USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1017 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 48 LYS NZ :NH3+ -177:sc= 2.05 (180deg=0.986) USER MOD Set 1.2: B 33 SER OG : rot 74:sc= 1.97 USER MOD Set 2.1: A 26 HIS : no HD1:sc= 1.1 K(o=0.77,f=-5.7!) USER MOD Set 2.2: B 11 GLN : amide:sc= -0.328 X(o=0.77,f=0.58) USER MOD Single : A 8 SER OG : rot 32:sc= 0.155 USER MOD Single : A 9 ASN : amide:sc= -0.0407 X(o=-0.041,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.13) USER MOD Single : A 14 SER OG : rot 83:sc= 1.31 USER MOD Single : A 25 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.18) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= -1.68! (180deg=-2.8!) USER MOD Single : A 30 THR OG1 : rot 107:sc= -1.81! USER MOD Single : A 33 SER OG : rot -91:sc= 0.319 USER MOD Single : A 35 MET CE :methyl 145:sc= -0.263 (180deg=-0.961) USER MOD Single : A 39 ASN : amide:sc= 1.16 K(o=1.2,f=-0.037) USER MOD Single : A 40 CYS SG : rot -10:sc= -3.65! USER MOD Single : A 42 THR OG1 : rot 96:sc= -1.07! USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.0719 F(o=-1.4!,f=-0.072) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 68 SER OG : rot -82:sc= 0.742 USER MOD Single : A 70 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.155) USER MOD Single : B 8 SER OG : rot -21:sc= 0.417 USER MOD Single : B 9 ASN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 91:sc= 1.31 USER MOD Single : B 25 LYS NZ :NH3+ 172:sc=-3.36e-05 (180deg=-0.0578) USER MOD Single : B 26 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-6.8!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.354 USER MOD Single : B 35 MET CE :methyl -159:sc= -0.15 (180deg=-0.718) USER MOD Single : B 39 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0067) USER MOD Single : B 40 CYS SG : rot 77:sc= 0.29 USER MOD Single : B 42 THR OG1 : rot 180:sc= 0.00408 USER MOD Single : B 43 HIS : no HE2:sc= -1.96! C(o=-2!,f=-9.1!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 53 SER OG : rot 180:sc= -0.16 USER MOD Single : B 55 GLN : amide:sc= 0.0473 K(o=0.047,f=-0.8) USER MOD Single : B 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 70 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0053) USER MOD Single : B 71 SER OG : rot -23:sc= 0.369 USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 8 -1.960 19.183 -2.859 1.00 0.00 N ATOM 121 CA SER A 8 -0.755 19.495 -3.610 1.00 0.00 C ATOM 122 C SER A 8 0.388 18.590 -3.163 1.00 0.00 C ATOM 123 O SER A 8 0.229 17.816 -2.215 1.00 0.00 O ATOM 124 CB SER A 8 -0.381 20.965 -3.412 1.00 0.00 C ATOM 125 OG SER A 8 -1.474 21.810 -3.730 1.00 0.00 O ATOM 0 HA SER A 8 -0.941 19.322 -4.670 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.076 21.131 -2.379 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.473 21.215 -4.041 1.00 0.00 H new ATOM 0 HG SER A 8 -2.314 21.352 -3.518 1.00 0.00 H new ATOM 131 N ASN A 9 1.534 18.697 -3.835 1.00 0.00 N ATOM 132 CA ASN A 9 2.693 17.857 -3.534 1.00 0.00 C ATOM 133 C ASN A 9 3.072 17.946 -2.061 1.00 0.00 C ATOM 134 O ASN A 9 3.207 16.927 -1.383 1.00 0.00 O ATOM 135 CB ASN A 9 3.891 18.265 -4.400 1.00 0.00 C ATOM 136 CG ASN A 9 5.113 17.396 -4.152 1.00 0.00 C ATOM 137 OD1 ASN A 9 5.276 16.350 -4.777 1.00 0.00 O ATOM 138 ND2 ASN A 9 5.987 17.826 -3.252 1.00 0.00 N ATOM 0 H ASN A 9 1.685 19.360 -4.595 1.00 0.00 H new ATOM 0 HA ASN A 9 2.420 16.826 -3.759 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.612 18.202 -5.452 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.143 19.306 -4.198 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.829 17.283 -3.059 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.817 18.699 -2.753 1.00 0.00 H new ATOM 145 N THR A 10 3.217 19.168 -1.567 1.00 0.00 N ATOM 146 CA THR A 10 3.616 19.395 -0.185 1.00 0.00 C ATOM 147 C THR A 10 2.565 18.852 0.785 1.00 0.00 C ATOM 148 O THR A 10 2.893 18.398 1.882 1.00 0.00 O ATOM 149 CB THR A 10 3.839 20.897 0.079 1.00 0.00 C ATOM 150 OG1 THR A 10 4.637 21.455 -0.974 1.00 0.00 O ATOM 151 CG2 THR A 10 4.535 21.121 1.414 1.00 0.00 C ATOM 0 H THR A 10 3.063 20.021 -2.105 1.00 0.00 H new ATOM 0 HA THR A 10 4.553 18.863 -0.020 1.00 0.00 H new ATOM 0 HB THR A 10 2.866 21.388 0.111 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.777 22.410 -0.807 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.680 22.189 1.574 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.921 20.713 2.217 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.503 20.621 1.408 1.00 0.00 H new ATOM 159 N GLN A 11 1.304 18.877 0.367 1.00 0.00 N ATOM 160 CA GLN A 11 0.215 18.389 1.202 1.00 0.00 C ATOM 161 C GLN A 11 0.310 16.875 1.359 1.00 0.00 C ATOM 162 O GLN A 11 0.188 16.351 2.467 1.00 0.00 O ATOM 163 CB GLN A 11 -1.140 18.773 0.605 1.00 0.00 C ATOM 164 CG GLN A 11 -2.323 18.411 1.491 1.00 0.00 C ATOM 165 CD GLN A 11 -2.261 19.087 2.848 1.00 0.00 C ATOM 166 OE1 GLN A 11 -2.760 20.195 3.026 1.00 0.00 O ATOM 167 NE2 GLN A 11 -1.646 18.424 3.813 1.00 0.00 N ATOM 0 H GLN A 11 1.012 19.230 -0.544 1.00 0.00 H new ATOM 0 HA GLN A 11 0.302 18.853 2.184 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.153 19.847 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.255 18.279 -0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.248 18.694 0.990 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.353 17.330 1.628 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.244 17.505 3.625 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.573 18.831 4.745 1.00 0.00 H new ATOM 176 N VAL A 12 0.537 16.184 0.248 1.00 0.00 N ATOM 177 CA VAL A 12 0.721 14.738 0.270 1.00 0.00 C ATOM 178 C VAL A 12 1.971 14.391 1.070 1.00 0.00 C ATOM 179 O VAL A 12 1.957 13.491 1.910 1.00 0.00 O ATOM 180 CB VAL A 12 0.847 14.157 -1.157 1.00 0.00 C ATOM 181 CG1 VAL A 12 0.954 12.639 -1.118 1.00 0.00 C ATOM 182 CG2 VAL A 12 -0.330 14.590 -2.019 1.00 0.00 C ATOM 0 H VAL A 12 0.598 16.602 -0.680 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.159 14.297 0.739 1.00 0.00 H new ATOM 0 HB VAL A 12 1.761 14.549 -1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.042 12.254 -2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.835 12.351 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.063 12.223 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.222 14.171 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.258 14.232 -1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.354 15.678 -2.082 1.00 0.00 H new ATOM 192 N GLU A 13 3.039 15.141 0.811 1.00 0.00 N ATOM 193 CA GLU A 13 4.303 14.990 1.524 1.00 0.00 C ATOM 194 C GLU A 13 4.091 15.092 3.034 1.00 0.00 C ATOM 195 O GLU A 13 4.629 14.294 3.803 1.00 0.00 O ATOM 196 CB GLU A 13 5.276 16.075 1.056 1.00 0.00 C ATOM 197 CG GLU A 13 6.673 15.962 1.636 1.00 0.00 C ATOM 198 CD GLU A 13 7.553 17.126 1.232 1.00 0.00 C ATOM 199 OE1 GLU A 13 7.932 17.208 0.044 1.00 0.00 O ATOM 200 OE2 GLU A 13 7.859 17.972 2.096 1.00 0.00 O ATOM 0 H GLU A 13 3.052 15.872 0.099 1.00 0.00 H new ATOM 0 HA GLU A 13 4.717 14.005 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.344 16.039 -0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.866 17.050 1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.611 15.915 2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.129 15.030 1.302 1.00 0.00 H new ATOM 207 N SER A 14 3.288 16.068 3.443 1.00 0.00 N ATOM 208 CA SER A 14 2.996 16.287 4.853 1.00 0.00 C ATOM 209 C SER A 14 2.292 15.076 5.466 1.00 0.00 C ATOM 210 O SER A 14 2.590 14.682 6.595 1.00 0.00 O ATOM 211 CB SER A 14 2.137 17.541 5.025 1.00 0.00 C ATOM 212 OG SER A 14 2.814 18.694 4.543 1.00 0.00 O ATOM 0 H SER A 14 2.826 16.723 2.813 1.00 0.00 H new ATOM 0 HA SER A 14 3.942 16.428 5.376 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.196 17.417 4.489 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.889 17.674 6.078 1.00 0.00 H new ATOM 0 HG SER A 14 2.701 18.757 3.572 1.00 0.00 H new ATOM 218 N LEU A 15 1.366 14.482 4.721 1.00 0.00 N ATOM 219 CA LEU A 15 0.654 13.312 5.212 1.00 0.00 C ATOM 220 C LEU A 15 1.577 12.107 5.282 1.00 0.00 C ATOM 221 O LEU A 15 1.591 11.399 6.285 1.00 0.00 O ATOM 222 CB LEU A 15 -0.571 12.988 4.353 1.00 0.00 C ATOM 223 CG LEU A 15 -1.886 13.597 4.849 1.00 0.00 C ATOM 224 CD1 LEU A 15 -1.920 15.098 4.610 1.00 0.00 C ATOM 225 CD2 LEU A 15 -3.073 12.915 4.189 1.00 0.00 C ATOM 0 H LEU A 15 1.094 14.788 3.787 1.00 0.00 H new ATOM 0 HA LEU A 15 0.304 13.548 6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.387 13.337 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.685 11.905 4.303 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.951 13.431 5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.865 15.503 4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.095 15.570 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.824 15.299 3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.998 13.361 4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.011 13.042 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.063 11.852 4.431 1.00 0.00 H new ATOM 237 N ILE A 16 2.355 11.889 4.224 1.00 0.00 N ATOM 238 CA ILE A 16 3.303 10.779 4.186 1.00 0.00 C ATOM 239 C ILE A 16 4.245 10.840 5.384 1.00 0.00 C ATOM 240 O ILE A 16 4.442 9.844 6.077 1.00 0.00 O ATOM 241 CB ILE A 16 4.130 10.780 2.880 1.00 0.00 C ATOM 242 CG1 ILE A 16 3.208 10.602 1.670 1.00 0.00 C ATOM 243 CG2 ILE A 16 5.188 9.681 2.910 1.00 0.00 C ATOM 244 CD1 ILE A 16 3.924 10.694 0.340 1.00 0.00 C ATOM 0 H ILE A 16 2.347 12.466 3.383 1.00 0.00 H new ATOM 0 HA ILE A 16 2.723 9.857 4.224 1.00 0.00 H new ATOM 0 HB ILE A 16 4.639 11.740 2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.714 9.633 1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.427 11.361 1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.758 9.700 1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.860 9.846 3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.702 8.711 3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.207 10.558 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.395 11.673 0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.687 9.917 0.283 1.00 0.00 H new ATOM 256 N ALA A 17 4.791 12.024 5.638 1.00 0.00 N ATOM 257 CA ALA A 17 5.709 12.224 6.753 1.00 0.00 C ATOM 258 C ALA A 17 5.047 11.892 8.088 1.00 0.00 C ATOM 259 O ALA A 17 5.677 11.313 8.971 1.00 0.00 O ATOM 260 CB ALA A 17 6.222 13.655 6.758 1.00 0.00 C ATOM 0 H ALA A 17 4.613 12.862 5.085 1.00 0.00 H new ATOM 0 HA ALA A 17 6.551 11.544 6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.907 13.793 7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.746 13.857 5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.382 14.342 6.859 1.00 0.00 H new ATOM 266 N GLU A 18 3.775 12.245 8.224 1.00 0.00 N ATOM 267 CA GLU A 18 3.035 12.002 9.457 1.00 0.00 C ATOM 268 C GLU A 18 2.813 10.498 9.649 1.00 0.00 C ATOM 269 O GLU A 18 2.953 9.964 10.757 1.00 0.00 O ATOM 270 CB GLU A 18 1.704 12.757 9.412 1.00 0.00 C ATOM 271 CG GLU A 18 1.058 12.972 10.772 1.00 0.00 C ATOM 272 CD GLU A 18 -0.079 13.973 10.713 1.00 0.00 C ATOM 273 OE1 GLU A 18 0.191 15.169 10.477 1.00 0.00 O ATOM 274 OE2 GLU A 18 -1.246 13.575 10.895 1.00 0.00 O ATOM 0 H GLU A 18 3.232 12.703 7.492 1.00 0.00 H new ATOM 0 HA GLU A 18 3.610 12.367 10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.866 13.727 8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.010 12.208 8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.683 12.020 11.149 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.811 13.321 11.479 1.00 0.00 H new ATOM 281 N ILE A 19 2.497 9.814 8.556 1.00 0.00 N ATOM 282 CA ILE A 19 2.332 8.366 8.579 1.00 0.00 C ATOM 283 C ILE A 19 3.671 7.696 8.887 1.00 0.00 C ATOM 284 O ILE A 19 3.728 6.670 9.570 1.00 0.00 O ATOM 285 CB ILE A 19 1.792 7.832 7.234 1.00 0.00 C ATOM 286 CG1 ILE A 19 0.565 8.629 6.791 1.00 0.00 C ATOM 287 CG2 ILE A 19 1.431 6.362 7.362 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.101 8.297 5.388 1.00 0.00 C ATOM 0 H ILE A 19 2.350 10.240 7.641 1.00 0.00 H new ATOM 0 HA ILE A 19 1.606 8.128 9.357 1.00 0.00 H new ATOM 0 HB ILE A 19 2.573 7.946 6.482 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.251 8.441 7.489 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.794 9.693 6.847 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.051 5.996 6.408 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.317 5.793 7.642 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.665 6.241 8.128 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.773 8.900 5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.901 8.511 4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.160 7.240 5.332 1.00 0.00 H new ATOM 300 N LEU A 20 4.748 8.292 8.384 1.00 0.00 N ATOM 301 CA LEU A 20 6.094 7.811 8.667 1.00 0.00 C ATOM 302 C LEU A 20 6.405 7.947 10.150 1.00 0.00 C ATOM 303 O LEU A 20 7.096 7.106 10.717 1.00 0.00 O ATOM 304 CB LEU A 20 7.136 8.573 7.843 1.00 0.00 C ATOM 305 CG LEU A 20 7.043 8.377 6.328 1.00 0.00 C ATOM 306 CD1 LEU A 20 8.146 9.149 5.622 1.00 0.00 C ATOM 307 CD2 LEU A 20 7.114 6.899 5.974 1.00 0.00 C ATOM 0 H LEU A 20 4.713 9.111 7.777 1.00 0.00 H new ATOM 0 HA LEU A 20 6.139 6.758 8.389 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.041 9.637 8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.129 8.268 8.172 1.00 0.00 H new ATOM 0 HG LEU A 20 6.082 8.764 5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.064 8.998 4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.049 10.211 5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.117 8.792 5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.046 6.780 4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.059 6.486 6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.288 6.371 6.449 1.00 0.00 H new ATOM 319 N VAL A 21 5.888 9.004 10.773 1.00 0.00 N ATOM 320 CA VAL A 21 6.027 9.185 12.214 1.00 0.00 C ATOM 321 C VAL A 21 5.403 8.005 12.948 1.00 0.00 C ATOM 322 O VAL A 21 5.955 7.508 13.927 1.00 0.00 O ATOM 323 CB VAL A 21 5.374 10.499 12.701 1.00 0.00 C ATOM 324 CG1 VAL A 21 5.432 10.610 14.219 1.00 0.00 C ATOM 325 CG2 VAL A 21 6.048 11.701 12.059 1.00 0.00 C ATOM 0 H VAL A 21 5.370 9.746 10.302 1.00 0.00 H new ATOM 0 HA VAL A 21 7.093 9.241 12.433 1.00 0.00 H new ATOM 0 HB VAL A 21 4.326 10.483 12.400 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.966 11.544 14.534 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.900 9.770 14.666 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.472 10.596 14.545 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.575 12.616 12.414 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.105 11.712 12.327 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.949 11.638 10.975 1.00 0.00 H new ATOM 335 N VAL A 22 4.252 7.554 12.460 1.00 0.00 N ATOM 336 CA VAL A 22 3.602 6.368 13.014 1.00 0.00 C ATOM 337 C VAL A 22 4.523 5.152 12.923 1.00 0.00 C ATOM 338 O VAL A 22 4.813 4.500 13.931 1.00 0.00 O ATOM 339 CB VAL A 22 2.284 6.050 12.286 1.00 0.00 C ATOM 340 CG1 VAL A 22 1.593 4.858 12.928 1.00 0.00 C ATOM 341 CG2 VAL A 22 1.373 7.263 12.281 1.00 0.00 C ATOM 0 H VAL A 22 3.751 7.989 11.685 1.00 0.00 H new ATOM 0 HA VAL A 22 3.383 6.587 14.059 1.00 0.00 H new ATOM 0 HB VAL A 22 2.514 5.793 11.252 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.663 4.648 12.399 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.245 3.987 12.874 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.374 5.083 13.972 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.446 7.020 11.762 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.149 7.554 13.307 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.869 8.088 11.770 1.00 0.00 H new ATOM 351 N LEU A 23 4.972 4.847 11.709 1.00 0.00 N ATOM 352 CA LEU A 23 5.913 3.750 11.483 1.00 0.00 C ATOM 353 C LEU A 23 7.167 3.890 12.351 1.00 0.00 C ATOM 354 O LEU A 23 7.626 2.918 12.959 1.00 0.00 O ATOM 355 CB LEU A 23 6.314 3.694 10.006 1.00 0.00 C ATOM 356 CG LEU A 23 5.192 3.311 9.040 1.00 0.00 C ATOM 357 CD1 LEU A 23 5.667 3.427 7.601 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.707 1.897 9.326 1.00 0.00 C ATOM 0 H LEU A 23 4.699 5.345 10.862 1.00 0.00 H new ATOM 0 HA LEU A 23 5.410 2.824 11.763 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.705 4.669 9.715 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.128 2.978 9.894 1.00 0.00 H new ATOM 0 HG LEU A 23 4.360 4.000 9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.856 3.151 6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.972 4.454 7.400 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.514 2.759 7.442 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.908 1.639 8.631 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.534 1.197 9.205 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.331 1.841 10.347 1.00 0.00 H new ATOM 370 N GLU A 24 7.707 5.102 12.418 1.00 0.00 N ATOM 371 CA GLU A 24 8.942 5.360 13.150 1.00 0.00 C ATOM 372 C GLU A 24 8.722 5.261 14.660 1.00 0.00 C ATOM 373 O GLU A 24 9.634 4.891 15.400 1.00 0.00 O ATOM 374 CB GLU A 24 9.497 6.738 12.781 1.00 0.00 C ATOM 375 CG GLU A 24 10.883 7.009 13.340 1.00 0.00 C ATOM 376 CD GLU A 24 11.444 8.343 12.894 1.00 0.00 C ATOM 377 OE1 GLU A 24 11.987 8.418 11.772 1.00 0.00 O ATOM 378 OE2 GLU A 24 11.360 9.320 13.668 1.00 0.00 O ATOM 0 H GLU A 24 7.306 5.926 11.971 1.00 0.00 H new ATOM 0 HA GLU A 24 9.668 4.598 12.867 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.529 6.828 11.695 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.812 7.505 13.144 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.842 6.983 14.429 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.558 6.213 13.027 1.00 0.00 H new ATOM 385 N LYS A 25 7.511 5.579 15.107 1.00 0.00 N ATOM 386 CA LYS A 25 7.161 5.489 16.523 1.00 0.00 C ATOM 387 C LYS A 25 7.422 4.084 17.055 1.00 0.00 C ATOM 388 O LYS A 25 7.971 3.907 18.147 1.00 0.00 O ATOM 389 CB LYS A 25 5.686 5.845 16.733 1.00 0.00 C ATOM 390 CG LYS A 25 5.252 5.776 18.189 1.00 0.00 C ATOM 391 CD LYS A 25 3.743 5.879 18.347 1.00 0.00 C ATOM 392 CE LYS A 25 3.200 7.196 17.818 1.00 0.00 C ATOM 393 NZ LYS A 25 1.783 7.408 18.218 1.00 0.00 N ATOM 0 H LYS A 25 6.752 5.903 14.507 1.00 0.00 H new ATOM 0 HA LYS A 25 7.785 6.197 17.068 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.505 6.851 16.354 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.068 5.167 16.144 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.598 4.839 18.625 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.729 6.582 18.747 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.267 5.053 17.819 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.482 5.777 19.400 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.810 8.018 18.192 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.277 7.211 16.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.453 8.324 17.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.194 6.646 17.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.711 7.402 19.255 1.00 0.00 H new ATOM 407 N HIS A 26 7.040 3.091 16.266 1.00 0.00 N ATOM 408 CA HIS A 26 7.204 1.697 16.655 1.00 0.00 C ATOM 409 C HIS A 26 8.566 1.172 16.229 1.00 0.00 C ATOM 410 O HIS A 26 8.956 0.072 16.615 1.00 0.00 O ATOM 411 CB HIS A 26 6.106 0.828 16.033 1.00 0.00 C ATOM 412 CG HIS A 26 4.745 1.048 16.615 1.00 0.00 C ATOM 413 ND1 HIS A 26 4.231 0.275 17.630 1.00 0.00 N ATOM 414 CD2 HIS A 26 3.786 1.952 16.312 1.00 0.00 C ATOM 415 CE1 HIS A 26 3.015 0.693 17.927 1.00 0.00 C ATOM 416 NE2 HIS A 26 2.720 1.714 17.142 1.00 0.00 N ATOM 0 H HIS A 26 6.613 3.225 15.349 1.00 0.00 H new ATOM 0 HA HIS A 26 7.128 1.646 17.741 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.067 1.024 14.962 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.376 -0.221 16.155 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.848 2.720 15.555 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.370 0.272 18.684 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.845 2.238 17.152 1.00 0.00 H new ATOM 425 N LYS A 27 9.282 1.974 15.442 1.00 0.00 N ATOM 426 CA LYS A 27 10.556 1.563 14.861 1.00 0.00 C ATOM 427 C LYS A 27 10.344 0.310 14.012 1.00 0.00 C ATOM 428 O LYS A 27 10.913 -0.752 14.271 1.00 0.00 O ATOM 429 CB LYS A 27 11.602 1.323 15.961 1.00 0.00 C ATOM 430 CG LYS A 27 13.016 1.099 15.439 1.00 0.00 C ATOM 431 CD LYS A 27 14.011 0.866 16.571 1.00 0.00 C ATOM 432 CE LYS A 27 14.501 2.166 17.206 1.00 0.00 C ATOM 433 NZ LYS A 27 13.404 2.966 17.818 1.00 0.00 N ATOM 0 H LYS A 27 8.996 2.921 15.191 1.00 0.00 H new ATOM 0 HA LYS A 27 10.936 2.359 14.221 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.607 2.179 16.635 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.302 0.456 16.549 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.023 0.241 14.767 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.328 1.964 14.854 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.544 0.246 17.337 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.866 0.309 16.188 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.243 1.933 17.970 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.002 2.768 16.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.791 3.561 18.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.969 3.570 17.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.685 2.326 18.212 1.00 0.00 H new ATOM 447 N ALA A 28 9.480 0.443 13.016 1.00 0.00 N ATOM 448 CA ALA A 28 9.114 -0.676 12.164 1.00 0.00 C ATOM 449 C ALA A 28 10.128 -0.877 11.046 1.00 0.00 C ATOM 450 O ALA A 28 10.415 0.045 10.282 1.00 0.00 O ATOM 451 CB ALA A 28 7.725 -0.456 11.583 1.00 0.00 C ATOM 0 H ALA A 28 9.018 1.321 12.778 1.00 0.00 H new ATOM 0 HA ALA A 28 9.108 -1.579 12.775 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.459 -1.300 10.946 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.001 -0.371 12.393 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.718 0.460 10.993 1.00 0.00 H new ATOM 457 N PRO A 29 10.689 -2.091 10.942 1.00 0.00 N ATOM 458 CA PRO A 29 11.609 -2.445 9.860 1.00 0.00 C ATOM 459 C PRO A 29 10.883 -2.559 8.523 1.00 0.00 C ATOM 460 O PRO A 29 9.650 -2.516 8.472 1.00 0.00 O ATOM 461 CB PRO A 29 12.162 -3.806 10.289 1.00 0.00 C ATOM 462 CG PRO A 29 11.111 -4.380 11.172 1.00 0.00 C ATOM 463 CD PRO A 29 10.475 -3.212 11.875 1.00 0.00 C ATOM 0 HA PRO A 29 12.383 -1.692 9.711 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.349 -4.447 9.427 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.109 -3.700 10.818 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.374 -4.934 10.591 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.543 -5.079 11.889 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.415 -3.384 12.060 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.941 -3.024 12.842 1.00 0.00 H new ATOM 471 N THR A 30 11.640 -2.724 7.449 1.00 0.00 N ATOM 472 CA THR A 30 11.068 -2.804 6.112 1.00 0.00 C ATOM 473 C THR A 30 10.164 -4.029 5.979 1.00 0.00 C ATOM 474 O THR A 30 9.156 -3.999 5.275 1.00 0.00 O ATOM 475 CB THR A 30 12.182 -2.858 5.053 1.00 0.00 C ATOM 476 OG1 THR A 30 13.129 -1.813 5.314 1.00 0.00 O ATOM 477 CG2 THR A 30 11.618 -2.694 3.648 1.00 0.00 C ATOM 0 H THR A 30 12.656 -2.806 7.477 1.00 0.00 H new ATOM 0 HA THR A 30 10.467 -1.910 5.949 1.00 0.00 H new ATOM 0 HB THR A 30 12.668 -3.832 5.111 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.953 -2.201 5.676 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.430 -2.737 2.923 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.908 -3.496 3.445 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.111 -1.732 3.569 1.00 0.00 H new ATOM 485 N ASP A 31 10.519 -5.091 6.689 1.00 0.00 N ATOM 486 CA ASP A 31 9.749 -6.329 6.659 1.00 0.00 C ATOM 487 C ASP A 31 8.353 -6.092 7.222 1.00 0.00 C ATOM 488 O ASP A 31 7.345 -6.401 6.585 1.00 0.00 O ATOM 489 CB ASP A 31 10.447 -7.414 7.489 1.00 0.00 C ATOM 490 CG ASP A 31 11.954 -7.383 7.356 1.00 0.00 C ATOM 491 OD1 ASP A 31 12.496 -7.986 6.409 1.00 0.00 O ATOM 492 OD2 ASP A 31 12.608 -6.739 8.204 1.00 0.00 O ATOM 0 H ASP A 31 11.339 -5.121 7.295 1.00 0.00 H new ATOM 0 HA ASP A 31 9.675 -6.660 5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.178 -7.290 8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.081 -8.393 7.179 1.00 0.00 H new ATOM 497 N LEU A 32 8.311 -5.511 8.416 1.00 0.00 N ATOM 498 CA LEU A 32 7.060 -5.303 9.131 1.00 0.00 C ATOM 499 C LEU A 32 6.217 -4.215 8.471 1.00 0.00 C ATOM 500 O LEU A 32 4.988 -4.289 8.471 1.00 0.00 O ATOM 501 CB LEU A 32 7.347 -4.947 10.593 1.00 0.00 C ATOM 502 CG LEU A 32 6.115 -4.761 11.483 1.00 0.00 C ATOM 503 CD1 LEU A 32 5.264 -6.021 11.494 1.00 0.00 C ATOM 504 CD2 LEU A 32 6.538 -4.397 12.898 1.00 0.00 C ATOM 0 H LEU A 32 9.137 -5.174 8.911 1.00 0.00 H new ATOM 0 HA LEU A 32 6.488 -6.230 9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.969 -5.732 11.024 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.932 -4.028 10.616 1.00 0.00 H new ATOM 0 HG LEU A 32 5.516 -3.947 11.075 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.394 -5.867 12.132 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.934 -6.246 10.480 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.853 -6.854 11.878 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.653 -4.268 13.520 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.157 -5.194 13.309 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.108 -3.468 12.880 1.00 0.00 H new ATOM 516 N SER A 33 6.872 -3.211 7.904 1.00 0.00 N ATOM 517 CA SER A 33 6.156 -2.127 7.252 1.00 0.00 C ATOM 518 C SER A 33 5.470 -2.618 5.977 1.00 0.00 C ATOM 519 O SER A 33 4.316 -2.282 5.731 1.00 0.00 O ATOM 520 CB SER A 33 7.093 -0.954 6.959 1.00 0.00 C ATOM 521 OG SER A 33 8.320 -1.402 6.420 1.00 0.00 O ATOM 0 H SER A 33 7.888 -3.126 7.883 1.00 0.00 H new ATOM 0 HA SER A 33 5.382 -1.773 7.933 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.614 -0.269 6.260 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.278 -0.395 7.876 1.00 0.00 H new ATOM 0 HG SER A 33 8.961 -1.552 7.146 1.00 0.00 H new ATOM 527 N LEU A 34 6.168 -3.431 5.184 1.00 0.00 N ATOM 528 CA LEU A 34 5.566 -4.034 3.994 1.00 0.00 C ATOM 529 C LEU A 34 4.344 -4.865 4.380 1.00 0.00 C ATOM 530 O LEU A 34 3.312 -4.826 3.705 1.00 0.00 O ATOM 531 CB LEU A 34 6.579 -4.915 3.256 1.00 0.00 C ATOM 532 CG LEU A 34 7.727 -4.170 2.568 1.00 0.00 C ATOM 533 CD1 LEU A 34 8.737 -5.158 2.003 1.00 0.00 C ATOM 534 CD2 LEU A 34 7.193 -3.271 1.463 1.00 0.00 C ATOM 0 H LEU A 34 7.143 -3.686 5.342 1.00 0.00 H new ATOM 0 HA LEU A 34 5.256 -3.228 3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.004 -5.623 3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.047 -5.499 2.505 1.00 0.00 H new ATOM 0 HG LEU A 34 8.227 -3.547 3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.547 -4.613 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.143 -5.766 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.246 -5.804 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.023 -2.750 0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.670 -3.876 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.503 -2.542 1.888 1.00 0.00 H new ATOM 546 N MET A 35 4.472 -5.602 5.479 1.00 0.00 N ATOM 547 CA MET A 35 3.375 -6.412 6.007 1.00 0.00 C ATOM 548 C MET A 35 2.180 -5.531 6.369 1.00 0.00 C ATOM 549 O MET A 35 1.041 -5.832 6.016 1.00 0.00 O ATOM 550 CB MET A 35 3.847 -7.190 7.241 1.00 0.00 C ATOM 551 CG MET A 35 2.788 -8.100 7.854 1.00 0.00 C ATOM 552 SD MET A 35 2.360 -9.502 6.796 1.00 0.00 S ATOM 553 CE MET A 35 3.959 -10.293 6.623 1.00 0.00 C ATOM 0 H MET A 35 5.331 -5.656 6.026 1.00 0.00 H new ATOM 0 HA MET A 35 3.063 -7.117 5.237 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.712 -7.793 6.966 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.181 -6.480 7.998 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.148 -8.473 8.813 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.889 -7.517 8.056 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.827 -11.374 6.580 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.438 -9.949 5.706 1.00 0.00 H new ATOM 0 HE3 MET A 35 4.586 -10.038 7.478 1.00 0.00 H new ATOM 563 N ALA A 36 2.454 -4.435 7.068 1.00 0.00 N ATOM 564 CA ALA A 36 1.409 -3.507 7.480 1.00 0.00 C ATOM 565 C ALA A 36 0.780 -2.818 6.272 1.00 0.00 C ATOM 566 O ALA A 36 -0.444 -2.730 6.169 1.00 0.00 O ATOM 567 CB ALA A 36 1.970 -2.476 8.447 1.00 0.00 C ATOM 0 H ALA A 36 3.394 -4.168 7.361 1.00 0.00 H new ATOM 0 HA ALA A 36 0.630 -4.076 7.987 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.178 -1.789 8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.365 -2.981 9.329 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.770 -1.918 7.960 1.00 0.00 H new ATOM 573 N LEU A 37 1.628 -2.352 5.357 1.00 0.00 N ATOM 574 CA LEU A 37 1.179 -1.633 4.166 1.00 0.00 C ATOM 575 C LEU A 37 0.187 -2.454 3.349 1.00 0.00 C ATOM 576 O LEU A 37 -0.889 -1.968 3.001 1.00 0.00 O ATOM 577 CB LEU A 37 2.379 -1.242 3.292 1.00 0.00 C ATOM 578 CG LEU A 37 2.893 0.195 3.466 1.00 0.00 C ATOM 579 CD1 LEU A 37 1.861 1.193 2.971 1.00 0.00 C ATOM 580 CD2 LEU A 37 3.249 0.481 4.918 1.00 0.00 C ATOM 0 H LEU A 37 2.640 -2.461 5.419 1.00 0.00 H new ATOM 0 HA LEU A 37 0.669 -0.731 4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.198 -1.929 3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.105 -1.386 2.247 1.00 0.00 H new ATOM 0 HG LEU A 37 3.799 0.300 2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.242 2.206 3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.660 1.015 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.939 1.076 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.610 1.506 5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.365 0.351 5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.028 -0.208 5.244 1.00 0.00 H new ATOM 592 N GLY A 38 0.533 -3.704 3.071 1.00 0.00 N ATOM 593 CA GLY A 38 -0.321 -4.548 2.250 1.00 0.00 C ATOM 594 C GLY A 38 -1.685 -4.790 2.865 1.00 0.00 C ATOM 595 O GLY A 38 -2.627 -5.171 2.172 1.00 0.00 O ATOM 0 H GLY A 38 1.389 -4.151 3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.447 -4.085 1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.173 -5.506 2.088 1.00 0.00 H new ATOM 599 N ASN A 39 -1.798 -4.569 4.164 1.00 0.00 N ATOM 600 CA ASN A 39 -3.070 -4.731 4.843 1.00 0.00 C ATOM 601 C ASN A 39 -3.808 -3.403 4.952 1.00 0.00 C ATOM 602 O ASN A 39 -5.005 -3.340 4.695 1.00 0.00 O ATOM 603 CB ASN A 39 -2.879 -5.333 6.234 1.00 0.00 C ATOM 604 CG ASN A 39 -2.597 -6.826 6.200 1.00 0.00 C ATOM 605 OD1 ASN A 39 -3.518 -7.644 6.227 1.00 0.00 O ATOM 606 ND2 ASN A 39 -1.326 -7.197 6.150 1.00 0.00 N ATOM 0 H ASN A 39 -1.028 -4.278 4.766 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.671 -5.416 4.245 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.055 -4.824 6.734 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.774 -5.151 6.829 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.084 -8.188 6.133 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.589 -6.492 6.129 1.00 0.00 H new ATOM 613 N CYS A 40 -3.096 -2.340 5.317 1.00 0.00 N ATOM 614 CA CYS A 40 -3.732 -1.042 5.525 1.00 0.00 C ATOM 615 C CYS A 40 -4.246 -0.461 4.210 1.00 0.00 C ATOM 616 O CYS A 40 -5.362 0.063 4.156 1.00 0.00 O ATOM 617 CB CYS A 40 -2.775 -0.062 6.216 1.00 0.00 C ATOM 618 SG CYS A 40 -1.248 0.273 5.310 1.00 0.00 S ATOM 0 H CYS A 40 -2.088 -2.350 5.474 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.589 -1.197 6.181 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.298 0.880 6.379 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.518 -0.459 7.198 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.144 -0.556 4.314 1.00 0.00 H new ATOM 624 N VAL A 41 -3.447 -0.573 3.149 1.00 0.00 N ATOM 625 CA VAL A 41 -3.856 -0.097 1.829 1.00 0.00 C ATOM 626 C VAL A 41 -5.113 -0.825 1.376 1.00 0.00 C ATOM 627 O VAL A 41 -6.088 -0.206 0.948 1.00 0.00 O ATOM 628 CB VAL A 41 -2.759 -0.316 0.762 1.00 0.00 C ATOM 629 CG1 VAL A 41 -3.219 0.192 -0.599 1.00 0.00 C ATOM 630 CG2 VAL A 41 -1.455 0.348 1.170 1.00 0.00 C ATOM 0 H VAL A 41 -2.516 -0.988 3.178 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.041 0.973 1.925 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.579 -1.388 0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.431 0.028 -1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.117 -0.345 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.438 1.258 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.703 0.177 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.614 1.420 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.111 -0.075 2.114 1.00 0.00 H new ATOM 640 N THR A 42 -5.097 -2.141 1.516 1.00 0.00 N ATOM 641 CA THR A 42 -6.182 -2.972 1.028 1.00 0.00 C ATOM 642 C THR A 42 -7.395 -2.870 1.957 1.00 0.00 C ATOM 643 O THR A 42 -8.524 -3.149 1.560 1.00 0.00 O ATOM 644 CB THR A 42 -5.712 -4.432 0.896 1.00 0.00 C ATOM 645 OG1 THR A 42 -4.400 -4.447 0.326 1.00 0.00 O ATOM 646 CG2 THR A 42 -6.645 -5.242 0.007 1.00 0.00 C ATOM 0 H THR A 42 -4.341 -2.657 1.966 1.00 0.00 H new ATOM 0 HA THR A 42 -6.482 -2.616 0.042 1.00 0.00 H new ATOM 0 HB THR A 42 -5.711 -4.881 1.889 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.733 -4.506 1.042 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.282 -6.267 -0.063 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.647 -5.241 0.435 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.675 -4.799 -0.988 1.00 0.00 H new ATOM 654 N HIS A 43 -7.152 -2.437 3.190 1.00 0.00 N ATOM 655 CA HIS A 43 -8.231 -2.201 4.143 1.00 0.00 C ATOM 656 C HIS A 43 -8.974 -0.922 3.767 1.00 0.00 C ATOM 657 O HIS A 43 -10.199 -0.854 3.853 1.00 0.00 O ATOM 658 CB HIS A 43 -7.678 -2.100 5.569 1.00 0.00 C ATOM 659 CG HIS A 43 -8.731 -2.149 6.635 1.00 0.00 C ATOM 660 ND1 HIS A 43 -9.135 -3.321 7.236 1.00 0.00 N ATOM 661 CD2 HIS A 43 -9.456 -1.165 7.217 1.00 0.00 C ATOM 662 CE1 HIS A 43 -10.064 -3.056 8.136 1.00 0.00 C ATOM 663 NE2 HIS A 43 -10.276 -1.754 8.144 1.00 0.00 N ATOM 0 H HIS A 43 -6.219 -2.243 3.552 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.925 -3.041 4.108 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.972 -2.914 5.732 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.120 -1.169 5.666 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.399 -0.110 6.992 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.565 -3.782 8.760 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.942 -1.265 8.743 1.00 0.00 H new ATOM 672 N LEU A 44 -8.221 0.088 3.343 1.00 0.00 N ATOM 673 CA LEU A 44 -8.812 1.322 2.840 1.00 0.00 C ATOM 674 C LEU A 44 -9.527 1.050 1.525 1.00 0.00 C ATOM 675 O LEU A 44 -10.592 1.600 1.252 1.00 0.00 O ATOM 676 CB LEU A 44 -7.737 2.392 2.630 1.00 0.00 C ATOM 677 CG LEU A 44 -7.059 2.904 3.901 1.00 0.00 C ATOM 678 CD1 LEU A 44 -5.906 3.831 3.547 1.00 0.00 C ATOM 679 CD2 LEU A 44 -8.067 3.623 4.788 1.00 0.00 C ATOM 0 H LEU A 44 -7.201 0.076 3.338 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.527 1.688 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.971 1.987 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.189 3.239 2.114 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.662 2.051 4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.432 4.188 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.175 3.289 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.284 4.681 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.569 3.981 5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.490 4.469 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.865 2.934 5.065 1.00 0.00 H new ATOM 691 N LEU A 45 -8.927 0.175 0.732 1.00 0.00 N ATOM 692 CA LEU A 45 -9.466 -0.218 -0.560 1.00 0.00 C ATOM 693 C LEU A 45 -10.776 -0.994 -0.377 1.00 0.00 C ATOM 694 O LEU A 45 -11.622 -1.032 -1.264 1.00 0.00 O ATOM 695 CB LEU A 45 -8.409 -1.060 -1.290 1.00 0.00 C ATOM 696 CG LEU A 45 -8.589 -1.232 -2.800 1.00 0.00 C ATOM 697 CD1 LEU A 45 -7.239 -1.464 -3.459 1.00 0.00 C ATOM 698 CD2 LEU A 45 -9.516 -2.397 -3.106 1.00 0.00 C ATOM 0 H LEU A 45 -8.048 -0.285 0.969 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.696 0.663 -1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.433 -0.608 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.389 -2.050 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.036 -0.321 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.375 -1.586 -4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.590 -0.609 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.783 -2.364 -3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.628 -2.499 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.094 -3.315 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.492 -2.214 -2.656 1.00 0.00 H new ATOM 710 N GLU A 46 -10.938 -1.598 0.790 1.00 0.00 N ATOM 711 CA GLU A 46 -12.144 -2.351 1.100 1.00 0.00 C ATOM 712 C GLU A 46 -13.235 -1.429 1.648 1.00 0.00 C ATOM 713 O GLU A 46 -14.386 -1.487 1.213 1.00 0.00 O ATOM 714 CB GLU A 46 -11.809 -3.468 2.101 1.00 0.00 C ATOM 715 CG GLU A 46 -12.992 -4.334 2.520 1.00 0.00 C ATOM 716 CD GLU A 46 -13.711 -3.810 3.749 1.00 0.00 C ATOM 717 OE1 GLU A 46 -13.154 -3.926 4.860 1.00 0.00 O ATOM 718 OE2 GLU A 46 -14.841 -3.295 3.619 1.00 0.00 O ATOM 0 H GLU A 46 -10.247 -1.581 1.540 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.527 -2.803 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.045 -4.110 1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.374 -3.017 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.699 -4.397 1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.641 -5.347 2.717 1.00 0.00 H new ATOM 725 N ARG A 47 -12.856 -0.548 2.563 1.00 0.00 N ATOM 726 CA ARG A 47 -13.817 0.264 3.291 1.00 0.00 C ATOM 727 C ARG A 47 -14.246 1.473 2.477 1.00 0.00 C ATOM 728 O ARG A 47 -15.419 1.845 2.469 1.00 0.00 O ATOM 729 CB ARG A 47 -13.209 0.721 4.624 1.00 0.00 C ATOM 730 CG ARG A 47 -14.065 1.726 5.385 1.00 0.00 C ATOM 731 CD ARG A 47 -13.379 2.200 6.656 1.00 0.00 C ATOM 732 NE ARG A 47 -14.085 3.324 7.279 1.00 0.00 N ATOM 733 CZ ARG A 47 -13.606 4.027 8.308 1.00 0.00 C ATOM 734 NH1 ARG A 47 -12.433 3.718 8.840 1.00 0.00 N ATOM 735 NH2 ARG A 47 -14.299 5.043 8.809 1.00 0.00 N ATOM 0 H ARG A 47 -11.883 -0.378 2.819 1.00 0.00 H new ATOM 0 HA ARG A 47 -14.700 -0.346 3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.045 -0.153 5.255 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.231 1.164 4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.277 2.582 4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -15.023 1.271 5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.318 1.374 7.364 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.356 2.498 6.426 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.997 3.584 6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.891 2.940 8.464 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.071 4.258 9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.203 5.291 8.408 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.927 5.576 9.595 1.00 0.00 H new ATOM 749 N LYS A 48 -13.297 2.077 1.780 1.00 0.00 N ATOM 750 CA LYS A 48 -13.550 3.346 1.129 1.00 0.00 C ATOM 751 C LYS A 48 -13.825 3.174 -0.362 1.00 0.00 C ATOM 752 O LYS A 48 -14.063 4.149 -1.073 1.00 0.00 O ATOM 753 CB LYS A 48 -12.374 4.297 1.353 1.00 0.00 C ATOM 754 CG LYS A 48 -12.033 4.482 2.824 1.00 0.00 C ATOM 755 CD LYS A 48 -10.854 5.421 3.027 1.00 0.00 C ATOM 756 CE LYS A 48 -11.194 6.847 2.630 1.00 0.00 C ATOM 757 NZ LYS A 48 -10.100 7.787 2.986 1.00 0.00 N ATOM 0 H LYS A 48 -12.354 1.711 1.653 1.00 0.00 H new ATOM 0 HA LYS A 48 -14.446 3.776 1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.499 3.914 0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.609 5.267 0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.903 4.875 3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.804 3.513 3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.547 5.398 4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.006 5.072 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.379 6.893 1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.115 7.154 3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.386 8.758 2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.906 7.724 4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.242 7.538 2.454 1.00 0.00 H new ATOM 771 N VAL A 49 -13.786 1.933 -0.824 1.00 0.00 N ATOM 772 CA VAL A 49 -14.067 1.636 -2.221 1.00 0.00 C ATOM 773 C VAL A 49 -15.207 0.618 -2.329 1.00 0.00 C ATOM 774 O VAL A 49 -15.202 -0.403 -1.634 1.00 0.00 O ATOM 775 CB VAL A 49 -12.815 1.087 -2.947 1.00 0.00 C ATOM 776 CG1 VAL A 49 -13.119 0.778 -4.405 1.00 0.00 C ATOM 777 CG2 VAL A 49 -11.660 2.074 -2.846 1.00 0.00 C ATOM 0 H VAL A 49 -13.563 1.117 -0.254 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.362 2.569 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.525 0.158 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.222 0.394 -4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.910 0.030 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.443 1.688 -4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.790 1.670 -3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.948 3.019 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.415 2.241 -1.797 1.00 0.00 H new ATOM 787 N PRO A 50 -16.212 0.910 -3.180 1.00 0.00 N ATOM 788 CA PRO A 50 -17.338 0.000 -3.428 1.00 0.00 C ATOM 789 C PRO A 50 -16.878 -1.391 -3.861 1.00 0.00 C ATOM 790 O PRO A 50 -15.843 -1.538 -4.513 1.00 0.00 O ATOM 791 CB PRO A 50 -18.127 0.681 -4.558 1.00 0.00 C ATOM 792 CG PRO A 50 -17.229 1.748 -5.090 1.00 0.00 C ATOM 793 CD PRO A 50 -16.340 2.149 -3.952 1.00 0.00 C ATOM 0 HA PRO A 50 -17.927 -0.162 -2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -18.391 -0.034 -5.338 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -19.060 1.104 -4.185 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -16.642 1.380 -5.932 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -17.806 2.599 -5.452 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.372 2.507 -4.303 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.781 2.950 -3.359 1.00 0.00 H new ATOM 801 N SER A 51 -17.680 -2.395 -3.517 1.00 0.00 N ATOM 802 CA SER A 51 -17.331 -3.802 -3.708 1.00 0.00 C ATOM 803 C SER A 51 -16.824 -4.104 -5.121 1.00 0.00 C ATOM 804 O SER A 51 -15.715 -4.614 -5.291 1.00 0.00 O ATOM 805 CB SER A 51 -18.551 -4.668 -3.394 1.00 0.00 C ATOM 806 OG SER A 51 -19.701 -4.168 -4.058 1.00 0.00 O ATOM 0 H SER A 51 -18.598 -2.255 -3.094 1.00 0.00 H new ATOM 0 HA SER A 51 -16.512 -4.033 -3.027 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.364 -5.696 -3.704 1.00 0.00 H new ATOM 0 HB3 SER A 51 -18.724 -4.686 -2.318 1.00 0.00 H new ATOM 0 HG SER A 51 -20.472 -4.735 -3.848 1.00 0.00 H new ATOM 812 N GLU A 52 -17.632 -3.788 -6.125 1.00 0.00 N ATOM 813 CA GLU A 52 -17.283 -4.084 -7.511 1.00 0.00 C ATOM 814 C GLU A 52 -16.047 -3.311 -7.963 1.00 0.00 C ATOM 815 O GLU A 52 -15.213 -3.835 -8.702 1.00 0.00 O ATOM 816 CB GLU A 52 -18.455 -3.765 -8.438 1.00 0.00 C ATOM 817 CG GLU A 52 -19.662 -4.660 -8.227 1.00 0.00 C ATOM 818 CD GLU A 52 -20.760 -4.386 -9.229 1.00 0.00 C ATOM 819 OE1 GLU A 52 -20.541 -4.628 -10.434 1.00 0.00 O ATOM 820 OE2 GLU A 52 -21.842 -3.918 -8.823 1.00 0.00 O ATOM 0 H GLU A 52 -18.534 -3.327 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.055 -5.149 -7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.753 -2.727 -8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.123 -3.855 -9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -19.356 -5.703 -8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -20.048 -4.514 -7.218 1.00 0.00 H new ATOM 827 N SER A 53 -15.920 -2.077 -7.497 1.00 0.00 N ATOM 828 CA SER A 53 -14.844 -1.203 -7.945 1.00 0.00 C ATOM 829 C SER A 53 -13.512 -1.607 -7.311 1.00 0.00 C ATOM 830 O SER A 53 -12.449 -1.264 -7.828 1.00 0.00 O ATOM 831 CB SER A 53 -15.178 0.258 -7.620 1.00 0.00 C ATOM 832 OG SER A 53 -14.307 1.154 -8.292 1.00 0.00 O ATOM 0 H SER A 53 -16.547 -1.658 -6.810 1.00 0.00 H new ATOM 0 HA SER A 53 -14.745 -1.306 -9.026 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.209 0.469 -7.905 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.106 0.418 -6.544 1.00 0.00 H new ATOM 0 HG SER A 53 -14.548 2.076 -8.065 1.00 0.00 H new ATOM 838 N ARG A 54 -13.576 -2.359 -6.209 1.00 0.00 N ATOM 839 CA ARG A 54 -12.372 -2.788 -5.493 1.00 0.00 C ATOM 840 C ARG A 54 -11.394 -3.489 -6.429 1.00 0.00 C ATOM 841 O ARG A 54 -10.190 -3.238 -6.376 1.00 0.00 O ATOM 842 CB ARG A 54 -12.726 -3.733 -4.344 1.00 0.00 C ATOM 843 CG ARG A 54 -13.523 -3.085 -3.228 1.00 0.00 C ATOM 844 CD ARG A 54 -13.870 -4.098 -2.154 1.00 0.00 C ATOM 845 NE ARG A 54 -14.733 -3.537 -1.117 1.00 0.00 N ATOM 846 CZ ARG A 54 -15.520 -4.274 -0.332 1.00 0.00 C ATOM 847 NH1 ARG A 54 -15.572 -5.593 -0.491 1.00 0.00 N ATOM 848 NH2 ARG A 54 -16.252 -3.690 0.607 1.00 0.00 N ATOM 0 H ARG A 54 -14.449 -2.683 -5.793 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.901 -1.891 -5.091 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.296 -4.573 -4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.805 -4.141 -3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.948 -2.268 -2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.437 -2.650 -3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.366 -4.954 -2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.952 -4.469 -1.698 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.734 -2.525 -0.986 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.010 -6.042 -1.214 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.174 -6.156 0.110 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.213 -2.678 0.728 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.854 -4.253 1.208 1.00 0.00 H new ATOM 862 N GLN A 55 -11.920 -4.359 -7.285 1.00 0.00 N ATOM 863 CA GLN A 55 -11.090 -5.103 -8.225 1.00 0.00 C ATOM 864 C GLN A 55 -10.334 -4.152 -9.143 1.00 0.00 C ATOM 865 O GLN A 55 -9.110 -4.221 -9.251 1.00 0.00 O ATOM 866 CB GLN A 55 -11.946 -6.057 -9.062 1.00 0.00 C ATOM 867 CG GLN A 55 -12.702 -7.087 -8.239 1.00 0.00 C ATOM 868 CD GLN A 55 -13.486 -8.054 -9.105 1.00 0.00 C ATOM 869 OE1 GLN A 55 -12.982 -9.107 -9.494 1.00 0.00 O ATOM 870 NE2 GLN A 55 -14.722 -7.701 -9.419 1.00 0.00 N ATOM 0 H GLN A 55 -12.917 -4.566 -7.347 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.370 -5.686 -7.650 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.661 -5.474 -9.642 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.304 -6.575 -9.775 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.997 -7.645 -7.623 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.384 -6.576 -7.560 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -15.103 -6.819 -9.076 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.294 -8.311 -10.004 1.00 0.00 H new ATOM 879 N ALA A 56 -11.072 -3.250 -9.779 1.00 0.00 N ATOM 880 CA ALA A 56 -10.489 -2.293 -10.708 1.00 0.00 C ATOM 881 C ALA A 56 -9.477 -1.395 -10.008 1.00 0.00 C ATOM 882 O ALA A 56 -8.385 -1.162 -10.524 1.00 0.00 O ATOM 883 CB ALA A 56 -11.580 -1.458 -11.360 1.00 0.00 C ATOM 0 H ALA A 56 -12.082 -3.162 -9.666 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.963 -2.851 -11.483 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.129 -0.747 -12.052 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.262 -2.111 -11.904 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.132 -0.917 -10.592 1.00 0.00 H new ATOM 889 N VAL A 57 -9.841 -0.900 -8.830 1.00 0.00 N ATOM 890 CA VAL A 57 -8.954 -0.038 -8.060 1.00 0.00 C ATOM 891 C VAL A 57 -7.656 -0.763 -7.714 1.00 0.00 C ATOM 892 O VAL A 57 -6.571 -0.232 -7.940 1.00 0.00 O ATOM 893 CB VAL A 57 -9.625 0.476 -6.766 1.00 0.00 C ATOM 894 CG1 VAL A 57 -8.637 1.254 -5.908 1.00 0.00 C ATOM 895 CG2 VAL A 57 -10.824 1.347 -7.100 1.00 0.00 C ATOM 0 H VAL A 57 -10.743 -1.081 -8.389 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.728 0.823 -8.688 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.964 -0.390 -6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.136 1.604 -5.004 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.804 0.607 -5.635 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.262 2.110 -6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.285 1.701 -6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.499 2.201 -7.694 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.550 0.765 -7.668 1.00 0.00 H new ATOM 905 N ALA A 58 -7.774 -1.982 -7.196 1.00 0.00 N ATOM 906 CA ALA A 58 -6.600 -2.764 -6.823 1.00 0.00 C ATOM 907 C ALA A 58 -5.717 -3.037 -8.036 1.00 0.00 C ATOM 908 O ALA A 58 -4.501 -2.877 -7.967 1.00 0.00 O ATOM 909 CB ALA A 58 -7.003 -4.070 -6.152 1.00 0.00 C ATOM 0 H ALA A 58 -8.665 -2.448 -7.026 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.025 -2.177 -6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.109 -4.633 -5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.579 -3.854 -5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.611 -4.659 -6.839 1.00 0.00 H new ATOM 915 N GLU A 59 -6.332 -3.433 -9.148 1.00 0.00 N ATOM 916 CA GLU A 59 -5.586 -3.709 -10.373 1.00 0.00 C ATOM 917 C GLU A 59 -4.861 -2.461 -10.865 1.00 0.00 C ATOM 918 O GLU A 59 -3.667 -2.504 -11.160 1.00 0.00 O ATOM 919 CB GLU A 59 -6.508 -4.235 -11.475 1.00 0.00 C ATOM 920 CG GLU A 59 -7.132 -5.586 -11.167 1.00 0.00 C ATOM 921 CD GLU A 59 -7.881 -6.158 -12.352 1.00 0.00 C ATOM 922 OE1 GLU A 59 -9.056 -5.793 -12.562 1.00 0.00 O ATOM 923 OE2 GLU A 59 -7.291 -6.973 -13.094 1.00 0.00 O ATOM 0 H GLU A 59 -7.340 -3.569 -9.226 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.849 -4.476 -10.137 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.303 -3.510 -11.646 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.941 -4.311 -12.403 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.351 -6.283 -10.863 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.815 -5.484 -10.323 1.00 0.00 H new ATOM 930 N GLN A 60 -5.587 -1.352 -10.943 1.00 0.00 N ATOM 931 CA GLN A 60 -5.026 -0.092 -11.420 1.00 0.00 C ATOM 932 C GLN A 60 -3.921 0.406 -10.493 1.00 0.00 C ATOM 933 O GLN A 60 -2.842 0.783 -10.951 1.00 0.00 O ATOM 934 CB GLN A 60 -6.127 0.965 -11.545 1.00 0.00 C ATOM 935 CG GLN A 60 -7.115 0.680 -12.666 1.00 0.00 C ATOM 936 CD GLN A 60 -8.326 1.595 -12.640 1.00 0.00 C ATOM 937 OE1 GLN A 60 -8.748 1.996 -11.450 1.00 0.00 O flip ATOM 938 NE2 GLN A 60 -8.892 1.924 -13.683 1.00 0.00 N flip ATOM 0 H GLN A 60 -6.571 -1.299 -10.681 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.589 -0.269 -12.403 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.668 1.028 -10.601 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.668 1.939 -11.715 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.608 0.786 -13.625 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.448 -0.355 -12.594 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.538 1.595 -14.581 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.715 2.525 -13.649 1.00 0.00 H new ATOM 947 N PHE A 61 -4.190 0.387 -9.193 1.00 0.00 N ATOM 948 CA PHE A 61 -3.226 0.848 -8.201 1.00 0.00 C ATOM 949 C PHE A 61 -1.966 -0.009 -8.226 1.00 0.00 C ATOM 950 O PHE A 61 -0.853 0.511 -8.249 1.00 0.00 O ATOM 951 CB PHE A 61 -3.850 0.829 -6.802 1.00 0.00 C ATOM 952 CG PHE A 61 -2.895 1.214 -5.707 1.00 0.00 C ATOM 953 CD1 PHE A 61 -2.530 2.538 -5.523 1.00 0.00 C ATOM 954 CD2 PHE A 61 -2.363 0.252 -4.863 1.00 0.00 C ATOM 955 CE1 PHE A 61 -1.651 2.894 -4.520 1.00 0.00 C ATOM 956 CE2 PHE A 61 -1.483 0.603 -3.858 1.00 0.00 C ATOM 957 CZ PHE A 61 -1.127 1.927 -3.685 1.00 0.00 C ATOM 0 H PHE A 61 -5.071 0.056 -8.800 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.948 1.872 -8.450 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.701 1.509 -6.785 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.236 -0.170 -6.600 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.938 3.300 -6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.640 -0.784 -4.993 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.373 3.929 -4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.074 -0.156 -3.208 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.441 2.205 -2.899 1.00 0.00 H new ATOM 967 N ALA A 62 -2.149 -1.322 -8.236 1.00 0.00 N ATOM 968 CA ALA A 62 -1.029 -2.253 -8.231 1.00 0.00 C ATOM 969 C ALA A 62 -0.193 -2.117 -9.498 1.00 0.00 C ATOM 970 O ALA A 62 1.038 -2.176 -9.453 1.00 0.00 O ATOM 971 CB ALA A 62 -1.533 -3.677 -8.078 1.00 0.00 C ATOM 0 H ALA A 62 -3.066 -1.768 -8.248 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.390 -2.011 -7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.687 -4.364 -8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.079 -3.771 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.195 -3.920 -8.909 1.00 0.00 H new ATOM 977 N LYS A 63 -0.865 -1.921 -10.625 1.00 0.00 N ATOM 978 CA LYS A 63 -0.184 -1.753 -11.900 1.00 0.00 C ATOM 979 C LYS A 63 0.601 -0.445 -11.915 1.00 0.00 C ATOM 980 O LYS A 63 1.726 -0.390 -12.409 1.00 0.00 O ATOM 981 CB LYS A 63 -1.195 -1.792 -13.050 1.00 0.00 C ATOM 982 CG LYS A 63 -0.568 -1.695 -14.432 1.00 0.00 C ATOM 983 CD LYS A 63 -1.600 -1.923 -15.526 1.00 0.00 C ATOM 984 CE LYS A 63 -2.717 -0.893 -15.469 1.00 0.00 C ATOM 985 NZ LYS A 63 -3.807 -1.205 -16.430 1.00 0.00 N ATOM 0 H LYS A 63 -1.882 -1.875 -10.681 1.00 0.00 H new ATOM 0 HA LYS A 63 0.520 -2.575 -12.033 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.766 -2.718 -12.986 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.902 -0.972 -12.925 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.112 -0.713 -14.558 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.231 -2.431 -14.524 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.113 -1.878 -16.500 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.022 -2.923 -15.426 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.124 -0.854 -14.459 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.312 0.095 -15.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.549 -0.480 -16.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.424 -1.217 -17.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.211 -2.137 -16.206 1.00 0.00 H new ATOM 999 N ALA A 64 0.009 0.604 -11.353 1.00 0.00 N ATOM 1000 CA ALA A 64 0.682 1.892 -11.242 1.00 0.00 C ATOM 1001 C ALA A 64 1.855 1.799 -10.273 1.00 0.00 C ATOM 1002 O ALA A 64 2.896 2.426 -10.474 1.00 0.00 O ATOM 1003 CB ALA A 64 -0.294 2.968 -10.792 1.00 0.00 C ATOM 0 H ALA A 64 -0.935 0.587 -10.968 1.00 0.00 H new ATOM 0 HA ALA A 64 1.066 2.165 -12.225 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.227 3.922 -10.715 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.102 3.053 -11.519 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.707 2.701 -9.819 1.00 0.00 H new ATOM 1009 N LEU A 65 1.675 1.006 -9.226 1.00 0.00 N ATOM 1010 CA LEU A 65 2.715 0.772 -8.236 1.00 0.00 C ATOM 1011 C LEU A 65 3.935 0.131 -8.892 1.00 0.00 C ATOM 1012 O LEU A 65 5.042 0.661 -8.820 1.00 0.00 O ATOM 1013 CB LEU A 65 2.178 -0.138 -7.130 1.00 0.00 C ATOM 1014 CG LEU A 65 3.074 -0.290 -5.902 1.00 0.00 C ATOM 1015 CD1 LEU A 65 3.107 1.006 -5.106 1.00 0.00 C ATOM 1016 CD2 LEU A 65 2.592 -1.441 -5.034 1.00 0.00 C ATOM 0 H LEU A 65 0.805 0.508 -9.040 1.00 0.00 H new ATOM 0 HA LEU A 65 3.013 1.727 -7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.211 0.247 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.002 -1.127 -7.553 1.00 0.00 H new ATOM 0 HG LEU A 65 4.087 -0.513 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.750 0.881 -4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.497 1.808 -5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.098 1.258 -4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.241 -1.536 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.571 -1.247 -4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.619 -2.366 -5.609 1.00 0.00 H new ATOM 1028 N ALA A 66 3.716 -0.997 -9.556 1.00 0.00 N ATOM 1029 CA ALA A 66 4.793 -1.710 -10.232 1.00 0.00 C ATOM 1030 C ALA A 66 5.402 -0.858 -11.340 1.00 0.00 C ATOM 1031 O ALA A 66 6.597 -0.962 -11.639 1.00 0.00 O ATOM 1032 CB ALA A 66 4.279 -3.025 -10.796 1.00 0.00 C ATOM 0 H ALA A 66 2.801 -1.439 -9.641 1.00 0.00 H new ATOM 0 HA ALA A 66 5.574 -1.921 -9.501 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.093 -3.548 -11.298 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.896 -3.644 -9.985 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.479 -2.827 -11.510 1.00 0.00 H new ATOM 1038 N GLN A 67 4.578 -0.006 -11.942 1.00 0.00 N ATOM 1039 CA GLN A 67 5.037 0.874 -13.006 1.00 0.00 C ATOM 1040 C GLN A 67 5.952 1.962 -12.457 1.00 0.00 C ATOM 1041 O GLN A 67 7.019 2.205 -13.010 1.00 0.00 O ATOM 1042 CB GLN A 67 3.856 1.514 -13.739 1.00 0.00 C ATOM 1043 CG GLN A 67 4.277 2.340 -14.945 1.00 0.00 C ATOM 1044 CD GLN A 67 3.109 2.988 -15.666 1.00 0.00 C ATOM 1045 OE1 GLN A 67 2.076 3.357 -14.925 1.00 0.00 O flip ATOM 1046 NE2 GLN A 67 3.146 3.170 -16.882 1.00 0.00 N flip ATOM 0 H GLN A 67 3.590 0.092 -11.710 1.00 0.00 H new ATOM 0 HA GLN A 67 5.599 0.265 -13.714 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.171 0.731 -14.064 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.307 2.150 -13.045 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.971 3.116 -14.621 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.817 1.701 -15.644 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.961 2.871 -17.418 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.362 3.620 -17.354 1.00 0.00 H new ATOM 1055 N SER A 68 5.548 2.591 -11.356 1.00 0.00 N ATOM 1056 CA SER A 68 6.308 3.705 -10.794 1.00 0.00 C ATOM 1057 C SER A 68 7.658 3.240 -10.250 1.00 0.00 C ATOM 1058 O SER A 68 8.604 4.026 -10.145 1.00 0.00 O ATOM 1059 CB SER A 68 5.495 4.420 -9.711 1.00 0.00 C ATOM 1060 OG SER A 68 4.932 3.497 -8.793 1.00 0.00 O ATOM 0 H SER A 68 4.703 2.350 -10.837 1.00 0.00 H new ATOM 0 HA SER A 68 6.506 4.415 -11.597 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.135 5.122 -9.177 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.701 5.004 -10.176 1.00 0.00 H new ATOM 0 HG SER A 68 4.104 3.128 -9.166 1.00 0.00 H new ATOM 1066 N VAL A 69 7.748 1.958 -9.906 1.00 0.00 N ATOM 1067 CA VAL A 69 9.018 1.364 -9.511 1.00 0.00 C ATOM 1068 C VAL A 69 9.926 1.198 -10.733 1.00 0.00 C ATOM 1069 O VAL A 69 11.148 1.245 -10.627 1.00 0.00 O ATOM 1070 CB VAL A 69 8.819 -0.012 -8.827 1.00 0.00 C ATOM 1071 CG1 VAL A 69 10.152 -0.612 -8.401 1.00 0.00 C ATOM 1072 CG2 VAL A 69 7.891 0.111 -7.630 1.00 0.00 C ATOM 0 H VAL A 69 6.958 1.313 -9.893 1.00 0.00 H new ATOM 0 HA VAL A 69 9.484 2.038 -8.792 1.00 0.00 H new ATOM 0 HB VAL A 69 8.361 -0.681 -9.556 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.981 -1.577 -7.924 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.787 -0.748 -9.277 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.644 0.059 -7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.765 -0.867 -7.165 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.320 0.804 -6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.921 0.484 -7.959 1.00 0.00 H new ATOM 1082 N LYS A 70 9.317 1.025 -11.900 1.00 0.00 N ATOM 1083 CA LYS A 70 10.074 0.805 -13.127 1.00 0.00 C ATOM 1084 C LYS A 70 10.393 2.133 -13.820 1.00 0.00 C ATOM 1085 O LYS A 70 11.454 2.288 -14.423 1.00 0.00 O ATOM 1086 CB LYS A 70 9.298 -0.120 -14.077 1.00 0.00 C ATOM 1087 CG LYS A 70 10.074 -0.486 -15.335 1.00 0.00 C ATOM 1088 CD LYS A 70 9.283 -1.398 -16.268 1.00 0.00 C ATOM 1089 CE LYS A 70 9.041 -2.778 -15.667 1.00 0.00 C ATOM 1090 NZ LYS A 70 7.681 -2.903 -15.073 1.00 0.00 N ATOM 0 H LYS A 70 8.304 1.033 -12.023 1.00 0.00 H new ATOM 0 HA LYS A 70 11.016 0.325 -12.862 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.032 -1.033 -13.545 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.365 0.366 -14.363 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.346 0.425 -15.868 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.004 -0.980 -15.053 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.325 -0.933 -16.500 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.822 -1.504 -17.210 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.169 -3.536 -16.439 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.790 -2.975 -14.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.682 -3.661 -14.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.415 -2.004 -14.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.995 -3.131 -15.821 1.00 0.00 H new ATOM 1392 N SER B 8 4.336 -10.704 16.133 1.00 0.00 N ATOM 1393 CA SER B 8 3.268 -10.805 17.105 1.00 0.00 C ATOM 1394 C SER B 8 2.041 -10.068 16.584 1.00 0.00 C ATOM 1395 O SER B 8 2.146 -8.938 16.098 1.00 0.00 O ATOM 1396 CB SER B 8 3.730 -10.239 18.451 1.00 0.00 C ATOM 1397 OG SER B 8 4.556 -9.098 18.273 1.00 0.00 O ATOM 0 HA SER B 8 3.003 -11.851 17.258 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.862 -9.972 19.053 1.00 0.00 H new ATOM 0 HB3 SER B 8 4.277 -11.004 19.002 1.00 0.00 H new ATOM 0 HG SER B 8 4.931 -9.104 17.368 1.00 0.00 H new ATOM 1403 N ASN B 9 0.884 -10.715 16.673 1.00 0.00 N ATOM 1404 CA ASN B 9 -0.351 -10.167 16.113 1.00 0.00 C ATOM 1405 C ASN B 9 -0.667 -8.808 16.713 1.00 0.00 C ATOM 1406 O ASN B 9 -1.161 -7.915 16.025 1.00 0.00 O ATOM 1407 CB ASN B 9 -1.525 -11.121 16.354 1.00 0.00 C ATOM 1408 CG ASN B 9 -1.341 -12.478 15.696 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -0.660 -12.510 14.559 1.00 0.00 O flip ATOM 1410 ND2 ASN B 9 -1.807 -13.493 16.210 1.00 0.00 N flip ATOM 0 H ASN B 9 0.773 -11.621 17.128 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.202 -10.049 15.040 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -1.657 -11.260 17.427 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -2.440 -10.663 15.977 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.326 -13.429 17.086 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -1.675 -14.399 15.760 1.00 0.00 H new ATOM 1417 N THR B 10 -0.364 -8.654 17.994 1.00 0.00 N ATOM 1418 CA THR B 10 -0.618 -7.411 18.702 1.00 0.00 C ATOM 1419 C THR B 10 0.196 -6.259 18.106 1.00 0.00 C ATOM 1420 O THR B 10 -0.279 -5.124 18.029 1.00 0.00 O ATOM 1421 CB THR B 10 -0.280 -7.564 20.197 1.00 0.00 C ATOM 1422 OG1 THR B 10 -0.866 -8.772 20.701 1.00 0.00 O ATOM 1423 CG2 THR B 10 -0.793 -6.378 21.001 1.00 0.00 C ATOM 0 H THR B 10 0.062 -9.383 18.567 1.00 0.00 H new ATOM 0 HA THR B 10 -1.678 -7.179 18.594 1.00 0.00 H new ATOM 0 HB THR B 10 0.804 -7.605 20.299 1.00 0.00 H new ATOM 0 HG1 THR B 10 -0.649 -8.869 21.652 1.00 0.00 H new ATOM 0 HG21 THR B 10 -0.540 -6.514 22.052 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.332 -5.462 20.632 1.00 0.00 H new ATOM 0 HG23 THR B 10 -1.876 -6.307 20.895 1.00 0.00 H new ATOM 1431 N GLN B 11 1.408 -6.560 17.655 1.00 0.00 N ATOM 1432 CA GLN B 11 2.294 -5.532 17.129 1.00 0.00 C ATOM 1433 C GLN B 11 1.855 -5.115 15.732 1.00 0.00 C ATOM 1434 O GLN B 11 1.707 -3.925 15.453 1.00 0.00 O ATOM 1435 CB GLN B 11 3.741 -6.029 17.106 1.00 0.00 C ATOM 1436 CG GLN B 11 4.761 -4.917 16.915 1.00 0.00 C ATOM 1437 CD GLN B 11 4.568 -3.776 17.901 1.00 0.00 C ATOM 1438 OE1 GLN B 11 3.887 -2.793 17.608 1.00 0.00 O ATOM 1439 NE2 GLN B 11 5.132 -3.917 19.090 1.00 0.00 N ATOM 0 H GLN B 11 1.797 -7.503 17.643 1.00 0.00 H new ATOM 0 HA GLN B 11 2.238 -4.663 17.785 1.00 0.00 H new ATOM 0 HB2 GLN B 11 3.953 -6.549 18.040 1.00 0.00 H new ATOM 0 HB3 GLN B 11 3.854 -6.757 16.303 1.00 0.00 H new ATOM 0 HG2 GLN B 11 5.765 -5.326 17.029 1.00 0.00 H new ATOM 0 HG3 GLN B 11 4.687 -4.531 15.898 1.00 0.00 H new ATOM 0 HE21 GLN B 11 5.689 -4.746 19.295 1.00 0.00 H new ATOM 0 HE22 GLN B 11 5.009 -3.196 19.801 1.00 0.00 H new ATOM 1448 N VAL B 12 1.622 -6.099 14.868 1.00 0.00 N ATOM 1449 CA VAL B 12 1.168 -5.833 13.506 1.00 0.00 C ATOM 1450 C VAL B 12 -0.135 -5.039 13.534 1.00 0.00 C ATOM 1451 O VAL B 12 -0.323 -4.099 12.760 1.00 0.00 O ATOM 1452 CB VAL B 12 0.953 -7.142 12.714 1.00 0.00 C ATOM 1453 CG1 VAL B 12 0.582 -6.846 11.268 1.00 0.00 C ATOM 1454 CG2 VAL B 12 2.194 -8.021 12.780 1.00 0.00 C ATOM 0 H VAL B 12 1.740 -7.088 15.087 1.00 0.00 H new ATOM 0 HA VAL B 12 1.944 -5.253 13.007 1.00 0.00 H new ATOM 0 HB VAL B 12 0.125 -7.683 13.173 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.436 -7.783 10.731 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.339 -6.264 11.241 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.384 -6.278 10.796 1.00 0.00 H new ATOM 0 HG21 VAL B 12 2.021 -8.938 12.216 1.00 0.00 H new ATOM 0 HG22 VAL B 12 3.042 -7.486 12.352 1.00 0.00 H new ATOM 0 HG23 VAL B 12 2.409 -8.270 13.819 1.00 0.00 H new ATOM 1464 N GLU B 13 -1.017 -5.419 14.454 1.00 0.00 N ATOM 1465 CA GLU B 13 -2.285 -4.730 14.647 1.00 0.00 C ATOM 1466 C GLU B 13 -2.055 -3.266 15.013 1.00 0.00 C ATOM 1467 O GLU B 13 -2.669 -2.370 14.438 1.00 0.00 O ATOM 1468 CB GLU B 13 -3.082 -5.405 15.763 1.00 0.00 C ATOM 1469 CG GLU B 13 -4.441 -4.776 16.006 1.00 0.00 C ATOM 1470 CD GLU B 13 -4.909 -4.950 17.433 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -5.347 -6.061 17.795 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -4.834 -3.971 18.204 1.00 0.00 O ATOM 0 H GLU B 13 -0.872 -6.209 15.083 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.843 -4.779 13.712 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.217 -6.458 15.515 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -2.503 -5.366 16.686 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -4.394 -3.713 15.769 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.171 -5.222 15.330 1.00 0.00 H new ATOM 1479 N SER B 14 -1.153 -3.038 15.964 1.00 0.00 N ATOM 1480 CA SER B 14 -0.900 -1.699 16.484 1.00 0.00 C ATOM 1481 C SER B 14 -0.388 -0.761 15.395 1.00 0.00 C ATOM 1482 O SER B 14 -0.744 0.418 15.371 1.00 0.00 O ATOM 1483 CB SER B 14 0.091 -1.765 17.644 1.00 0.00 C ATOM 1484 OG SER B 14 -0.416 -2.575 18.694 1.00 0.00 O ATOM 0 H SER B 14 -0.583 -3.768 16.391 1.00 0.00 H new ATOM 0 HA SER B 14 -1.845 -1.295 16.846 1.00 0.00 H new ATOM 0 HB2 SER B 14 1.041 -2.168 17.294 1.00 0.00 H new ATOM 0 HB3 SER B 14 0.289 -0.760 18.017 1.00 0.00 H new ATOM 0 HG SER B 14 -0.122 -3.501 18.564 1.00 0.00 H new ATOM 1490 N LEU B 15 0.439 -1.283 14.493 1.00 0.00 N ATOM 1491 CA LEU B 15 0.919 -0.489 13.371 1.00 0.00 C ATOM 1492 C LEU B 15 -0.246 -0.053 12.499 1.00 0.00 C ATOM 1493 O LEU B 15 -0.509 1.141 12.363 1.00 0.00 O ATOM 1494 CB LEU B 15 1.937 -1.261 12.525 1.00 0.00 C ATOM 1495 CG LEU B 15 3.400 -1.093 12.938 1.00 0.00 C ATOM 1496 CD1 LEU B 15 3.673 -1.749 14.282 1.00 0.00 C ATOM 1497 CD2 LEU B 15 4.315 -1.662 11.868 1.00 0.00 C ATOM 0 H LEU B 15 0.786 -2.242 14.518 1.00 0.00 H new ATOM 0 HA LEU B 15 1.417 0.390 13.781 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.686 -2.321 12.564 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.833 -0.947 11.486 1.00 0.00 H new ATOM 0 HG LEU B 15 3.603 -0.027 13.043 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.721 -1.612 14.547 1.00 0.00 H new ATOM 0 HD12 LEU B 15 3.043 -1.292 15.045 1.00 0.00 H new ATOM 0 HD13 LEU B 15 3.451 -2.814 14.219 1.00 0.00 H new ATOM 0 HD21 LEU B 15 5.354 -1.537 12.173 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.102 -2.722 11.733 1.00 0.00 H new ATOM 0 HD23 LEU B 15 4.147 -1.136 10.928 1.00 0.00 H new ATOM 1509 N ILE B 16 -0.959 -1.030 11.942 1.00 0.00 N ATOM 1510 CA ILE B 16 -2.087 -0.760 11.054 1.00 0.00 C ATOM 1511 C ILE B 16 -3.093 0.172 11.725 1.00 0.00 C ATOM 1512 O ILE B 16 -3.627 1.084 11.091 1.00 0.00 O ATOM 1513 CB ILE B 16 -2.800 -2.069 10.642 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -1.799 -3.041 10.012 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -3.942 -1.779 9.674 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -2.382 -4.405 9.707 1.00 0.00 C ATOM 0 H ILE B 16 -0.773 -2.022 12.092 1.00 0.00 H new ATOM 0 HA ILE B 16 -1.689 -0.279 10.161 1.00 0.00 H new ATOM 0 HB ILE B 16 -3.220 -2.530 11.536 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -1.415 -2.606 9.089 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.950 -3.161 10.685 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -4.430 -2.713 9.397 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -4.666 -1.119 10.152 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -3.547 -1.297 8.780 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.614 -5.038 9.263 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -2.740 -4.862 10.629 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -3.212 -4.298 9.009 1.00 0.00 H new ATOM 1528 N ALA B 17 -3.317 -0.053 13.014 1.00 0.00 N ATOM 1529 CA ALA B 17 -4.246 0.752 13.791 1.00 0.00 C ATOM 1530 C ALA B 17 -3.893 2.235 13.733 1.00 0.00 C ATOM 1531 O ALA B 17 -4.683 3.041 13.247 1.00 0.00 O ATOM 1532 CB ALA B 17 -4.281 0.278 15.236 1.00 0.00 C ATOM 0 H ALA B 17 -2.862 -0.795 13.546 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.235 0.627 13.350 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -4.981 0.891 15.803 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -4.601 -0.763 15.270 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -3.286 0.366 15.672 1.00 0.00 H new ATOM 1538 N GLU B 18 -2.696 2.592 14.193 1.00 0.00 N ATOM 1539 CA GLU B 18 -2.322 4.000 14.300 1.00 0.00 C ATOM 1540 C GLU B 18 -2.170 4.645 12.927 1.00 0.00 C ATOM 1541 O GLU B 18 -2.484 5.823 12.755 1.00 0.00 O ATOM 1542 CB GLU B 18 -1.037 4.174 15.109 1.00 0.00 C ATOM 1543 CG GLU B 18 -1.201 3.875 16.589 1.00 0.00 C ATOM 1544 CD GLU B 18 -0.015 4.341 17.407 1.00 0.00 C ATOM 1545 OE1 GLU B 18 0.962 3.576 17.535 1.00 0.00 O ATOM 1546 OE2 GLU B 18 -0.055 5.480 17.926 1.00 0.00 O ATOM 0 H GLU B 18 -1.976 1.935 14.494 1.00 0.00 H new ATOM 0 HA GLU B 18 -3.132 4.505 14.826 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.268 3.519 14.698 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.680 5.197 14.992 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -2.105 4.360 16.957 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -1.335 2.802 16.727 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.703 3.875 11.952 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.554 4.380 10.592 1.00 0.00 C ATOM 1555 C ILE B 19 -2.916 4.797 10.036 1.00 0.00 C ATOM 1556 O ILE B 19 -3.065 5.878 9.457 1.00 0.00 O ATOM 1557 CB ILE B 19 -0.910 3.329 9.658 1.00 0.00 C ATOM 1558 CG1 ILE B 19 0.448 2.891 10.208 1.00 0.00 C ATOM 1559 CG2 ILE B 19 -0.735 3.897 8.259 1.00 0.00 C ATOM 1560 CD1 ILE B 19 1.045 1.708 9.478 1.00 0.00 C ATOM 0 H ILE B 19 -1.422 2.902 12.076 1.00 0.00 H new ATOM 0 HA ILE B 19 -0.892 5.245 10.632 1.00 0.00 H new ATOM 0 HB ILE B 19 -1.572 2.464 9.609 1.00 0.00 H new ATOM 0 HG12 ILE B 19 1.141 3.730 10.151 1.00 0.00 H new ATOM 0 HG13 ILE B 19 0.339 2.639 11.263 1.00 0.00 H new ATOM 0 HG21 ILE B 19 -0.281 3.144 7.615 1.00 0.00 H new ATOM 0 HG22 ILE B 19 -1.708 4.179 7.857 1.00 0.00 H new ATOM 0 HG23 ILE B 19 -0.091 4.775 8.301 1.00 0.00 H new ATOM 0 HD11 ILE B 19 2.007 1.454 9.923 1.00 0.00 H new ATOM 0 HD12 ILE B 19 0.372 0.854 9.557 1.00 0.00 H new ATOM 0 HD13 ILE B 19 1.187 1.962 8.428 1.00 0.00 H new ATOM 1572 N LEU B 20 -3.915 3.946 10.245 1.00 0.00 N ATOM 1573 CA LEU B 20 -5.272 4.245 9.807 1.00 0.00 C ATOM 1574 C LEU B 20 -5.879 5.355 10.659 1.00 0.00 C ATOM 1575 O LEU B 20 -6.625 6.189 10.152 1.00 0.00 O ATOM 1576 CB LEU B 20 -6.151 2.995 9.862 1.00 0.00 C ATOM 1577 CG LEU B 20 -5.733 1.863 8.919 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -6.697 0.694 9.030 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -5.663 2.360 7.483 1.00 0.00 C ATOM 0 H LEU B 20 -3.810 3.046 10.714 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.224 4.586 8.773 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -6.151 2.614 10.883 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -7.177 3.281 9.629 1.00 0.00 H new ATOM 0 HG LEU B 20 -4.741 1.521 9.213 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -6.384 -0.101 8.353 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.698 0.319 10.054 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -7.701 1.024 8.763 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -5.364 1.541 6.829 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -6.642 2.730 7.178 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.932 3.166 7.412 1.00 0.00 H new ATOM 1591 N VAL B 21 -5.548 5.362 11.951 1.00 0.00 N ATOM 1592 CA VAL B 21 -6.003 6.415 12.857 1.00 0.00 C ATOM 1593 C VAL B 21 -5.593 7.787 12.339 1.00 0.00 C ATOM 1594 O VAL B 21 -6.410 8.696 12.272 1.00 0.00 O ATOM 1595 CB VAL B 21 -5.452 6.222 14.295 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -5.621 7.489 15.125 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -6.147 5.056 14.981 1.00 0.00 C ATOM 0 H VAL B 21 -4.966 4.650 12.393 1.00 0.00 H new ATOM 0 HA VAL B 21 -7.090 6.350 12.896 1.00 0.00 H new ATOM 0 HB VAL B 21 -4.387 6.004 14.215 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -5.226 7.323 16.127 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -5.079 8.308 14.653 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -6.679 7.743 15.190 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -5.748 4.936 15.988 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -7.218 5.252 15.036 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -5.974 4.143 14.411 1.00 0.00 H new ATOM 1607 N VAL B 22 -4.331 7.922 11.957 1.00 0.00 N ATOM 1608 CA VAL B 22 -3.821 9.185 11.440 1.00 0.00 C ATOM 1609 C VAL B 22 -4.576 9.608 10.181 1.00 0.00 C ATOM 1610 O VAL B 22 -5.010 10.755 10.063 1.00 0.00 O ATOM 1611 CB VAL B 22 -2.306 9.097 11.155 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -1.797 10.343 10.445 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -1.550 8.890 12.456 1.00 0.00 C ATOM 0 H VAL B 22 -3.641 7.172 11.995 1.00 0.00 H new ATOM 0 HA VAL B 22 -3.981 9.943 12.206 1.00 0.00 H new ATOM 0 HB VAL B 22 -2.135 8.247 10.495 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.727 10.245 10.261 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -2.319 10.460 9.496 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -1.979 11.218 11.069 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -0.481 8.828 12.250 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -1.743 9.728 13.126 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.883 7.965 12.927 1.00 0.00 H new ATOM 1623 N LEU B 23 -4.751 8.679 9.250 1.00 0.00 N ATOM 1624 CA LEU B 23 -5.488 8.966 8.021 1.00 0.00 C ATOM 1625 C LEU B 23 -6.953 9.305 8.302 1.00 0.00 C ATOM 1626 O LEU B 23 -7.498 10.248 7.724 1.00 0.00 O ATOM 1627 CB LEU B 23 -5.419 7.776 7.068 1.00 0.00 C ATOM 1628 CG LEU B 23 -4.015 7.388 6.617 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -4.036 6.027 5.943 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -3.460 8.442 5.672 1.00 0.00 C ATOM 0 H LEU B 23 -4.396 7.725 9.319 1.00 0.00 H new ATOM 0 HA LEU B 23 -5.018 9.835 7.560 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -5.879 6.915 7.553 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -6.018 8.002 6.186 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.367 7.329 7.492 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -3.027 5.762 5.626 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -4.404 5.279 6.645 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -4.692 6.062 5.073 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -2.457 8.155 5.356 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -4.106 8.524 4.798 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -3.418 9.404 6.184 1.00 0.00 H new ATOM 1642 N GLU B 24 -7.588 8.535 9.179 1.00 0.00 N ATOM 1643 CA GLU B 24 -8.995 8.746 9.509 1.00 0.00 C ATOM 1644 C GLU B 24 -9.165 10.044 10.293 1.00 0.00 C ATOM 1645 O GLU B 24 -10.180 10.728 10.176 1.00 0.00 O ATOM 1646 CB GLU B 24 -9.543 7.562 10.310 1.00 0.00 C ATOM 1647 CG GLU B 24 -11.058 7.558 10.430 1.00 0.00 C ATOM 1648 CD GLU B 24 -11.572 6.449 11.323 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -11.702 6.681 12.543 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -11.864 5.350 10.812 1.00 0.00 O ATOM 0 H GLU B 24 -7.151 7.758 9.675 1.00 0.00 H new ATOM 0 HA GLU B 24 -9.561 8.823 8.580 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -9.222 6.634 9.837 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -9.108 7.577 11.309 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -11.389 8.519 10.824 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -11.496 7.452 9.438 1.00 0.00 H new ATOM 1657 N LYS B 25 -8.151 10.375 11.083 1.00 0.00 N ATOM 1658 CA LYS B 25 -8.101 11.638 11.809 1.00 0.00 C ATOM 1659 C LYS B 25 -8.123 12.801 10.825 1.00 0.00 C ATOM 1660 O LYS B 25 -8.731 13.838 11.083 1.00 0.00 O ATOM 1661 CB LYS B 25 -6.832 11.683 12.668 1.00 0.00 C ATOM 1662 CG LYS B 25 -6.673 12.935 13.515 1.00 0.00 C ATOM 1663 CD LYS B 25 -5.361 12.896 14.283 1.00 0.00 C ATOM 1664 CE LYS B 25 -5.155 14.137 15.134 1.00 0.00 C ATOM 1665 NZ LYS B 25 -6.165 14.251 16.220 1.00 0.00 N ATOM 0 H LYS B 25 -7.340 9.776 11.238 1.00 0.00 H new ATOM 0 HA LYS B 25 -8.971 11.720 12.461 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -6.826 10.814 13.326 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -5.965 11.593 12.013 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -6.702 13.819 12.877 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -7.507 13.018 14.212 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -5.342 12.013 14.922 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -4.534 12.799 13.580 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -4.156 14.114 15.571 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -5.205 15.022 14.500 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -5.906 15.034 16.854 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -7.101 14.436 15.806 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -6.195 13.363 16.761 1.00 0.00 H new ATOM 1679 N HIS B 26 -7.471 12.604 9.680 1.00 0.00 N ATOM 1680 CA HIS B 26 -7.465 13.603 8.615 1.00 0.00 C ATOM 1681 C HIS B 26 -8.826 13.651 7.936 1.00 0.00 C ATOM 1682 O HIS B 26 -9.232 14.685 7.404 1.00 0.00 O ATOM 1683 CB HIS B 26 -6.416 13.274 7.539 1.00 0.00 C ATOM 1684 CG HIS B 26 -5.008 13.145 8.034 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -4.040 12.433 7.358 1.00 0.00 N ATOM 1686 CD2 HIS B 26 -4.401 13.652 9.126 1.00 0.00 C ATOM 1687 CE1 HIS B 26 -2.900 12.511 8.019 1.00 0.00 C ATOM 1688 NE2 HIS B 26 -3.093 13.244 9.091 1.00 0.00 N ATOM 0 H HIS B 26 -6.940 11.760 9.467 1.00 0.00 H new ATOM 0 HA HIS B 26 -7.225 14.561 9.076 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -6.699 12.341 7.053 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -6.445 14.052 6.777 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -4.860 14.266 9.887 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -1.968 12.050 7.728 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -2.383 13.473 9.787 1.00 0.00 H new ATOM 1697 N LYS B 27 -9.519 12.511 7.965 1.00 0.00 N ATOM 1698 CA LYS B 27 -10.722 12.300 7.169 1.00 0.00 C ATOM 1699 C LYS B 27 -10.399 12.599 5.706 1.00 0.00 C ATOM 1700 O LYS B 27 -11.148 13.269 4.995 1.00 0.00 O ATOM 1701 CB LYS B 27 -11.889 13.157 7.678 1.00 0.00 C ATOM 1702 CG LYS B 27 -13.239 12.731 7.115 1.00 0.00 C ATOM 1703 CD LYS B 27 -14.394 13.455 7.786 1.00 0.00 C ATOM 1704 CE LYS B 27 -14.452 13.156 9.277 1.00 0.00 C ATOM 1705 NZ LYS B 27 -15.724 13.624 9.885 1.00 0.00 N ATOM 0 H LYS B 27 -9.259 11.711 8.542 1.00 0.00 H new ATOM 0 HA LYS B 27 -11.041 11.262 7.261 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -11.923 13.103 8.766 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -11.707 14.199 7.417 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -13.262 12.928 6.043 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -13.362 11.656 7.244 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -14.289 14.529 7.634 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -15.332 13.157 7.318 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -14.346 12.083 9.437 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -13.612 13.637 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -15.725 13.402 10.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -15.813 14.652 9.755 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -16.525 13.146 9.425 1.00 0.00 H new ATOM 1719 N ALA B 28 -9.251 12.086 5.282 1.00 0.00 N ATOM 1720 CA ALA B 28 -8.735 12.325 3.945 1.00 0.00 C ATOM 1721 C ALA B 28 -9.521 11.541 2.901 1.00 0.00 C ATOM 1722 O ALA B 28 -9.948 10.412 3.156 1.00 0.00 O ATOM 1723 CB ALA B 28 -7.262 11.942 3.892 1.00 0.00 C ATOM 0 H ALA B 28 -8.653 11.493 5.857 1.00 0.00 H new ATOM 0 HA ALA B 28 -8.845 13.385 3.717 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.875 12.121 2.889 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -6.704 12.544 4.609 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -7.151 10.886 4.140 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.733 12.135 1.716 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.376 11.454 0.589 1.00 0.00 C ATOM 1731 C PRO B 29 -9.611 10.197 0.182 1.00 0.00 C ATOM 1732 O PRO B 29 -8.420 10.063 0.482 1.00 0.00 O ATOM 1733 CB PRO B 29 -10.337 12.493 -0.537 1.00 0.00 C ATOM 1734 CG PRO B 29 -10.193 13.804 0.155 1.00 0.00 C ATOM 1735 CD PRO B 29 -9.382 13.528 1.388 1.00 0.00 C ATOM 0 HA PRO B 29 -11.385 11.120 0.832 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -9.503 12.310 -1.214 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.247 12.460 -1.136 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.695 14.532 -0.486 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -11.167 14.219 0.412 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -8.314 13.641 1.201 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.638 14.210 2.199 1.00 0.00 H new ATOM 1743 N THR B 30 -10.288 9.286 -0.501 1.00 0.00 N ATOM 1744 CA THR B 30 -9.691 8.019 -0.896 1.00 0.00 C ATOM 1745 C THR B 30 -8.494 8.249 -1.819 1.00 0.00 C ATOM 1746 O THR B 30 -7.492 7.536 -1.737 1.00 0.00 O ATOM 1747 CB THR B 30 -10.734 7.121 -1.591 1.00 0.00 C ATOM 1748 OG1 THR B 30 -11.899 7.014 -0.759 1.00 0.00 O ATOM 1749 CG2 THR B 30 -10.174 5.732 -1.859 1.00 0.00 C ATOM 0 H THR B 30 -11.258 9.402 -0.795 1.00 0.00 H new ATOM 0 HA THR B 30 -9.342 7.514 0.005 1.00 0.00 H new ATOM 0 HB THR B 30 -10.995 7.574 -2.547 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.564 6.445 -1.199 1.00 0.00 H new ATOM 0 HG21 THR B 30 -10.933 5.122 -2.350 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.299 5.811 -2.504 1.00 0.00 H new ATOM 0 HG23 THR B 30 -9.889 5.266 -0.916 1.00 0.00 H new ATOM 1757 N ASP B 31 -8.598 9.268 -2.669 1.00 0.00 N ATOM 1758 CA ASP B 31 -7.505 9.655 -3.564 1.00 0.00 C ATOM 1759 C ASP B 31 -6.243 9.943 -2.769 1.00 0.00 C ATOM 1760 O ASP B 31 -5.180 9.381 -3.033 1.00 0.00 O ATOM 1761 CB ASP B 31 -7.878 10.910 -4.360 1.00 0.00 C ATOM 1762 CG ASP B 31 -9.128 10.740 -5.193 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -10.232 10.686 -4.609 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -9.018 10.681 -6.433 1.00 0.00 O ATOM 0 H ASP B 31 -9.434 9.846 -2.758 1.00 0.00 H new ATOM 0 HA ASP B 31 -7.328 8.826 -4.249 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -8.020 11.741 -3.669 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -7.048 11.177 -5.014 1.00 0.00 H new ATOM 1769 N LEU B 32 -6.381 10.816 -1.780 1.00 0.00 N ATOM 1770 CA LEU B 32 -5.259 11.232 -0.952 1.00 0.00 C ATOM 1771 C LEU B 32 -4.764 10.067 -0.098 1.00 0.00 C ATOM 1772 O LEU B 32 -3.578 9.977 0.219 1.00 0.00 O ATOM 1773 CB LEU B 32 -5.678 12.413 -0.069 1.00 0.00 C ATOM 1774 CG LEU B 32 -4.544 13.116 0.684 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -3.486 13.619 -0.286 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -5.098 14.267 1.508 1.00 0.00 C ATOM 0 H LEU B 32 -7.268 11.253 -1.531 1.00 0.00 H new ATOM 0 HA LEU B 32 -4.439 11.549 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -6.184 13.148 -0.694 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.407 12.057 0.659 1.00 0.00 H new ATOM 0 HG LEU B 32 -4.076 12.396 1.356 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.690 14.115 0.269 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.072 12.777 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.937 14.326 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.283 14.759 2.039 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -5.587 14.984 0.849 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -5.821 13.884 2.228 1.00 0.00 H new ATOM 1788 N SER B 33 -5.678 9.166 0.253 1.00 0.00 N ATOM 1789 CA SER B 33 -5.326 7.986 1.030 1.00 0.00 C ATOM 1790 C SER B 33 -4.424 7.060 0.214 1.00 0.00 C ATOM 1791 O SER B 33 -3.314 6.732 0.630 1.00 0.00 O ATOM 1792 CB SER B 33 -6.589 7.235 1.460 1.00 0.00 C ATOM 1793 OG SER B 33 -7.499 8.099 2.126 1.00 0.00 O ATOM 0 H SER B 33 -6.667 9.232 0.011 1.00 0.00 H new ATOM 0 HA SER B 33 -4.787 8.309 1.920 1.00 0.00 H new ATOM 0 HB2 SER B 33 -7.071 6.799 0.585 1.00 0.00 H new ATOM 0 HB3 SER B 33 -6.318 6.410 2.119 1.00 0.00 H new ATOM 0 HG SER B 33 -7.927 8.690 1.472 1.00 0.00 H new ATOM 1799 N LEU B 34 -4.901 6.670 -0.964 1.00 0.00 N ATOM 1800 CA LEU B 34 -4.168 5.748 -1.822 1.00 0.00 C ATOM 1801 C LEU B 34 -2.841 6.355 -2.265 1.00 0.00 C ATOM 1802 O LEU B 34 -1.829 5.659 -2.349 1.00 0.00 O ATOM 1803 CB LEU B 34 -5.008 5.385 -3.052 1.00 0.00 C ATOM 1804 CG LEU B 34 -6.342 4.694 -2.757 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -7.123 4.479 -4.044 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -6.117 3.367 -2.048 1.00 0.00 C ATOM 0 H LEU B 34 -5.795 6.980 -1.346 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.962 4.844 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.207 6.296 -3.616 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.416 4.734 -3.696 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.923 5.340 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.069 3.987 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -7.319 5.442 -4.516 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.542 3.854 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -7.078 2.894 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.515 2.714 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.596 3.541 -1.107 1.00 0.00 H new ATOM 1818 N MET B 35 -2.847 7.657 -2.533 1.00 0.00 N ATOM 1819 CA MET B 35 -1.652 8.349 -3.002 1.00 0.00 C ATOM 1820 C MET B 35 -0.555 8.352 -1.938 1.00 0.00 C ATOM 1821 O MET B 35 0.606 8.063 -2.236 1.00 0.00 O ATOM 1822 CB MET B 35 -1.995 9.782 -3.418 1.00 0.00 C ATOM 1823 CG MET B 35 -0.804 10.571 -3.941 1.00 0.00 C ATOM 1824 SD MET B 35 -1.280 12.154 -4.663 1.00 0.00 S ATOM 1825 CE MET B 35 -2.230 11.606 -6.078 1.00 0.00 C ATOM 0 H MET B 35 -3.668 8.255 -2.433 1.00 0.00 H new ATOM 0 HA MET B 35 -1.273 7.810 -3.870 1.00 0.00 H new ATOM 0 HB2 MET B 35 -2.766 9.752 -4.188 1.00 0.00 H new ATOM 0 HB3 MET B 35 -2.419 10.307 -2.562 1.00 0.00 H new ATOM 0 HG2 MET B 35 -0.102 10.745 -3.125 1.00 0.00 H new ATOM 0 HG3 MET B 35 -0.281 9.977 -4.691 1.00 0.00 H new ATOM 0 HE1 MET B 35 -2.277 12.406 -6.816 1.00 0.00 H new ATOM 0 HE2 MET B 35 -1.752 10.732 -6.520 1.00 0.00 H new ATOM 0 HE3 MET B 35 -3.239 11.346 -5.760 1.00 0.00 H new ATOM 1835 N ALA B 36 -0.921 8.671 -0.700 1.00 0.00 N ATOM 1836 CA ALA B 36 0.042 8.686 0.395 1.00 0.00 C ATOM 1837 C ALA B 36 0.608 7.290 0.640 1.00 0.00 C ATOM 1838 O ALA B 36 1.827 7.099 0.692 1.00 0.00 O ATOM 1839 CB ALA B 36 -0.604 9.229 1.661 1.00 0.00 C ATOM 0 H ALA B 36 -1.873 8.921 -0.431 1.00 0.00 H new ATOM 0 HA ALA B 36 0.867 9.342 0.116 1.00 0.00 H new ATOM 0 HB1 ALA B 36 0.127 9.234 2.469 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -0.955 10.245 1.483 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.448 8.597 1.939 1.00 0.00 H new ATOM 1845 N LEU B 37 -0.283 6.313 0.767 1.00 0.00 N ATOM 1846 CA LEU B 37 0.117 4.937 1.040 1.00 0.00 C ATOM 1847 C LEU B 37 0.932 4.357 -0.112 1.00 0.00 C ATOM 1848 O LEU B 37 1.909 3.645 0.114 1.00 0.00 O ATOM 1849 CB LEU B 37 -1.110 4.057 1.316 1.00 0.00 C ATOM 1850 CG LEU B 37 -1.654 4.095 2.753 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -0.610 3.594 3.736 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -2.103 5.493 3.137 1.00 0.00 C ATOM 0 H LEU B 37 -1.291 6.449 0.685 1.00 0.00 H new ATOM 0 HA LEU B 37 0.747 4.949 1.930 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -1.909 4.358 0.638 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -0.856 3.026 1.072 1.00 0.00 H new ATOM 0 HG LEU B 37 -2.521 3.436 2.793 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -1.016 3.629 4.747 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.341 2.567 3.489 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.277 4.226 3.679 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.482 5.485 4.159 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.258 6.178 3.069 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -2.892 5.821 2.460 1.00 0.00 H new ATOM 1864 N GLY B 38 0.534 4.676 -1.340 1.00 0.00 N ATOM 1865 CA GLY B 38 1.235 4.179 -2.511 1.00 0.00 C ATOM 1866 C GLY B 38 2.701 4.559 -2.514 1.00 0.00 C ATOM 1867 O GLY B 38 3.571 3.708 -2.714 1.00 0.00 O ATOM 0 H GLY B 38 -0.267 5.274 -1.546 1.00 0.00 H new ATOM 0 HA2 GLY B 38 1.144 3.094 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.759 4.572 -3.409 1.00 0.00 H new ATOM 1871 N ASN B 39 2.977 5.835 -2.267 1.00 0.00 N ATOM 1872 CA ASN B 39 4.351 6.323 -2.214 1.00 0.00 C ATOM 1873 C ASN B 39 5.107 5.676 -1.060 1.00 0.00 C ATOM 1874 O ASN B 39 6.314 5.460 -1.137 1.00 0.00 O ATOM 1875 CB ASN B 39 4.388 7.848 -2.076 1.00 0.00 C ATOM 1876 CG ASN B 39 4.116 8.568 -3.385 1.00 0.00 C ATOM 1877 OD1 ASN B 39 5.034 8.851 -4.153 1.00 0.00 O ATOM 1878 ND2 ASN B 39 2.854 8.879 -3.647 1.00 0.00 N ATOM 0 H ASN B 39 2.269 6.550 -2.100 1.00 0.00 H new ATOM 0 HA ASN B 39 4.838 6.050 -3.150 1.00 0.00 H new ATOM 0 HB2 ASN B 39 3.650 8.159 -1.336 1.00 0.00 H new ATOM 0 HB3 ASN B 39 5.365 8.150 -1.698 1.00 0.00 H new ATOM 0 HD21 ASN B 39 2.618 9.369 -4.510 1.00 0.00 H new ATOM 0 HD22 ASN B 39 2.119 8.628 -2.986 1.00 0.00 H new ATOM 1885 N CYS B 40 4.390 5.356 0.010 1.00 0.00 N ATOM 1886 CA CYS B 40 4.994 4.685 1.151 1.00 0.00 C ATOM 1887 C CYS B 40 5.423 3.264 0.783 1.00 0.00 C ATOM 1888 O CYS B 40 6.422 2.767 1.294 1.00 0.00 O ATOM 1889 CB CYS B 40 4.027 4.658 2.336 1.00 0.00 C ATOM 1890 SG CYS B 40 3.582 6.296 2.958 1.00 0.00 S ATOM 0 H CYS B 40 3.394 5.550 0.110 1.00 0.00 H new ATOM 0 HA CYS B 40 5.882 5.247 1.441 1.00 0.00 H new ATOM 0 HB2 CYS B 40 3.119 4.134 2.039 1.00 0.00 H new ATOM 0 HB3 CYS B 40 4.476 4.083 3.146 1.00 0.00 H new ATOM 0 HG CYS B 40 2.706 6.838 2.165 1.00 0.00 H new ATOM 1896 N VAL B 41 4.690 2.621 -0.115 1.00 0.00 N ATOM 1897 CA VAL B 41 5.042 1.274 -0.553 1.00 0.00 C ATOM 1898 C VAL B 41 6.322 1.307 -1.390 1.00 0.00 C ATOM 1899 O VAL B 41 7.278 0.579 -1.114 1.00 0.00 O ATOM 1900 CB VAL B 41 3.905 0.615 -1.370 1.00 0.00 C ATOM 1901 CG1 VAL B 41 4.247 -0.827 -1.721 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.590 0.674 -0.610 1.00 0.00 C ATOM 0 H VAL B 41 3.853 3.005 -0.553 1.00 0.00 H new ATOM 0 HA VAL B 41 5.203 0.674 0.343 1.00 0.00 H new ATOM 0 HB VAL B 41 3.795 1.176 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL B 41 3.431 -1.265 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL B 41 5.161 -0.850 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.395 -1.399 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL B 41 1.805 0.205 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL B 41 2.693 0.145 0.338 1.00 0.00 H new ATOM 0 HG23 VAL B 41 2.327 1.714 -0.418 1.00 0.00 H new ATOM 1912 N THR B 42 6.352 2.184 -2.388 1.00 0.00 N ATOM 1913 CA THR B 42 7.497 2.281 -3.284 1.00 0.00 C ATOM 1914 C THR B 42 8.741 2.802 -2.564 1.00 0.00 C ATOM 1915 O THR B 42 9.850 2.319 -2.799 1.00 0.00 O ATOM 1916 CB THR B 42 7.189 3.189 -4.487 1.00 0.00 C ATOM 1917 OG1 THR B 42 6.529 4.382 -4.047 1.00 0.00 O ATOM 1918 CG2 THR B 42 6.324 2.466 -5.502 1.00 0.00 C ATOM 0 H THR B 42 5.597 2.837 -2.596 1.00 0.00 H new ATOM 0 HA THR B 42 7.698 1.270 -3.639 1.00 0.00 H new ATOM 0 HB THR B 42 8.132 3.455 -4.964 1.00 0.00 H new ATOM 0 HG1 THR B 42 6.338 4.954 -4.819 1.00 0.00 H new ATOM 0 HG21 THR B 42 6.120 3.128 -6.343 1.00 0.00 H new ATOM 0 HG22 THR B 42 6.846 1.578 -5.858 1.00 0.00 H new ATOM 0 HG23 THR B 42 5.384 2.172 -5.035 1.00 0.00 H new ATOM 1926 N HIS B 43 8.546 3.767 -1.667 1.00 0.00 N ATOM 1927 CA HIS B 43 9.659 4.389 -0.945 1.00 0.00 C ATOM 1928 C HIS B 43 10.376 3.375 -0.053 1.00 0.00 C ATOM 1929 O HIS B 43 11.488 3.617 0.404 1.00 0.00 O ATOM 1930 CB HIS B 43 9.160 5.605 -0.134 1.00 0.00 C ATOM 1931 CG HIS B 43 9.067 5.411 1.359 1.00 0.00 C ATOM 1932 ND1 HIS B 43 8.122 4.620 1.975 1.00 0.00 N ATOM 1933 CD2 HIS B 43 9.806 5.937 2.356 1.00 0.00 C ATOM 1934 CE1 HIS B 43 8.284 4.676 3.283 1.00 0.00 C ATOM 1935 NE2 HIS B 43 9.300 5.467 3.539 1.00 0.00 N ATOM 0 H HIS B 43 7.628 4.137 -1.421 1.00 0.00 H new ATOM 0 HA HIS B 43 10.386 4.745 -1.675 1.00 0.00 H new ATOM 0 HB2 HIS B 43 9.826 6.445 -0.330 1.00 0.00 H new ATOM 0 HB3 HIS B 43 8.175 5.885 -0.506 1.00 0.00 H new ATOM 0 HD1 HIS B 43 7.407 4.075 1.494 1.00 0.00 H new ATOM 0 HD2 HIS B 43 10.645 6.608 2.243 1.00 0.00 H new ATOM 0 HE1 HIS B 43 7.684 4.160 4.017 1.00 0.00 H new ATOM 1944 N LEU B 44 9.730 2.247 0.201 1.00 0.00 N ATOM 1945 CA LEU B 44 10.343 1.184 0.978 1.00 0.00 C ATOM 1946 C LEU B 44 11.094 0.227 0.059 1.00 0.00 C ATOM 1947 O LEU B 44 12.239 -0.144 0.331 1.00 0.00 O ATOM 1948 CB LEU B 44 9.282 0.425 1.777 1.00 0.00 C ATOM 1949 CG LEU B 44 8.678 1.199 2.950 1.00 0.00 C ATOM 1950 CD1 LEU B 44 7.481 0.453 3.521 1.00 0.00 C ATOM 1951 CD2 LEU B 44 9.726 1.425 4.030 1.00 0.00 C ATOM 0 H LEU B 44 8.783 2.046 -0.120 1.00 0.00 H new ATOM 0 HA LEU B 44 11.051 1.629 1.677 1.00 0.00 H new ATOM 0 HB2 LEU B 44 8.478 0.135 1.100 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.725 -0.495 2.158 1.00 0.00 H new ATOM 0 HG LEU B 44 8.338 2.169 2.586 1.00 0.00 H new ATOM 0 HD11 LEU B 44 7.064 1.018 4.355 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.723 0.335 2.747 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.798 -0.529 3.871 1.00 0.00 H new ATOM 0 HD21 LEU B 44 9.282 1.977 4.858 1.00 0.00 H new ATOM 0 HD22 LEU B 44 10.091 0.463 4.389 1.00 0.00 H new ATOM 0 HD23 LEU B 44 10.557 1.997 3.617 1.00 0.00 H new ATOM 1963 N LEU B 45 10.447 -0.149 -1.041 1.00 0.00 N ATOM 1964 CA LEU B 45 11.034 -1.061 -2.018 1.00 0.00 C ATOM 1965 C LEU B 45 12.323 -0.499 -2.604 1.00 0.00 C ATOM 1966 O LEU B 45 13.343 -1.179 -2.649 1.00 0.00 O ATOM 1967 CB LEU B 45 10.038 -1.350 -3.144 1.00 0.00 C ATOM 1968 CG LEU B 45 8.853 -2.234 -2.755 1.00 0.00 C ATOM 1969 CD1 LEU B 45 7.866 -2.338 -3.906 1.00 0.00 C ATOM 1970 CD2 LEU B 45 9.341 -3.616 -2.349 1.00 0.00 C ATOM 0 H LEU B 45 9.507 0.168 -1.279 1.00 0.00 H new ATOM 0 HA LEU B 45 11.272 -1.989 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.655 -0.402 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU B 45 10.572 -1.827 -3.966 1.00 0.00 H new ATOM 0 HG LEU B 45 8.344 -1.779 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU B 45 7.029 -2.971 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU B 45 7.498 -1.344 -4.160 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.363 -2.774 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU B 45 8.488 -4.237 -2.074 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.870 -4.075 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU B 45 10.015 -3.528 -1.497 1.00 0.00 H new ATOM 1982 N GLU B 46 12.280 0.752 -3.034 1.00 0.00 N ATOM 1983 CA GLU B 46 13.435 1.374 -3.674 1.00 0.00 C ATOM 1984 C GLU B 46 14.506 1.755 -2.652 1.00 0.00 C ATOM 1985 O GLU B 46 15.575 2.247 -3.013 1.00 0.00 O ATOM 1986 CB GLU B 46 12.999 2.615 -4.449 1.00 0.00 C ATOM 1987 CG GLU B 46 11.872 2.348 -5.431 1.00 0.00 C ATOM 1988 CD GLU B 46 11.541 3.559 -6.272 1.00 0.00 C ATOM 1989 OE1 GLU B 46 10.850 4.469 -5.768 1.00 0.00 O ATOM 1990 OE2 GLU B 46 11.974 3.604 -7.441 1.00 0.00 O ATOM 0 H GLU B 46 11.463 1.357 -2.953 1.00 0.00 H new ATOM 0 HA GLU B 46 13.866 0.645 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU B 46 12.681 3.382 -3.743 1.00 0.00 H new ATOM 0 HB3 GLU B 46 13.856 3.015 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU B 46 12.151 1.521 -6.084 1.00 0.00 H new ATOM 0 HG3 GLU B 46 10.983 2.036 -4.883 1.00 0.00 H new ATOM 1997 N ARG B 47 14.219 1.518 -1.381 1.00 0.00 N ATOM 1998 CA ARG B 47 15.122 1.911 -0.309 1.00 0.00 C ATOM 1999 C ARG B 47 15.937 0.724 0.202 1.00 0.00 C ATOM 2000 O ARG B 47 17.158 0.803 0.314 1.00 0.00 O ATOM 2001 CB ARG B 47 14.322 2.533 0.838 1.00 0.00 C ATOM 2002 CG ARG B 47 15.167 2.967 2.023 1.00 0.00 C ATOM 2003 CD ARG B 47 14.303 3.575 3.116 1.00 0.00 C ATOM 2004 NE ARG B 47 15.082 3.951 4.296 1.00 0.00 N ATOM 2005 CZ ARG B 47 14.550 4.482 5.396 1.00 0.00 C ATOM 2006 NH1 ARG B 47 13.246 4.717 5.460 1.00 0.00 N ATOM 2007 NH2 ARG B 47 15.324 4.791 6.427 1.00 0.00 N ATOM 0 H ARG B 47 13.367 1.055 -1.066 1.00 0.00 H new ATOM 0 HA ARG B 47 15.821 2.646 -0.708 1.00 0.00 H new ATOM 0 HB2 ARG B 47 13.777 3.397 0.459 1.00 0.00 H new ATOM 0 HB3 ARG B 47 13.579 1.813 1.180 1.00 0.00 H new ATOM 0 HG2 ARG B 47 15.711 2.110 2.419 1.00 0.00 H new ATOM 0 HG3 ARG B 47 15.911 3.694 1.697 1.00 0.00 H new ATOM 0 HD2 ARG B 47 13.793 4.455 2.725 1.00 0.00 H new ATOM 0 HD3 ARG B 47 13.532 2.861 3.405 1.00 0.00 H new ATOM 0 HE ARG B 47 16.090 3.798 4.275 1.00 0.00 H new ATOM 0 HH11 ARG B 47 12.647 4.491 4.666 1.00 0.00 H new ATOM 0 HH12 ARG B 47 12.842 5.124 6.304 1.00 0.00 H new ATOM 0 HH21 ARG B 47 16.329 4.622 6.379 1.00 0.00 H new ATOM 0 HH22 ARG B 47 14.915 5.197 7.268 1.00 0.00 H new ATOM 2021 N LYS B 48 15.261 -0.377 0.505 1.00 0.00 N ATOM 2022 CA LYS B 48 15.917 -1.514 1.149 1.00 0.00 C ATOM 2023 C LYS B 48 15.882 -2.769 0.281 1.00 0.00 C ATOM 2024 O LYS B 48 16.282 -3.848 0.723 1.00 0.00 O ATOM 2025 CB LYS B 48 15.246 -1.797 2.495 1.00 0.00 C ATOM 2026 CG LYS B 48 15.399 -0.670 3.506 1.00 0.00 C ATOM 2027 CD LYS B 48 16.825 -0.565 4.019 1.00 0.00 C ATOM 2028 CE LYS B 48 17.224 -1.804 4.804 1.00 0.00 C ATOM 2029 NZ LYS B 48 18.617 -1.718 5.311 1.00 0.00 N ATOM 0 H LYS B 48 14.267 -0.509 0.318 1.00 0.00 H new ATOM 0 HA LYS B 48 16.964 -1.250 1.298 1.00 0.00 H new ATOM 0 HB2 LYS B 48 14.185 -1.983 2.330 1.00 0.00 H new ATOM 0 HB3 LYS B 48 15.667 -2.710 2.916 1.00 0.00 H new ATOM 0 HG2 LYS B 48 15.108 0.274 3.046 1.00 0.00 H new ATOM 0 HG3 LYS B 48 14.722 -0.838 4.344 1.00 0.00 H new ATOM 0 HD2 LYS B 48 17.506 -0.429 3.179 1.00 0.00 H new ATOM 0 HD3 LYS B 48 16.921 0.316 4.653 1.00 0.00 H new ATOM 0 HE2 LYS B 48 16.541 -1.937 5.643 1.00 0.00 H new ATOM 0 HE3 LYS B 48 17.123 -2.684 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 18.848 -2.583 5.840 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 19.272 -1.617 4.510 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 18.708 -0.894 5.939 1.00 0.00 H new ATOM 2043 N VAL B 49 15.401 -2.636 -0.944 1.00 0.00 N ATOM 2044 CA VAL B 49 15.283 -3.779 -1.840 1.00 0.00 C ATOM 2045 C VAL B 49 16.041 -3.527 -3.145 1.00 0.00 C ATOM 2046 O VAL B 49 15.894 -2.466 -3.759 1.00 0.00 O ATOM 2047 CB VAL B 49 13.801 -4.096 -2.148 1.00 0.00 C ATOM 2048 CG1 VAL B 49 13.670 -5.363 -2.974 1.00 0.00 C ATOM 2049 CG2 VAL B 49 12.992 -4.213 -0.864 1.00 0.00 C ATOM 0 H VAL B 49 15.086 -1.751 -1.342 1.00 0.00 H new ATOM 0 HA VAL B 49 15.724 -4.638 -1.335 1.00 0.00 H new ATOM 0 HB VAL B 49 13.402 -3.267 -2.733 1.00 0.00 H new ATOM 0 HG11 VAL B 49 12.617 -5.559 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL B 49 14.202 -5.239 -3.917 1.00 0.00 H new ATOM 0 HG13 VAL B 49 14.097 -6.202 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL B 49 11.953 -4.436 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL B 49 13.401 -5.014 -0.248 1.00 0.00 H new ATOM 0 HG23 VAL B 49 13.042 -3.272 -0.315 1.00 0.00 H new ATOM 2059 N PRO B 50 16.876 -4.489 -3.575 1.00 0.00 N ATOM 2060 CA PRO B 50 17.606 -4.401 -4.847 1.00 0.00 C ATOM 2061 C PRO B 50 16.658 -4.317 -6.043 1.00 0.00 C ATOM 2062 O PRO B 50 15.535 -4.822 -5.988 1.00 0.00 O ATOM 2063 CB PRO B 50 18.421 -5.699 -4.895 1.00 0.00 C ATOM 2064 CG PRO B 50 17.769 -6.612 -3.915 1.00 0.00 C ATOM 2065 CD PRO B 50 17.187 -5.731 -2.849 1.00 0.00 C ATOM 0 HA PRO B 50 18.223 -3.504 -4.902 1.00 0.00 H new ATOM 0 HB2 PRO B 50 18.416 -6.129 -5.896 1.00 0.00 H new ATOM 0 HB3 PRO B 50 19.463 -5.519 -4.631 1.00 0.00 H new ATOM 0 HG2 PRO B 50 16.993 -7.208 -4.395 1.00 0.00 H new ATOM 0 HG3 PRO B 50 18.492 -7.310 -3.492 1.00 0.00 H new ATOM 0 HD2 PRO B 50 16.295 -6.172 -2.404 1.00 0.00 H new ATOM 0 HD3 PRO B 50 17.895 -5.558 -2.038 1.00 0.00 H new ATOM 2073 N SER B 51 17.128 -3.700 -7.126 1.00 0.00 N ATOM 2074 CA SER B 51 16.295 -3.409 -8.294 1.00 0.00 C ATOM 2075 C SER B 51 15.577 -4.653 -8.822 1.00 0.00 C ATOM 2076 O SER B 51 14.414 -4.578 -9.220 1.00 0.00 O ATOM 2077 CB SER B 51 17.147 -2.784 -9.400 1.00 0.00 C ATOM 2078 OG SER B 51 17.787 -1.600 -8.946 1.00 0.00 O ATOM 0 H SER B 51 18.095 -3.388 -7.220 1.00 0.00 H new ATOM 0 HA SER B 51 15.527 -2.703 -7.978 1.00 0.00 H new ATOM 0 HB2 SER B 51 17.897 -3.501 -9.734 1.00 0.00 H new ATOM 0 HB3 SER B 51 16.519 -2.554 -10.261 1.00 0.00 H new ATOM 0 HG SER B 51 18.327 -1.221 -9.671 1.00 0.00 H new ATOM 2084 N GLU B 52 16.264 -5.792 -8.813 1.00 0.00 N ATOM 2085 CA GLU B 52 15.677 -7.044 -9.280 1.00 0.00 C ATOM 2086 C GLU B 52 14.487 -7.442 -8.415 1.00 0.00 C ATOM 2087 O GLU B 52 13.398 -7.719 -8.916 1.00 0.00 O ATOM 2088 CB GLU B 52 16.709 -8.179 -9.261 1.00 0.00 C ATOM 2089 CG GLU B 52 17.791 -8.074 -10.326 1.00 0.00 C ATOM 2090 CD GLU B 52 18.691 -6.872 -10.146 1.00 0.00 C ATOM 2091 OE1 GLU B 52 19.436 -6.827 -9.147 1.00 0.00 O ATOM 2092 OE2 GLU B 52 18.661 -5.971 -11.008 1.00 0.00 O ATOM 0 H GLU B 52 17.227 -5.874 -8.488 1.00 0.00 H new ATOM 0 HA GLU B 52 15.342 -6.881 -10.304 1.00 0.00 H new ATOM 0 HB2 GLU B 52 17.185 -8.203 -8.281 1.00 0.00 H new ATOM 0 HB3 GLU B 52 16.187 -9.128 -9.385 1.00 0.00 H new ATOM 0 HG2 GLU B 52 18.398 -8.979 -10.309 1.00 0.00 H new ATOM 0 HG3 GLU B 52 17.321 -8.024 -11.308 1.00 0.00 H new ATOM 2099 N SER B 53 14.701 -7.444 -7.110 1.00 0.00 N ATOM 2100 CA SER B 53 13.701 -7.921 -6.175 1.00 0.00 C ATOM 2101 C SER B 53 12.567 -6.910 -6.002 1.00 0.00 C ATOM 2102 O SER B 53 11.471 -7.281 -5.593 1.00 0.00 O ATOM 2103 CB SER B 53 14.362 -8.230 -4.833 1.00 0.00 C ATOM 2104 OG SER B 53 15.510 -9.042 -5.020 1.00 0.00 O ATOM 0 H SER B 53 15.564 -7.118 -6.674 1.00 0.00 H new ATOM 0 HA SER B 53 13.260 -8.833 -6.576 1.00 0.00 H new ATOM 0 HB2 SER B 53 14.643 -7.301 -4.337 1.00 0.00 H new ATOM 0 HB3 SER B 53 13.652 -8.738 -4.180 1.00 0.00 H new ATOM 0 HG SER B 53 15.923 -9.230 -4.151 1.00 0.00 H new ATOM 2110 N ARG B 54 12.827 -5.638 -6.322 1.00 0.00 N ATOM 2111 CA ARG B 54 11.800 -4.595 -6.228 1.00 0.00 C ATOM 2112 C ARG B 54 10.548 -5.001 -6.994 1.00 0.00 C ATOM 2113 O ARG B 54 9.442 -4.938 -6.466 1.00 0.00 O ATOM 2114 CB ARG B 54 12.310 -3.252 -6.769 1.00 0.00 C ATOM 2115 CG ARG B 54 13.439 -2.637 -5.958 1.00 0.00 C ATOM 2116 CD ARG B 54 13.897 -1.312 -6.551 1.00 0.00 C ATOM 2117 NE ARG B 54 15.162 -0.856 -5.973 1.00 0.00 N ATOM 2118 CZ ARG B 54 15.833 0.222 -6.395 1.00 0.00 C ATOM 2119 NH1 ARG B 54 15.312 1.015 -7.326 1.00 0.00 N ATOM 2120 NH2 ARG B 54 17.017 0.517 -5.874 1.00 0.00 N ATOM 0 H ARG B 54 13.735 -5.307 -6.647 1.00 0.00 H new ATOM 0 HA ARG B 54 11.558 -4.477 -5.172 1.00 0.00 H new ATOM 0 HB2 ARG B 54 12.651 -3.393 -7.795 1.00 0.00 H new ATOM 0 HB3 ARG B 54 11.478 -2.548 -6.803 1.00 0.00 H new ATOM 0 HG2 ARG B 54 13.108 -2.482 -4.931 1.00 0.00 H new ATOM 0 HG3 ARG B 54 14.280 -3.330 -5.920 1.00 0.00 H new ATOM 0 HD2 ARG B 54 14.010 -1.418 -7.630 1.00 0.00 H new ATOM 0 HD3 ARG B 54 13.130 -0.556 -6.384 1.00 0.00 H new ATOM 0 HE ARG B 54 15.556 -1.393 -5.201 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.396 0.803 -7.722 1.00 0.00 H new ATOM 0 HH12 ARG B 54 15.828 1.835 -7.644 1.00 0.00 H new ATOM 0 HH21 ARG B 54 17.418 -0.079 -5.150 1.00 0.00 H new ATOM 0 HH22 ARG B 54 17.526 1.339 -6.198 1.00 0.00 H new ATOM 2134 N GLN B 55 10.735 -5.440 -8.233 1.00 0.00 N ATOM 2135 CA GLN B 55 9.618 -5.835 -9.081 1.00 0.00 C ATOM 2136 C GLN B 55 8.994 -7.142 -8.604 1.00 0.00 C ATOM 2137 O GLN B 55 7.775 -7.292 -8.615 1.00 0.00 O ATOM 2138 CB GLN B 55 10.074 -5.966 -10.535 1.00 0.00 C ATOM 2139 CG GLN B 55 10.353 -4.628 -11.200 1.00 0.00 C ATOM 2140 CD GLN B 55 9.105 -3.772 -11.324 1.00 0.00 C ATOM 2141 OE1 GLN B 55 7.998 -4.284 -11.474 1.00 0.00 O ATOM 2142 NE2 GLN B 55 9.273 -2.462 -11.260 1.00 0.00 N ATOM 0 H GLN B 55 11.651 -5.531 -8.673 1.00 0.00 H new ATOM 0 HA GLN B 55 8.858 -5.056 -9.016 1.00 0.00 H new ATOM 0 HB2 GLN B 55 10.976 -6.577 -10.572 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.308 -6.493 -11.103 1.00 0.00 H new ATOM 0 HG2 GLN B 55 11.105 -4.089 -10.624 1.00 0.00 H new ATOM 0 HG3 GLN B 55 10.773 -4.799 -12.191 1.00 0.00 H new ATOM 0 HE21 GLN B 55 10.208 -2.073 -11.135 1.00 0.00 H new ATOM 0 HE22 GLN B 55 8.468 -1.840 -11.336 1.00 0.00 H new ATOM 2151 N ALA B 56 9.830 -8.075 -8.168 1.00 0.00 N ATOM 2152 CA ALA B 56 9.350 -9.375 -7.713 1.00 0.00 C ATOM 2153 C ALA B 56 8.524 -9.246 -6.434 1.00 0.00 C ATOM 2154 O ALA B 56 7.513 -9.929 -6.263 1.00 0.00 O ATOM 2155 CB ALA B 56 10.516 -10.324 -7.504 1.00 0.00 C ATOM 0 H ALA B 56 10.842 -7.957 -8.119 1.00 0.00 H new ATOM 0 HA ALA B 56 8.700 -9.784 -8.487 1.00 0.00 H new ATOM 0 HB1 ALA B 56 10.142 -11.290 -7.164 1.00 0.00 H new ATOM 0 HB2 ALA B 56 11.053 -10.453 -8.444 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.191 -9.912 -6.754 1.00 0.00 H new ATOM 2161 N VAL B 57 8.953 -8.367 -5.538 1.00 0.00 N ATOM 2162 CA VAL B 57 8.193 -8.097 -4.327 1.00 0.00 C ATOM 2163 C VAL B 57 6.955 -7.279 -4.667 1.00 0.00 C ATOM 2164 O VAL B 57 5.888 -7.497 -4.103 1.00 0.00 O ATOM 2165 CB VAL B 57 9.029 -7.355 -3.256 1.00 0.00 C ATOM 2166 CG1 VAL B 57 8.186 -7.045 -2.027 1.00 0.00 C ATOM 2167 CG2 VAL B 57 10.248 -8.173 -2.859 1.00 0.00 C ATOM 0 H VAL B 57 9.817 -7.833 -5.626 1.00 0.00 H new ATOM 0 HA VAL B 57 7.904 -9.060 -3.905 1.00 0.00 H new ATOM 0 HB VAL B 57 9.367 -6.415 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL B 57 8.796 -6.524 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.344 -6.414 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL B 57 7.813 -7.975 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL B 57 10.820 -7.631 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL B 57 9.926 -9.131 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.873 -8.344 -3.736 1.00 0.00 H new ATOM 2177 N ALA B 58 7.099 -6.352 -5.610 1.00 0.00 N ATOM 2178 CA ALA B 58 5.983 -5.517 -6.040 1.00 0.00 C ATOM 2179 C ALA B 58 4.870 -6.361 -6.649 1.00 0.00 C ATOM 2180 O ALA B 58 3.696 -6.169 -6.333 1.00 0.00 O ATOM 2181 CB ALA B 58 6.449 -4.466 -7.036 1.00 0.00 C ATOM 0 H ALA B 58 7.978 -6.161 -6.091 1.00 0.00 H new ATOM 0 HA ALA B 58 5.587 -5.012 -5.159 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.601 -3.855 -7.343 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.203 -3.832 -6.570 1.00 0.00 H new ATOM 0 HB3 ALA B 58 6.878 -4.957 -7.910 1.00 0.00 H new ATOM 2187 N GLU B 59 5.236 -7.303 -7.511 1.00 0.00 N ATOM 2188 CA GLU B 59 4.245 -8.146 -8.163 1.00 0.00 C ATOM 2189 C GLU B 59 3.604 -9.099 -7.156 1.00 0.00 C ATOM 2190 O GLU B 59 2.427 -9.436 -7.277 1.00 0.00 O ATOM 2191 CB GLU B 59 4.856 -8.926 -9.334 1.00 0.00 C ATOM 2192 CG GLU B 59 5.810 -10.033 -8.927 1.00 0.00 C ATOM 2193 CD GLU B 59 6.152 -10.943 -10.085 1.00 0.00 C ATOM 2194 OE1 GLU B 59 5.421 -11.937 -10.296 1.00 0.00 O ATOM 2195 OE2 GLU B 59 7.131 -10.666 -10.801 1.00 0.00 O ATOM 0 H GLU B 59 6.202 -7.500 -7.772 1.00 0.00 H new ATOM 0 HA GLU B 59 3.469 -7.496 -8.567 1.00 0.00 H new ATOM 0 HB2 GLU B 59 4.049 -9.359 -9.925 1.00 0.00 H new ATOM 0 HB3 GLU B 59 5.386 -8.227 -9.981 1.00 0.00 H new ATOM 0 HG2 GLU B 59 6.725 -9.594 -8.529 1.00 0.00 H new ATOM 0 HG3 GLU B 59 5.363 -10.620 -8.125 1.00 0.00 H new ATOM 2202 N GLN B 60 4.377 -9.516 -6.155 1.00 0.00 N ATOM 2203 CA GLN B 60 3.855 -10.379 -5.101 1.00 0.00 C ATOM 2204 C GLN B 60 2.929 -9.580 -4.194 1.00 0.00 C ATOM 2205 O GLN B 60 1.869 -10.056 -3.797 1.00 0.00 O ATOM 2206 CB GLN B 60 4.998 -10.989 -4.282 1.00 0.00 C ATOM 2207 CG GLN B 60 4.542 -12.076 -3.322 1.00 0.00 C ATOM 2208 CD GLN B 60 5.681 -12.664 -2.510 1.00 0.00 C ATOM 2209 OE1 GLN B 60 5.979 -12.203 -1.409 1.00 0.00 O ATOM 2210 NE2 GLN B 60 6.331 -13.679 -3.056 1.00 0.00 N ATOM 0 H GLN B 60 5.362 -9.271 -6.053 1.00 0.00 H new ATOM 0 HA GLN B 60 3.294 -11.192 -5.562 1.00 0.00 H new ATOM 0 HB2 GLN B 60 5.741 -11.405 -4.963 1.00 0.00 H new ATOM 0 HB3 GLN B 60 5.491 -10.199 -3.716 1.00 0.00 H new ATOM 0 HG2 GLN B 60 3.794 -11.664 -2.644 1.00 0.00 H new ATOM 0 HG3 GLN B 60 4.057 -12.872 -3.887 1.00 0.00 H new ATOM 0 HE21 GLN B 60 6.051 -14.031 -3.972 1.00 0.00 H new ATOM 0 HE22 GLN B 60 7.112 -14.110 -2.561 1.00 0.00 H new ATOM 2219 N PHE B 61 3.342 -8.356 -3.888 1.00 0.00 N ATOM 2220 CA PHE B 61 2.544 -7.432 -3.092 1.00 0.00 C ATOM 2221 C PHE B 61 1.214 -7.166 -3.786 1.00 0.00 C ATOM 2222 O PHE B 61 0.150 -7.261 -3.177 1.00 0.00 O ATOM 2223 CB PHE B 61 3.317 -6.120 -2.907 1.00 0.00 C ATOM 2224 CG PHE B 61 2.667 -5.134 -1.977 1.00 0.00 C ATOM 2225 CD1 PHE B 61 1.719 -4.233 -2.442 1.00 0.00 C ATOM 2226 CD2 PHE B 61 3.020 -5.098 -0.639 1.00 0.00 C ATOM 2227 CE1 PHE B 61 1.136 -3.320 -1.587 1.00 0.00 C ATOM 2228 CE2 PHE B 61 2.439 -4.189 0.219 1.00 0.00 C ATOM 2229 CZ PHE B 61 1.496 -3.298 -0.255 1.00 0.00 C ATOM 0 H PHE B 61 4.241 -7.976 -4.185 1.00 0.00 H new ATOM 0 HA PHE B 61 2.346 -7.871 -2.114 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.314 -6.351 -2.531 1.00 0.00 H new ATOM 0 HB3 PHE B 61 3.446 -5.649 -3.882 1.00 0.00 H new ATOM 0 HD1 PHE B 61 1.435 -4.247 -3.484 1.00 0.00 H new ATOM 0 HD2 PHE B 61 3.759 -5.790 -0.263 1.00 0.00 H new ATOM 0 HE1 PHE B 61 0.399 -2.624 -1.960 1.00 0.00 H new ATOM 0 HE2 PHE B 61 2.721 -4.173 1.261 1.00 0.00 H new ATOM 0 HZ PHE B 61 1.041 -2.585 0.416 1.00 0.00 H new ATOM 2239 N ALA B 62 1.291 -6.845 -5.071 1.00 0.00 N ATOM 2240 CA ALA B 62 0.108 -6.600 -5.881 1.00 0.00 C ATOM 2241 C ALA B 62 -0.782 -7.833 -5.930 1.00 0.00 C ATOM 2242 O ALA B 62 -2.007 -7.737 -5.820 1.00 0.00 O ATOM 2243 CB ALA B 62 0.519 -6.194 -7.283 1.00 0.00 C ATOM 0 H ALA B 62 2.171 -6.748 -5.578 1.00 0.00 H new ATOM 0 HA ALA B 62 -0.461 -5.790 -5.425 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -0.371 -6.012 -7.885 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.118 -5.285 -7.237 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.106 -6.993 -7.736 1.00 0.00 H new ATOM 2249 N LYS B 63 -0.152 -8.991 -6.089 1.00 0.00 N ATOM 2250 CA LYS B 63 -0.864 -10.259 -6.132 1.00 0.00 C ATOM 2251 C LYS B 63 -1.563 -10.512 -4.801 1.00 0.00 C ATOM 2252 O LYS B 63 -2.674 -11.033 -4.765 1.00 0.00 O ATOM 2253 CB LYS B 63 0.112 -11.397 -6.441 1.00 0.00 C ATOM 2254 CG LYS B 63 -0.562 -12.716 -6.786 1.00 0.00 C ATOM 2255 CD LYS B 63 0.461 -13.816 -7.036 1.00 0.00 C ATOM 2256 CE LYS B 63 1.428 -13.447 -8.153 1.00 0.00 C ATOM 2257 NZ LYS B 63 2.447 -14.506 -8.372 1.00 0.00 N ATOM 0 H LYS B 63 0.859 -9.076 -6.191 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.616 -10.216 -6.920 1.00 0.00 H new ATOM 0 HB2 LYS B 63 0.750 -11.099 -7.273 1.00 0.00 H new ATOM 0 HB3 LYS B 63 0.762 -11.548 -5.579 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -1.224 -13.011 -5.972 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.184 -12.587 -7.672 1.00 0.00 H new ATOM 0 HD2 LYS B 63 1.020 -14.007 -6.120 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -0.055 -14.741 -7.293 1.00 0.00 H new ATOM 0 HE2 LYS B 63 0.872 -13.281 -9.076 1.00 0.00 H new ATOM 0 HE3 LYS B 63 1.926 -12.509 -7.908 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 3.087 -14.219 -9.140 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 2.995 -14.647 -7.499 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 1.974 -15.395 -8.631 1.00 0.00 H new ATOM 2271 N ALA B 64 -0.902 -10.122 -3.716 1.00 0.00 N ATOM 2272 CA ALA B 64 -1.459 -10.265 -2.377 1.00 0.00 C ATOM 2273 C ALA B 64 -2.763 -9.487 -2.243 1.00 0.00 C ATOM 2274 O ALA B 64 -3.770 -10.026 -1.779 1.00 0.00 O ATOM 2275 CB ALA B 64 -0.456 -9.798 -1.331 1.00 0.00 C ATOM 0 H ALA B 64 0.027 -9.701 -3.740 1.00 0.00 H new ATOM 0 HA ALA B 64 -1.673 -11.321 -2.211 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -0.888 -9.911 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA B 64 0.451 -10.398 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA B 64 -0.212 -8.750 -1.503 1.00 0.00 H new ATOM 2281 N LEU B 65 -2.745 -8.222 -2.661 1.00 0.00 N ATOM 2282 CA LEU B 65 -3.932 -7.378 -2.570 1.00 0.00 C ATOM 2283 C LEU B 65 -5.036 -7.950 -3.451 1.00 0.00 C ATOM 2284 O LEU B 65 -6.163 -8.163 -3.004 1.00 0.00 O ATOM 2285 CB LEU B 65 -3.651 -5.932 -3.012 1.00 0.00 C ATOM 2286 CG LEU B 65 -2.275 -5.356 -2.684 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -2.231 -3.886 -3.063 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -1.932 -5.523 -1.219 1.00 0.00 C ATOM 0 H LEU B 65 -1.927 -7.763 -3.063 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.238 -7.363 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.792 -5.875 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -4.404 -5.288 -2.558 1.00 0.00 H new ATOM 0 HG LEU B 65 -1.534 -5.908 -3.262 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -1.248 -3.479 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -2.421 -3.780 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -2.992 -3.343 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -0.946 -5.101 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -2.674 -5.006 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -1.929 -6.583 -0.965 1.00 0.00 H new ATOM 2300 N ALA B 66 -4.683 -8.214 -4.708 1.00 0.00 N ATOM 2301 CA ALA B 66 -5.634 -8.715 -5.692 1.00 0.00 C ATOM 2302 C ALA B 66 -6.267 -10.023 -5.240 1.00 0.00 C ATOM 2303 O ALA B 66 -7.486 -10.180 -5.293 1.00 0.00 O ATOM 2304 CB ALA B 66 -4.950 -8.896 -7.040 1.00 0.00 C ATOM 0 H ALA B 66 -3.737 -8.087 -5.068 1.00 0.00 H new ATOM 0 HA ALA B 66 -6.431 -7.978 -5.793 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -5.671 -9.271 -7.766 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -4.557 -7.938 -7.380 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -4.132 -9.609 -6.940 1.00 0.00 H new ATOM 2310 N GLN B 67 -5.441 -10.955 -4.779 1.00 0.00 N ATOM 2311 CA GLN B 67 -5.925 -12.253 -4.332 1.00 0.00 C ATOM 2312 C GLN B 67 -6.854 -12.099 -3.130 1.00 0.00 C ATOM 2313 O GLN B 67 -7.907 -12.727 -3.066 1.00 0.00 O ATOM 2314 CB GLN B 67 -4.751 -13.166 -3.969 1.00 0.00 C ATOM 2315 CG GLN B 67 -5.164 -14.574 -3.569 1.00 0.00 C ATOM 2316 CD GLN B 67 -3.992 -15.416 -3.107 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -3.662 -15.442 -1.921 1.00 0.00 O ATOM 2318 NE2 GLN B 67 -3.358 -16.114 -4.036 1.00 0.00 N ATOM 0 H GLN B 67 -4.431 -10.834 -4.705 1.00 0.00 H new ATOM 0 HA GLN B 67 -6.485 -12.705 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -4.073 -13.225 -4.821 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -4.193 -12.715 -3.148 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -5.904 -14.519 -2.771 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -5.646 -15.062 -4.416 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -3.663 -16.065 -5.008 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -2.564 -16.701 -3.780 1.00 0.00 H new ATOM 2327 N SER B 68 -6.468 -11.237 -2.199 1.00 0.00 N ATOM 2328 CA SER B 68 -7.222 -11.057 -0.966 1.00 0.00 C ATOM 2329 C SER B 68 -8.612 -10.479 -1.242 1.00 0.00 C ATOM 2330 O SER B 68 -9.549 -10.698 -0.476 1.00 0.00 O ATOM 2331 CB SER B 68 -6.442 -10.150 -0.004 1.00 0.00 C ATOM 2332 OG SER B 68 -6.986 -10.183 1.305 1.00 0.00 O ATOM 0 H SER B 68 -5.636 -10.651 -2.274 1.00 0.00 H new ATOM 0 HA SER B 68 -7.358 -12.034 -0.503 1.00 0.00 H new ATOM 0 HB2 SER B 68 -5.399 -10.465 0.027 1.00 0.00 H new ATOM 0 HB3 SER B 68 -6.455 -9.126 -0.378 1.00 0.00 H new ATOM 0 HG SER B 68 -6.464 -9.596 1.891 1.00 0.00 H new ATOM 2338 N VAL B 69 -8.743 -9.742 -2.339 1.00 0.00 N ATOM 2339 CA VAL B 69 -10.023 -9.146 -2.699 1.00 0.00 C ATOM 2340 C VAL B 69 -10.785 -10.025 -3.693 1.00 0.00 C ATOM 2341 O VAL B 69 -11.938 -10.390 -3.458 1.00 0.00 O ATOM 2342 CB VAL B 69 -9.830 -7.741 -3.319 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -11.172 -7.121 -3.686 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -9.069 -6.833 -2.362 1.00 0.00 C ATOM 0 H VAL B 69 -7.984 -9.544 -2.991 1.00 0.00 H new ATOM 0 HA VAL B 69 -10.601 -9.059 -1.779 1.00 0.00 H new ATOM 0 HB VAL B 69 -9.244 -7.852 -4.231 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -11.010 -6.134 -4.120 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -11.681 -7.757 -4.411 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -11.787 -7.028 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -8.943 -5.850 -2.816 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -9.628 -6.734 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -8.090 -7.264 -2.153 1.00 0.00 H new ATOM 2354 N LYS B 70 -10.121 -10.389 -4.778 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.782 -11.024 -5.918 1.00 0.00 C ATOM 2356 C LYS B 70 -11.043 -12.510 -5.683 1.00 0.00 C ATOM 2357 O LYS B 70 -12.093 -13.024 -6.067 1.00 0.00 O ATOM 2358 CB LYS B 70 -9.937 -10.811 -7.180 1.00 0.00 C ATOM 2359 CG LYS B 70 -10.527 -11.409 -8.446 1.00 0.00 C ATOM 2360 CD LYS B 70 -9.795 -10.895 -9.675 1.00 0.00 C ATOM 2361 CE LYS B 70 -10.311 -11.533 -10.954 1.00 0.00 C ATOM 2362 NZ LYS B 70 -9.863 -12.944 -11.090 1.00 0.00 N ATOM 0 H LYS B 70 -9.117 -10.256 -4.898 1.00 0.00 H new ATOM 0 HA LYS B 70 -11.757 -10.555 -6.047 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -9.797 -9.741 -7.331 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -8.949 -11.242 -7.017 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -10.461 -12.496 -8.406 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -11.585 -11.156 -8.515 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -9.909 -9.813 -9.738 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -8.729 -11.098 -9.573 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -11.400 -11.495 -10.964 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -9.964 -10.958 -11.812 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -10.193 -13.327 -11.999 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.824 -12.983 -11.055 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -10.258 -13.510 -10.312 1.00 0.00 H new ATOM 2376 N SER B 71 -10.113 -13.196 -5.023 1.00 0.00 N ATOM 2377 CA SER B 71 -10.226 -14.640 -4.821 1.00 0.00 C ATOM 2378 C SER B 71 -11.354 -14.979 -3.844 1.00 0.00 C ATOM 2379 O SER B 71 -11.687 -16.149 -3.648 1.00 0.00 O ATOM 2380 CB SER B 71 -8.894 -15.216 -4.323 1.00 0.00 C ATOM 2381 OG SER B 71 -8.970 -16.618 -4.124 1.00 0.00 O ATOM 0 H SER B 71 -9.275 -12.778 -4.620 1.00 0.00 H new ATOM 0 HA SER B 71 -10.469 -15.095 -5.782 1.00 0.00 H new ATOM 0 HB2 SER B 71 -8.109 -14.993 -5.045 1.00 0.00 H new ATOM 0 HB3 SER B 71 -8.615 -14.730 -3.388 1.00 0.00 H new ATOM 0 HG SER B 71 -9.905 -16.879 -3.986 1.00 0.00 H new