLU B 59 -1.481 -14.460 -3.779 1.00 0.00 O ATOM 0 H GLU B 59 -1.045 -10.163 -5.429 1.00 0.00 H new ATOM 0 HA GLU B 59 1.078 -10.076 -3.462 1.00 0.00 H new ATOM 0 HB2 GLU B 59 0.312 -12.115 -5.574 1.00 0.00 H new ATOM 0 HB3 GLU B 59 1.561 -12.344 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -0.245 -11.871 -2.600 1.00 0.00 H new ATOM 0 HG3 GLU B 59 -1.418 -11.988 -3.897 1.00 0.00 H new ATOM 2248 N LYS B 60 1.692 -9.479 -6.608 1.00 0.00 N ATOM 2249 CA LYS B 60 2.687 -8.820 -7.456 1.00 0.00 C ATOM 2250 C LYS B 60 3.199 -7.553 -6.776 1.00 0.00 C ATOM 2251 O LYS B 60 4.403 -7.305 -6.719 1.00 0.00 O ATOM 2252 CB LYS B 60 2.092 -8.455 -8.818 1.00 0.00 C ATOM 2253 CG LYS B 60 1.867 -9.638 -9.746 1.00 0.00 C ATOM 2254 CD LYS B 60 1.102 -9.216 -10.993 1.00 0.00 C ATOM 2255 CE LYS B 60 1.845 -8.140 -11.776 1.00 0.00 C ATOM 2256 NZ LYS B 60 3.047 -8.675 -12.468 1.00 0.00 N ATOM 0 H LYS B 60 0.778 -9.603 -7.044 1.00 0.00 H new ATOM 0 HA LYS B 60 3.512 -9.516 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.140 -7.947 -8.660 1.00 0.00 H new ATOM 0 HB3 LYS B 60 2.755 -7.744 -9.311 1.00 0.00 H new ATOM 0 HG2 LYS B 60 2.827 -10.068 -10.032 1.00 0.00 H new ATOM 0 HG3 LYS B 60 1.313 -10.416 -9.221 1.00 0.00 H new ATOM 0 HD2 LYS B 60 0.941 -10.084 -11.632 1.00 0.00 H new ATOM 0 HD3 LYS B 60 0.118 -8.844 -10.707 1.00 0.00 H new ATOM 0 HE2 LYS B 60 1.172 -7.698 -12.511 1.00 0.00 H new ATOM 0 HE3 LYS B 60 2.144 -7.341 -11.097 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 3.519 -7.907 -12.987 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 3.703 -9.073 -11.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 2.761 -9.419 -13.136 1.00 0.00 H new ATOM 2270 N PHE B 61 2.265 -6.759 -6.265 1.00 0.00 N ATOM 2271 CA PHE B 61 2.592 -5.534 -5.544 1.00 0.00 C ATOM 2272 C PHE B 61 3.498 -5.828 -4.353 1.00 0.00 C ATOM 2273 O PHE B 61 4.485 -5.129 -4.123 1.00 0.00 O ATOM 2274 CB PHE B 61 1.302 -4.850 -5.077 1.00 0.00 C ATOM 2275 CG PHE B 61 1.522 -3.654 -4.198 1.00 0.00 C ATOM 2276 CD1 PHE B 61 1.943 -2.448 -4.733 1.00 0.00 C ATOM 2277 CD2 PHE B 61 1.300 -3.736 -2.834 1.00 0.00 C ATOM 2278 CE1 PHE B 61 2.140 -1.348 -3.922 1.00 0.00 C ATOM 2279 CE2 PHE B 61 1.493 -2.641 -2.019 1.00 0.00 C ATOM 2280 CZ PHE B 61 1.915 -1.443 -2.563 1.00 0.00 C ATOM 0 H PHE B 61 1.265 -6.945 -6.338 1.00 0.00 H new ATOM 0 HA PHE B 61 3.129 -4.866 -6.217 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.730 -4.543 -5.952 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.694 -5.576 -4.537 1.00 0.00 H new ATOM 0 HD1 PHE B 61 2.119 -2.367 -5.795 1.00 0.00 H new ATOM 0 HD2 PHE B 61 0.971 -4.670 -2.403 1.00 0.00 H new ATOM 0 HE1 PHE B 61 2.470 -0.413 -4.351 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.315 -2.719 -0.957 1.00 0.00 H new ATOM 0 HZ PHE B 61 2.068 -0.584 -1.927 1.00 0.00 H new ATOM 2290 N ALA B 62 3.161 -6.874 -3.607 1.00 0.00 N ATOM 2291 CA ALA B 62 3.949 -7.271 -2.451 1.00 0.00 C ATOM 2292 C ALA B 62 5.370 -7.646 -2.861 1.00 0.00 C ATOM 2293 O ALA B 62 6.333 -7.239 -2.212 1.00 0.00 O ATOM 2294 CB ALA B 62 3.280 -8.427 -1.724 1.00 0.00 C ATOM 0 H ALA B 62 2.346 -7.462 -3.784 1.00 0.00 H new ATOM 0 HA ALA B 62 4.008 -6.421 -1.772 1.00 0.00 H new ATOM 0 HB1 ALA B 62 3.883 -8.712 -0.862 1.00 0.00 H new ATOM 0 HB2 ALA B 62 2.289 -8.121 -1.389 1.00 0.00 H new ATOM 0 HB3 ALA B 62 3.189 -9.278 -2.400 1.00 0.00 H new ATOM 2300 N GLN B 63 5.498 -8.399 -3.951 1.00 0.00 N ATOM 2301 CA GLN B 63 6.810 -8.788 -4.459 1.00 0.00 C ATOM 2302 C GLN B 63 7.601 -7.547 -4.864 1.00 0.00 C ATOM 2303 O GLN B 63 8.800 -7.442 -4.596 1.00 0.00 O ATOM 2304 CB GLN B 63 6.665 -9.721 -5.664 1.00 0.00 C ATOM 2305 CG GLN B 63 7.675 -10.863 -5.692 1.00 0.00 C ATOM 2306 CD GLN B 63 9.115 -10.393 -5.658 1.00 0.00 C ATOM 2307 OE1 GLN B 63 9.707 -10.244 -4.591 1.00 0.00 O ATOM 2308 NE2 GLN B 63 9.688 -10.158 -6.827 1.00 0.00 N ATOM 0 H GLN B 63 4.712 -8.751 -4.497 1.00 0.00 H new ATOM 0 HA GLN B 63 7.343 -9.316 -3.668 1.00 0.00 H new ATOM 0 HB2 GLN B 63 5.659 -10.140 -5.667 1.00 0.00 H new ATOM 0 HB3 GLN B 63 6.769 -9.136 -6.578 1.00 0.00 H new ATOM 0 HG2 GLN B 63 7.494 -11.519 -4.840 1.00 0.00 H new ATOM 0 HG3 GLN B 63 7.516 -11.457 -6.592 1.00 0.00 H new ATOM 0 HE21 GLN B 63 9.161 -10.294 -7.690 1.00 0.00 H new ATOM 0 HE22 GLN B 63 10.657 -9.841 -6.866 1.00 0.00 H new ATOM 2317 N ALA B 64 6.917 -6.608 -5.505 1.00 0.00 N ATOM 2318 CA ALA B 64 7.531 -5.353 -5.910 1.00 0.00 C ATOM 2319 C ALA B 64 8.041 -4.594 -4.694 1.00 0.00 C ATOM 2320 O ALA B 64 9.128 -4.026 -4.725 1.00 0.00 O ATOM 2321 CB ALA B 64 6.544 -4.502 -6.697 1.00 0.00 C ATOM 0 H ALA B 64 5.932 -6.694 -5.756 1.00 0.00 H new ATOM 0 HA ALA B 64 8.379 -5.578 -6.557 1.00 0.00 H new ATOM 0 HB1 ALA B 64 7.022 -3.568 -6.991 1.00 0.00 H new ATOM 0 HB2 ALA B 64 6.227 -5.043 -7.588 1.00 0.00 H new ATOM 0 HB3 ALA B 64 5.675 -4.285 -6.076 1.00 0.00 H new ATOM 2327 N LEU B 65 7.262 -4.619 -3.619 1.00 0.00 N ATOM 2328 CA LEU B 65 7.637 -3.944 -2.381 1.00 0.00 C ATOM 2329 C LEU B 65 8.821 -4.650 -1.718 1.00 0.00 C ATOM 2330 O LEU B 65 9.665 -4.015 -1.087 1.00 0.00 O ATOM 2331 CB LEU B 65 6.443 -3.892 -1.423 1.00 0.00 C ATOM 2332 CG LEU B 65 6.597 -2.932 -0.243 1.00 0.00 C ATOM 2333 CD1 LEU B 65 6.785 -1.509 -0.744 1.00 0.00 C ATOM 2334 CD2 LEU B 65 5.386 -3.014 0.675 1.00 0.00 C ATOM 0 H LEU B 65 6.364 -5.101 -3.579 1.00 0.00 H new ATOM 0 HA LEU B 65 7.938 -2.924 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.556 -3.608 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU B 65 6.265 -4.895 -1.034 1.00 0.00 H new ATOM 0 HG LEU B 65 7.480 -3.223 0.326 1.00 0.00 H new ATOM 0 HD11 LEU B 65 6.893 -0.835 0.106 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.680 -1.457 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU B 65 5.917 -1.213 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.514 -2.324 1.509 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.488 -2.747 0.118 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.287 -4.030 1.057 1.00 0.00 H new ATOM 2346 N MET B 66 8.881 -5.968 -1.868 1.00 0.00 N ATOM 2347 CA MET B 66 10.007 -6.746 -1.351 1.00 0.00 C ATOM 2348 C MET B 66 11.262 -6.442 -2.159 1.00 0.00 C ATOM 2349 O MET B 66 12.381 -6.518 -1.652 1.00 0.00 O ATOM 2350 CB MET B 66 9.717 -8.251 -1.428 1.00 0.00 C ATOM 2351 CG MET B 66 8.492 -8.724 -0.653 1.00 0.00 C ATOM 2352 SD MET B 66 8.668 -8.595 1.142 1.00 0.00 S ATOM 2353 CE MET B 66 8.313 -6.861 1.409 1.00 0.00 C ATOM 0 H MET B 66 8.167 -6.521 -2.341 1.00 0.00 H new ATOM 0 HA MET B 66 10.157 -6.468 -0.308 1.00 0.00 H new ATOM 0 HB2 MET B 66 9.591 -8.526 -2.475 1.00 0.00 H new ATOM 0 HB3 MET B 66 10.589 -8.791 -1.059 1.00 0.00 H new ATOM 0 HG2 MET B 66 7.627 -8.139 -0.967 1.00 0.00 H new ATOM 0 HG3 MET B 66 8.287 -9.762 -0.915 1.00 0.00 H new ATOM 0 HE1 MET B 66 9.219 -6.350 1.736 1.00 0.00 H new ATOM 0 HE2 MET B 66 7.960 -6.414 0.479 1.00 0.00 H new ATOM 0 HE3 MET B 66 7.544 -6.761 2.175 1.00 0.00 H new ATOM 2363 N SER B 67 11.057 -6.096 -3.421 1.00 0.00 N ATOM 2364 CA SER B 67 12.153 -5.821 -4.333 1.00 0.00 C ATOM 2365 C SER B 67 12.634 -4.375 -4.208 1.00 0.00 C ATOM 2366 O SER B 67 13.823 -4.094 -4.379 1.00 0.00 O ATOM 2367 CB SER B 67 11.718 -6.134 -5.767 1.00 0.00 C ATOM 2368 OG SER B 67 11.388 -7.510 -5.903 1.00 0.00 O ATOM 0 H SER B 67 10.131 -5.999 -3.838 1.00 0.00 H new ATOM 0 HA SER B 67 12.994 -6.462 -4.069 1.00 0.00 H new ATOM 0 HB2 SER B 67 10.857 -5.520 -6.033 1.00 0.00 H new ATOM 0 HB3 SER B 67 12.519 -5.877 -6.460 1.00 0.00 H new ATOM 0 HG SER B 67 10.511 -7.677 -5.500 1.00 0.00 H new ATOM 2374 N SER B 68 11.717 -3.460 -3.903 1.00 0.00 N ATOM 2375 CA SER B 68 12.078 -2.068 -3.681 1.00 0.00 C ATOM 2376 C SER B 68 12.725 -1.904 -2.309 1.00 0.00 C ATOM 2377 O SER B 68 13.501 -0.974 -2.077 1.00 0.00 O ATOM 2378 CB SER B 68 10.847 -1.166 -3.809 1.00 0.00 C ATOM 2379 OG SER B 68 9.804 -1.586 -2.944 1.00 0.00 O ATOM 0 H SER B 68 10.722 -3.660 -3.805 1.00 0.00 H new ATOM 0 HA SER B 68 12.799 -1.769 -4.442 1.00 0.00 H new ATOM 0 HB2 SER B 68 11.122 -0.137 -3.576 1.00 0.00 H new ATOM 0 HB3 SER B 68 10.493 -1.176 -4.840 1.00 0.00 H new ATOM 0 HG SER B 68 9.326 -0.801 -2.603 1.00 0.00 H new ATOM 2385 N LEU B 69 12.397 -2.827 -1.408 1.00 0.00 N ATOM 2386 CA LEU B 69 12.983 -2.864 -0.079 1.00 0.00 C ATOM 2387 C LEU B 69 14.503 -2.963 -0.167 1.00 0.00 C ATOM 2388 O LEU B 69 15.040 -3.818 -0.875 1.00 0.00 O ATOM 2389 CB LEU B 69 12.411 -4.046 0.708 1.00 0.00 C ATOM 2390 CG LEU B 69 12.947 -4.215 2.130 1.00 0.00 C ATOM 2391 CD1 LEU B 69 12.664 -2.974 2.965 1.00 0.00 C ATOM 2392 CD2 LEU B 69 12.339 -5.447 2.779 1.00 0.00 C ATOM 0 H LEU B 69 11.718 -3.568 -1.583 1.00 0.00 H new ATOM 0 HA LEU B 69 12.733 -1.940 0.443 1.00 0.00 H new ATOM 0 HB2 LEU B 69 11.328 -3.936 0.758 1.00 0.00 H new ATOM 0 HB3 LEU B 69 12.613 -4.961 0.152 1.00 0.00 H new ATOM 0 HG LEU B 69 14.028 -4.348 2.077 1.00 0.00 H new ATOM 0 HD11 LEU B 69 13.054 -3.117 3.973 1.00 0.00 H new ATOM 0 HD12 LEU B 69 13.147 -2.110 2.508 1.00 0.00 H new ATOM 0 HD13 LEU B 69 11.588 -2.805 3.013 1.00 0.00 H new ATOM 0 HD21 LEU B 69 12.729 -5.555 3.791 1.00 0.00 H new ATOM 0 HD22 LEU B 69 11.255 -5.340 2.818 1.00 0.00 H new ATOM 0 HD23 LEU B 69 12.596 -6.330 2.195 1.00 0.00 H new