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 55 GLN : amide:sc= 0.275 K(o=1,f=-6.4!) USER MOD Set 1.2: B 70 LYS NZ :NH3+ -118:sc= 0.771 (180deg=-0.397) USER MOD Set 2.1: A 9 ASN : amide:sc= -0.0671 X(o=-0.067,f=0) USER MOD Set 2.2: A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 29:sc= 0.25 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 86:sc= 1.27 USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 1.18 (180deg=1.05) USER MOD Single : A 26 HIS : no HD1:sc= 0.62 K(o=0.62,f=-5.6!) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 1.26 (180deg=0.889) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 33 SER OG : rot 75:sc= 1.21 USER MOD Single : A 35 MET CE :methyl -162:sc= -0.18 (180deg=-0.817) USER MOD Single : A 39 ASN : amide:sc= -1.9! K(o=-1.9!,f=-0.045) USER MOD Single : A 40 CYS SG : rot 170:sc= -0.248 USER MOD Single : A 42 THR OG1 : rot 78:sc= 0.581 USER MOD Single : A 43 HIS : no HE2:sc= 1.15 K(o=1.2,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00818 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.82) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 1.29 (180deg=0.906) USER MOD Single : A 67 GLN : amide:sc= -0.204 K(o=-0.2,f=-0.87) USER MOD Single : A 68 SER OG : rot 170:sc= -0.943 USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0123) USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : B 27 LYS NZ :NH3+ 163:sc= 0.0821 (180deg=-0.886) USER MOD Single : B 30 THR OG1 : rot -100:sc= -1.9! USER MOD Single : B 33 SER OG : rot 20:sc= -0.0739 USER MOD Single : B 35 MET CE :methyl 167:sc= -0.017 (180deg=-0.252) USER MOD Single : B 39 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : B 40 CYS SG : rot 58:sc= -0.217 USER MOD Single : B 42 THR OG1 : rot 82:sc= 0.434 USER MOD Single : B 43 HIS : no HE2:sc= 0.138 K(o=0.14,f=-3!) USER MOD Single : B 48 LYS NZ :NH3+ -164:sc= -0.0481 (180deg=-0.313) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.0039) USER MOD Single : B 60 GLN : amide:sc= -0.958 K(o=-0.96,f=-0.0018) USER MOD Single : B 63 LYS NZ :NH3+ -179:sc= 0.677 (180deg=0.605) USER MOD Single : B 67 GLN : amide:sc= -0.381 K(o=-0.38,f=-1.5) USER MOD Single : B 68 SER OG : rot 82:sc= 1.26 USER MOD Single : B 71 SER OG : rot -23:sc= 0.206 USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 8 -2.568 19.741 -2.614 1.00 0.00 N ATOM 121 CA SER A 8 -1.328 20.419 -2.932 1.00 0.00 C ATOM 122 C SER A 8 -0.128 19.532 -2.615 1.00 0.00 C ATOM 123 O SER A 8 -0.261 18.519 -1.921 1.00 0.00 O ATOM 124 CB SER A 8 -1.254 21.722 -2.136 1.00 0.00 C ATOM 125 OG SER A 8 -2.458 22.468 -2.267 1.00 0.00 O ATOM 0 HA SER A 8 -1.304 20.641 -3.999 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.072 21.500 -1.084 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.412 22.319 -2.486 1.00 0.00 H new ATOM 0 HG SER A 8 -3.208 21.855 -2.414 1.00 0.00 H new ATOM 131 N ASN A 9 1.036 19.927 -3.121 1.00 0.00 N ATOM 132 CA ASN A 9 2.274 19.178 -2.923 1.00 0.00 C ATOM 133 C ASN A 9 2.576 18.990 -1.441 1.00 0.00 C ATOM 134 O ASN A 9 2.704 17.864 -0.963 1.00 0.00 O ATOM 135 CB ASN A 9 3.441 19.903 -3.607 1.00 0.00 C ATOM 136 CG ASN A 9 4.792 19.278 -3.301 1.00 0.00 C ATOM 137 OD1 ASN A 9 5.232 18.355 -3.988 1.00 0.00 O ATOM 138 ND2 ASN A 9 5.469 19.791 -2.281 1.00 0.00 N ATOM 0 H ASN A 9 1.149 20.773 -3.679 1.00 0.00 H new ATOM 0 HA ASN A 9 2.147 18.192 -3.370 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.281 19.899 -4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.449 20.946 -3.290 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.389 19.421 -2.042 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.069 20.555 -1.737 1.00 0.00 H new ATOM 145 N THR A 10 2.654 20.100 -0.718 1.00 0.00 N ATOM 146 CA THR A 10 3.017 20.080 0.692 1.00 0.00 C ATOM 147 C THR A 10 1.989 19.302 1.514 1.00 0.00 C ATOM 148 O THR A 10 2.325 18.689 2.528 1.00 0.00 O ATOM 149 CB THR A 10 3.141 21.519 1.231 1.00 0.00 C ATOM 150 OG1 THR A 10 3.925 22.299 0.317 1.00 0.00 O ATOM 151 CG2 THR A 10 3.794 21.542 2.607 1.00 0.00 C ATOM 0 H THR A 10 2.469 21.032 -1.089 1.00 0.00 H new ATOM 0 HA THR A 10 3.980 19.578 0.785 1.00 0.00 H new ATOM 0 HB THR A 10 2.139 21.938 1.324 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.005 23.216 0.655 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.866 22.571 2.958 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.191 20.962 3.306 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.792 21.109 2.543 1.00 0.00 H new ATOM 159 N GLN A 11 0.743 19.310 1.053 1.00 0.00 N ATOM 160 CA GLN A 11 -0.325 18.576 1.718 1.00 0.00 C ATOM 161 C GLN A 11 -0.062 17.076 1.645 1.00 0.00 C ATOM 162 O GLN A 11 0.192 16.429 2.661 1.00 0.00 O ATOM 163 CB GLN A 11 -1.674 18.896 1.068 1.00 0.00 C ATOM 164 CG GLN A 11 -2.841 18.113 1.653 1.00 0.00 C ATOM 165 CD GLN A 11 -4.117 18.306 0.862 1.00 0.00 C ATOM 166 OE1 GLN A 11 -4.394 17.561 -0.074 1.00 0.00 O ATOM 167 NE2 GLN A 11 -4.899 19.310 1.221 1.00 0.00 N ATOM 0 H GLN A 11 0.448 19.818 0.219 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.353 18.881 2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.874 19.962 1.175 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.610 18.690 -0.000 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.588 17.053 1.678 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.005 18.426 2.684 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.635 19.907 2.004 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.766 19.487 0.715 1.00 0.00 H new ATOM 176 N VAL A 12 -0.086 16.546 0.430 1.00 0.00 N ATOM 177 CA VAL A 12 0.039 15.112 0.209 1.00 0.00 C ATOM 178 C VAL A 12 1.399 14.594 0.680 1.00 0.00 C ATOM 179 O VAL A 12 1.489 13.517 1.270 1.00 0.00 O ATOM 180 CB VAL A 12 -0.170 14.763 -1.283 1.00 0.00 C ATOM 181 CG1 VAL A 12 -0.079 13.260 -1.513 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.509 15.301 -1.774 1.00 0.00 C ATOM 0 H VAL A 12 -0.192 17.093 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.738 14.623 0.797 1.00 0.00 H new ATOM 0 HB VAL A 12 0.626 15.238 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.230 13.044 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.905 12.904 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.847 12.755 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.640 15.046 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.316 14.857 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.531 16.385 -1.658 1.00 0.00 H new ATOM 192 N GLU A 13 2.448 15.379 0.448 1.00 0.00 N ATOM 193 CA GLU A 13 3.799 14.983 0.829 1.00 0.00 C ATOM 194 C GLU A 13 3.915 14.810 2.344 1.00 0.00 C ATOM 195 O GLU A 13 4.541 13.860 2.819 1.00 0.00 O ATOM 196 CB GLU A 13 4.821 16.014 0.340 1.00 0.00 C ATOM 197 CG GLU A 13 6.264 15.604 0.582 1.00 0.00 C ATOM 198 CD GLU A 13 7.254 16.615 0.046 1.00 0.00 C ATOM 199 OE1 GLU A 13 7.606 16.528 -1.149 1.00 0.00 O ATOM 200 OE2 GLU A 13 7.689 17.495 0.820 1.00 0.00 O ATOM 0 H GLU A 13 2.388 16.292 -0.002 1.00 0.00 H new ATOM 0 HA GLU A 13 4.010 14.024 0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.674 16.181 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.634 16.964 0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.426 15.474 1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.447 14.638 0.112 1.00 0.00 H new ATOM 207 N SER A 14 3.298 15.715 3.098 1.00 0.00 N ATOM 208 CA SER A 14 3.333 15.636 4.553 1.00 0.00 C ATOM 209 C SER A 14 2.532 14.436 5.052 1.00 0.00 C ATOM 210 O SER A 14 2.892 13.814 6.049 1.00 0.00 O ATOM 211 CB SER A 14 2.807 16.927 5.177 1.00 0.00 C ATOM 212 OG SER A 14 3.624 18.028 4.818 1.00 0.00 O ATOM 0 H SER A 14 2.771 16.506 2.728 1.00 0.00 H new ATOM 0 HA SER A 14 4.371 15.504 4.858 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.783 17.105 4.847 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.780 16.827 6.262 1.00 0.00 H new ATOM 0 HG SER A 14 3.329 18.386 3.955 1.00 0.00 H new ATOM 218 N LEU A 15 1.454 14.106 4.347 1.00 0.00 N ATOM 219 CA LEU A 15 0.665 12.927 4.683 1.00 0.00 C ATOM 220 C LEU A 15 1.506 11.670 4.520 1.00 0.00 C ATOM 221 O LEU A 15 1.609 10.865 5.441 1.00 0.00 O ATOM 222 CB LEU A 15 -0.592 12.834 3.810 1.00 0.00 C ATOM 223 CG LEU A 15 -1.855 13.475 4.394 1.00 0.00 C ATOM 224 CD1 LEU A 15 -1.660 14.964 4.631 1.00 0.00 C ATOM 225 CD2 LEU A 15 -3.042 13.236 3.475 1.00 0.00 C ATOM 0 H LEU A 15 1.109 14.634 3.545 1.00 0.00 H new ATOM 0 HA LEU A 15 0.351 13.017 5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.380 13.303 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.798 11.782 3.613 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.054 13.006 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.574 15.389 5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.839 15.116 5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.427 15.455 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.932 13.697 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.840 13.675 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.206 12.164 3.364 1.00 0.00 H new ATOM 237 N ILE A 16 2.126 11.531 3.353 1.00 0.00 N ATOM 238 CA ILE A 16 2.976 10.383 3.055 1.00 0.00 C ATOM 239 C ILE A 16 4.103 10.262 4.079 1.00 0.00 C ATOM 240 O ILE A 16 4.366 9.180 4.608 1.00 0.00 O ATOM 241 CB ILE A 16 3.588 10.501 1.642 1.00 0.00 C ATOM 242 CG1 ILE A 16 2.478 10.632 0.594 1.00 0.00 C ATOM 243 CG2 ILE A 16 4.475 9.300 1.334 1.00 0.00 C ATOM 244 CD1 ILE A 16 2.984 10.972 -0.791 1.00 0.00 C ATOM 0 H ILE A 16 2.055 12.206 2.591 1.00 0.00 H new ATOM 0 HA ILE A 16 2.349 9.492 3.101 1.00 0.00 H new ATOM 0 HB ILE A 16 4.208 11.397 1.609 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.922 9.696 0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.778 11.403 0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.895 9.405 0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.283 9.248 2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.882 8.387 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.141 11.048 -1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.515 11.924 -0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.661 10.190 -1.133 1.00 0.00 H new ATOM 256 N ALA A 17 4.750 11.385 4.365 1.00 0.00 N ATOM 257 CA ALA A 17 5.864 11.412 5.301 1.00 0.00 C ATOM 258 C ALA A 17 5.424 10.993 6.700 1.00 0.00 C ATOM 259 O ALA A 17 6.162 10.313 7.411 1.00 0.00 O ATOM 260 CB ALA A 17 6.491 12.797 5.339 1.00 0.00 C ATOM 0 H ALA A 17 4.520 12.292 3.959 1.00 0.00 H new ATOM 0 HA ALA A 17 6.609 10.696 4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.323 12.801 6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.856 13.059 4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.745 13.526 5.655 1.00 0.00 H new ATOM 266 N GLU A 18 4.216 11.390 7.086 1.00 0.00 N ATOM 267 CA GLU A 18 3.701 11.087 8.414 1.00 0.00 C ATOM 268 C GLU A 18 3.465 9.585 8.572 1.00 0.00 C ATOM 269 O GLU A 18 3.754 9.012 9.623 1.00 0.00 O ATOM 270 CB GLU A 18 2.406 11.860 8.679 1.00 0.00 C ATOM 271 CG GLU A 18 2.023 11.920 10.149 1.00 0.00 C ATOM 272 CD GLU A 18 3.019 12.708 10.975 1.00 0.00 C ATOM 273 OE1 GLU A 18 4.119 12.187 11.247 1.00 0.00 O ATOM 274 OE2 GLU A 18 2.712 13.861 11.344 1.00 0.00 O ATOM 0 H GLU A 18 3.576 11.923 6.497 1.00 0.00 H new ATOM 0 HA GLU A 18 4.446 11.398 9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.515 12.876 8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.594 11.395 8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.036 12.373 10.246 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.949 10.907 10.544 1.00 0.00 H new ATOM 281 N ILE A 19 2.958 8.949 7.515 1.00 0.00 N ATOM 282 CA ILE A 19 2.724 7.504 7.530 1.00 0.00 C ATOM 283 C ILE A 19 4.049 6.769 7.754 1.00 0.00 C ATOM 284 O ILE A 19 4.136 5.812 8.533 1.00 0.00 O ATOM 285 CB ILE A 19 2.105 7.001 6.201 1.00 0.00 C ATOM 286 CG1 ILE A 19 1.023 7.957 5.683 1.00 0.00 C ATOM 287 CG2 ILE A 19 1.513 5.615 6.394 1.00 0.00 C ATOM 288 CD1 ILE A 19 -0.248 7.968 6.505 1.00 0.00 C ATOM 0 H ILE A 19 2.702 9.409 6.641 1.00 0.00 H new ATOM 0 HA ILE A 19 2.023 7.299 8.339 1.00 0.00 H new ATOM 0 HB ILE A 19 2.903 6.960 5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.431 8.967 5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.775 7.684 4.657 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.080 5.270 5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.296 4.925 6.708 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.737 5.654 7.158 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.958 8.671 6.068 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.685 6.969 6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.018 8.272 7.526 1.00 0.00 H new ATOM 300 N LEU A 20 5.082 7.249 7.070 1.00 0.00 N ATOM 301 CA LEU A 20 6.420 6.683 7.179 1.00 0.00 C ATOM 302 C LEU A 20 6.966 6.853 8.592 1.00 0.00 C ATOM 303 O LEU A 20 7.674 5.986 9.102 1.00 0.00 O ATOM 304 CB LEU A 20 7.356 7.358 6.175 1.00 0.00 C ATOM 305 CG LEU A 20 6.919 7.255 4.712 1.00 0.00 C ATOM 306 CD1 LEU A 20 7.794 8.134 3.836 1.00 0.00 C ATOM 307 CD2 LEU A 20 6.973 5.810 4.238 1.00 0.00 C ATOM 0 H LEU A 20 5.015 8.038 6.427 1.00 0.00 H new ATOM 0 HA LEU A 20 6.361 5.617 6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.447 8.412 6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.348 6.918 6.274 1.00 0.00 H new ATOM 0 HG LEU A 20 5.889 7.603 4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.471 8.050 2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.708 9.171 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.832 7.813 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.659 5.757 3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.992 5.435 4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.307 5.201 4.849 1.00 0.00 H new ATOM 319 N VAL A 21 6.627 7.976 9.219 1.00 0.00 N ATOM 320 CA VAL A 21 7.038 8.237 10.592 1.00 0.00 C ATOM 321 C VAL A 21 6.397 7.236 11.545 1.00 0.00 C ATOM 322 O VAL A 21 7.013 6.823 12.520 1.00 0.00 O ATOM 323 CB VAL A 21 6.696 9.681 11.030 1.00 0.00 C ATOM 324 CG1 VAL A 21 6.976 9.890 12.513 1.00 0.00 C ATOM 325 CG2 VAL A 21 7.489 10.680 10.203 1.00 0.00 C ATOM 0 H VAL A 21 6.069 8.718 8.797 1.00 0.00 H new ATOM 0 HA VAL A 21 8.121 8.123 10.632 1.00 0.00 H new ATOM 0 HB VAL A 21 5.631 9.841 10.862 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.726 10.914 12.790 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.371 9.198 13.099 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.032 9.708 12.713 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.241 11.693 10.520 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.555 10.506 10.347 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.240 10.558 9.149 1.00 0.00 H new ATOM 335 N VAL A 22 5.167 6.829 11.245 1.00 0.00 N ATOM 336 CA VAL A 22 4.490 5.805 12.035 1.00 0.00 C ATOM 337 C VAL A 22 5.322 4.529 12.050 1.00 0.00 C ATOM 338 O VAL A 22 5.658 4.000 13.113 1.00 0.00 O ATOM 339 CB VAL A 22 3.087 5.482 11.479 1.00 0.00 C ATOM 340 CG1 VAL A 22 2.377 4.458 12.354 1.00 0.00 C ATOM 341 CG2 VAL A 22 2.259 6.748 11.355 1.00 0.00 C ATOM 0 H VAL A 22 4.620 7.191 10.464 1.00 0.00 H new ATOM 0 HA VAL A 22 4.376 6.197 13.046 1.00 0.00 H new ATOM 0 HB VAL A 22 3.207 5.050 10.485 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.391 4.248 11.941 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.961 3.538 12.385 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.270 4.854 13.364 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.273 6.501 10.961 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.153 7.211 12.336 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.756 7.443 10.678 1.00 0.00 H new ATOM 351 N LEU A 23 5.653 4.052 10.857 1.00 0.00 N ATOM 352 CA LEU A 23 6.523 2.884 10.707 1.00 0.00 C ATOM 353 C LEU A 23 7.865 3.078 11.417 1.00 0.00 C ATOM 354 O LEU A 23 8.277 2.239 12.220 1.00 0.00 O ATOM 355 CB LEU A 23 6.768 2.598 9.227 1.00 0.00 C ATOM 356 CG LEU A 23 5.519 2.271 8.414 1.00 0.00 C ATOM 357 CD1 LEU A 23 5.871 2.131 6.944 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.860 1.001 8.935 1.00 0.00 C ATOM 0 H LEU A 23 5.334 4.454 9.976 1.00 0.00 H new ATOM 0 HA LEU A 23 6.015 2.038 11.169 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.256 3.465 8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.464 1.764 9.145 1.00 0.00 H new ATOM 0 HG LEU A 23 4.808 3.090 8.521 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.971 1.898 6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.297 3.066 6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.598 1.328 6.819 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.971 0.783 8.343 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.560 0.169 8.857 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.576 1.140 9.978 1.00 0.00 H new ATOM 370 N GLU A 24 8.533 4.192 11.126 1.00 0.00 N ATOM 371 CA GLU A 24 9.866 4.468 11.665 1.00 0.00 C ATOM 372 C GLU A 24 9.837 4.614 13.189 1.00 0.00 C ATOM 373 O GLU A 24 10.802 4.276 13.874 1.00 0.00 O ATOM 374 CB GLU A 24 10.430 5.741 11.026 1.00 0.00 C ATOM 375 CG GLU A 24 11.889 6.015 11.362 1.00 0.00 C ATOM 376 CD GLU A 24 12.827 4.952 10.821 1.00 0.00 C ATOM 377 OE1 GLU A 24 12.949 4.834 9.585 1.00 0.00 O ATOM 378 OE2 GLU A 24 13.465 4.244 11.625 1.00 0.00 O ATOM 0 H GLU A 24 8.171 4.924 10.515 1.00 0.00 H new ATOM 0 HA GLU A 24 10.510 3.622 11.424 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.326 5.667 9.943 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.829 6.592 11.347 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.174 6.985 10.956 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.002 6.076 12.444 1.00 0.00 H new ATOM 385 N LYS A 25 8.723 5.111 13.715 1.00 0.00 N ATOM 386 CA LYS A 25 8.567 5.309 15.153 1.00 0.00 C ATOM 387 C LYS A 25 8.607 3.973 15.894 1.00 0.00 C ATOM 388 O LYS A 25 9.026 3.905 17.048 1.00 0.00 O ATOM 389 CB LYS A 25 7.251 6.037 15.442 1.00 0.00 C ATOM 390 CG LYS A 25 7.047 6.414 16.902 1.00 0.00 C ATOM 391 CD LYS A 25 5.766 7.210 17.094 1.00 0.00 C ATOM 392 CE LYS A 25 4.539 6.398 16.710 1.00 0.00 C ATOM 393 NZ LYS A 25 3.298 7.214 16.746 1.00 0.00 N ATOM 0 H LYS A 25 7.910 5.386 13.164 1.00 0.00 H new ATOM 0 HA LYS A 25 9.397 5.920 15.509 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.211 6.943 14.837 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.423 5.404 15.124 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.011 5.511 17.511 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.897 7.000 17.251 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.684 7.523 18.135 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.806 8.117 16.490 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.674 5.988 15.709 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.437 5.552 17.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.469 6.586 16.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.291 7.798 17.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.263 7.830 15.909 1.00 0.00 H new ATOM 407 N HIS A 26 8.176 2.914 15.219 1.00 0.00 N ATOM 408 CA HIS A 26 8.204 1.576 15.805 1.00 0.00 C ATOM 409 C HIS A 26 9.411 0.805 15.296 1.00 0.00 C ATOM 410 O HIS A 26 9.638 -0.340 15.688 1.00 0.00 O ATOM 411 CB HIS A 26 6.924 0.803 15.473 1.00 0.00 C ATOM 412 CG HIS A 26 5.685 1.386 16.080 1.00 0.00 C ATOM 413 ND1 HIS A 26 5.260 1.090 17.354 1.00 0.00 N ATOM 414 CD2 HIS A 26 4.772 2.246 15.575 1.00 0.00 C ATOM 415 CE1 HIS A 26 4.140 1.739 17.605 1.00 0.00 C ATOM 416 NE2 HIS A 26 3.821 2.449 16.540 1.00 0.00 N ATOM 0 H HIS A 26 7.804 2.953 14.270 1.00 0.00 H new ATOM 0 HA HIS A 26 8.273 1.685 16.887 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.804 0.768 14.390 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.034 -0.226 15.815 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.789 2.691 14.591 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.579 1.696 18.527 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.002 3.050 16.450 1.00 0.00 H new ATOM 425 N LYS A 27 10.177 1.456 14.424 1.00 0.00 N ATOM 426 CA LYS A 27 11.337 0.853 13.776 1.00 0.00 C ATOM 427 C LYS A 27 10.929 -0.427 13.051 1.00 0.00 C ATOM 428 O LYS A 27 11.626 -1.441 13.100 1.00 0.00 O ATOM 429 CB LYS A 27 12.444 0.564 14.796 1.00 0.00 C ATOM 430 CG LYS A 27 13.827 0.484 14.167 1.00 0.00 C ATOM 431 CD LYS A 27 14.231 1.824 13.576 1.00 0.00 C ATOM 432 CE LYS A 27 15.492 1.719 12.739 1.00 0.00 C ATOM 433 NZ LYS A 27 15.924 3.046 12.228 1.00 0.00 N ATOM 0 H LYS A 27 10.009 2.423 14.146 1.00 0.00 H new ATOM 0 HA LYS A 27 11.729 1.560 13.045 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.442 1.344 15.557 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.227 -0.376 15.303 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.556 0.179 14.918 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.833 -0.278 13.388 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.418 2.208 12.960 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.389 2.542 14.381 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.291 1.282 13.338 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.317 1.045 11.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.583 2.915 11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.093 3.580 11.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.399 3.573 12.988 1.00 0.00 H new ATOM 447 N ALA A 28 9.794 -0.359 12.366 1.00 0.00 N ATOM 448 CA ALA A 28 9.244 -1.511 11.671 1.00 0.00 C ATOM 449 C ALA A 28 10.147 -1.945 10.521 1.00 0.00 C ATOM 450 O ALA A 28 10.458 -1.154 9.627 1.00 0.00 O ATOM 451 CB ALA A 28 7.846 -1.200 11.159 1.00 0.00 C ATOM 0 H ALA A 28 9.235 0.489 12.278 1.00 0.00 H new ATOM 0 HA ALA A 28 9.185 -2.336 12.380 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.446 -2.071 10.641 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.198 -0.949 11.999 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.890 -0.357 10.470 1.00 0.00 H new ATOM 457 N PRO A 29 10.594 -3.209 10.542 1.00 0.00 N ATOM 458 CA PRO A 29 11.404 -3.778 9.465 1.00 0.00 C ATOM 459 C PRO A 29 10.618 -3.868 8.162 1.00 0.00 C ATOM 460 O PRO A 29 9.402 -3.657 8.146 1.00 0.00 O ATOM 461 CB PRO A 29 11.768 -5.178 9.976 1.00 0.00 C ATOM 462 CG PRO A 29 11.492 -5.147 11.441 1.00 0.00 C ATOM 463 CD PRO A 29 10.363 -4.177 11.623 1.00 0.00 C ATOM 0 HA PRO A 29 12.278 -3.166 9.240 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.173 -5.945 9.480 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.815 -5.409 9.778 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.221 -6.137 11.809 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.373 -4.830 11.998 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.392 -4.663 11.531 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.390 -3.703 12.604 1.00 0.00 H new ATOM 471 N THR A 30 11.310 -4.187 7.078 1.00 0.00 N ATOM 472 CA THR A 30 10.698 -4.259 5.758 1.00 0.00 C ATOM 473 C THR A 30 9.484 -5.188 5.758 1.00 0.00 C ATOM 474 O THR A 30 8.429 -4.844 5.224 1.00 0.00 O ATOM 475 CB THR A 30 11.718 -4.755 4.717 1.00 0.00 C ATOM 476 OG1 THR A 30 12.985 -4.121 4.942 1.00 0.00 O ATOM 477 CG2 THR A 30 11.245 -4.456 3.302 1.00 0.00 C ATOM 0 H THR A 30 12.307 -4.402 7.087 1.00 0.00 H new ATOM 0 HA THR A 30 10.369 -3.254 5.495 1.00 0.00 H new ATOM 0 HB THR A 30 11.819 -5.835 4.826 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.633 -4.440 4.279 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.985 -4.817 2.587 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.293 -4.956 3.123 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.118 -3.380 3.180 1.00 0.00 H new ATOM 485 N ASP A 31 9.635 -6.347 6.389 1.00 0.00 N ATOM 486 CA ASP A 31 8.573 -7.343 6.443 1.00 0.00 C ATOM 487 C ASP A 31 7.345 -6.814 7.180 1.00 0.00 C ATOM 488 O ASP A 31 6.222 -6.937 6.689 1.00 0.00 O ATOM 489 CB ASP A 31 9.080 -8.630 7.109 1.00 0.00 C ATOM 490 CG ASP A 31 9.712 -8.388 8.467 1.00 0.00 C ATOM 491 OD1 ASP A 31 10.904 -8.019 8.514 1.00 0.00 O ATOM 492 OD2 ASP A 31 9.030 -8.574 9.493 1.00 0.00 O ATOM 0 H ASP A 31 10.490 -6.621 6.874 1.00 0.00 H new ATOM 0 HA ASP A 31 8.276 -7.566 5.418 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.249 -9.326 7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.810 -9.107 6.455 1.00 0.00 H new ATOM 497 N LEU A 32 7.560 -6.204 8.340 1.00 0.00 N ATOM 498 CA LEU A 32 6.459 -5.693 9.148 1.00 0.00 C ATOM 499 C LEU A 32 5.801 -4.502 8.458 1.00 0.00 C ATOM 500 O LEU A 32 4.578 -4.345 8.493 1.00 0.00 O ATOM 501 CB LEU A 32 6.968 -5.291 10.537 1.00 0.00 C ATOM 502 CG LEU A 32 5.882 -4.997 11.579 1.00 0.00 C ATOM 503 CD1 LEU A 32 5.015 -6.225 11.808 1.00 0.00 C ATOM 504 CD2 LEU A 32 6.510 -4.538 12.886 1.00 0.00 C ATOM 0 H LEU A 32 8.485 -6.051 8.742 1.00 0.00 H new ATOM 0 HA LEU A 32 5.714 -6.480 9.262 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.604 -6.090 10.917 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.596 -4.406 10.433 1.00 0.00 H new ATOM 0 HG LEU A 32 5.249 -4.195 11.199 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.250 -5.997 12.550 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.537 -6.513 10.872 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.635 -7.047 12.166 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.725 -4.334 13.615 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.166 -5.320 13.269 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.089 -3.631 12.713 1.00 0.00 H new ATOM 516 N SER A 33 6.622 -3.678 7.814 1.00 0.00 N ATOM 517 CA SER A 33 6.134 -2.509 7.096 1.00 0.00 C ATOM 518 C SER A 33 5.235 -2.923 5.933 1.00 0.00 C ATOM 519 O SER A 33 4.090 -2.485 5.839 1.00 0.00 O ATOM 520 CB SER A 33 7.309 -1.674 6.578 1.00 0.00 C ATOM 521 OG SER A 33 8.155 -1.264 7.640 1.00 0.00 O ATOM 0 H SER A 33 7.634 -3.801 7.776 1.00 0.00 H new ATOM 0 HA SER A 33 5.548 -1.905 7.789 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.882 -2.257 5.857 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.931 -0.798 6.051 1.00 0.00 H new ATOM 0 HG SER A 33 8.686 -2.028 7.949 1.00 0.00 H new ATOM 527 N LEU A 34 5.751 -3.790 5.064 1.00 0.00 N ATOM 528 CA LEU A 34 5.007 -4.229 3.888 1.00 0.00 C ATOM 529 C LEU A 34 3.731 -4.962 4.288 1.00 0.00 C ATOM 530 O LEU A 34 2.704 -4.841 3.621 1.00 0.00 O ATOM 531 CB LEU A 34 5.874 -5.130 3.006 1.00 0.00 C ATOM 532 CG LEU A 34 7.093 -4.449 2.376 1.00 0.00 C ATOM 533 CD1 LEU A 34 7.908 -5.452 1.577 1.00 0.00 C ATOM 534 CD2 LEU A 34 6.661 -3.289 1.490 1.00 0.00 C ATOM 0 H LEU A 34 6.680 -4.201 5.153 1.00 0.00 H new ATOM 0 HA LEU A 34 4.730 -3.341 3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.218 -5.974 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.253 -5.537 2.208 1.00 0.00 H new ATOM 0 HG LEU A 34 7.718 -4.055 3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.770 -4.952 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.249 -6.250 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.290 -5.875 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.541 -2.818 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.014 -3.660 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.118 -2.557 2.088 1.00 0.00 H new ATOM 546 N MET A 35 3.800 -5.711 5.382 1.00 0.00 N ATOM 547 CA MET A 35 2.640 -6.435 5.886 1.00 0.00 C ATOM 548 C MET A 35 1.540 -5.462 6.299 1.00 0.00 C ATOM 549 O MET A 35 0.405 -5.555 5.828 1.00 0.00 O ATOM 550 CB MET A 35 3.034 -7.314 7.076 1.00 0.00 C ATOM 551 CG MET A 35 1.895 -8.170 7.606 1.00 0.00 C ATOM 552 SD MET A 35 2.385 -9.180 9.018 1.00 0.00 S ATOM 553 CE MET A 35 3.716 -10.145 8.305 1.00 0.00 C ATOM 0 H MET A 35 4.647 -5.833 5.937 1.00 0.00 H new ATOM 0 HA MET A 35 2.262 -7.073 5.087 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.858 -7.964 6.780 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.403 -6.678 7.880 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.065 -7.525 7.896 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.531 -8.818 6.809 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.906 -11.019 8.928 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.434 -10.469 7.303 1.00 0.00 H new ATOM 0 HE3 MET A 35 4.618 -9.536 8.249 1.00 0.00 H new ATOM 563 N ALA A 36 1.893 -4.514 7.162 1.00 0.00 N ATOM 564 CA ALA A 36 0.935 -3.534 7.661 1.00 0.00 C ATOM 565 C ALA A 36 0.397 -2.666 6.529 1.00 0.00 C ATOM 566 O ALA A 36 -0.814 -2.486 6.395 1.00 0.00 O ATOM 567 CB ALA A 36 1.577 -2.667 8.733 1.00 0.00 C ATOM 0 H ALA A 36 2.838 -4.404 7.531 1.00 0.00 H new ATOM 0 HA ALA A 36 0.096 -4.074 8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.851 -1.940 9.096 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.906 -3.296 9.560 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.435 -2.143 8.312 1.00 0.00 H new ATOM 573 N LEU A 37 1.303 -2.150 5.710 1.00 0.00 N ATOM 574 CA LEU A 37 0.933 -1.290 4.589 1.00 0.00 C ATOM 575 C LEU A 37 0.048 -2.034 3.599 1.00 0.00 C ATOM 576 O LEU A 37 -0.967 -1.506 3.149 1.00 0.00 O ATOM 577 CB LEU A 37 2.189 -0.760 3.884 1.00 0.00 C ATOM 578 CG LEU A 37 2.776 0.539 4.454 1.00 0.00 C ATOM 579 CD1 LEU A 37 1.888 1.720 4.113 1.00 0.00 C ATOM 580 CD2 LEU A 37 2.958 0.447 5.960 1.00 0.00 C ATOM 0 H LEU A 37 2.306 -2.312 5.800 1.00 0.00 H new ATOM 0 HA LEU A 37 0.368 -0.446 4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.958 -1.532 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.952 -0.599 2.832 1.00 0.00 H new ATOM 0 HG LEU A 37 3.755 0.687 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.321 2.632 4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.808 1.814 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.896 1.564 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.375 1.382 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.993 0.266 6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.637 -0.373 6.195 1.00 0.00 H new ATOM 592 N GLY A 38 0.428 -3.266 3.277 1.00 0.00 N ATOM 593 CA GLY A 38 -0.342 -4.066 2.346 1.00 0.00 C ATOM 594 C GLY A 38 -1.760 -4.296 2.819 1.00 0.00 C ATOM 595 O GLY A 38 -2.716 -4.136 2.056 1.00 0.00 O ATOM 0 H GLY A 38 1.260 -3.725 3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.362 -3.571 1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.151 -5.028 2.203 1.00 0.00 H new ATOM 599 N ASN A 39 -1.902 -4.648 4.089 1.00 0.00 N ATOM 600 CA ASN A 39 -3.220 -4.880 4.667 1.00 0.00 C ATOM 601 C ASN A 39 -4.004 -3.575 4.722 1.00 0.00 C ATOM 602 O ASN A 39 -5.214 -3.558 4.506 1.00 0.00 O ATOM 603 CB ASN A 39 -3.110 -5.490 6.068 1.00 0.00 C ATOM 604 CG ASN A 39 -2.688 -6.955 6.061 1.00 0.00 C ATOM 605 OD1 ASN A 39 -3.074 -7.723 6.942 1.00 0.00 O ATOM 606 ND2 ASN A 39 -1.891 -7.354 5.079 1.00 0.00 N ATOM 0 H ASN A 39 -1.125 -4.779 4.737 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.750 -5.589 4.031 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.390 -4.915 6.651 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.072 -5.400 6.572 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.579 -8.324 5.038 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.590 -6.691 4.365 1.00 0.00 H new ATOM 613 N CYS A 40 -3.300 -2.478 4.991 1.00 0.00 N ATOM 614 CA CYS A 40 -3.917 -1.158 5.037 1.00 0.00 C ATOM 615 C CYS A 40 -4.491 -0.781 3.671 1.00 0.00 C ATOM 616 O CYS A 40 -5.647 -0.374 3.573 1.00 0.00 O ATOM 617 CB CYS A 40 -2.901 -0.108 5.497 1.00 0.00 C ATOM 618 SG CYS A 40 -3.581 1.557 5.683 1.00 0.00 S ATOM 0 H CYS A 40 -2.298 -2.479 5.181 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.736 -1.189 5.756 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.477 -0.423 6.451 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.081 -0.075 4.780 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.709 2.318 6.274 1.00 0.00 H new ATOM 624 N VAL A 41 -3.682 -0.937 2.621 1.00 0.00 N ATOM 625 CA VAL A 41 -4.116 -0.633 1.254 1.00 0.00 C ATOM 626 C VAL A 41 -5.363 -1.440 0.893 1.00 0.00 C ATOM 627 O VAL A 41 -6.313 -0.914 0.311 1.00 0.00 O ATOM 628 CB VAL A 41 -2.988 -0.921 0.230 1.00 0.00 C ATOM 629 CG1 VAL A 41 -3.455 -0.680 -1.201 1.00 0.00 C ATOM 630 CG2 VAL A 41 -1.765 -0.068 0.532 1.00 0.00 C ATOM 0 H VAL A 41 -2.721 -1.273 2.690 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.356 0.430 1.213 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.720 -1.974 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.638 -0.892 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.297 -1.335 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.764 0.359 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.983 -0.283 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.034 0.987 0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.401 -0.296 1.534 1.00 0.00 H new ATOM 640 N THR A 42 -5.366 -2.711 1.276 1.00 0.00 N ATOM 641 CA THR A 42 -6.499 -3.591 1.016 1.00 0.00 C ATOM 642 C THR A 42 -7.732 -3.130 1.797 1.00 0.00 C ATOM 643 O THR A 42 -8.852 -3.145 1.285 1.00 0.00 O ATOM 644 CB THR A 42 -6.167 -5.049 1.405 1.00 0.00 C ATOM 645 OG1 THR A 42 -4.868 -5.404 0.918 1.00 0.00 O ATOM 646 CG2 THR A 42 -7.187 -6.015 0.825 1.00 0.00 C ATOM 0 H THR A 42 -4.593 -3.157 1.770 1.00 0.00 H new ATOM 0 HA THR A 42 -6.711 -3.547 -0.052 1.00 0.00 H new ATOM 0 HB THR A 42 -6.191 -5.116 2.493 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.183 -5.012 1.498 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.929 -7.034 1.114 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.178 -5.770 1.206 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.186 -5.935 -0.262 1.00 0.00 H new ATOM 654 N HIS A 43 -7.506 -2.694 3.027 1.00 0.00 N ATOM 655 CA HIS A 43 -8.592 -2.296 3.915 1.00 0.00 C ATOM 656 C HIS A 43 -9.170 -0.941 3.515 1.00 0.00 C ATOM 657 O HIS A 43 -10.321 -0.639 3.819 1.00 0.00 O ATOM 658 CB HIS A 43 -8.095 -2.266 5.361 1.00 0.00 C ATOM 659 CG HIS A 43 -9.174 -2.014 6.365 1.00 0.00 C ATOM 660 ND1 HIS A 43 -10.215 -2.890 6.583 1.00 0.00 N ATOM 661 CD2 HIS A 43 -9.368 -0.979 7.210 1.00 0.00 C ATOM 662 CE1 HIS A 43 -11.001 -2.404 7.524 1.00 0.00 C ATOM 663 NE2 HIS A 43 -10.511 -1.243 7.920 1.00 0.00 N ATOM 0 H HIS A 43 -6.576 -2.606 3.436 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.392 -3.031 3.829 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.614 -3.217 5.590 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.334 -1.492 5.458 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -10.355 -3.774 6.094 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.740 -0.106 7.308 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.894 -2.876 7.906 1.00 0.00 H new ATOM 672 N LEU A 44 -8.375 -0.131 2.831 1.00 0.00 N ATOM 673 CA LEU A 44 -8.860 1.144 2.314 1.00 0.00 C ATOM 674 C LEU A 44 -9.906 0.902 1.235 1.00 0.00 C ATOM 675 O LEU A 44 -10.858 1.668 1.087 1.00 0.00 O ATOM 676 CB LEU A 44 -7.707 1.975 1.753 1.00 0.00 C ATOM 677 CG LEU A 44 -6.674 2.430 2.783 1.00 0.00 C ATOM 678 CD1 LEU A 44 -5.530 3.157 2.097 1.00 0.00 C ATOM 679 CD2 LEU A 44 -7.326 3.324 3.830 1.00 0.00 C ATOM 0 H LEU A 44 -7.397 -0.330 2.621 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.314 1.700 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.199 1.391 0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.120 2.856 1.262 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.272 1.550 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.802 3.475 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.049 2.488 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.917 4.030 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.577 3.640 4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.753 4.201 3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.115 2.771 4.340 1.00 0.00 H new ATOM 691 N LEU A 45 -9.729 -0.187 0.499 1.00 0.00 N ATOM 692 CA LEU A 45 -10.689 -0.593 -0.514 1.00 0.00 C ATOM 693 C LEU A 45 -11.989 -1.043 0.143 1.00 0.00 C ATOM 694 O LEU A 45 -13.068 -0.922 -0.434 1.00 0.00 O ATOM 695 CB LEU A 45 -10.105 -1.721 -1.368 1.00 0.00 C ATOM 696 CG LEU A 45 -8.840 -1.355 -2.144 1.00 0.00 C ATOM 697 CD1 LEU A 45 -8.309 -2.561 -2.903 1.00 0.00 C ATOM 698 CD2 LEU A 45 -9.120 -0.206 -3.099 1.00 0.00 C ATOM 0 H LEU A 45 -8.924 -0.807 0.587 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.903 0.259 -1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.883 -2.569 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.865 -2.051 -2.076 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.079 -1.037 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.408 -2.280 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.072 -3.359 -2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.065 -2.910 -3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.210 0.044 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.897 -0.500 -3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.454 0.664 -2.534 1.00 0.00 H new ATOM 710 N GLU A 46 -11.874 -1.546 1.366 1.00 0.00 N ATOM 711 CA GLU A 46 -13.036 -1.983 2.133 1.00 0.00 C ATOM 712 C GLU A 46 -13.787 -0.793 2.729 1.00 0.00 C ATOM 713 O GLU A 46 -14.853 -0.962 3.324 1.00 0.00 O ATOM 714 CB GLU A 46 -12.616 -2.920 3.270 1.00 0.00 C ATOM 715 CG GLU A 46 -11.844 -4.148 2.821 1.00 0.00 C ATOM 716 CD GLU A 46 -11.526 -5.074 3.978 1.00 0.00 C ATOM 717 OE1 GLU A 46 -10.554 -4.805 4.716 1.00 0.00 O ATOM 718 OE2 GLU A 46 -12.259 -6.069 4.167 1.00 0.00 O ATOM 0 H GLU A 46 -10.984 -1.662 1.850 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.694 -2.513 1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.004 -2.361 3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.508 -3.243 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.425 -4.688 2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.917 -3.837 2.340 1.00 0.00 H new ATOM 725 N ARG A 47 -13.233 0.404 2.575 1.00 0.00 N ATOM 726 CA ARG A 47 -13.803 1.587 3.207 1.00 0.00 C ATOM 727 C ARG A 47 -14.878 2.219 2.327 1.00 0.00 C ATOM 728 O ARG A 47 -16.059 2.190 2.674 1.00 0.00 O ATOM 729 CB ARG A 47 -12.691 2.599 3.530 1.00 0.00 C ATOM 730 CG ARG A 47 -13.186 3.936 4.071 1.00 0.00 C ATOM 731 CD ARG A 47 -12.029 4.796 4.561 1.00 0.00 C ATOM 732 NE ARG A 47 -12.407 6.198 4.749 1.00 0.00 N ATOM 733 CZ ARG A 47 -11.971 6.969 5.749 1.00 0.00 C ATOM 734 NH1 ARG A 47 -11.276 6.450 6.753 1.00 0.00 N ATOM 735 NH2 ARG A 47 -12.268 8.260 5.768 1.00 0.00 N ATOM 0 H ARG A 47 -12.395 0.580 2.021 1.00 0.00 H new ATOM 0 HA ARG A 47 -14.280 1.284 4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.015 2.155 4.260 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.110 2.781 2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.732 4.467 3.291 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.886 3.763 4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.657 4.395 5.504 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.210 4.738 3.845 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.046 6.614 4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.069 5.451 6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.949 7.050 7.510 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.830 8.665 5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.935 8.849 6.532 1.00 0.00 H new ATOM 749 N LYS A 48 -14.485 2.771 1.183 1.00 0.00 N ATOM 750 CA LYS A 48 -15.441 3.459 0.321 1.00 0.00 C ATOM 751 C LYS A 48 -15.350 3.003 -1.132 1.00 0.00 C ATOM 752 O LYS A 48 -15.708 3.750 -2.042 1.00 0.00 O ATOM 753 CB LYS A 48 -15.241 4.976 0.399 1.00 0.00 C ATOM 754 CG LYS A 48 -15.489 5.569 1.778 1.00 0.00 C ATOM 755 CD LYS A 48 -16.944 5.434 2.202 1.00 0.00 C ATOM 756 CE LYS A 48 -17.866 6.269 1.328 1.00 0.00 C ATOM 757 NZ LYS A 48 -19.281 6.167 1.768 1.00 0.00 N ATOM 0 H LYS A 48 -13.526 2.757 0.835 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.435 3.200 0.687 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.222 5.213 0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -15.909 5.456 -0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.851 5.070 2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -15.208 6.622 1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.242 4.387 2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.050 5.743 3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.550 7.312 1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.782 5.940 0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -19.880 6.749 1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -19.590 5.175 1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -19.365 6.505 2.748 1.00 0.00 H new ATOM 771 N VAL A 49 -14.880 1.788 -1.358 1.00 0.00 N ATOM 772 CA VAL A 49 -14.754 1.277 -2.719 1.00 0.00 C ATOM 773 C VAL A 49 -15.693 0.091 -2.939 1.00 0.00 C ATOM 774 O VAL A 49 -15.710 -0.850 -2.142 1.00 0.00 O ATOM 775 CB VAL A 49 -13.300 0.850 -3.032 1.00 0.00 C ATOM 776 CG1 VAL A 49 -13.156 0.424 -4.486 1.00 0.00 C ATOM 777 CG2 VAL A 49 -12.326 1.975 -2.709 1.00 0.00 C ATOM 0 H VAL A 49 -14.582 1.141 -0.628 1.00 0.00 H new ATOM 0 HA VAL A 49 -15.030 2.086 -3.395 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.061 -0.006 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.124 0.129 -4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.818 -0.419 -4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.423 1.256 -5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.310 1.653 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.572 2.852 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.398 2.226 -1.651 1.00 0.00 H new ATOM 787 N PRO A 50 -16.514 0.139 -4.007 1.00 0.00 N ATOM 788 CA PRO A 50 -17.400 -0.971 -4.385 1.00 0.00 C ATOM 789 C PRO A 50 -16.624 -2.271 -4.622 1.00 0.00 C ATOM 790 O PRO A 50 -15.475 -2.243 -5.066 1.00 0.00 O ATOM 791 CB PRO A 50 -18.075 -0.488 -5.677 1.00 0.00 C ATOM 792 CG PRO A 50 -17.267 0.678 -6.142 1.00 0.00 C ATOM 793 CD PRO A 50 -16.660 1.287 -4.913 1.00 0.00 C ATOM 0 HA PRO A 50 -18.115 -1.207 -3.597 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -18.092 -1.277 -6.429 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -19.110 -0.199 -5.494 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -16.493 0.361 -6.841 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -17.893 1.401 -6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.699 1.755 -5.128 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -17.302 2.058 -4.486 1.00 0.00 H new ATOM 801 N SER A 51 -17.273 -3.397 -4.338 1.00 0.00 N ATOM 802 CA SER A 51 -16.621 -4.708 -4.309 1.00 0.00 C ATOM 803 C SER A 51 -15.860 -5.030 -5.600 1.00 0.00 C ATOM 804 O SER A 51 -14.700 -5.446 -5.555 1.00 0.00 O ATOM 805 CB SER A 51 -17.669 -5.787 -4.048 1.00 0.00 C ATOM 806 OG SER A 51 -18.512 -5.418 -2.969 1.00 0.00 O ATOM 0 H SER A 51 -18.269 -3.429 -4.120 1.00 0.00 H new ATOM 0 HA SER A 51 -15.884 -4.683 -3.507 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.267 -5.944 -4.946 1.00 0.00 H new ATOM 0 HB3 SER A 51 -17.176 -6.733 -3.824 1.00 0.00 H new ATOM 0 HG SER A 51 -19.178 -6.121 -2.819 1.00 0.00 H new ATOM 812 N GLU A 52 -16.501 -4.824 -6.743 1.00 0.00 N ATOM 813 CA GLU A 52 -15.899 -5.173 -8.023 1.00 0.00 C ATOM 814 C GLU A 52 -14.775 -4.202 -8.361 1.00 0.00 C ATOM 815 O GLU A 52 -13.758 -4.586 -8.939 1.00 0.00 O ATOM 816 CB GLU A 52 -16.944 -5.192 -9.152 1.00 0.00 C ATOM 817 CG GLU A 52 -17.584 -3.842 -9.457 1.00 0.00 C ATOM 818 CD GLU A 52 -18.677 -3.464 -8.479 1.00 0.00 C ATOM 819 OE1 GLU A 52 -18.360 -3.108 -7.329 1.00 0.00 O ATOM 820 OE2 GLU A 52 -19.863 -3.522 -8.862 1.00 0.00 O ATOM 0 H GLU A 52 -17.434 -4.418 -6.810 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.487 -6.178 -7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -16.470 -5.566 -10.059 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -17.730 -5.899 -8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -16.813 -3.071 -9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -17.999 -3.863 -10.465 1.00 0.00 H new ATOM 827 N SER A 53 -14.950 -2.948 -7.967 1.00 0.00 N ATOM 828 CA SER A 53 -13.966 -1.925 -8.260 1.00 0.00 C ATOM 829 C SER A 53 -12.727 -2.121 -7.394 1.00 0.00 C ATOM 830 O SER A 53 -11.627 -1.775 -7.803 1.00 0.00 O ATOM 831 CB SER A 53 -14.559 -0.529 -8.054 1.00 0.00 C ATOM 832 OG SER A 53 -13.716 0.472 -8.602 1.00 0.00 O ATOM 0 H SER A 53 -15.763 -2.619 -7.446 1.00 0.00 H new ATOM 0 HA SER A 53 -13.673 -2.015 -9.306 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.542 -0.476 -8.521 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.702 -0.345 -6.989 1.00 0.00 H new ATOM 0 HG SER A 53 -14.119 1.354 -8.458 1.00 0.00 H new ATOM 838 N ARG A 54 -12.906 -2.703 -6.205 1.00 0.00 N ATOM 839 CA ARG A 54 -11.781 -2.994 -5.312 1.00 0.00 C ATOM 840 C ARG A 54 -10.711 -3.799 -6.043 1.00 0.00 C ATOM 841 O ARG A 54 -9.521 -3.517 -5.933 1.00 0.00 O ATOM 842 CB ARG A 54 -12.250 -3.780 -4.082 1.00 0.00 C ATOM 843 CG ARG A 54 -13.245 -3.038 -3.209 1.00 0.00 C ATOM 844 CD ARG A 54 -13.736 -3.906 -2.061 1.00 0.00 C ATOM 845 NE ARG A 54 -14.795 -3.251 -1.296 1.00 0.00 N ATOM 846 CZ ARG A 54 -15.424 -3.801 -0.257 1.00 0.00 C ATOM 847 NH1 ARG A 54 -15.096 -5.015 0.162 1.00 0.00 N ATOM 848 NH2 ARG A 54 -16.382 -3.131 0.369 1.00 0.00 N ATOM 0 H ARG A 54 -13.817 -2.981 -5.839 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.360 -2.042 -4.988 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.702 -4.715 -4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.380 -4.042 -3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.780 -2.136 -2.811 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.094 -2.719 -3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.105 -4.853 -2.454 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.902 -4.139 -1.400 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.072 -2.310 -1.576 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.357 -5.536 -0.311 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.582 -5.429 0.958 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.638 -2.195 0.056 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.863 -3.552 1.164 1.00 0.00 H new ATOM 862 N GLN A 55 -11.157 -4.786 -6.810 1.00 0.00 N ATOM 863 CA GLN A 55 -10.253 -5.652 -7.553 1.00 0.00 C ATOM 864 C GLN A 55 -9.597 -4.895 -8.707 1.00 0.00 C ATOM 865 O GLN A 55 -8.439 -5.140 -9.041 1.00 0.00 O ATOM 866 CB GLN A 55 -11.012 -6.871 -8.078 1.00 0.00 C ATOM 867 CG GLN A 55 -11.631 -7.719 -6.977 1.00 0.00 C ATOM 868 CD GLN A 55 -12.494 -8.843 -7.515 1.00 0.00 C ATOM 869 OE1 GLN A 55 -12.017 -9.950 -7.761 1.00 0.00 O ATOM 870 NE2 GLN A 55 -13.776 -8.570 -7.697 1.00 0.00 N ATOM 0 H GLN A 55 -12.145 -5.007 -6.933 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.465 -5.988 -6.879 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.799 -6.536 -8.754 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.331 -7.489 -8.663 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.837 -8.140 -6.360 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.234 -7.082 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.135 -7.640 -7.482 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.405 -9.290 -8.053 1.00 0.00 H new ATOM 879 N ALA A 56 -10.331 -3.959 -9.300 1.00 0.00 N ATOM 880 CA ALA A 56 -9.809 -3.185 -10.419 1.00 0.00 C ATOM 881 C ALA A 56 -8.883 -2.074 -9.937 1.00 0.00 C ATOM 882 O ALA A 56 -7.917 -1.727 -10.612 1.00 0.00 O ATOM 883 CB ALA A 56 -10.938 -2.609 -11.253 1.00 0.00 C ATOM 0 H ALA A 56 -11.284 -3.719 -9.026 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.229 -3.862 -11.046 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.522 -2.036 -12.082 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.552 -3.420 -11.645 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.552 -1.956 -10.633 1.00 0.00 H new ATOM 889 N VAL A 57 -9.184 -1.510 -8.772 1.00 0.00 N ATOM 890 CA VAL A 57 -8.308 -0.523 -8.157 1.00 0.00 C ATOM 891 C VAL A 57 -7.000 -1.188 -7.753 1.00 0.00 C ATOM 892 O VAL A 57 -5.929 -0.604 -7.892 1.00 0.00 O ATOM 893 CB VAL A 57 -8.956 0.155 -6.928 1.00 0.00 C ATOM 894 CG1 VAL A 57 -7.980 1.114 -6.259 1.00 0.00 C ATOM 895 CG2 VAL A 57 -10.221 0.896 -7.332 1.00 0.00 C ATOM 0 H VAL A 57 -10.026 -1.720 -8.237 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.122 0.258 -8.894 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.218 -0.625 -6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.459 1.578 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.097 0.565 -5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.684 1.886 -6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.663 1.367 -6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.975 1.661 -8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.933 0.192 -7.763 1.00 0.00 H new ATOM 905 N ALA A 58 -7.096 -2.425 -7.273 1.00 0.00 N ATOM 906 CA ALA A 58 -5.914 -3.223 -6.980 1.00 0.00 C ATOM 907 C ALA A 58 -5.096 -3.427 -8.250 1.00 0.00 C ATOM 908 O ALA A 58 -3.865 -3.409 -8.220 1.00 0.00 O ATOM 909 CB ALA A 58 -6.308 -4.562 -6.374 1.00 0.00 C ATOM 0 H ALA A 58 -7.981 -2.894 -7.080 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.303 -2.690 -6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.411 -5.144 -6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.859 -4.395 -5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.937 -5.108 -7.077 1.00 0.00 H new ATOM 915 N GLU A 59 -5.795 -3.612 -9.369 1.00 0.00 N ATOM 916 CA GLU A 59 -5.148 -3.711 -10.668 1.00 0.00 C ATOM 917 C GLU A 59 -4.431 -2.406 -10.992 1.00 0.00 C ATOM 918 O GLU A 59 -3.239 -2.400 -11.292 1.00 0.00 O ATOM 919 CB GLU A 59 -6.168 -4.012 -11.769 1.00 0.00 C ATOM 920 CG GLU A 59 -5.524 -4.275 -13.121 1.00 0.00 C ATOM 921 CD GLU A 59 -6.447 -4.001 -14.289 1.00 0.00 C ATOM 922 OE1 GLU A 59 -7.565 -4.552 -14.317 1.00 0.00 O ATOM 923 OE2 GLU A 59 -6.047 -3.244 -15.200 1.00 0.00 O ATOM 0 H GLU A 59 -6.811 -3.696 -9.398 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.428 -4.529 -10.624 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.760 -4.880 -11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.856 -3.172 -11.858 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.633 -3.654 -13.218 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.195 -5.313 -13.163 1.00 0.00 H new ATOM 930 N GLN A 60 -5.171 -1.299 -10.922 1.00 0.00 N ATOM 931 CA GLN A 60 -4.619 0.022 -11.216 1.00 0.00 C ATOM 932 C GLN A 60 -3.419 0.308 -10.325 1.00 0.00 C ATOM 933 O GLN A 60 -2.397 0.822 -10.787 1.00 0.00 O ATOM 934 CB GLN A 60 -5.679 1.111 -11.018 1.00 0.00 C ATOM 935 CG GLN A 60 -6.912 0.945 -11.892 1.00 0.00 C ATOM 936 CD GLN A 60 -6.589 0.863 -13.371 1.00 0.00 C ATOM 937 OE1 GLN A 60 -5.597 1.421 -13.840 1.00 0.00 O ATOM 938 NE2 GLN A 60 -7.430 0.165 -14.117 1.00 0.00 N ATOM 0 H GLN A 60 -6.158 -1.292 -10.663 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.300 0.028 -12.258 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.987 1.117 -9.972 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.229 2.082 -11.224 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.443 0.042 -11.592 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.587 1.783 -11.720 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.241 -0.282 -13.689 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.268 0.074 -15.120 1.00 0.00 H new ATOM 947 N PHE A 61 -3.553 -0.047 -9.054 1.00 0.00 N ATOM 948 CA PHE A 61 -2.486 0.122 -8.081 1.00 0.00 C ATOM 949 C PHE A 61 -1.245 -0.651 -8.516 1.00 0.00 C ATOM 950 O PHE A 61 -0.128 -0.167 -8.376 1.00 0.00 O ATOM 951 CB PHE A 61 -2.954 -0.356 -6.702 1.00 0.00 C ATOM 952 CG PHE A 61 -1.982 -0.071 -5.591 1.00 0.00 C ATOM 953 CD1 PHE A 61 -1.938 1.182 -5.002 1.00 0.00 C ATOM 954 CD2 PHE A 61 -1.118 -1.055 -5.133 1.00 0.00 C ATOM 955 CE1 PHE A 61 -1.051 1.449 -3.978 1.00 0.00 C ATOM 956 CE2 PHE A 61 -0.229 -0.792 -4.109 1.00 0.00 C ATOM 957 CZ PHE A 61 -0.195 0.461 -3.530 1.00 0.00 C ATOM 0 H PHE A 61 -4.403 -0.459 -8.671 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.231 1.180 -8.019 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.906 0.120 -6.468 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.136 -1.430 -6.744 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.605 1.958 -5.347 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.141 -2.037 -5.582 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.026 2.430 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.439 -1.566 -3.761 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.499 0.668 -2.729 1.00 0.00 H new ATOM 967 N ALA A 62 -1.458 -1.846 -9.058 1.00 0.00 N ATOM 968 CA ALA A 62 -0.364 -2.688 -9.526 1.00 0.00 C ATOM 969 C ALA A 62 0.438 -1.999 -10.626 1.00 0.00 C ATOM 970 O ALA A 62 1.666 -1.929 -10.552 1.00 0.00 O ATOM 971 CB ALA A 62 -0.900 -4.025 -10.020 1.00 0.00 C ATOM 0 H ALA A 62 -2.384 -2.254 -9.184 1.00 0.00 H new ATOM 0 HA ALA A 62 0.306 -2.864 -8.685 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.072 -4.643 -10.366 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.417 -4.533 -9.206 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.596 -3.857 -10.842 1.00 0.00 H new ATOM 977 N LYS A 63 -0.255 -1.484 -11.641 1.00 0.00 N ATOM 978 CA LYS A 63 0.420 -0.799 -12.743 1.00 0.00 C ATOM 979 C LYS A 63 1.125 0.456 -12.241 1.00 0.00 C ATOM 980 O LYS A 63 2.270 0.722 -12.606 1.00 0.00 O ATOM 981 CB LYS A 63 -0.550 -0.426 -13.877 1.00 0.00 C ATOM 982 CG LYS A 63 -1.061 -1.611 -14.691 1.00 0.00 C ATOM 983 CD LYS A 63 -2.336 -2.193 -14.105 1.00 0.00 C ATOM 984 CE LYS A 63 -3.512 -1.236 -14.255 1.00 0.00 C ATOM 985 NZ LYS A 63 -4.176 -1.363 -15.579 1.00 0.00 N ATOM 0 H LYS A 63 -1.271 -1.527 -11.724 1.00 0.00 H new ATOM 0 HA LYS A 63 1.155 -1.496 -13.146 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.404 0.099 -13.449 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.051 0.272 -14.549 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.245 -1.294 -15.718 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.293 -2.384 -14.729 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.568 -3.135 -14.601 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.182 -2.418 -13.050 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.239 -1.430 -13.466 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.164 -0.212 -14.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.843 -0.576 -15.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.458 -1.337 -16.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.692 -2.265 -15.623 1.00 0.00 H new ATOM 999 N ALA A 64 0.441 1.217 -11.394 1.00 0.00 N ATOM 1000 CA ALA A 64 0.999 2.448 -10.849 1.00 0.00 C ATOM 1001 C ALA A 64 2.225 2.160 -9.989 1.00 0.00 C ATOM 1002 O ALA A 64 3.246 2.835 -10.103 1.00 0.00 O ATOM 1003 CB ALA A 64 -0.052 3.190 -10.039 1.00 0.00 C ATOM 0 H ALA A 64 -0.502 1.002 -11.070 1.00 0.00 H new ATOM 0 HA ALA A 64 1.311 3.077 -11.683 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.379 4.107 -9.638 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.898 3.436 -10.680 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.391 2.559 -9.217 1.00 0.00 H new ATOM 1009 N LEU A 65 2.111 1.147 -9.140 1.00 0.00 N ATOM 1010 CA LEU A 65 3.185 0.756 -8.236 1.00 0.00 C ATOM 1011 C LEU A 65 4.414 0.325 -9.030 1.00 0.00 C ATOM 1012 O LEU A 65 5.523 0.809 -8.794 1.00 0.00 O ATOM 1013 CB LEU A 65 2.705 -0.392 -7.340 1.00 0.00 C ATOM 1014 CG LEU A 65 3.486 -0.611 -6.042 1.00 0.00 C ATOM 1015 CD1 LEU A 65 3.244 0.540 -5.080 1.00 0.00 C ATOM 1016 CD2 LEU A 65 3.081 -1.929 -5.398 1.00 0.00 C ATOM 0 H LEU A 65 1.272 0.573 -9.059 1.00 0.00 H new ATOM 0 HA LEU A 65 3.458 1.609 -7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.661 -0.213 -7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.738 -1.315 -7.919 1.00 0.00 H new ATOM 0 HG LEU A 65 4.549 -0.650 -6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.806 0.371 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.572 1.473 -5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.181 0.603 -4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.644 -2.072 -4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.015 -1.911 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.293 -2.749 -6.084 1.00 0.00 H new ATOM 1028 N ALA A 66 4.201 -0.569 -9.991 1.00 0.00 N ATOM 1029 CA ALA A 66 5.286 -1.094 -10.812 1.00 0.00 C ATOM 1030 C ALA A 66 5.962 0.011 -11.618 1.00 0.00 C ATOM 1031 O ALA A 66 7.190 0.087 -11.667 1.00 0.00 O ATOM 1032 CB ALA A 66 4.771 -2.185 -11.739 1.00 0.00 C ATOM 0 H ALA A 66 3.282 -0.946 -10.221 1.00 0.00 H new ATOM 0 HA ALA A 66 6.032 -1.522 -10.142 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.593 -2.566 -12.345 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.350 -2.997 -11.146 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.000 -1.774 -12.391 1.00 0.00 H new ATOM 1038 N GLN A 67 5.157 0.867 -12.242 1.00 0.00 N ATOM 1039 CA GLN A 67 5.686 1.969 -13.038 1.00 0.00 C ATOM 1040 C GLN A 67 6.440 2.968 -12.170 1.00 0.00 C ATOM 1041 O GLN A 67 7.477 3.485 -12.577 1.00 0.00 O ATOM 1042 CB GLN A 67 4.565 2.679 -13.801 1.00 0.00 C ATOM 1043 CG GLN A 67 4.114 1.940 -15.051 1.00 0.00 C ATOM 1044 CD GLN A 67 5.214 1.840 -16.091 1.00 0.00 C ATOM 1045 OE1 GLN A 67 6.085 2.706 -16.178 1.00 0.00 O ATOM 1046 NE2 GLN A 67 5.183 0.786 -16.888 1.00 0.00 N ATOM 0 H GLN A 67 4.139 0.818 -12.212 1.00 0.00 H new ATOM 0 HA GLN A 67 6.386 1.544 -13.758 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.710 2.807 -13.137 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.903 3.676 -14.081 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.783 0.938 -14.778 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.255 2.453 -15.483 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.445 0.090 -16.785 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.897 0.669 -17.606 1.00 0.00 H new ATOM 1055 N SER A 68 5.928 3.226 -10.973 1.00 0.00 N ATOM 1056 CA SER A 68 6.568 4.161 -10.058 1.00 0.00 C ATOM 1057 C SER A 68 7.960 3.655 -9.678 1.00 0.00 C ATOM 1058 O SER A 68 8.935 4.412 -9.677 1.00 0.00 O ATOM 1059 CB SER A 68 5.700 4.348 -8.809 1.00 0.00 C ATOM 1060 OG SER A 68 6.197 5.383 -7.978 1.00 0.00 O ATOM 0 H SER A 68 5.073 2.801 -10.614 1.00 0.00 H new ATOM 0 HA SER A 68 6.676 5.127 -10.552 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.677 4.580 -9.107 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.665 3.415 -8.247 1.00 0.00 H new ATOM 0 HG SER A 68 5.540 5.586 -7.280 1.00 0.00 H new ATOM 1066 N VAL A 69 8.047 2.362 -9.390 1.00 0.00 N ATOM 1067 CA VAL A 69 9.316 1.735 -9.049 1.00 0.00 C ATOM 1068 C VAL A 69 10.255 1.713 -10.251 1.00 0.00 C ATOM 1069 O VAL A 69 11.418 2.108 -10.155 1.00 0.00 O ATOM 1070 CB VAL A 69 9.110 0.290 -8.541 1.00 0.00 C ATOM 1071 CG1 VAL A 69 10.445 -0.405 -8.329 1.00 0.00 C ATOM 1072 CG2 VAL A 69 8.298 0.284 -7.254 1.00 0.00 C ATOM 0 H VAL A 69 7.250 1.726 -9.386 1.00 0.00 H new ATOM 0 HA VAL A 69 9.763 2.331 -8.253 1.00 0.00 H new ATOM 0 HB VAL A 69 8.556 -0.259 -9.302 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.274 -1.420 -7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.991 -0.439 -9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.029 0.146 -7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.164 -0.743 -6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.824 0.855 -6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.323 0.736 -7.437 1.00 0.00 H new ATOM 1082 N LYS A 70 9.733 1.272 -11.389 1.00 0.00 N ATOM 1083 CA LYS A 70 10.538 1.117 -12.595 1.00 0.00 C ATOM 1084 C LYS A 70 11.015 2.471 -13.112 1.00 0.00 C ATOM 1085 O LYS A 70 12.078 2.571 -13.724 1.00 0.00 O ATOM 1086 CB LYS A 70 9.729 0.399 -13.679 1.00 0.00 C ATOM 1087 CG LYS A 70 10.580 -0.167 -14.805 1.00 0.00 C ATOM 1088 CD LYS A 70 9.722 -0.861 -15.849 1.00 0.00 C ATOM 1089 CE LYS A 70 10.558 -1.719 -16.786 1.00 0.00 C ATOM 1090 NZ LYS A 70 11.560 -0.924 -17.541 1.00 0.00 N ATOM 0 H LYS A 70 8.753 1.015 -11.502 1.00 0.00 H new ATOM 0 HA LYS A 70 11.414 0.518 -12.344 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.164 -0.412 -13.220 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.003 1.095 -14.099 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.148 0.637 -15.274 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.303 -0.873 -14.398 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.978 -1.484 -15.353 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.178 -0.114 -16.428 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.070 -2.489 -16.209 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.901 -2.231 -17.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.081 -1.548 -18.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.075 -0.183 -18.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.226 -0.483 -16.875 1.00 0.00 H new ATOM 1392 N SER B 8 3.562 -10.053 17.654 1.00 0.00 N ATOM 1393 CA SER B 8 2.252 -10.388 18.175 1.00 0.00 C ATOM 1394 C SER B 8 1.197 -9.989 17.153 1.00 0.00 C ATOM 1395 O SER B 8 1.409 -9.058 16.372 1.00 0.00 O ATOM 1396 CB SER B 8 2.005 -9.671 19.507 1.00 0.00 C ATOM 1397 OG SER B 8 0.683 -9.888 19.972 1.00 0.00 O ATOM 0 HA SER B 8 2.196 -11.461 18.356 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.717 -10.027 20.251 1.00 0.00 H new ATOM 0 HB3 SER B 8 2.179 -8.602 19.385 1.00 0.00 H new ATOM 0 HG SER B 8 0.555 -9.420 20.824 1.00 0.00 H new ATOM 1403 N ASN B 9 0.070 -10.690 17.145 1.00 0.00 N ATOM 1404 CA ASN B 9 -1.017 -10.358 16.232 1.00 0.00 C ATOM 1405 C ASN B 9 -1.528 -8.955 16.533 1.00 0.00 C ATOM 1406 O ASN B 9 -1.796 -8.165 15.626 1.00 0.00 O ATOM 1407 CB ASN B 9 -2.158 -11.369 16.356 1.00 0.00 C ATOM 1408 CG ASN B 9 -3.240 -11.152 15.313 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -2.967 -10.703 14.201 1.00 0.00 O ATOM 1410 ND2 ASN B 9 -4.475 -11.467 15.667 1.00 0.00 N ATOM 0 H ASN B 9 -0.115 -11.486 17.755 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.638 -10.395 15.211 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -1.758 -12.378 16.256 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -2.597 -11.297 17.351 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -5.243 -11.340 15.007 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -4.660 -11.837 16.599 1.00 0.00 H new ATOM 1417 N THR B 10 -1.618 -8.643 17.820 1.00 0.00 N ATOM 1418 CA THR B 10 -2.044 -7.328 18.268 1.00 0.00 C ATOM 1419 C THR B 10 -1.060 -6.254 17.805 1.00 0.00 C ATOM 1420 O THR B 10 -1.454 -5.137 17.483 1.00 0.00 O ATOM 1421 CB THR B 10 -2.165 -7.299 19.804 1.00 0.00 C ATOM 1422 OG1 THR B 10 -3.011 -8.373 20.235 1.00 0.00 O ATOM 1423 CG2 THR B 10 -2.734 -5.973 20.290 1.00 0.00 C ATOM 0 H THR B 10 -1.399 -9.291 18.576 1.00 0.00 H new ATOM 0 HA THR B 10 -3.020 -7.119 17.830 1.00 0.00 H new ATOM 0 HB THR B 10 -1.168 -7.415 20.229 1.00 0.00 H new ATOM 0 HG1 THR B 10 -3.088 -8.357 21.212 1.00 0.00 H new ATOM 0 HG21 THR B 10 -2.807 -5.985 21.378 1.00 0.00 H new ATOM 0 HG22 THR B 10 -2.078 -5.160 19.979 1.00 0.00 H new ATOM 0 HG23 THR B 10 -3.725 -5.824 19.862 1.00 0.00 H new ATOM 1431 N GLN B 11 0.218 -6.617 17.748 1.00 0.00 N ATOM 1432 CA GLN B 11 1.265 -5.691 17.324 1.00 0.00 C ATOM 1433 C GLN B 11 1.032 -5.239 15.886 1.00 0.00 C ATOM 1434 O GLN B 11 1.054 -4.046 15.591 1.00 0.00 O ATOM 1435 CB GLN B 11 2.638 -6.357 17.451 1.00 0.00 C ATOM 1436 CG GLN B 11 3.808 -5.450 17.094 1.00 0.00 C ATOM 1437 CD GLN B 11 5.144 -6.148 17.252 1.00 0.00 C ATOM 1438 OE1 GLN B 11 5.290 -7.061 18.065 1.00 0.00 O ATOM 1439 NE2 GLN B 11 6.131 -5.716 16.481 1.00 0.00 N ATOM 0 H GLN B 11 0.555 -7.549 17.991 1.00 0.00 H new ATOM 0 HA GLN B 11 1.234 -4.814 17.971 1.00 0.00 H new ATOM 0 HB2 GLN B 11 2.765 -6.709 18.475 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.664 -7.235 16.806 1.00 0.00 H new ATOM 0 HG2 GLN B 11 3.699 -5.107 16.065 1.00 0.00 H new ATOM 0 HG3 GLN B 11 3.786 -4.564 17.729 1.00 0.00 H new ATOM 0 HE21 GLN B 11 5.967 -4.956 15.820 1.00 0.00 H new ATOM 0 HE22 GLN B 11 7.055 -6.143 16.548 1.00 0.00 H new ATOM 1448 N VAL B 12 0.792 -6.198 15.002 1.00 0.00 N ATOM 1449 CA VAL B 12 0.566 -5.899 13.595 1.00 0.00 C ATOM 1450 C VAL B 12 -0.768 -5.185 13.400 1.00 0.00 C ATOM 1451 O VAL B 12 -0.843 -4.165 12.716 1.00 0.00 O ATOM 1452 CB VAL B 12 0.587 -7.181 12.732 1.00 0.00 C ATOM 1453 CG1 VAL B 12 0.449 -6.841 11.255 1.00 0.00 C ATOM 1454 CG2 VAL B 12 1.860 -7.975 12.983 1.00 0.00 C ATOM 0 H VAL B 12 0.749 -7.190 15.235 1.00 0.00 H new ATOM 0 HA VAL B 12 1.378 -5.247 13.273 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.264 -7.798 13.019 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.466 -7.759 10.667 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.494 -6.321 11.088 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.276 -6.199 10.951 1.00 0.00 H new ATOM 0 HG21 VAL B 12 1.856 -8.874 12.366 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.726 -7.364 12.728 1.00 0.00 H new ATOM 0 HG23 VAL B 12 1.912 -8.257 14.035 1.00 0.00 H new ATOM 1464 N GLU B 13 -1.809 -5.715 14.031 1.00 0.00 N ATOM 1465 CA GLU B 13 -3.154 -5.173 13.890 1.00 0.00 C ATOM 1466 C GLU B 13 -3.220 -3.737 14.415 1.00 0.00 C ATOM 1467 O GLU B 13 -3.759 -2.850 13.752 1.00 0.00 O ATOM 1468 CB GLU B 13 -4.151 -6.081 14.624 1.00 0.00 C ATOM 1469 CG GLU B 13 -5.611 -5.811 14.294 1.00 0.00 C ATOM 1470 CD GLU B 13 -6.288 -4.900 15.294 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -6.651 -5.382 16.386 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -6.477 -3.705 14.993 1.00 0.00 O ATOM 0 H GLU B 13 -1.746 -6.524 14.649 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.420 -5.144 12.833 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.923 -7.119 14.383 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -4.007 -5.964 15.698 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.676 -5.364 13.302 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -6.149 -6.758 14.252 1.00 0.00 H new ATOM 1479 N SER B 14 -2.641 -3.502 15.587 1.00 0.00 N ATOM 1480 CA SER B 14 -2.634 -2.169 16.173 1.00 0.00 C ATOM 1481 C SER B 14 -1.751 -1.223 15.363 1.00 0.00 C ATOM 1482 O SER B 14 -2.003 -0.019 15.321 1.00 0.00 O ATOM 1483 CB SER B 14 -2.160 -2.212 17.628 1.00 0.00 C ATOM 1484 OG SER B 14 -2.196 -0.921 18.218 1.00 0.00 O ATOM 0 H SER B 14 -2.173 -4.214 16.147 1.00 0.00 H new ATOM 0 HA SER B 14 -3.657 -1.794 16.153 1.00 0.00 H new ATOM 0 HB2 SER B 14 -2.791 -2.893 18.199 1.00 0.00 H new ATOM 0 HB3 SER B 14 -1.145 -2.606 17.671 1.00 0.00 H new ATOM 0 HG SER B 14 -1.890 -0.977 19.147 1.00 0.00 H new ATOM 1490 N LEU B 15 -0.718 -1.767 14.725 1.00 0.00 N ATOM 1491 CA LEU B 15 0.146 -0.968 13.867 1.00 0.00 C ATOM 1492 C LEU B 15 -0.659 -0.419 12.700 1.00 0.00 C ATOM 1493 O LEU B 15 -0.642 0.780 12.435 1.00 0.00 O ATOM 1494 CB LEU B 15 1.327 -1.802 13.355 1.00 0.00 C ATOM 1495 CG LEU B 15 2.325 -1.049 12.470 1.00 0.00 C ATOM 1496 CD1 LEU B 15 2.951 0.107 13.234 1.00 0.00 C ATOM 1497 CD2 LEU B 15 3.402 -1.996 11.961 1.00 0.00 C ATOM 0 H LEU B 15 -0.461 -2.752 14.786 1.00 0.00 H new ATOM 0 HA LEU B 15 0.547 -0.138 14.449 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.862 -2.209 14.213 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.935 -2.650 12.793 1.00 0.00 H new ATOM 0 HG LEU B 15 1.787 -0.643 11.613 1.00 0.00 H new ATOM 0 HD11 LEU B 15 3.657 0.630 12.589 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.170 0.798 13.552 1.00 0.00 H new ATOM 0 HD13 LEU B 15 3.475 -0.277 14.109 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.103 -1.446 11.334 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.935 -2.429 12.807 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.940 -2.792 11.377 1.00 0.00 H new ATOM 1509 N ILE B 16 -1.388 -1.308 12.028 1.00 0.00 N ATOM 1510 CA ILE B 16 -2.254 -0.917 10.921 1.00 0.00 C ATOM 1511 C ILE B 16 -3.284 0.104 11.393 1.00 0.00 C ATOM 1512 O ILE B 16 -3.539 1.106 10.722 1.00 0.00 O ATOM 1513 CB ILE B 16 -2.990 -2.137 10.324 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -1.984 -3.214 9.908 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -3.844 -1.716 9.132 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -2.629 -4.511 9.469 1.00 0.00 C ATOM 0 H ILE B 16 -1.395 -2.307 12.233 1.00 0.00 H new ATOM 0 HA ILE B 16 -1.622 -0.477 10.149 1.00 0.00 H new ATOM 0 HB ILE B 16 -3.647 -2.552 11.088 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -1.370 -2.830 9.094 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -1.315 -3.416 10.744 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -4.355 -2.588 8.724 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -4.582 -0.981 9.454 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -3.206 -1.277 8.364 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.855 -5.226 9.189 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -3.221 -4.919 10.289 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -3.276 -4.324 8.612 1.00 0.00 H new ATOM 1528 N ALA B 17 -3.857 -0.153 12.565 1.00 0.00 N ATOM 1529 CA ALA B 17 -4.849 0.738 13.151 1.00 0.00 C ATOM 1530 C ALA B 17 -4.279 2.137 13.377 1.00 0.00 C ATOM 1531 O ALA B 17 -4.948 3.132 13.103 1.00 0.00 O ATOM 1532 CB ALA B 17 -5.368 0.159 14.459 1.00 0.00 C ATOM 0 H ALA B 17 -3.649 -0.977 13.129 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.677 0.827 12.448 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -6.109 0.834 14.887 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.827 -0.811 14.270 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -4.540 0.039 15.158 1.00 0.00 H new ATOM 1538 N GLU B 18 -3.041 2.211 13.860 1.00 0.00 N ATOM 1539 CA GLU B 18 -2.404 3.497 14.126 1.00 0.00 C ATOM 1540 C GLU B 18 -2.198 4.272 12.829 1.00 0.00 C ATOM 1541 O GLU B 18 -2.393 5.488 12.783 1.00 0.00 O ATOM 1542 CB GLU B 18 -1.067 3.308 14.846 1.00 0.00 C ATOM 1543 CG GLU B 18 -0.347 4.619 15.125 1.00 0.00 C ATOM 1544 CD GLU B 18 0.959 4.434 15.866 1.00 0.00 C ATOM 1545 OE1 GLU B 18 1.540 3.335 15.799 1.00 0.00 O ATOM 1546 OE2 GLU B 18 1.421 5.397 16.516 1.00 0.00 O ATOM 0 H GLU B 18 -2.462 1.399 14.074 1.00 0.00 H new ATOM 0 HA GLU B 18 -3.065 4.070 14.776 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -1.239 2.788 15.788 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.423 2.669 14.242 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -0.153 5.128 14.181 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -1.000 5.268 15.709 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.819 3.561 11.776 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.643 4.172 10.467 1.00 0.00 C ATOM 1555 C ILE B 19 -2.971 4.761 9.986 1.00 0.00 C ATOM 1556 O ILE B 19 -3.014 5.858 9.425 1.00 0.00 O ATOM 1557 CB ILE B 19 -1.120 3.150 9.432 1.00 0.00 C ATOM 1558 CG1 ILE B 19 0.067 2.371 10.003 1.00 0.00 C ATOM 1559 CG2 ILE B 19 -0.701 3.861 8.156 1.00 0.00 C ATOM 1560 CD1 ILE B 19 0.548 1.246 9.111 1.00 0.00 C ATOM 0 H ILE B 19 -1.627 2.560 11.803 1.00 0.00 H new ATOM 0 HA ILE B 19 -0.902 4.965 10.563 1.00 0.00 H new ATOM 0 HB ILE B 19 -1.924 2.451 9.203 1.00 0.00 H new ATOM 0 HG12 ILE B 19 0.892 3.061 10.177 1.00 0.00 H new ATOM 0 HG13 ILE B 19 -0.214 1.959 10.972 1.00 0.00 H new ATOM 0 HG21 ILE B 19 -0.335 3.130 7.436 1.00 0.00 H new ATOM 0 HG22 ILE B 19 -1.557 4.388 7.735 1.00 0.00 H new ATOM 0 HG23 ILE B 19 0.090 4.576 8.381 1.00 0.00 H new ATOM 0 HD11 ILE B 19 1.391 0.742 9.584 1.00 0.00 H new ATOM 0 HD12 ILE B 19 -0.262 0.533 8.956 1.00 0.00 H new ATOM 0 HD13 ILE B 19 0.862 1.653 8.150 1.00 0.00 H new ATOM 1572 N LEU B 20 -4.055 4.028 10.239 1.00 0.00 N ATOM 1573 CA LEU B 20 -5.400 4.491 9.909 1.00 0.00 C ATOM 1574 C LEU B 20 -5.766 5.720 10.737 1.00 0.00 C ATOM 1575 O LEU B 20 -6.469 6.613 10.265 1.00 0.00 O ATOM 1576 CB LEU B 20 -6.426 3.378 10.150 1.00 0.00 C ATOM 1577 CG LEU B 20 -6.279 2.143 9.257 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -7.288 1.076 9.653 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -6.454 2.522 7.793 1.00 0.00 C ATOM 0 H LEU B 20 -4.026 3.106 10.674 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.414 4.762 8.853 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -6.357 3.063 11.191 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -7.425 3.791 10.008 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.277 1.737 9.392 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -7.169 0.206 9.008 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -7.121 0.785 10.690 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -8.298 1.472 9.545 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -6.347 1.633 7.172 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -7.445 2.951 7.644 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.696 3.254 7.513 1.00 0.00 H new ATOM 1591 N VAL B 21 -5.289 5.760 11.978 1.00 0.00 N ATOM 1592 CA VAL B 21 -5.505 6.914 12.841 1.00 0.00 C ATOM 1593 C VAL B 21 -4.840 8.150 12.245 1.00 0.00 C ATOM 1594 O VAL B 21 -5.450 9.214 12.174 1.00 0.00 O ATOM 1595 CB VAL B 21 -4.959 6.678 14.269 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -5.083 7.937 15.115 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -5.685 5.522 14.936 1.00 0.00 C ATOM 0 H VAL B 21 -4.751 5.007 12.407 1.00 0.00 H new ATOM 0 HA VAL B 21 -6.582 7.068 12.910 1.00 0.00 H new ATOM 0 HB VAL B 21 -3.902 6.424 14.186 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -4.692 7.744 16.114 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -4.514 8.744 14.652 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -6.132 8.226 15.185 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -5.286 5.372 15.939 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -6.749 5.748 14.999 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -5.541 4.615 14.349 1.00 0.00 H new ATOM 1607 N VAL B 22 -3.599 7.991 11.798 1.00 0.00 N ATOM 1608 CA VAL B 22 -2.857 9.083 11.177 1.00 0.00 C ATOM 1609 C VAL B 22 -3.577 9.594 9.932 1.00 0.00 C ATOM 1610 O VAL B 22 -3.710 10.804 9.733 1.00 0.00 O ATOM 1611 CB VAL B 22 -1.424 8.646 10.815 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -0.690 9.743 10.058 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -0.665 8.269 12.076 1.00 0.00 C ATOM 0 H VAL B 22 -3.084 7.113 11.854 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.798 9.893 11.903 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.484 7.775 10.162 1.00 0.00 H new ATOM 0 HG11 VAL B 22 0.318 9.406 9.816 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.227 9.972 9.137 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -0.635 10.638 10.678 1.00 0.00 H new ATOM 0 HG21 VAL B 22 0.347 7.961 11.813 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -0.621 9.129 12.745 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.176 7.446 12.576 1.00 0.00 H new ATOM 1623 N LEU B 23 -4.033 8.667 9.095 1.00 0.00 N ATOM 1624 CA LEU B 23 -4.879 9.009 7.951 1.00 0.00 C ATOM 1625 C LEU B 23 -6.054 9.901 8.363 1.00 0.00 C ATOM 1626 O LEU B 23 -6.370 10.876 7.681 1.00 0.00 O ATOM 1627 CB LEU B 23 -5.403 7.738 7.282 1.00 0.00 C ATOM 1628 CG LEU B 23 -4.342 6.897 6.576 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -4.942 5.590 6.083 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -3.733 7.678 5.420 1.00 0.00 C ATOM 0 H LEU B 23 -3.832 7.671 9.186 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.265 9.566 7.243 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -5.890 7.122 8.038 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -6.167 8.016 6.556 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.551 6.663 7.289 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -4.173 5.002 5.582 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -5.334 5.027 6.930 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -5.750 5.802 5.383 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -2.978 7.067 4.926 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -4.514 7.939 4.706 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -3.270 8.589 5.800 1.00 0.00 H new ATOM 1642 N GLU B 24 -6.685 9.579 9.487 1.00 0.00 N ATOM 1643 CA GLU B 24 -7.831 10.347 9.967 1.00 0.00 C ATOM 1644 C GLU B 24 -7.408 11.592 10.748 1.00 0.00 C ATOM 1645 O GLU B 24 -8.223 12.485 10.975 1.00 0.00 O ATOM 1646 CB GLU B 24 -8.749 9.476 10.823 1.00 0.00 C ATOM 1647 CG GLU B 24 -9.733 8.648 10.012 1.00 0.00 C ATOM 1648 CD GLU B 24 -10.697 9.508 9.213 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -11.157 10.546 9.745 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -11.014 9.139 8.063 1.00 0.00 O ATOM 0 H GLU B 24 -6.424 8.793 10.083 1.00 0.00 H new ATOM 0 HA GLU B 24 -8.378 10.682 9.085 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -8.139 8.808 11.431 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -9.304 10.114 11.511 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -9.182 7.998 9.332 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -10.299 8.002 10.683 1.00 0.00 H new ATOM 1657 N LYS B 25 -6.144 11.655 11.156 1.00 0.00 N ATOM 1658 CA LYS B 25 -5.614 12.843 11.824 1.00 0.00 C ATOM 1659 C LYS B 25 -5.659 14.037 10.882 1.00 0.00 C ATOM 1660 O LYS B 25 -5.892 15.171 11.300 1.00 0.00 O ATOM 1661 CB LYS B 25 -4.180 12.611 12.310 1.00 0.00 C ATOM 1662 CG LYS B 25 -4.070 11.683 13.513 1.00 0.00 C ATOM 1663 CD LYS B 25 -4.728 12.281 14.751 1.00 0.00 C ATOM 1664 CE LYS B 25 -4.087 13.606 15.135 1.00 0.00 C ATOM 1665 NZ LYS B 25 -4.732 14.217 16.326 1.00 0.00 N ATOM 0 H LYS B 25 -5.468 10.901 11.037 1.00 0.00 H new ATOM 0 HA LYS B 25 -6.238 13.048 12.694 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -3.593 12.196 11.490 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -3.735 13.573 12.565 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -4.538 10.727 13.279 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -3.019 11.481 13.721 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -5.791 12.430 14.564 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -4.646 11.581 15.582 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -3.027 13.450 15.338 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -4.152 14.297 14.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -4.263 15.118 16.551 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -5.738 14.391 16.125 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -4.648 13.571 17.136 1.00 0.00 H new ATOM 1679 N HIS B 26 -5.423 13.770 9.605 1.00 0.00 N ATOM 1680 CA HIS B 26 -5.569 14.787 8.573 1.00 0.00 C ATOM 1681 C HIS B 26 -6.919 14.626 7.891 1.00 0.00 C ATOM 1682 O HIS B 26 -7.398 15.533 7.211 1.00 0.00 O ATOM 1683 CB HIS B 26 -4.448 14.679 7.533 1.00 0.00 C ATOM 1684 CG HIS B 26 -3.094 15.056 8.050 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -2.507 16.277 7.806 1.00 0.00 N ATOM 1686 CD2 HIS B 26 -2.200 14.357 8.789 1.00 0.00 C ATOM 1687 CE1 HIS B 26 -1.314 16.312 8.368 1.00 0.00 C ATOM 1688 NE2 HIS B 26 -1.101 15.159 8.975 1.00 0.00 N ATOM 0 H HIS B 26 -5.129 12.857 9.259 1.00 0.00 H new ATOM 0 HA HIS B 26 -5.506 15.769 9.042 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -4.410 13.655 7.160 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -4.692 15.318 6.684 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -2.328 13.352 9.164 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -0.627 17.144 8.337 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -0.261 14.906 9.495 1.00 0.00 H new ATOM 1697 N LYS B 27 -7.518 13.459 8.110 1.00 0.00 N ATOM 1698 CA LYS B 27 -8.785 13.074 7.498 1.00 0.00 C ATOM 1699 C LYS B 27 -8.678 13.095 5.977 1.00 0.00 C ATOM 1700 O LYS B 27 -9.116 14.032 5.309 1.00 0.00 O ATOM 1701 CB LYS B 27 -9.937 13.954 7.991 1.00 0.00 C ATOM 1702 CG LYS B 27 -11.297 13.546 7.442 1.00 0.00 C ATOM 1703 CD LYS B 27 -12.432 14.242 8.177 1.00 0.00 C ATOM 1704 CE LYS B 27 -12.931 13.426 9.364 1.00 0.00 C ATOM 1705 NZ LYS B 27 -11.849 13.068 10.320 1.00 0.00 N ATOM 0 H LYS B 27 -7.131 12.744 8.726 1.00 0.00 H new ATOM 0 HA LYS B 27 -9.008 12.052 7.805 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -9.969 13.919 9.080 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -9.738 14.988 7.711 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -11.348 13.788 6.380 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -11.415 12.466 7.529 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -12.094 15.218 8.525 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -13.257 14.418 7.486 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -13.700 13.992 9.890 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -13.402 12.513 8.998 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -12.269 12.777 11.226 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -11.287 12.284 9.931 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -11.234 13.892 10.472 1.00 0.00 H new ATOM 1719 N ALA B 28 -8.050 12.062 5.445 1.00 0.00 N ATOM 1720 CA ALA B 28 -7.903 11.914 4.011 1.00 0.00 C ATOM 1721 C ALA B 28 -8.920 10.916 3.474 1.00 0.00 C ATOM 1722 O ALA B 28 -8.992 9.783 3.948 1.00 0.00 O ATOM 1723 CB ALA B 28 -6.491 11.463 3.670 1.00 0.00 C ATOM 0 H ALA B 28 -7.631 11.309 5.991 1.00 0.00 H new ATOM 0 HA ALA B 28 -8.084 12.881 3.541 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.394 11.356 2.590 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -5.776 12.205 4.026 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -6.289 10.505 4.149 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.733 11.329 2.490 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.702 10.440 1.846 1.00 0.00 C ATOM 1731 C PRO B 29 -10.005 9.304 1.103 1.00 0.00 C ATOM 1732 O PRO B 29 -8.788 9.343 0.914 1.00 0.00 O ATOM 1733 CB PRO B 29 -11.443 11.354 0.866 1.00 0.00 C ATOM 1734 CG PRO B 29 -10.527 12.508 0.646 1.00 0.00 C ATOM 1735 CD PRO B 29 -9.776 12.689 1.934 1.00 0.00 C ATOM 0 HA PRO B 29 -11.366 9.959 2.565 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -11.658 10.837 -0.069 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.398 11.681 1.277 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.844 12.312 -0.180 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -11.087 13.408 0.390 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -8.775 13.087 1.765 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.285 13.382 2.603 1.00 0.00 H new ATOM 1743 N THR B 30 -10.776 8.316 0.667 1.00 0.00 N ATOM 1744 CA THR B 30 -10.225 7.114 0.047 1.00 0.00 C ATOM 1745 C THR B 30 -9.241 7.444 -1.081 1.00 0.00 C ATOM 1746 O THR B 30 -8.155 6.870 -1.145 1.00 0.00 O ATOM 1747 CB THR B 30 -11.352 6.217 -0.494 1.00 0.00 C ATOM 1748 OG1 THR B 30 -12.342 6.031 0.525 1.00 0.00 O ATOM 1749 CG2 THR B 30 -10.813 4.863 -0.932 1.00 0.00 C ATOM 0 H THR B 30 -11.794 8.323 0.732 1.00 0.00 H new ATOM 0 HA THR B 30 -9.677 6.581 0.824 1.00 0.00 H new ATOM 0 HB THR B 30 -11.795 6.706 -1.362 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.211 5.159 0.953 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.632 4.250 -1.310 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.072 5.004 -1.719 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.349 4.364 -0.082 1.00 0.00 H new ATOM 1757 N ASP B 31 -9.611 8.388 -1.946 1.00 0.00 N ATOM 1758 CA ASP B 31 -8.743 8.797 -3.054 1.00 0.00 C ATOM 1759 C ASP B 31 -7.398 9.298 -2.537 1.00 0.00 C ATOM 1760 O ASP B 31 -6.345 8.805 -2.939 1.00 0.00 O ATOM 1761 CB ASP B 31 -9.398 9.896 -3.902 1.00 0.00 C ATOM 1762 CG ASP B 31 -10.572 9.397 -4.723 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -10.352 8.892 -5.845 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -11.723 9.533 -4.263 1.00 0.00 O ATOM 0 H ASP B 31 -10.502 8.883 -1.903 1.00 0.00 H new ATOM 0 HA ASP B 31 -8.585 7.917 -3.678 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -9.736 10.699 -3.247 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.651 10.324 -4.571 1.00 0.00 H new ATOM 1769 N LEU B 32 -7.447 10.261 -1.622 1.00 0.00 N ATOM 1770 CA LEU B 32 -6.237 10.890 -1.095 1.00 0.00 C ATOM 1771 C LEU B 32 -5.444 9.898 -0.248 1.00 0.00 C ATOM 1772 O LEU B 32 -4.214 9.939 -0.211 1.00 0.00 O ATOM 1773 CB LEU B 32 -6.608 12.127 -0.266 1.00 0.00 C ATOM 1774 CG LEU B 32 -5.432 13.000 0.193 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -4.637 13.500 -1.003 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -5.938 14.172 1.022 1.00 0.00 C ATOM 0 H LEU B 32 -8.314 10.625 -1.228 1.00 0.00 H new ATOM 0 HA LEU B 32 -5.611 11.202 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -7.287 12.745 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -7.158 11.799 0.616 1.00 0.00 H new ATOM 0 HG LEU B 32 -4.772 12.393 0.813 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.808 14.117 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -4.247 12.649 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -5.285 14.093 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -5.094 14.783 1.341 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -6.617 14.777 0.421 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -6.466 13.797 1.899 1.00 0.00 H new ATOM 1788 N SER B 33 -6.159 9.001 0.418 1.00 0.00 N ATOM 1789 CA SER B 33 -5.535 7.972 1.232 1.00 0.00 C ATOM 1790 C SER B 33 -4.728 7.021 0.350 1.00 0.00 C ATOM 1791 O SER B 33 -3.573 6.716 0.648 1.00 0.00 O ATOM 1792 CB SER B 33 -6.603 7.208 2.020 1.00 0.00 C ATOM 1793 OG SER B 33 -6.020 6.329 2.962 1.00 0.00 O ATOM 0 H SER B 33 -7.178 8.967 0.409 1.00 0.00 H new ATOM 0 HA SER B 33 -4.854 8.442 1.941 1.00 0.00 H new ATOM 0 HB2 SER B 33 -7.253 7.916 2.534 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.230 6.642 1.331 1.00 0.00 H new ATOM 0 HG SER B 33 -5.098 6.608 3.143 1.00 0.00 H new ATOM 1799 N LEU B 34 -5.330 6.577 -0.752 1.00 0.00 N ATOM 1800 CA LEU B 34 -4.651 5.694 -1.697 1.00 0.00 C ATOM 1801 C LEU B 34 -3.428 6.385 -2.295 1.00 0.00 C ATOM 1802 O LEU B 34 -2.401 5.749 -2.537 1.00 0.00 O ATOM 1803 CB LEU B 34 -5.604 5.260 -2.815 1.00 0.00 C ATOM 1804 CG LEU B 34 -6.788 4.399 -2.370 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -7.706 4.109 -3.548 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -6.301 3.100 -1.745 1.00 0.00 C ATOM 0 H LEU B 34 -6.287 6.815 -1.012 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.324 4.808 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.990 6.153 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.034 4.706 -3.561 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.351 4.952 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.543 3.496 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -8.083 5.047 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.150 3.576 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -7.158 2.502 -1.435 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.714 2.543 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.682 3.324 -0.876 1.00 0.00 H new ATOM 1818 N MET B 35 -3.548 7.688 -2.518 1.00 0.00 N ATOM 1819 CA MET B 35 -2.440 8.489 -3.033 1.00 0.00 C ATOM 1820 C MET B 35 -1.263 8.467 -2.062 1.00 0.00 C ATOM 1821 O MET B 35 -0.110 8.296 -2.469 1.00 0.00 O ATOM 1822 CB MET B 35 -2.895 9.932 -3.271 1.00 0.00 C ATOM 1823 CG MET B 35 -3.944 10.071 -4.362 1.00 0.00 C ATOM 1824 SD MET B 35 -4.670 11.723 -4.433 1.00 0.00 S ATOM 1825 CE MET B 35 -3.228 12.719 -4.802 1.00 0.00 C ATOM 0 H MET B 35 -4.404 8.216 -2.350 1.00 0.00 H new ATOM 0 HA MET B 35 -2.117 8.058 -3.980 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.296 10.335 -2.341 1.00 0.00 H new ATOM 0 HB3 MET B 35 -2.028 10.538 -3.534 1.00 0.00 H new ATOM 0 HG2 MET B 35 -3.492 9.837 -5.326 1.00 0.00 H new ATOM 0 HG3 MET B 35 -4.734 9.339 -4.194 1.00 0.00 H new ATOM 0 HE1 MET B 35 -3.543 13.718 -5.103 1.00 0.00 H new ATOM 0 HE2 MET B 35 -2.597 12.789 -3.916 1.00 0.00 H new ATOM 0 HE3 MET B 35 -2.664 12.257 -5.613 1.00 0.00 H new ATOM 1835 N ALA B 36 -1.561 8.630 -0.778 1.00 0.00 N ATOM 1836 CA ALA B 36 -0.534 8.613 0.256 1.00 0.00 C ATOM 1837 C ALA B 36 0.041 7.210 0.423 1.00 0.00 C ATOM 1838 O ALA B 36 1.248 7.002 0.271 1.00 0.00 O ATOM 1839 CB ALA B 36 -1.101 9.119 1.575 1.00 0.00 C ATOM 0 H ALA B 36 -2.508 8.776 -0.428 1.00 0.00 H new ATOM 0 HA ALA B 36 0.274 9.277 -0.051 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.322 9.100 2.337 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.460 10.140 1.449 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.927 8.479 1.885 1.00 0.00 H new ATOM 1845 N LEU B 37 -0.834 6.253 0.725 1.00 0.00 N ATOM 1846 CA LEU B 37 -0.445 4.852 0.909 1.00 0.00 C ATOM 1847 C LEU B 37 0.365 4.320 -0.271 1.00 0.00 C ATOM 1848 O LEU B 37 1.372 3.638 -0.078 1.00 0.00 O ATOM 1849 CB LEU B 37 -1.686 3.975 1.119 1.00 0.00 C ATOM 1850 CG LEU B 37 -2.177 3.842 2.567 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -1.158 3.095 3.408 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -2.465 5.204 3.181 1.00 0.00 C ATOM 0 H LEU B 37 -1.832 6.424 0.849 1.00 0.00 H new ATOM 0 HA LEU B 37 0.188 4.810 1.795 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.499 4.380 0.516 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.471 2.977 0.736 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.107 3.274 2.551 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -1.523 3.010 4.432 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -1.005 2.099 2.994 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.214 3.639 3.404 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.811 5.075 4.207 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.555 5.804 3.178 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.236 5.710 2.599 1.00 0.00 H new ATOM 1864 N GLY B 38 -0.073 4.638 -1.488 1.00 0.00 N ATOM 1865 CA GLY B 38 0.618 4.169 -2.679 1.00 0.00 C ATOM 1866 C GLY B 38 2.073 4.590 -2.709 1.00 0.00 C ATOM 1867 O GLY B 38 2.959 3.777 -2.981 1.00 0.00 O ATOM 0 H GLY B 38 -0.895 5.213 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY B 38 0.557 3.082 -2.726 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.113 4.556 -3.564 1.00 0.00 H new ATOM 1871 N ASN B 39 2.324 5.855 -2.409 1.00 0.00 N ATOM 1872 CA ASN B 39 3.685 6.374 -2.391 1.00 0.00 C ATOM 1873 C ASN B 39 4.472 5.786 -1.228 1.00 0.00 C ATOM 1874 O ASN B 39 5.673 5.556 -1.341 1.00 0.00 O ATOM 1875 CB ASN B 39 3.690 7.901 -2.313 1.00 0.00 C ATOM 1876 CG ASN B 39 3.451 8.555 -3.660 1.00 0.00 C ATOM 1877 OD1 ASN B 39 4.393 8.824 -4.405 1.00 0.00 O ATOM 1878 ND2 ASN B 39 2.193 8.825 -3.982 1.00 0.00 N ATOM 0 H ASN B 39 1.606 6.541 -2.175 1.00 0.00 H new ATOM 0 HA ASN B 39 4.166 6.077 -3.323 1.00 0.00 H new ATOM 0 HB2 ASN B 39 2.921 8.228 -1.613 1.00 0.00 H new ATOM 0 HB3 ASN B 39 4.647 8.238 -1.915 1.00 0.00 H new ATOM 0 HD21 ASN B 39 1.979 9.271 -4.874 1.00 0.00 H new ATOM 0 HD22 ASN B 39 1.439 8.587 -3.338 1.00 0.00 H new ATOM 1885 N CYS B 40 3.787 5.532 -0.118 1.00 0.00 N ATOM 1886 CA CYS B 40 4.421 4.928 1.048 1.00 0.00 C ATOM 1887 C CYS B 40 4.960 3.543 0.703 1.00 0.00 C ATOM 1888 O CYS B 40 6.137 3.259 0.918 1.00 0.00 O ATOM 1889 CB CYS B 40 3.433 4.832 2.211 1.00 0.00 C ATOM 1890 SG CYS B 40 2.763 6.423 2.741 1.00 0.00 S ATOM 0 H CYS B 40 2.794 5.735 -0.001 1.00 0.00 H new ATOM 0 HA CYS B 40 5.253 5.564 1.351 1.00 0.00 H new ATOM 0 HB2 CYS B 40 2.608 4.181 1.921 1.00 0.00 H new ATOM 0 HB3 CYS B 40 3.930 4.359 3.058 1.00 0.00 H new ATOM 0 HG CYS B 40 2.167 6.998 1.739 1.00 0.00 H new ATOM 1896 N VAL B 41 4.096 2.697 0.143 1.00 0.00 N ATOM 1897 CA VAL B 41 4.482 1.340 -0.244 1.00 0.00 C ATOM 1898 C VAL B 41 5.637 1.371 -1.242 1.00 0.00 C ATOM 1899 O VAL B 41 6.612 0.628 -1.105 1.00 0.00 O ATOM 1900 CB VAL B 41 3.288 0.567 -0.855 1.00 0.00 C ATOM 1901 CG1 VAL B 41 3.695 -0.844 -1.261 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.123 0.520 0.121 1.00 0.00 C ATOM 0 H VAL B 41 3.122 2.928 -0.053 1.00 0.00 H new ATOM 0 HA VAL B 41 4.803 0.823 0.660 1.00 0.00 H new ATOM 0 HB VAL B 41 2.971 1.100 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL B 41 2.836 -1.362 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL B 41 4.492 -0.794 -2.003 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.049 -1.387 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL B 41 1.294 -0.028 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL B 41 2.436 0.019 1.037 1.00 0.00 H new ATOM 0 HG23 VAL B 41 1.803 1.535 0.355 1.00 0.00 H new ATOM 1912 N THR B 42 5.532 2.257 -2.229 1.00 0.00 N ATOM 1913 CA THR B 42 6.571 2.404 -3.240 1.00 0.00 C ATOM 1914 C THR B 42 7.895 2.830 -2.604 1.00 0.00 C ATOM 1915 O THR B 42 8.945 2.258 -2.891 1.00 0.00 O ATOM 1916 CB THR B 42 6.173 3.444 -4.307 1.00 0.00 C ATOM 1917 OG1 THR B 42 4.857 3.173 -4.801 1.00 0.00 O ATOM 1918 CG2 THR B 42 7.155 3.428 -5.469 1.00 0.00 C ATOM 0 H THR B 42 4.736 2.884 -2.349 1.00 0.00 H new ATOM 0 HA THR B 42 6.691 1.431 -3.717 1.00 0.00 H new ATOM 0 HB THR B 42 6.191 4.428 -3.838 1.00 0.00 H new ATOM 0 HG1 THR B 42 4.193 3.547 -4.185 1.00 0.00 H new ATOM 0 HG21 THR B 42 6.855 4.169 -6.209 1.00 0.00 H new ATOM 0 HG22 THR B 42 8.155 3.664 -5.104 1.00 0.00 H new ATOM 0 HG23 THR B 42 7.160 2.439 -5.927 1.00 0.00 H new ATOM 1926 N HIS B 43 7.830 3.823 -1.725 1.00 0.00 N ATOM 1927 CA HIS B 43 9.022 4.381 -1.095 1.00 0.00 C ATOM 1928 C HIS B 43 9.655 3.382 -0.126 1.00 0.00 C ATOM 1929 O HIS B 43 10.864 3.415 0.108 1.00 0.00 O ATOM 1930 CB HIS B 43 8.663 5.687 -0.380 1.00 0.00 C ATOM 1931 CG HIS B 43 9.820 6.393 0.263 1.00 0.00 C ATOM 1932 ND1 HIS B 43 10.985 6.711 -0.399 1.00 0.00 N ATOM 1933 CD2 HIS B 43 9.967 6.868 1.518 1.00 0.00 C ATOM 1934 CE1 HIS B 43 11.791 7.351 0.421 1.00 0.00 C ATOM 1935 NE2 HIS B 43 11.198 7.465 1.595 1.00 0.00 N ATOM 0 H HIS B 43 6.958 4.262 -1.430 1.00 0.00 H new ATOM 0 HA HIS B 43 9.760 4.593 -1.869 1.00 0.00 H new ATOM 0 HB2 HIS B 43 8.198 6.362 -1.099 1.00 0.00 H new ATOM 0 HB3 HIS B 43 7.917 5.472 0.385 1.00 0.00 H new ATOM 0 HD1 HIS B 43 11.191 6.486 -1.372 1.00 0.00 H new ATOM 0 HD2 HIS B 43 9.245 6.791 2.317 1.00 0.00 H new ATOM 0 HE1 HIS B 43 12.775 7.722 0.174 1.00 0.00 H new ATOM 1944 N LEU B 44 8.842 2.498 0.435 1.00 0.00 N ATOM 1945 CA LEU B 44 9.355 1.429 1.283 1.00 0.00 C ATOM 1946 C LEU B 44 10.210 0.482 0.457 1.00 0.00 C ATOM 1947 O LEU B 44 11.343 0.171 0.825 1.00 0.00 O ATOM 1948 CB LEU B 44 8.213 0.660 1.947 1.00 0.00 C ATOM 1949 CG LEU B 44 7.421 1.446 2.990 1.00 0.00 C ATOM 1950 CD1 LEU B 44 6.277 0.605 3.534 1.00 0.00 C ATOM 1951 CD2 LEU B 44 8.335 1.900 4.120 1.00 0.00 C ATOM 0 H LEU B 44 7.829 2.499 0.320 1.00 0.00 H new ATOM 0 HA LEU B 44 9.965 1.876 2.068 1.00 0.00 H new ATOM 0 HB2 LEU B 44 7.526 0.321 1.172 1.00 0.00 H new ATOM 0 HB3 LEU B 44 8.624 -0.231 2.421 1.00 0.00 H new ATOM 0 HG LEU B 44 7.000 2.330 2.511 1.00 0.00 H new ATOM 0 HD11 LEU B 44 5.723 1.180 4.276 1.00 0.00 H new ATOM 0 HD12 LEU B 44 5.610 0.327 2.718 1.00 0.00 H new ATOM 0 HD13 LEU B 44 6.677 -0.296 3.999 1.00 0.00 H new ATOM 0 HD21 LEU B 44 7.755 2.459 4.855 1.00 0.00 H new ATOM 0 HD22 LEU B 44 8.783 1.029 4.598 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.122 2.538 3.718 1.00 0.00 H new ATOM 1963 N LEU B 45 9.664 0.045 -0.673 1.00 0.00 N ATOM 1964 CA LEU B 45 10.390 -0.814 -1.601 1.00 0.00 C ATOM 1965 C LEU B 45 11.607 -0.092 -2.163 1.00 0.00 C ATOM 1966 O LEU B 45 12.658 -0.689 -2.361 1.00 0.00 O ATOM 1967 CB LEU B 45 9.478 -1.253 -2.750 1.00 0.00 C ATOM 1968 CG LEU B 45 8.390 -2.258 -2.372 1.00 0.00 C ATOM 1969 CD1 LEU B 45 7.447 -2.488 -3.543 1.00 0.00 C ATOM 1970 CD2 LEU B 45 9.023 -3.569 -1.936 1.00 0.00 C ATOM 0 H LEU B 45 8.715 0.274 -0.969 1.00 0.00 H new ATOM 0 HA LEU B 45 10.724 -1.695 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.002 -0.368 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU B 45 10.095 -1.689 -3.536 1.00 0.00 H new ATOM 0 HG LEU B 45 7.812 -1.853 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU B 45 6.679 -3.206 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.976 -1.545 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.009 -2.878 -4.392 1.00 0.00 H new ATOM 0 HD21 LEU B 45 8.241 -4.279 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.618 -3.975 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU B 45 9.665 -3.394 -1.073 1.00 0.00 H new ATOM 1982 N GLU B 46 11.450 1.195 -2.413 1.00 0.00 N ATOM 1983 CA GLU B 46 12.513 2.007 -2.977 1.00 0.00 C ATOM 1984 C GLU B 46 13.706 2.108 -2.024 1.00 0.00 C ATOM 1985 O GLU B 46 14.850 1.923 -2.432 1.00 0.00 O ATOM 1986 CB GLU B 46 11.961 3.396 -3.327 1.00 0.00 C ATOM 1987 CG GLU B 46 12.988 4.368 -3.881 1.00 0.00 C ATOM 1988 CD GLU B 46 13.522 5.314 -2.823 1.00 0.00 C ATOM 1989 OE1 GLU B 46 12.749 6.172 -2.348 1.00 0.00 O ATOM 1990 OE2 GLU B 46 14.714 5.202 -2.461 1.00 0.00 O ATOM 0 H GLU B 46 10.586 1.705 -2.232 1.00 0.00 H new ATOM 0 HA GLU B 46 12.876 1.529 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU B 46 11.160 3.280 -4.057 1.00 0.00 H new ATOM 0 HB3 GLU B 46 11.516 3.831 -2.432 1.00 0.00 H new ATOM 0 HG2 GLU B 46 13.817 3.808 -4.315 1.00 0.00 H new ATOM 0 HG3 GLU B 46 12.538 4.947 -4.687 1.00 0.00 H new ATOM 1997 N ARG B 47 13.445 2.362 -0.753 1.00 0.00 N ATOM 1998 CA ARG B 47 14.524 2.615 0.186 1.00 0.00 C ATOM 1999 C ARG B 47 15.038 1.323 0.809 1.00 0.00 C ATOM 2000 O ARG B 47 16.248 1.123 0.925 1.00 0.00 O ATOM 2001 CB ARG B 47 14.069 3.587 1.277 1.00 0.00 C ATOM 2002 CG ARG B 47 15.143 3.882 2.315 1.00 0.00 C ATOM 2003 CD ARG B 47 14.712 4.981 3.270 1.00 0.00 C ATOM 2004 NE ARG B 47 14.619 6.282 2.606 1.00 0.00 N ATOM 2005 CZ ARG B 47 14.228 7.402 3.215 1.00 0.00 C ATOM 2006 NH1 ARG B 47 13.869 7.379 4.494 1.00 0.00 N ATOM 2007 NH2 ARG B 47 14.193 8.548 2.545 1.00 0.00 N ATOM 0 H ARG B 47 12.508 2.398 -0.351 1.00 0.00 H new ATOM 0 HA ARG B 47 15.345 3.067 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG B 47 13.758 4.522 0.812 1.00 0.00 H new ATOM 0 HB3 ARG B 47 13.194 3.174 1.779 1.00 0.00 H new ATOM 0 HG2 ARG B 47 15.364 2.975 2.879 1.00 0.00 H new ATOM 0 HG3 ARG B 47 16.064 4.177 1.812 1.00 0.00 H new ATOM 0 HD2 ARG B 47 13.745 4.726 3.703 1.00 0.00 H new ATOM 0 HD3 ARG B 47 15.423 5.045 4.093 1.00 0.00 H new ATOM 0 HE ARG B 47 14.868 6.335 1.618 1.00 0.00 H new ATOM 0 HH11 ARG B 47 13.892 6.502 5.014 1.00 0.00 H new ATOM 0 HH12 ARG B 47 13.571 8.238 4.955 1.00 0.00 H new ATOM 0 HH21 ARG B 47 14.466 8.573 1.562 1.00 0.00 H new ATOM 0 HH22 ARG B 47 13.894 9.403 3.013 1.00 0.00 H new ATOM 2021 N LYS B 48 14.129 0.437 1.186 1.00 0.00 N ATOM 2022 CA LYS B 48 14.506 -0.751 1.942 1.00 0.00 C ATOM 2023 C LYS B 48 14.877 -1.921 1.036 1.00 0.00 C ATOM 2024 O LYS B 48 15.545 -2.861 1.469 1.00 0.00 O ATOM 2025 CB LYS B 48 13.374 -1.168 2.886 1.00 0.00 C ATOM 2026 CG LYS B 48 13.124 -0.190 4.023 1.00 0.00 C ATOM 2027 CD LYS B 48 11.979 -0.650 4.911 1.00 0.00 C ATOM 2028 CE LYS B 48 11.844 0.218 6.153 1.00 0.00 C ATOM 2029 NZ LYS B 48 13.044 0.126 7.028 1.00 0.00 N ATOM 0 H LYS B 48 13.132 0.515 0.984 1.00 0.00 H new ATOM 0 HA LYS B 48 15.390 -0.488 2.523 1.00 0.00 H new ATOM 0 HB2 LYS B 48 12.456 -1.280 2.309 1.00 0.00 H new ATOM 0 HB3 LYS B 48 13.607 -2.146 3.307 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.030 -0.085 4.620 1.00 0.00 H new ATOM 0 HG3 LYS B 48 12.896 0.794 3.614 1.00 0.00 H new ATOM 0 HD2 LYS B 48 11.047 -0.623 4.346 1.00 0.00 H new ATOM 0 HD3 LYS B 48 12.142 -1.686 5.208 1.00 0.00 H new ATOM 0 HE2 LYS B 48 11.690 1.255 5.856 1.00 0.00 H new ATOM 0 HE3 LYS B 48 10.961 -0.087 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 12.816 0.500 7.971 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 13.337 -0.868 7.112 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 13.819 0.681 6.613 1.00 0.00 H new ATOM 2043 N VAL B 49 14.455 -1.866 -0.218 1.00 0.00 N ATOM 2044 CA VAL B 49 14.633 -2.996 -1.121 1.00 0.00 C ATOM 2045 C VAL B 49 15.494 -2.612 -2.333 1.00 0.00 C ATOM 2046 O VAL B 49 15.315 -1.542 -2.919 1.00 0.00 O ATOM 2047 CB VAL B 49 13.259 -3.534 -1.593 1.00 0.00 C ATOM 2048 CG1 VAL B 49 13.416 -4.788 -2.432 1.00 0.00 C ATOM 2049 CG2 VAL B 49 12.350 -3.808 -0.404 1.00 0.00 C ATOM 0 H VAL B 49 13.990 -1.058 -0.633 1.00 0.00 H new ATOM 0 HA VAL B 49 15.152 -3.781 -0.572 1.00 0.00 H new ATOM 0 HB VAL B 49 12.801 -2.765 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL B 49 12.434 -5.140 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL B 49 14.021 -4.564 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL B 49 13.906 -5.562 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL B 49 11.391 -4.185 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL B 49 12.814 -4.550 0.245 1.00 0.00 H new ATOM 0 HG23 VAL B 49 12.193 -2.885 0.154 1.00 0.00 H new ATOM 2059 N PRO B 50 16.466 -3.474 -2.697 1.00 0.00 N ATOM 2060 CA PRO B 50 17.312 -3.274 -3.884 1.00 0.00 C ATOM 2061 C PRO B 50 16.493 -3.144 -5.169 1.00 0.00 C ATOM 2062 O PRO B 50 15.393 -3.688 -5.266 1.00 0.00 O ATOM 2063 CB PRO B 50 18.178 -4.536 -3.926 1.00 0.00 C ATOM 2064 CG PRO B 50 18.185 -5.040 -2.525 1.00 0.00 C ATOM 2065 CD PRO B 50 16.835 -4.697 -1.963 1.00 0.00 C ATOM 0 HA PRO B 50 17.887 -2.350 -3.820 1.00 0.00 H new ATOM 0 HB2 PRO B 50 17.765 -5.277 -4.611 1.00 0.00 H new ATOM 0 HB3 PRO B 50 19.187 -4.312 -4.271 1.00 0.00 H new ATOM 0 HG2 PRO B 50 18.359 -6.116 -2.497 1.00 0.00 H new ATOM 0 HG3 PRO B 50 18.981 -4.573 -1.945 1.00 0.00 H new ATOM 0 HD2 PRO B 50 16.115 -5.498 -2.128 1.00 0.00 H new ATOM 0 HD3 PRO B 50 16.879 -4.524 -0.888 1.00 0.00 H new ATOM 2073 N SER B 51 17.052 -2.439 -6.149 1.00 0.00 N ATOM 2074 CA SER B 51 16.352 -2.093 -7.389 1.00 0.00 C ATOM 2075 C SER B 51 15.656 -3.297 -8.031 1.00 0.00 C ATOM 2076 O SER B 51 14.443 -3.272 -8.246 1.00 0.00 O ATOM 2077 CB SER B 51 17.339 -1.467 -8.376 1.00 0.00 C ATOM 2078 OG SER B 51 16.683 -1.002 -9.543 1.00 0.00 O ATOM 0 H SER B 51 18.009 -2.088 -6.108 1.00 0.00 H new ATOM 0 HA SER B 51 15.571 -1.377 -7.134 1.00 0.00 H new ATOM 0 HB2 SER B 51 17.859 -0.639 -7.895 1.00 0.00 H new ATOM 0 HB3 SER B 51 18.095 -2.202 -8.651 1.00 0.00 H new ATOM 0 HG SER B 51 17.341 -0.606 -10.152 1.00 0.00 H new ATOM 2084 N GLU B 52 16.416 -4.349 -8.323 1.00 0.00 N ATOM 2085 CA GLU B 52 15.861 -5.538 -8.974 1.00 0.00 C ATOM 2086 C GLU B 52 14.797 -6.185 -8.092 1.00 0.00 C ATOM 2087 O GLU B 52 13.750 -6.624 -8.571 1.00 0.00 O ATOM 2088 CB GLU B 52 16.968 -6.552 -9.278 1.00 0.00 C ATOM 2089 CG GLU B 52 16.454 -7.843 -9.902 1.00 0.00 C ATOM 2090 CD GLU B 52 17.527 -8.903 -10.029 1.00 0.00 C ATOM 2091 OE1 GLU B 52 18.089 -9.317 -8.991 1.00 0.00 O ATOM 2092 OE2 GLU B 52 17.817 -9.332 -11.167 1.00 0.00 O ATOM 0 H GLU B 52 17.414 -4.405 -8.121 1.00 0.00 H new ATOM 0 HA GLU B 52 15.401 -5.226 -9.912 1.00 0.00 H new ATOM 0 HB2 GLU B 52 17.693 -6.095 -9.952 1.00 0.00 H new ATOM 0 HB3 GLU B 52 17.496 -6.789 -8.355 1.00 0.00 H new ATOM 0 HG2 GLU B 52 15.635 -8.232 -9.297 1.00 0.00 H new ATOM 0 HG3 GLU B 52 16.046 -7.626 -10.889 1.00 0.00 H new ATOM 2099 N SER B 53 15.066 -6.208 -6.798 1.00 0.00 N ATOM 2100 CA SER B 53 14.204 -6.879 -5.844 1.00 0.00 C ATOM 2101 C SER B 53 12.883 -6.132 -5.678 1.00 0.00 C ATOM 2102 O SER B 53 11.852 -6.736 -5.389 1.00 0.00 O ATOM 2103 CB SER B 53 14.931 -7.013 -4.510 1.00 0.00 C ATOM 2104 OG SER B 53 16.257 -7.473 -4.703 1.00 0.00 O ATOM 0 H SER B 53 15.884 -5.764 -6.382 1.00 0.00 H new ATOM 0 HA SER B 53 13.967 -7.875 -6.219 1.00 0.00 H new ATOM 0 HB2 SER B 53 14.946 -6.049 -4.001 1.00 0.00 H new ATOM 0 HB3 SER B 53 14.391 -7.706 -3.865 1.00 0.00 H new ATOM 0 HG SER B 53 16.706 -7.550 -3.835 1.00 0.00 H new ATOM 2110 N ARG B 54 12.923 -4.809 -5.872 1.00 0.00 N ATOM 2111 CA ARG B 54 11.722 -3.982 -5.796 1.00 0.00 C ATOM 2112 C ARG B 54 10.640 -4.523 -6.720 1.00 0.00 C ATOM 2113 O ARG B 54 9.502 -4.729 -6.305 1.00 0.00 O ATOM 2114 CB ARG B 54 12.021 -2.539 -6.206 1.00 0.00 C ATOM 2115 CG ARG B 54 13.038 -1.819 -5.343 1.00 0.00 C ATOM 2116 CD ARG B 54 13.312 -0.431 -5.894 1.00 0.00 C ATOM 2117 NE ARG B 54 14.398 0.253 -5.199 1.00 0.00 N ATOM 2118 CZ ARG B 54 14.925 1.407 -5.613 1.00 0.00 C ATOM 2119 NH1 ARG B 54 14.456 1.998 -6.706 1.00 0.00 N ATOM 2120 NH2 ARG B 54 15.914 1.971 -4.936 1.00 0.00 N ATOM 0 H ARG B 54 13.776 -4.292 -6.083 1.00 0.00 H new ATOM 0 HA ARG B 54 11.379 -4.006 -4.762 1.00 0.00 H new ATOM 0 HB2 ARG B 54 12.377 -2.538 -7.236 1.00 0.00 H new ATOM 0 HB3 ARG B 54 11.089 -1.973 -6.190 1.00 0.00 H new ATOM 0 HG2 ARG B 54 12.669 -1.745 -4.320 1.00 0.00 H new ATOM 0 HG3 ARG B 54 13.964 -2.392 -5.307 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.557 -0.508 -6.953 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.405 0.169 -5.820 1.00 0.00 H new ATOM 0 HE ARG B 54 14.774 -0.174 -4.352 1.00 0.00 H new ATOM 0 HH11 ARG B 54 13.692 1.570 -7.230 1.00 0.00 H new ATOM 0 HH12 ARG B 54 14.859 2.880 -7.022 1.00 0.00 H new ATOM 0 HH21 ARG B 54 16.276 1.523 -4.094 1.00 0.00 H new ATOM 0 HH22 ARG B 54 16.313 2.853 -5.257 1.00 0.00 H new ATOM 2134 N GLN B 55 11.013 -4.765 -7.971 1.00 0.00 N ATOM 2135 CA GLN B 55 10.065 -5.217 -8.978 1.00 0.00 C ATOM 2136 C GLN B 55 9.564 -6.625 -8.675 1.00 0.00 C ATOM 2137 O GLN B 55 8.398 -6.936 -8.911 1.00 0.00 O ATOM 2138 CB GLN B 55 10.693 -5.154 -10.372 1.00 0.00 C ATOM 2139 CG GLN B 55 10.920 -3.731 -10.865 1.00 0.00 C ATOM 2140 CD GLN B 55 11.532 -3.668 -12.253 1.00 0.00 C ATOM 2141 OE1 GLN B 55 12.236 -2.716 -12.592 1.00 0.00 O ATOM 2142 NE2 GLN B 55 11.280 -4.682 -13.066 1.00 0.00 N ATOM 0 H GLN B 55 11.968 -4.655 -8.311 1.00 0.00 H new ATOM 0 HA GLN B 55 9.205 -4.547 -8.954 1.00 0.00 H new ATOM 0 HB2 GLN B 55 11.646 -5.683 -10.358 1.00 0.00 H new ATOM 0 HB3 GLN B 55 10.048 -5.677 -11.078 1.00 0.00 H new ATOM 0 HG2 GLN B 55 9.968 -3.199 -10.870 1.00 0.00 H new ATOM 0 HG3 GLN B 55 11.572 -3.210 -10.164 1.00 0.00 H new ATOM 0 HE21 GLN B 55 10.692 -5.454 -12.751 1.00 0.00 H new ATOM 0 HE22 GLN B 55 11.674 -4.691 -14.007 1.00 0.00 H new ATOM 2151 N ALA B 56 10.440 -7.464 -8.136 1.00 0.00 N ATOM 2152 CA ALA B 56 10.058 -8.822 -7.766 1.00 0.00 C ATOM 2153 C ALA B 56 9.017 -8.803 -6.653 1.00 0.00 C ATOM 2154 O ALA B 56 8.007 -9.510 -6.715 1.00 0.00 O ATOM 2155 CB ALA B 56 11.275 -9.622 -7.331 1.00 0.00 C ATOM 0 H ALA B 56 11.415 -7.230 -7.946 1.00 0.00 H new ATOM 0 HA ALA B 56 9.622 -9.301 -8.642 1.00 0.00 H new ATOM 0 HB1 ALA B 56 10.968 -10.632 -7.059 1.00 0.00 H new ATOM 0 HB2 ALA B 56 11.992 -9.669 -8.151 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.739 -9.140 -6.471 1.00 0.00 H new ATOM 2161 N VAL B 57 9.262 -7.984 -5.638 1.00 0.00 N ATOM 2162 CA VAL B 57 8.334 -7.860 -4.526 1.00 0.00 C ATOM 2163 C VAL B 57 7.050 -7.177 -4.979 1.00 0.00 C ATOM 2164 O VAL B 57 5.962 -7.578 -4.581 1.00 0.00 O ATOM 2165 CB VAL B 57 8.944 -7.081 -3.337 1.00 0.00 C ATOM 2166 CG1 VAL B 57 7.951 -6.991 -2.185 1.00 0.00 C ATOM 2167 CG2 VAL B 57 10.235 -7.737 -2.871 1.00 0.00 C ATOM 0 H VAL B 57 10.094 -7.398 -5.564 1.00 0.00 H new ATOM 0 HA VAL B 57 8.113 -8.871 -4.183 1.00 0.00 H new ATOM 0 HB VAL B 57 9.172 -6.070 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL B 57 8.401 -6.439 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.051 -6.474 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL B 57 7.690 -7.995 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL B 57 10.648 -7.174 -2.034 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.030 -8.760 -2.554 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.954 -7.748 -3.690 1.00 0.00 H new ATOM 2177 N ALA B 58 7.184 -6.157 -5.825 1.00 0.00 N ATOM 2178 CA ALA B 58 6.028 -5.431 -6.343 1.00 0.00 C ATOM 2179 C ALA B 58 5.084 -6.369 -7.084 1.00 0.00 C ATOM 2180 O ALA B 58 3.869 -6.321 -6.889 1.00 0.00 O ATOM 2181 CB ALA B 58 6.471 -4.299 -7.258 1.00 0.00 C ATOM 0 H ALA B 58 8.083 -5.815 -6.166 1.00 0.00 H new ATOM 0 HA ALA B 58 5.492 -5.004 -5.495 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.595 -3.771 -7.633 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.101 -3.606 -6.701 1.00 0.00 H new ATOM 0 HB3 ALA B 58 7.035 -4.708 -8.096 1.00 0.00 H new ATOM 2187 N GLU B 59 5.652 -7.225 -7.930 1.00 0.00 N ATOM 2188 CA GLU B 59 4.876 -8.232 -8.646 1.00 0.00 C ATOM 2189 C GLU B 59 4.085 -9.103 -7.678 1.00 0.00 C ATOM 2190 O GLU B 59 2.862 -9.203 -7.775 1.00 0.00 O ATOM 2191 CB GLU B 59 5.800 -9.109 -9.492 1.00 0.00 C ATOM 2192 CG GLU B 59 6.074 -8.549 -10.876 1.00 0.00 C ATOM 2193 CD GLU B 59 4.873 -8.674 -11.789 1.00 0.00 C ATOM 2194 OE1 GLU B 59 4.728 -9.731 -12.443 1.00 0.00 O ATOM 2195 OE2 GLU B 59 4.063 -7.729 -11.853 1.00 0.00 O ATOM 0 H GLU B 59 6.651 -7.240 -8.136 1.00 0.00 H new ATOM 0 HA GLU B 59 4.173 -7.714 -9.299 1.00 0.00 H new ATOM 0 HB2 GLU B 59 6.747 -9.236 -8.967 1.00 0.00 H new ATOM 0 HB3 GLU B 59 5.356 -10.099 -9.592 1.00 0.00 H new ATOM 0 HG2 GLU B 59 6.358 -7.500 -10.792 1.00 0.00 H new ATOM 0 HG3 GLU B 59 6.921 -9.074 -11.318 1.00 0.00 H new ATOM 2202 N GLN B 60 4.792 -9.716 -6.739 1.00 0.00 N ATOM 2203 CA GLN B 60 4.170 -10.607 -5.768 1.00 0.00 C ATOM 2204 C GLN B 60 3.142 -9.866 -4.914 1.00 0.00 C ATOM 2205 O GLN B 60 2.048 -10.373 -4.668 1.00 0.00 O ATOM 2206 CB GLN B 60 5.242 -11.239 -4.880 1.00 0.00 C ATOM 2207 CG GLN B 60 6.203 -12.139 -5.641 1.00 0.00 C ATOM 2208 CD GLN B 60 7.260 -12.763 -4.750 1.00 0.00 C ATOM 2209 OE1 GLN B 60 7.736 -13.867 -5.012 1.00 0.00 O ATOM 2210 NE2 GLN B 60 7.636 -12.062 -3.690 1.00 0.00 N ATOM 0 H GLN B 60 5.801 -9.612 -6.628 1.00 0.00 H new ATOM 0 HA GLN B 60 3.646 -11.393 -6.313 1.00 0.00 H new ATOM 0 HB2 GLN B 60 5.809 -10.448 -4.388 1.00 0.00 H new ATOM 0 HB3 GLN B 60 4.757 -11.819 -4.095 1.00 0.00 H new ATOM 0 HG2 GLN B 60 5.638 -12.930 -6.134 1.00 0.00 H new ATOM 0 HG3 GLN B 60 6.692 -11.560 -6.425 1.00 0.00 H new ATOM 0 HE21 GLN B 60 7.217 -11.150 -3.507 1.00 0.00 H new ATOM 0 HE22 GLN B 60 8.344 -12.434 -3.057 1.00 0.00 H new ATOM 2219 N PHE B 61 3.497 -8.662 -4.486 1.00 0.00 N ATOM 2220 CA PHE B 61 2.625 -7.848 -3.650 1.00 0.00 C ATOM 2221 C PHE B 61 1.332 -7.506 -4.378 1.00 0.00 C ATOM 2222 O PHE B 61 0.246 -7.650 -3.823 1.00 0.00 O ATOM 2223 CB PHE B 61 3.344 -6.562 -3.227 1.00 0.00 C ATOM 2224 CG PHE B 61 2.495 -5.636 -2.401 1.00 0.00 C ATOM 2225 CD1 PHE B 61 2.263 -5.901 -1.063 1.00 0.00 C ATOM 2226 CD2 PHE B 61 1.929 -4.502 -2.964 1.00 0.00 C ATOM 2227 CE1 PHE B 61 1.482 -5.055 -0.301 1.00 0.00 C ATOM 2228 CE2 PHE B 61 1.147 -3.652 -2.207 1.00 0.00 C ATOM 2229 CZ PHE B 61 0.924 -3.928 -0.874 1.00 0.00 C ATOM 0 H PHE B 61 4.391 -8.224 -4.707 1.00 0.00 H new ATOM 0 HA PHE B 61 2.375 -8.426 -2.761 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.236 -6.826 -2.659 1.00 0.00 H new ATOM 0 HB3 PHE B 61 3.679 -6.034 -4.120 1.00 0.00 H new ATOM 0 HD1 PHE B 61 2.698 -6.780 -0.610 1.00 0.00 H new ATOM 0 HD2 PHE B 61 2.102 -4.281 -4.007 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.307 -5.274 0.742 1.00 0.00 H new ATOM 0 HE2 PHE B 61 0.711 -2.773 -2.658 1.00 0.00 H new ATOM 0 HZ PHE B 61 0.314 -3.264 -0.279 1.00 0.00 H new ATOM 2239 N ALA B 62 1.459 -7.063 -5.623 1.00 0.00 N ATOM 2240 CA ALA B 62 0.306 -6.672 -6.423 1.00 0.00 C ATOM 2241 C ALA B 62 -0.676 -7.827 -6.581 1.00 0.00 C ATOM 2242 O ALA B 62 -1.889 -7.647 -6.464 1.00 0.00 O ATOM 2243 CB ALA B 62 0.757 -6.175 -7.786 1.00 0.00 C ATOM 0 H ALA B 62 2.354 -6.965 -6.102 1.00 0.00 H new ATOM 0 HA ALA B 62 -0.207 -5.864 -5.901 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -0.114 -5.886 -8.374 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.412 -5.313 -7.660 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.296 -6.969 -8.303 1.00 0.00 H new ATOM 2249 N LYS B 63 -0.145 -9.017 -6.829 1.00 0.00 N ATOM 2250 CA LYS B 63 -0.981 -10.193 -7.021 1.00 0.00 C ATOM 2251 C LYS B 63 -1.618 -10.610 -5.699 1.00 0.00 C ATOM 2252 O LYS B 63 -2.797 -10.963 -5.653 1.00 0.00 O ATOM 2253 CB LYS B 63 -0.159 -11.345 -7.604 1.00 0.00 C ATOM 2254 CG LYS B 63 0.643 -10.948 -8.835 1.00 0.00 C ATOM 2255 CD LYS B 63 1.405 -12.126 -9.416 1.00 0.00 C ATOM 2256 CE LYS B 63 2.583 -11.671 -10.268 1.00 0.00 C ATOM 2257 NZ LYS B 63 2.187 -10.720 -11.340 1.00 0.00 N ATOM 0 H LYS B 63 0.857 -9.193 -6.902 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.774 -9.944 -7.727 1.00 0.00 H new ATOM 0 HB2 LYS B 63 0.522 -11.719 -6.840 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -0.828 -12.165 -7.864 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -0.029 -10.541 -9.591 1.00 0.00 H new ATOM 0 HG3 LYS B 63 1.344 -10.156 -8.572 1.00 0.00 H new ATOM 0 HD2 LYS B 63 1.765 -12.761 -8.607 1.00 0.00 H new ATOM 0 HD3 LYS B 63 0.731 -12.732 -10.021 1.00 0.00 H new ATOM 0 HE2 LYS B 63 3.328 -11.199 -9.627 1.00 0.00 H new ATOM 0 HE3 LYS B 63 3.057 -12.543 -10.719 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 3.024 -10.458 -11.898 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 1.484 -11.170 -11.961 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 1.775 -9.866 -10.912 1.00 0.00 H new ATOM 2271 N ALA B 64 -0.838 -10.545 -4.624 1.00 0.00 N ATOM 2272 CA ALA B 64 -1.331 -10.887 -3.295 1.00 0.00 C ATOM 2273 C ALA B 64 -2.413 -9.911 -2.850 1.00 0.00 C ATOM 2274 O ALA B 64 -3.385 -10.302 -2.203 1.00 0.00 O ATOM 2275 CB ALA B 64 -0.189 -10.906 -2.290 1.00 0.00 C ATOM 0 H ALA B 64 0.140 -10.258 -4.648 1.00 0.00 H new ATOM 0 HA ALA B 64 -1.769 -11.884 -3.343 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -0.576 -11.163 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA B 64 0.551 -11.647 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA B 64 0.278 -9.922 -2.251 1.00 0.00 H new ATOM 2281 N LEU B 65 -2.236 -8.644 -3.205 1.00 0.00 N ATOM 2282 CA LEU B 65 -3.204 -7.602 -2.885 1.00 0.00 C ATOM 2283 C LEU B 65 -4.561 -7.944 -3.488 1.00 0.00 C ATOM 2284 O LEU B 65 -5.568 -8.028 -2.781 1.00 0.00 O ATOM 2285 CB LEU B 65 -2.716 -6.261 -3.439 1.00 0.00 C ATOM 2286 CG LEU B 65 -3.450 -5.017 -2.936 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -3.091 -4.740 -1.487 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -3.115 -3.814 -3.805 1.00 0.00 C ATOM 0 H LEU B 65 -1.421 -8.311 -3.720 1.00 0.00 H new ATOM 0 HA LEU B 65 -3.306 -7.532 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.658 -6.155 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.795 -6.290 -4.526 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.523 -5.200 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -3.621 -3.852 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -3.377 -5.593 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -2.017 -4.576 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -3.646 -2.937 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -2.041 -3.629 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.418 -4.012 -4.833 1.00 0.00 H new ATOM 2300 N ALA B 66 -4.570 -8.170 -4.797 1.00 0.00 N ATOM 2301 CA ALA B 66 -5.794 -8.500 -5.516 1.00 0.00 C ATOM 2302 C ALA B 66 -6.382 -9.817 -5.020 1.00 0.00 C ATOM 2303 O ALA B 66 -7.600 -9.957 -4.896 1.00 0.00 O ATOM 2304 CB ALA B 66 -5.525 -8.571 -7.012 1.00 0.00 C ATOM 0 H ALA B 66 -3.737 -8.130 -5.385 1.00 0.00 H new ATOM 0 HA ALA B 66 -6.522 -7.711 -5.326 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -6.448 -8.818 -7.536 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -5.156 -7.607 -7.362 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -4.778 -9.339 -7.211 1.00 0.00 H new ATOM 2310 N GLN B 67 -5.507 -10.776 -4.730 1.00 0.00 N ATOM 2311 CA GLN B 67 -5.928 -12.078 -4.229 1.00 0.00 C ATOM 2312 C GLN B 67 -6.646 -11.917 -2.891 1.00 0.00 C ATOM 2313 O GLN B 67 -7.699 -12.511 -2.673 1.00 0.00 O ATOM 2314 CB GLN B 67 -4.711 -13.004 -4.085 1.00 0.00 C ATOM 2315 CG GLN B 67 -5.043 -14.493 -4.026 1.00 0.00 C ATOM 2316 CD GLN B 67 -5.596 -14.947 -2.687 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -5.258 -14.398 -1.639 1.00 0.00 O ATOM 2318 NE2 GLN B 67 -6.444 -15.964 -2.712 1.00 0.00 N ATOM 0 H GLN B 67 -4.498 -10.673 -4.835 1.00 0.00 H new ATOM 0 HA GLN B 67 -6.621 -12.528 -4.940 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -4.038 -12.829 -4.924 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -4.169 -12.731 -3.179 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -5.769 -14.725 -4.805 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -4.143 -15.065 -4.249 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -6.700 -16.393 -3.601 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -6.841 -16.318 -1.842 1.00 0.00 H new ATOM 2327 N SER B 68 -6.082 -11.090 -2.017 1.00 0.00 N ATOM 2328 CA SER B 68 -6.667 -10.847 -0.703 1.00 0.00 C ATOM 2329 C SER B 68 -8.046 -10.202 -0.834 1.00 0.00 C ATOM 2330 O SER B 68 -8.991 -10.594 -0.150 1.00 0.00 O ATOM 2331 CB SER B 68 -5.741 -9.957 0.130 1.00 0.00 C ATOM 2332 OG SER B 68 -4.458 -10.548 0.267 1.00 0.00 O ATOM 0 H SER B 68 -5.219 -10.576 -2.195 1.00 0.00 H new ATOM 0 HA SER B 68 -6.785 -11.805 -0.197 1.00 0.00 H new ATOM 0 HB2 SER B 68 -5.647 -8.980 -0.343 1.00 0.00 H new ATOM 0 HB3 SER B 68 -6.177 -9.793 1.115 1.00 0.00 H new ATOM 0 HG SER B 68 -3.927 -10.367 -0.537 1.00 0.00 H new ATOM 2338 N VAL B 69 -8.157 -9.224 -1.728 1.00 0.00 N ATOM 2339 CA VAL B 69 -9.430 -8.560 -1.983 1.00 0.00 C ATOM 2340 C VAL B 69 -10.461 -9.558 -2.502 1.00 0.00 C ATOM 2341 O VAL B 69 -11.596 -9.607 -2.026 1.00 0.00 O ATOM 2342 CB VAL B 69 -9.282 -7.418 -3.012 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -10.624 -6.750 -3.274 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -8.263 -6.394 -2.543 1.00 0.00 C ATOM 0 H VAL B 69 -7.380 -8.874 -2.288 1.00 0.00 H new ATOM 0 HA VAL B 69 -9.764 -8.138 -1.035 1.00 0.00 H new ATOM 0 HB VAL B 69 -8.925 -7.853 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -10.496 -5.949 -4.002 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -11.327 -7.486 -3.665 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -11.012 -6.336 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -8.177 -5.600 -3.285 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -8.585 -5.969 -1.592 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -7.294 -6.877 -2.415 1.00 0.00 H new ATOM 2354 N LYS B 70 -10.045 -10.362 -3.471 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.931 -11.319 -4.112 1.00 0.00 C ATOM 2356 C LYS B 70 -11.317 -12.439 -3.147 1.00 0.00 C ATOM 2357 O LYS B 70 -12.424 -12.970 -3.212 1.00 0.00 O ATOM 2358 CB LYS B 70 -10.256 -11.897 -5.357 1.00 0.00 C ATOM 2359 CG LYS B 70 -11.206 -12.637 -6.282 1.00 0.00 C ATOM 2360 CD LYS B 70 -10.501 -13.092 -7.551 1.00 0.00 C ATOM 2361 CE LYS B 70 -11.490 -13.609 -8.581 1.00 0.00 C ATOM 2362 NZ LYS B 70 -12.410 -12.540 -9.056 1.00 0.00 N ATOM 0 H LYS B 70 -9.091 -10.368 -3.831 1.00 0.00 H new ATOM 0 HA LYS B 70 -11.844 -10.802 -4.408 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -9.782 -11.087 -5.911 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -9.463 -12.577 -5.046 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -11.621 -13.502 -5.764 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -12.043 -11.989 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -9.936 -12.261 -7.973 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -9.783 -13.876 -7.309 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -10.946 -14.023 -9.430 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -12.072 -14.423 -8.148 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -13.389 -12.790 -8.811 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -12.159 -11.639 -8.602 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -12.326 -12.443 -10.088 1.00 0.00 H new ATOM 2376 N SER B 71 -10.407 -12.771 -2.238 1.00 0.00 N ATOM 2377 CA SER B 71 -10.630 -13.841 -1.272 1.00 0.00 C ATOM 2378 C SER B 71 -11.652 -13.427 -0.214 1.00 0.00 C ATOM 2379 O SER B 71 -12.127 -14.261 0.555 1.00 0.00 O ATOM 2380 CB SER B 71 -9.310 -14.235 -0.603 1.00 0.00 C ATOM 2381 OG SER B 71 -9.477 -15.360 0.247 1.00 0.00 O ATOM 0 H SER B 71 -9.501 -12.311 -2.150 1.00 0.00 H new ATOM 0 HA SER B 71 -11.028 -14.701 -1.810 1.00 0.00 H new ATOM 0 HB2 SER B 71 -8.566 -14.461 -1.367 1.00 0.00 H new ATOM 0 HB3 SER B 71 -8.928 -13.394 -0.025 1.00 0.00 H new ATOM 0 HG SER B 71 -10.414 -15.422 0.527 1.00 0.00 H new