USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 425 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 Single : A 10 CYS SG : rot -47:sc= -0.632 USER MOD Single : A 11 GLN : amide:sc= 0.167 X(o=0.17,f=-0.011) USER MOD Single : A 15 SER OG : rot 40:sc= 0.0054 USER MOD Single : A 16 TYR OH : rot -71:sc= -1.56! USER MOD Single : A 19 GLN : amide:sc= -0.0392 X(o=-0.039,f=-0.31) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -6.5! C(o=-6.5!,f=-5.2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -4.74! USER MOD Single : A 53 MET CE :methyl -166:sc= -0.489 (180deg=-1.14) USER MOD Single : A 56 SER OG : rot 170:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -6.672 -6.607 0.503 1.00 0.00 N ATOM 67 CA ARG A 8 -6.365 -6.411 1.909 1.00 0.00 C ATOM 68 C ARG A 8 -5.980 -4.954 2.171 1.00 0.00 C ATOM 69 O ARG A 8 -6.074 -4.113 1.278 1.00 0.00 O ATOM 70 CB ARG A 8 -5.219 -7.322 2.355 1.00 0.00 C ATOM 71 CG ARG A 8 -3.876 -6.812 1.827 1.00 0.00 C ATOM 72 CD ARG A 8 -2.716 -7.624 2.405 1.00 0.00 C ATOM 73 NE ARG A 8 -2.914 -7.828 3.857 1.00 0.00 N ATOM 74 CZ ARG A 8 -2.381 -8.840 4.554 1.00 0.00 C ATOM 75 NH1 ARG A 8 -1.613 -9.748 3.935 1.00 0.00 N ATOM 76 NH2 ARG A 8 -2.614 -8.946 5.869 1.00 0.00 N ATOM 0 HA ARG A 8 -7.258 -6.663 2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.191 -7.371 3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.394 -8.336 1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.862 -6.874 0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.754 -5.761 2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.649 -8.588 1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.774 -7.105 2.228 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.493 -7.155 4.359 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.435 -9.668 2.934 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.207 -10.519 4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.198 -8.255 6.341 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.207 -9.717 6.398 1.00 0.00 H new ATOM 90 N ARG A 9 -5.555 -4.699 3.400 1.00 0.00 N ATOM 91 CA ARG A 9 -5.155 -3.358 3.790 1.00 0.00 C ATOM 92 C ARG A 9 -3.794 -3.391 4.487 1.00 0.00 C ATOM 93 O ARG A 9 -3.461 -4.365 5.161 1.00 0.00 O ATOM 94 CB ARG A 9 -6.186 -2.727 4.729 1.00 0.00 C ATOM 95 CG ARG A 9 -7.219 -1.917 3.944 1.00 0.00 C ATOM 96 CD ARG A 9 -8.545 -1.837 4.704 1.00 0.00 C ATOM 97 NE ARG A 9 -9.245 -3.139 4.640 1.00 0.00 N ATOM 98 CZ ARG A 9 -10.290 -3.469 5.411 1.00 0.00 C ATOM 99 NH1 ARG A 9 -10.762 -2.595 6.310 1.00 0.00 N ATOM 100 NH2 ARG A 9 -10.862 -4.674 5.284 1.00 0.00 N ATOM 0 H ARG A 9 -5.479 -5.399 4.138 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.088 -2.756 2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.688 -3.508 5.300 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.681 -2.081 5.447 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.838 -0.912 3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.382 -2.376 2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.362 -1.564 5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.173 -1.056 4.275 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.911 -3.829 3.967 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.326 -1.678 6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.558 -2.846 6.897 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.502 -5.340 4.600 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.657 -4.925 5.871 1.00 0.00 H new ATOM 114 N CYS A 10 -3.042 -2.316 4.300 1.00 0.00 N ATOM 115 CA CYS A 10 -1.724 -2.210 4.903 1.00 0.00 C ATOM 116 C CYS A 10 -1.588 -0.815 5.517 1.00 0.00 C ATOM 117 O CYS A 10 -2.366 0.084 5.204 1.00 0.00 O ATOM 118 CB CYS A 10 -0.615 -2.499 3.890 1.00 0.00 C ATOM 119 SG CYS A 10 -0.627 -1.231 2.570 1.00 0.00 S ATOM 0 H CYS A 10 -3.320 -1.511 3.739 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.616 -2.962 5.685 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.353 -2.506 4.390 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.756 -3.489 3.456 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.843 -1.061 2.142 1.00 0.00 H new ATOM 125 N GLN A 11 -0.592 -0.679 6.380 1.00 0.00 N ATOM 126 CA GLN A 11 -0.343 0.591 7.041 1.00 0.00 C ATOM 127 C GLN A 11 1.065 1.092 6.716 1.00 0.00 C ATOM 128 O GLN A 11 2.043 0.633 7.304 1.00 0.00 O ATOM 129 CB GLN A 11 -0.547 0.472 8.553 1.00 0.00 C ATOM 130 CG GLN A 11 -0.476 1.844 9.226 1.00 0.00 C ATOM 131 CD GLN A 11 -1.561 1.988 10.295 1.00 0.00 C ATOM 132 OE1 GLN A 11 -1.794 1.103 11.102 1.00 0.00 O ATOM 133 NE2 GLN A 11 -2.209 3.149 10.255 1.00 0.00 N ATOM 0 H GLN A 11 0.052 -1.427 6.637 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.062 1.320 6.667 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.514 0.012 8.758 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.214 -0.184 8.976 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.506 1.980 9.679 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.593 2.627 8.477 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.963 3.846 9.552 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.952 3.342 10.927 1.00 0.00 H new ATOM 142 N VAL A 12 1.125 2.027 5.779 1.00 0.00 N ATOM 143 CA VAL A 12 2.398 2.595 5.368 1.00 0.00 C ATOM 144 C VAL A 12 3.263 2.843 6.605 1.00 0.00 C ATOM 145 O VAL A 12 2.907 3.646 7.466 1.00 0.00 O ATOM 146 CB VAL A 12 2.163 3.860 4.540 1.00 0.00 C ATOM 147 CG1 VAL A 12 3.442 4.693 4.437 1.00 0.00 C ATOM 148 CG2 VAL A 12 1.622 3.513 3.151 1.00 0.00 C ATOM 0 H VAL A 12 0.312 2.406 5.293 1.00 0.00 H new ATOM 0 HA VAL A 12 2.938 1.898 4.727 1.00 0.00 H new ATOM 0 HB VAL A 12 1.412 4.461 5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.248 5.586 3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.768 4.985 5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.223 4.102 3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.464 4.430 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.340 2.881 2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.676 2.980 3.251 1.00 0.00 H new ATOM 158 N ALA A 13 4.385 2.139 6.654 1.00 0.00 N ATOM 159 CA ALA A 13 5.304 2.272 7.771 1.00 0.00 C ATOM 160 C ALA A 13 6.498 3.128 7.343 1.00 0.00 C ATOM 161 O ALA A 13 7.287 3.562 8.182 1.00 0.00 O ATOM 162 CB ALA A 13 5.725 0.883 8.254 1.00 0.00 C ATOM 0 H ALA A 13 4.678 1.475 5.938 1.00 0.00 H new ATOM 0 HA ALA A 13 4.821 2.775 8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.415 0.983 9.092 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.844 0.326 8.573 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.217 0.349 7.441 1.00 0.00 H new ATOM 168 N PHE A 14 6.594 3.344 6.040 1.00 0.00 N ATOM 169 CA PHE A 14 7.679 4.140 5.491 1.00 0.00 C ATOM 170 C PHE A 14 7.179 5.045 4.363 1.00 0.00 C ATOM 171 O PHE A 14 6.612 4.565 3.383 1.00 0.00 O ATOM 172 CB PHE A 14 8.709 3.162 4.925 1.00 0.00 C ATOM 173 CG PHE A 14 8.930 1.920 5.791 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.002 0.925 5.803 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.054 1.810 6.549 1.00 0.00 C ATOM 176 CE1 PHE A 14 8.207 -0.227 6.606 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.258 0.658 7.353 1.00 0.00 C ATOM 178 CZ PHE A 14 9.331 -0.336 7.365 1.00 0.00 C ATOM 0 H PHE A 14 5.938 2.982 5.348 1.00 0.00 H new ATOM 0 HA PHE A 14 8.105 4.775 6.268 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.389 2.847 3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.660 3.681 4.804 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.109 1.012 5.201 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.791 2.599 6.539 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.471 -1.017 6.615 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.150 0.571 7.955 1.00 0.00 H new ATOM 0 HZ PHE A 14 9.487 -1.212 7.977 1.00 0.00 H new ATOM 188 N SER A 15 7.407 6.338 4.540 1.00 0.00 N ATOM 189 CA SER A 15 6.986 7.315 3.549 1.00 0.00 C ATOM 190 C SER A 15 7.773 7.116 2.252 1.00 0.00 C ATOM 191 O SER A 15 9.000 7.027 2.274 1.00 0.00 O ATOM 192 CB SER A 15 7.171 8.742 4.069 1.00 0.00 C ATOM 193 OG SER A 15 8.451 8.930 4.668 1.00 0.00 O ATOM 0 H SER A 15 7.878 6.732 5.355 1.00 0.00 H new ATOM 0 HA SER A 15 5.925 7.165 3.350 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.049 9.446 3.246 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.393 8.966 4.799 1.00 0.00 H new ATOM 0 HG SER A 15 9.130 8.458 4.143 1.00 0.00 H new ATOM 199 N TYR A 16 7.035 7.052 1.154 1.00 0.00 N ATOM 200 CA TYR A 16 7.648 6.866 -0.150 1.00 0.00 C ATOM 201 C TYR A 16 7.163 7.926 -1.141 1.00 0.00 C ATOM 202 O TYR A 16 5.970 8.015 -1.426 1.00 0.00 O ATOM 203 CB TYR A 16 7.196 5.487 -0.635 1.00 0.00 C ATOM 204 CG TYR A 16 7.586 5.178 -2.082 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.763 5.572 -3.118 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.761 4.506 -2.352 1.00 0.00 C ATOM 207 CE1 TYR A 16 7.130 5.281 -4.480 1.00 0.00 C ATOM 208 CE2 TYR A 16 9.128 4.215 -3.714 1.00 0.00 C ATOM 209 CZ TYR A 16 8.294 4.617 -4.710 1.00 0.00 C ATOM 210 OH TYR A 16 8.640 4.342 -5.997 1.00 0.00 O ATOM 0 H TYR A 16 6.018 7.126 1.140 1.00 0.00 H new ATOM 0 HA TYR A 16 8.732 6.950 -0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.625 4.725 0.017 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.113 5.416 -0.538 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.844 6.098 -2.907 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.405 4.198 -1.542 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.495 5.583 -5.300 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.044 3.690 -3.939 1.00 0.00 H new ATOM 0 HH TYR A 16 8.047 3.648 -6.354 1.00 0.00 H new ATOM 220 N LEU A 17 8.114 8.704 -1.638 1.00 0.00 N ATOM 221 CA LEU A 17 7.798 9.755 -2.590 1.00 0.00 C ATOM 222 C LEU A 17 7.841 9.182 -4.008 1.00 0.00 C ATOM 223 O LEU A 17 8.842 8.594 -4.414 1.00 0.00 O ATOM 224 CB LEU A 17 8.721 10.958 -2.385 1.00 0.00 C ATOM 225 CG LEU A 17 8.587 11.686 -1.046 1.00 0.00 C ATOM 226 CD1 LEU A 17 7.380 12.626 -1.052 1.00 0.00 C ATOM 227 CD2 LEU A 17 8.534 10.692 0.115 1.00 0.00 C ATOM 0 H LEU A 17 9.103 8.627 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 17 6.786 10.126 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.752 10.622 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.535 11.674 -3.185 1.00 0.00 H new ATOM 0 HG LEU A 17 9.474 12.302 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.307 13.131 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.500 13.367 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.471 12.050 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.439 11.235 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.676 10.031 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.449 10.100 0.129 1.00 0.00 H new ATOM 239 N PRO A 18 6.713 9.379 -4.742 1.00 0.00 N ATOM 240 CA PRO A 18 6.612 8.888 -6.106 1.00 0.00 C ATOM 241 C PRO A 18 7.428 9.759 -7.063 1.00 0.00 C ATOM 242 O PRO A 18 7.095 10.921 -7.288 1.00 0.00 O ATOM 243 CB PRO A 18 5.125 8.895 -6.418 1.00 0.00 C ATOM 244 CG PRO A 18 4.489 9.822 -5.394 1.00 0.00 C ATOM 245 CD PRO A 18 5.508 10.071 -4.294 1.00 0.00 C ATOM 0 HA PRO A 18 7.025 7.886 -6.224 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.940 9.248 -7.433 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.707 7.891 -6.349 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.194 10.762 -5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.585 9.373 -4.982 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.691 11.137 -4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.161 9.682 -3.337 1.00 0.00 H new ATOM 253 N GLN A 19 8.482 9.163 -7.601 1.00 0.00 N ATOM 254 CA GLN A 19 9.348 9.869 -8.530 1.00 0.00 C ATOM 255 C GLN A 19 8.590 10.201 -9.816 1.00 0.00 C ATOM 256 O GLN A 19 9.099 10.922 -10.673 1.00 0.00 O ATOM 257 CB GLN A 19 10.609 9.056 -8.830 1.00 0.00 C ATOM 258 CG GLN A 19 11.167 8.419 -7.557 1.00 0.00 C ATOM 259 CD GLN A 19 12.609 8.866 -7.306 1.00 0.00 C ATOM 260 OE1 GLN A 19 13.424 8.956 -8.209 1.00 0.00 O ATOM 261 NE2 GLN A 19 12.876 9.140 -6.032 1.00 0.00 N ATOM 0 H GLN A 19 8.756 8.199 -7.411 1.00 0.00 H new ATOM 0 HA GLN A 19 9.661 10.804 -8.065 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.380 8.279 -9.559 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.364 9.702 -9.279 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.544 8.694 -6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.129 7.333 -7.643 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.146 9.044 -5.326 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.810 9.447 -5.761 1.00 0.00 H new ATOM 270 N ASN A 20 7.385 9.658 -9.911 1.00 0.00 N ATOM 271 CA ASN A 20 6.551 9.887 -11.079 1.00 0.00 C ATOM 272 C ASN A 20 5.125 10.210 -10.627 1.00 0.00 C ATOM 273 O ASN A 20 4.813 10.126 -9.440 1.00 0.00 O ATOM 274 CB ASN A 20 6.495 8.644 -11.968 1.00 0.00 C ATOM 275 CG ASN A 20 7.844 8.391 -12.644 1.00 0.00 C ATOM 276 OD1 ASN A 20 8.542 9.303 -13.056 1.00 0.00 O ATOM 277 ND2 ASN A 20 8.172 7.105 -12.734 1.00 0.00 N ATOM 0 H ASN A 20 6.966 9.060 -9.198 1.00 0.00 H new ATOM 0 HA ASN A 20 6.981 10.715 -11.643 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.216 7.777 -11.369 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.722 8.770 -12.726 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.054 6.833 -13.168 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.542 6.391 -12.369 1.00 0.00 H new ATOM 284 N ASP A 21 4.299 10.572 -11.597 1.00 0.00 N ATOM 285 CA ASP A 21 2.914 10.908 -11.314 1.00 0.00 C ATOM 286 C ASP A 21 2.035 9.680 -11.560 1.00 0.00 C ATOM 287 O ASP A 21 0.835 9.808 -11.798 1.00 0.00 O ATOM 288 CB ASP A 21 2.421 12.032 -12.227 1.00 0.00 C ATOM 289 CG ASP A 21 1.264 12.861 -11.667 1.00 0.00 C ATOM 290 OD1 ASP A 21 0.493 12.290 -10.865 1.00 0.00 O ATOM 291 OD2 ASP A 21 1.175 14.046 -12.053 1.00 0.00 O ATOM 0 H ASP A 21 4.562 10.640 -12.580 1.00 0.00 H new ATOM 0 HA ASP A 21 2.852 11.234 -10.276 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.256 12.699 -12.440 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.110 11.598 -13.177 1.00 0.00 H new ATOM 296 N ASP A 22 2.667 8.517 -11.496 1.00 0.00 N ATOM 297 CA ASP A 22 1.958 7.267 -11.709 1.00 0.00 C ATOM 298 C ASP A 22 2.227 6.326 -10.533 1.00 0.00 C ATOM 299 O ASP A 22 1.786 5.177 -10.539 1.00 0.00 O ATOM 300 CB ASP A 22 2.434 6.574 -12.988 1.00 0.00 C ATOM 301 CG ASP A 22 3.911 6.789 -13.327 1.00 0.00 C ATOM 302 OD1 ASP A 22 4.740 6.064 -12.737 1.00 0.00 O ATOM 303 OD2 ASP A 22 4.177 7.673 -14.170 1.00 0.00 O ATOM 0 H ASP A 22 3.663 8.414 -11.300 1.00 0.00 H new ATOM 0 HA ASP A 22 0.895 7.493 -11.796 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.250 5.504 -12.894 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.829 6.929 -13.823 1.00 0.00 H new ATOM 308 N GLU A 23 2.949 6.847 -9.553 1.00 0.00 N ATOM 309 CA GLU A 23 3.282 6.068 -8.372 1.00 0.00 C ATOM 310 C GLU A 23 2.464 6.547 -7.172 1.00 0.00 C ATOM 311 O GLU A 23 1.954 7.667 -7.170 1.00 0.00 O ATOM 312 CB GLU A 23 4.782 6.135 -8.076 1.00 0.00 C ATOM 313 CG GLU A 23 5.528 4.987 -8.759 1.00 0.00 C ATOM 314 CD GLU A 23 6.709 4.518 -7.907 1.00 0.00 C ATOM 315 OE1 GLU A 23 6.440 3.917 -6.845 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.855 4.770 -8.339 1.00 0.00 O ATOM 0 H GLU A 23 3.313 7.800 -9.552 1.00 0.00 H new ATOM 0 HA GLU A 23 3.030 5.025 -8.565 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.182 7.089 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.946 6.090 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.845 4.155 -8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.886 5.311 -9.736 1.00 0.00 H new ATOM 323 N LEU A 24 2.364 5.676 -6.179 1.00 0.00 N ATOM 324 CA LEU A 24 1.616 5.996 -4.975 1.00 0.00 C ATOM 325 C LEU A 24 2.546 6.676 -3.968 1.00 0.00 C ATOM 326 O LEU A 24 3.732 6.356 -3.898 1.00 0.00 O ATOM 327 CB LEU A 24 0.923 4.747 -4.426 1.00 0.00 C ATOM 328 CG LEU A 24 -0.372 4.335 -5.129 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.143 3.307 -4.299 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.227 5.559 -5.464 1.00 0.00 C ATOM 0 H LEU A 24 2.789 4.749 -6.183 1.00 0.00 H new ATOM 0 HA LEU A 24 0.817 6.702 -5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.623 3.914 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.704 4.911 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.111 3.856 -6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.059 3.031 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.526 2.420 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.394 3.737 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.142 5.238 -5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.481 6.088 -4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.668 6.224 -6.123 1.00 0.00 H new ATOM 342 N GLU A 25 1.973 7.601 -3.212 1.00 0.00 N ATOM 343 CA GLU A 25 2.736 8.329 -2.212 1.00 0.00 C ATOM 344 C GLU A 25 2.466 7.756 -0.819 1.00 0.00 C ATOM 345 O GLU A 25 1.471 8.101 -0.184 1.00 0.00 O ATOM 346 CB GLU A 25 2.418 9.825 -2.261 1.00 0.00 C ATOM 347 CG GLU A 25 3.108 10.569 -1.117 1.00 0.00 C ATOM 348 CD GLU A 25 2.722 12.050 -1.115 1.00 0.00 C ATOM 349 OE1 GLU A 25 3.096 12.735 -2.091 1.00 0.00 O ATOM 350 OE2 GLU A 25 2.062 12.463 -0.137 1.00 0.00 O ATOM 0 H GLU A 25 0.989 7.863 -3.272 1.00 0.00 H new ATOM 0 HA GLU A 25 3.796 8.210 -2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.742 10.238 -3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.340 9.974 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.832 10.116 -0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.189 10.471 -1.215 1.00 0.00 H new ATOM 357 N LEU A 26 3.371 6.892 -0.384 1.00 0.00 N ATOM 358 CA LEU A 26 3.243 6.268 0.922 1.00 0.00 C ATOM 359 C LEU A 26 3.497 7.315 2.009 1.00 0.00 C ATOM 360 O LEU A 26 4.507 8.016 1.977 1.00 0.00 O ATOM 361 CB LEU A 26 4.155 5.044 1.023 1.00 0.00 C ATOM 362 CG LEU A 26 4.144 4.099 -0.180 1.00 0.00 C ATOM 363 CD1 LEU A 26 5.253 3.051 -0.065 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.766 3.457 -0.361 1.00 0.00 C ATOM 0 H LEU A 26 4.196 6.609 -0.913 1.00 0.00 H new ATOM 0 HA LEU A 26 2.229 5.894 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.177 5.389 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.871 4.476 1.909 1.00 0.00 H new ATOM 0 HG LEU A 26 4.347 4.686 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.223 2.392 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.221 3.549 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.106 2.464 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.786 2.790 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.510 2.888 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.020 4.235 -0.522 1.00 0.00 H new ATOM 376 N LYS A 27 2.563 7.387 2.946 1.00 0.00 N ATOM 377 CA LYS A 27 2.673 8.337 4.040 1.00 0.00 C ATOM 378 C LYS A 27 2.453 7.607 5.367 1.00 0.00 C ATOM 379 O LYS A 27 1.360 7.108 5.631 1.00 0.00 O ATOM 380 CB LYS A 27 1.725 9.517 3.823 1.00 0.00 C ATOM 381 CG LYS A 27 2.487 10.751 3.337 1.00 0.00 C ATOM 382 CD LYS A 27 1.863 12.035 3.888 1.00 0.00 C ATOM 383 CE LYS A 27 2.678 13.262 3.476 1.00 0.00 C ATOM 384 NZ LYS A 27 3.189 13.970 4.670 1.00 0.00 N ATOM 0 H LYS A 27 1.727 6.803 2.970 1.00 0.00 H new ATOM 0 HA LYS A 27 3.675 8.766 4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.962 9.246 3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.208 9.748 4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.529 10.686 3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.483 10.779 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.841 12.133 3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.808 11.979 4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.511 12.957 2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.058 13.936 2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.740 14.800 4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.390 14.278 5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.797 13.330 5.219 1.00 0.00 H new ATOM 398 N VAL A 28 3.508 7.568 6.167 1.00 0.00 N ATOM 399 CA VAL A 28 3.444 6.907 7.459 1.00 0.00 C ATOM 400 C VAL A 28 2.049 7.102 8.058 1.00 0.00 C ATOM 401 O VAL A 28 1.705 8.198 8.495 1.00 0.00 O ATOM 402 CB VAL A 28 4.561 7.424 8.367 1.00 0.00 C ATOM 403 CG1 VAL A 28 4.481 6.784 9.755 1.00 0.00 C ATOM 404 CG2 VAL A 28 5.934 7.191 7.734 1.00 0.00 C ATOM 0 H VAL A 28 4.413 7.984 5.945 1.00 0.00 H new ATOM 0 HA VAL A 28 3.604 5.835 7.348 1.00 0.00 H new ATOM 0 HB VAL A 28 4.425 8.499 8.486 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.287 7.169 10.380 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.521 7.024 10.212 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.579 5.702 9.663 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.710 7.568 8.400 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.083 6.124 7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.989 7.715 6.780 1.00 0.00 H new ATOM 414 N GLY A 29 1.284 6.020 8.057 1.00 0.00 N ATOM 415 CA GLY A 29 -0.066 6.058 8.594 1.00 0.00 C ATOM 416 C GLY A 29 -1.097 5.740 7.510 1.00 0.00 C ATOM 417 O GLY A 29 -2.106 5.089 7.779 1.00 0.00 O ATOM 0 H GLY A 29 1.573 5.112 7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.157 5.340 9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.267 7.044 9.014 1.00 0.00 H new ATOM 421 N ASP A 30 -0.808 6.212 6.306 1.00 0.00 N ATOM 422 CA ASP A 30 -1.697 5.986 5.180 1.00 0.00 C ATOM 423 C ASP A 30 -2.037 4.497 5.095 1.00 0.00 C ATOM 424 O ASP A 30 -1.164 3.647 5.262 1.00 0.00 O ATOM 425 CB ASP A 30 -1.034 6.395 3.863 1.00 0.00 C ATOM 426 CG ASP A 30 -0.943 7.904 3.626 1.00 0.00 C ATOM 427 OD1 ASP A 30 -0.670 8.618 4.615 1.00 0.00 O ATOM 428 OD2 ASP A 30 -1.149 8.309 2.462 1.00 0.00 O ATOM 0 H ASP A 30 0.030 6.750 6.086 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.594 6.586 5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.028 5.977 3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.589 5.946 3.039 1.00 0.00 H new ATOM 433 N ILE A 31 -3.308 4.226 4.836 1.00 0.00 N ATOM 434 CA ILE A 31 -3.774 2.854 4.727 1.00 0.00 C ATOM 435 C ILE A 31 -4.139 2.558 3.271 1.00 0.00 C ATOM 436 O ILE A 31 -5.189 2.984 2.791 1.00 0.00 O ATOM 437 CB ILE A 31 -4.916 2.597 5.712 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.495 2.940 7.142 1.00 0.00 C ATOM 439 CG2 ILE A 31 -5.428 1.160 5.594 1.00 0.00 C ATOM 440 CD1 ILE A 31 -5.617 2.628 8.134 1.00 0.00 C ATOM 0 H ILE A 31 -4.030 4.934 4.698 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.982 2.159 5.005 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.745 3.257 5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.602 2.374 7.408 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.233 3.996 7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.239 1.003 6.305 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.794 0.986 4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.616 0.466 5.811 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.291 2.881 9.143 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.500 3.214 7.880 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.860 1.566 8.087 1.00 0.00 H new ATOM 452 N ILE A 32 -3.252 1.831 2.608 1.00 0.00 N ATOM 453 CA ILE A 32 -3.468 1.473 1.216 1.00 0.00 C ATOM 454 C ILE A 32 -4.344 0.221 1.146 1.00 0.00 C ATOM 455 O ILE A 32 -3.935 -0.853 1.585 1.00 0.00 O ATOM 456 CB ILE A 32 -2.131 1.330 0.487 1.00 0.00 C ATOM 457 CG1 ILE A 32 -1.667 2.674 -0.077 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.209 0.251 -0.595 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.193 2.927 0.249 1.00 0.00 C ATOM 0 H ILE A 32 -2.382 1.480 3.009 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.005 2.267 0.697 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.381 1.008 1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.812 2.688 -1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.278 3.476 0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.245 0.170 -1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.461 -0.706 -0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.976 0.519 -1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.111 3.889 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.056 2.936 1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.417 2.136 -0.187 1.00 0.00 H new ATOM 471 N GLU A 33 -5.533 0.400 0.590 1.00 0.00 N ATOM 472 CA GLU A 33 -6.471 -0.702 0.457 1.00 0.00 C ATOM 473 C GLU A 33 -5.998 -1.673 -0.626 1.00 0.00 C ATOM 474 O GLU A 33 -6.513 -1.662 -1.743 1.00 0.00 O ATOM 475 CB GLU A 33 -7.881 -0.189 0.156 1.00 0.00 C ATOM 476 CG GLU A 33 -8.795 -0.353 1.372 1.00 0.00 C ATOM 477 CD GLU A 33 -10.255 -0.084 1.000 1.00 0.00 C ATOM 478 OE1 GLU A 33 -10.627 1.109 0.988 1.00 0.00 O ATOM 479 OE2 GLU A 33 -10.965 -1.079 0.736 1.00 0.00 O ATOM 0 H GLU A 33 -5.869 1.292 0.226 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.510 -1.237 1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.836 0.862 -0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.297 -0.733 -0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.698 -1.363 1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.484 0.333 2.160 1.00 0.00 H new ATOM 486 N VAL A 34 -5.022 -2.490 -0.258 1.00 0.00 N ATOM 487 CA VAL A 34 -4.473 -3.466 -1.185 1.00 0.00 C ATOM 488 C VAL A 34 -5.606 -4.056 -2.027 1.00 0.00 C ATOM 489 O VAL A 34 -6.469 -4.762 -1.505 1.00 0.00 O ATOM 490 CB VAL A 34 -3.682 -4.528 -0.419 1.00 0.00 C ATOM 491 CG1 VAL A 34 -3.089 -5.565 -1.374 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.590 -3.885 0.439 1.00 0.00 C ATOM 0 H VAL A 34 -4.597 -2.496 0.669 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.772 -2.990 -1.871 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.373 -5.044 0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.532 -6.308 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.893 -6.056 -1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.419 -5.071 -2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.043 -4.662 0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.903 -3.332 -0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.046 -3.203 1.157 1.00 0.00 H new ATOM 502 N VAL A 35 -5.568 -3.746 -3.314 1.00 0.00 N ATOM 503 CA VAL A 35 -6.580 -4.238 -4.233 1.00 0.00 C ATOM 504 C VAL A 35 -6.036 -5.456 -4.981 1.00 0.00 C ATOM 505 O VAL A 35 -6.736 -6.455 -5.141 1.00 0.00 O ATOM 506 CB VAL A 35 -7.028 -3.113 -5.168 1.00 0.00 C ATOM 507 CG1 VAL A 35 -7.570 -1.923 -4.374 1.00 0.00 C ATOM 508 CG2 VAL A 35 -5.888 -2.682 -6.093 1.00 0.00 C ATOM 0 H VAL A 35 -4.852 -3.160 -3.743 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.466 -4.562 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.837 -3.497 -5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.881 -1.138 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.425 -2.242 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.791 -1.540 -3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.233 -1.881 -6.747 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.049 -2.326 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.568 -3.531 -6.697 1.00 0.00 H new ATOM 518 N GLY A 36 -4.791 -5.334 -5.420 1.00 0.00 N ATOM 519 CA GLY A 36 -4.145 -6.413 -6.147 1.00 0.00 C ATOM 520 C GLY A 36 -2.627 -6.367 -5.962 1.00 0.00 C ATOM 521 O GLY A 36 -2.137 -5.905 -4.933 1.00 0.00 O ATOM 0 H GLY A 36 -4.213 -4.504 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.529 -7.372 -5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.388 -6.339 -7.207 1.00 0.00 H new ATOM 525 N GLU A 37 -1.925 -6.852 -6.976 1.00 0.00 N ATOM 526 CA GLU A 37 -0.472 -6.871 -6.938 1.00 0.00 C ATOM 527 C GLU A 37 0.097 -6.794 -8.356 1.00 0.00 C ATOM 528 O GLU A 37 -0.438 -7.409 -9.278 1.00 0.00 O ATOM 529 CB GLU A 37 0.041 -8.114 -6.208 1.00 0.00 C ATOM 530 CG GLU A 37 1.500 -8.398 -6.568 1.00 0.00 C ATOM 531 CD GLU A 37 1.598 -9.450 -7.675 1.00 0.00 C ATOM 532 OE1 GLU A 37 0.686 -9.460 -8.530 1.00 0.00 O ATOM 533 OE2 GLU A 37 2.582 -10.220 -7.642 1.00 0.00 O ATOM 0 H GLU A 37 -2.335 -7.234 -7.828 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.131 -5.997 -6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.050 -7.971 -5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.576 -8.974 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.984 -7.477 -6.893 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.035 -8.744 -5.684 1.00 0.00 H new ATOM 540 N VAL A 38 1.174 -6.034 -8.487 1.00 0.00 N ATOM 541 CA VAL A 38 1.821 -5.868 -9.777 1.00 0.00 C ATOM 542 C VAL A 38 2.861 -6.974 -9.967 1.00 0.00 C ATOM 543 O VAL A 38 2.660 -7.891 -10.762 1.00 0.00 O ATOM 544 CB VAL A 38 2.416 -4.463 -9.888 1.00 0.00 C ATOM 545 CG1 VAL A 38 3.026 -4.234 -11.272 1.00 0.00 C ATOM 546 CG2 VAL A 38 1.366 -3.397 -9.568 1.00 0.00 C ATOM 0 H VAL A 38 1.615 -5.526 -7.720 1.00 0.00 H new ATOM 0 HA VAL A 38 1.094 -5.963 -10.583 1.00 0.00 H new ATOM 0 HB VAL A 38 3.215 -4.378 -9.152 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.442 -3.228 -11.324 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.817 -4.963 -11.446 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.254 -4.348 -12.033 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.814 -2.407 -9.654 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.536 -3.482 -10.270 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.998 -3.542 -8.552 1.00 0.00 H new ATOM 556 N GLU A 39 3.951 -6.851 -9.224 1.00 0.00 N ATOM 557 CA GLU A 39 5.023 -7.829 -9.300 1.00 0.00 C ATOM 558 C GLU A 39 5.678 -8.006 -7.929 1.00 0.00 C ATOM 559 O GLU A 39 5.382 -7.263 -6.995 1.00 0.00 O ATOM 560 CB GLU A 39 6.057 -7.428 -10.354 1.00 0.00 C ATOM 561 CG GLU A 39 6.482 -5.969 -10.177 1.00 0.00 C ATOM 562 CD GLU A 39 7.428 -5.534 -11.299 1.00 0.00 C ATOM 563 OE1 GLU A 39 8.016 -6.439 -11.928 1.00 0.00 O ATOM 564 OE2 GLU A 39 7.541 -4.306 -11.502 1.00 0.00 O ATOM 0 H GLU A 39 4.115 -6.089 -8.566 1.00 0.00 H new ATOM 0 HA GLU A 39 4.596 -8.785 -9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.930 -8.077 -10.278 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.640 -7.571 -11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.601 -5.328 -10.170 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.974 -5.844 -9.212 1.00 0.00 H new ATOM 571 N GLU A 40 6.556 -8.996 -7.851 1.00 0.00 N ATOM 572 CA GLU A 40 7.256 -9.280 -6.610 1.00 0.00 C ATOM 573 C GLU A 40 7.860 -7.997 -6.035 1.00 0.00 C ATOM 574 O GLU A 40 8.660 -7.335 -6.694 1.00 0.00 O ATOM 575 CB GLU A 40 8.332 -10.347 -6.819 1.00 0.00 C ATOM 576 CG GLU A 40 8.715 -11.007 -5.493 1.00 0.00 C ATOM 577 CD GLU A 40 10.235 -11.034 -5.313 1.00 0.00 C ATOM 578 OE1 GLU A 40 10.790 -9.956 -5.012 1.00 0.00 O ATOM 579 OE2 GLU A 40 10.806 -12.133 -5.482 1.00 0.00 O ATOM 0 H GLU A 40 6.798 -9.611 -8.628 1.00 0.00 H new ATOM 0 HA GLU A 40 6.536 -9.673 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.969 -11.104 -7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.214 -9.895 -7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.257 -10.464 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.323 -12.024 -5.462 1.00 0.00 H new ATOM 586 N GLY A 41 7.454 -7.685 -4.813 1.00 0.00 N ATOM 587 CA GLY A 41 7.946 -6.494 -4.143 1.00 0.00 C ATOM 588 C GLY A 41 7.107 -5.270 -4.515 1.00 0.00 C ATOM 589 O GLY A 41 7.310 -4.185 -3.972 1.00 0.00 O ATOM 0 H GLY A 41 6.790 -8.237 -4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.920 -6.643 -3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.987 -6.322 -4.416 1.00 0.00 H new ATOM 593 N TRP A 42 6.182 -5.485 -5.439 1.00 0.00 N ATOM 594 CA TRP A 42 5.311 -4.413 -5.890 1.00 0.00 C ATOM 595 C TRP A 42 3.865 -4.902 -5.786 1.00 0.00 C ATOM 596 O TRP A 42 3.524 -5.958 -6.315 1.00 0.00 O ATOM 597 CB TRP A 42 5.688 -3.958 -7.301 1.00 0.00 C ATOM 598 CG TRP A 42 7.038 -3.242 -7.385 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.257 -3.790 -7.489 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.258 -1.816 -7.367 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.242 -2.824 -7.540 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.615 -1.586 -7.463 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.340 -0.755 -7.273 1.00 0.00 C ATOM 604 CZ2 TRP A 42 9.177 -0.304 -7.474 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.917 0.520 -7.286 1.00 0.00 C ATOM 606 CH2 TRP A 42 8.281 0.769 -7.382 1.00 0.00 C ATOM 0 H TRP A 42 6.017 -6.386 -5.888 1.00 0.00 H new ATOM 0 HA TRP A 42 5.426 -3.532 -5.259 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.708 -4.827 -7.959 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.911 -3.292 -7.676 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.445 -4.853 -7.528 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.245 -2.989 -7.620 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.274 -0.912 -7.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.243 -0.150 -7.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.255 1.371 -7.217 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.648 1.785 -7.386 1.00 0.00 H new ATOM 617 N TRP A 43 3.054 -4.110 -5.099 1.00 0.00 N ATOM 618 CA TRP A 43 1.653 -4.450 -4.919 1.00 0.00 C ATOM 619 C TRP A 43 0.812 -3.324 -5.525 1.00 0.00 C ATOM 620 O TRP A 43 1.347 -2.290 -5.921 1.00 0.00 O ATOM 621 CB TRP A 43 1.336 -4.705 -3.444 1.00 0.00 C ATOM 622 CG TRP A 43 1.848 -6.049 -2.921 1.00 0.00 C ATOM 623 CD1 TRP A 43 2.369 -7.064 -3.625 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.866 -6.486 -1.546 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.720 -8.118 -2.807 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.405 -7.756 -1.503 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.442 -5.830 -0.377 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.569 -8.479 -0.315 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.612 -6.566 0.801 1.00 0.00 C ATOM 630 CH2 TRP A 43 2.153 -7.845 0.862 1.00 0.00 C ATOM 0 H TRP A 43 3.341 -3.235 -4.661 1.00 0.00 H new ATOM 0 HA TRP A 43 1.412 -5.380 -5.434 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.771 -3.904 -2.846 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.256 -4.659 -3.302 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.498 -7.057 -4.697 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.135 -9.001 -3.105 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.019 -4.837 -0.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.993 -9.472 -0.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.301 -6.108 1.728 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.252 -8.347 1.813 1.00 0.00 H new ATOM 641 N GLU A 44 -0.490 -3.564 -5.578 1.00 0.00 N ATOM 642 CA GLU A 44 -1.410 -2.584 -6.129 1.00 0.00 C ATOM 643 C GLU A 44 -2.527 -2.283 -5.128 1.00 0.00 C ATOM 644 O GLU A 44 -3.256 -3.185 -4.716 1.00 0.00 O ATOM 645 CB GLU A 44 -1.984 -3.060 -7.464 1.00 0.00 C ATOM 646 CG GLU A 44 -2.577 -1.892 -8.254 1.00 0.00 C ATOM 647 CD GLU A 44 -2.637 -2.215 -9.749 1.00 0.00 C ATOM 648 OE1 GLU A 44 -1.562 -2.163 -10.384 1.00 0.00 O ATOM 649 OE2 GLU A 44 -3.757 -2.506 -10.222 1.00 0.00 O ATOM 0 H GLU A 44 -0.930 -4.423 -5.248 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.859 -1.663 -6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.200 -3.540 -8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.754 -3.811 -7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.579 -1.671 -7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.974 -0.998 -8.095 1.00 0.00 H new ATOM 656 N GLY A 45 -2.627 -1.013 -4.765 1.00 0.00 N ATOM 657 CA GLY A 45 -3.643 -0.582 -3.820 1.00 0.00 C ATOM 658 C GLY A 45 -4.065 0.863 -4.089 1.00 0.00 C ATOM 659 O GLY A 45 -3.618 1.474 -5.059 1.00 0.00 O ATOM 0 H GLY A 45 -2.021 -0.268 -5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.511 -1.237 -3.890 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.259 -0.669 -2.803 1.00 0.00 H new ATOM 663 N VAL A 46 -4.922 1.369 -3.214 1.00 0.00 N ATOM 664 CA VAL A 46 -5.409 2.731 -3.345 1.00 0.00 C ATOM 665 C VAL A 46 -4.815 3.591 -2.228 1.00 0.00 C ATOM 666 O VAL A 46 -4.294 3.065 -1.246 1.00 0.00 O ATOM 667 CB VAL A 46 -6.939 2.741 -3.358 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.485 4.010 -2.700 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.477 2.586 -4.782 1.00 0.00 C ATOM 0 H VAL A 46 -5.291 0.859 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.086 3.162 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.284 1.887 -2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.575 3.992 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.144 4.059 -1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.126 4.885 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.567 2.596 -4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.117 3.410 -5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.131 1.641 -5.201 1.00 0.00 H new ATOM 679 N LEU A 47 -4.913 4.899 -2.415 1.00 0.00 N ATOM 680 CA LEU A 47 -4.392 5.837 -1.435 1.00 0.00 C ATOM 681 C LEU A 47 -5.270 7.090 -1.418 1.00 0.00 C ATOM 682 O LEU A 47 -5.306 7.840 -2.392 1.00 0.00 O ATOM 683 CB LEU A 47 -2.914 6.125 -1.703 1.00 0.00 C ATOM 684 CG LEU A 47 -2.224 7.066 -0.713 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.175 6.450 0.686 1.00 0.00 C ATOM 686 CD2 LEU A 47 -0.834 7.464 -1.213 1.00 0.00 C ATOM 0 H LEU A 47 -5.346 5.332 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.433 5.406 -0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.375 5.178 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.823 6.550 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.814 7.979 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.680 7.139 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.190 6.259 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.621 5.512 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.365 8.133 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.221 6.571 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.924 7.972 -2.173 1.00 0.00 H new ATOM 698 N ASN A 48 -5.955 7.279 -0.300 1.00 0.00 N ATOM 699 CA ASN A 48 -6.829 8.428 -0.143 1.00 0.00 C ATOM 700 C ASN A 48 -7.702 8.574 -1.391 1.00 0.00 C ATOM 701 O ASN A 48 -8.173 9.668 -1.699 1.00 0.00 O ATOM 702 CB ASN A 48 -6.021 9.717 0.022 1.00 0.00 C ATOM 703 CG ASN A 48 -5.363 10.124 -1.298 1.00 0.00 C ATOM 704 OD1 ASN A 48 -6.018 10.473 -2.266 1.00 0.00 O ATOM 705 ND2 ASN A 48 -4.035 10.061 -1.282 1.00 0.00 N ATOM 0 H ASN A 48 -5.922 6.655 0.506 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.439 8.268 0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.674 10.518 0.369 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.256 9.576 0.786 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.502 10.314 -2.114 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.549 9.760 -0.437 1.00 0.00 H new ATOM 712 N GLY A 49 -7.891 7.455 -2.076 1.00 0.00 N ATOM 713 CA GLY A 49 -8.699 7.445 -3.284 1.00 0.00 C ATOM 714 C GLY A 49 -7.832 7.202 -4.521 1.00 0.00 C ATOM 715 O GLY A 49 -8.258 6.531 -5.460 1.00 0.00 O ATOM 0 H GLY A 49 -7.499 6.550 -1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.460 6.668 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.223 8.396 -3.384 1.00 0.00 H new ATOM 719 N LYS A 50 -6.631 7.761 -4.482 1.00 0.00 N ATOM 720 CA LYS A 50 -5.701 7.613 -5.588 1.00 0.00 C ATOM 721 C LYS A 50 -5.365 6.132 -5.772 1.00 0.00 C ATOM 722 O LYS A 50 -5.838 5.285 -5.015 1.00 0.00 O ATOM 723 CB LYS A 50 -4.472 8.501 -5.377 1.00 0.00 C ATOM 724 CG LYS A 50 -3.839 8.887 -6.715 1.00 0.00 C ATOM 725 CD LYS A 50 -3.335 10.331 -6.687 1.00 0.00 C ATOM 726 CE LYS A 50 -1.834 10.394 -6.977 1.00 0.00 C ATOM 727 NZ LYS A 50 -1.503 11.625 -7.729 1.00 0.00 N ATOM 0 H LYS A 50 -6.281 8.317 -3.702 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.157 7.954 -6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.758 9.401 -4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.741 7.976 -4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.011 8.214 -6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.570 8.769 -7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.877 10.923 -7.425 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.539 10.772 -5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.275 10.371 -6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.531 9.518 -7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.481 11.652 -7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.022 11.631 -8.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.774 12.458 -7.168 1.00 0.00 H new ATOM 741 N THR A 51 -4.550 5.863 -6.781 1.00 0.00 N ATOM 742 CA THR A 51 -4.145 4.499 -7.074 1.00 0.00 C ATOM 743 C THR A 51 -2.764 4.482 -7.734 1.00 0.00 C ATOM 744 O THR A 51 -2.323 5.490 -8.283 1.00 0.00 O ATOM 745 CB THR A 51 -5.236 3.856 -7.932 1.00 0.00 C ATOM 746 OG1 THR A 51 -6.337 3.708 -7.040 1.00 0.00 O ATOM 747 CG2 THR A 51 -4.891 2.422 -8.339 1.00 0.00 C ATOM 0 H THR A 51 -4.159 6.567 -7.407 1.00 0.00 H new ATOM 0 HA THR A 51 -4.041 3.913 -6.161 1.00 0.00 H new ATOM 0 HB THR A 51 -5.397 4.459 -8.826 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.090 3.299 -7.515 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.698 2.012 -8.946 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.966 2.420 -8.915 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.763 1.811 -7.445 1.00 0.00 H new ATOM 755 N GLY A 52 -2.121 3.326 -7.657 1.00 0.00 N ATOM 756 CA GLY A 52 -0.800 3.165 -8.240 1.00 0.00 C ATOM 757 C GLY A 52 -0.132 1.883 -7.738 1.00 0.00 C ATOM 758 O GLY A 52 -0.793 1.016 -7.169 1.00 0.00 O ATOM 0 H GLY A 52 -2.490 2.492 -7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.879 3.137 -9.327 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.180 4.025 -7.988 1.00 0.00 H new ATOM 762 N MET A 53 1.171 1.805 -7.966 1.00 0.00 N ATOM 763 CA MET A 53 1.936 0.644 -7.543 1.00 0.00 C ATOM 764 C MET A 53 3.037 1.042 -6.558 1.00 0.00 C ATOM 765 O MET A 53 3.930 1.816 -6.899 1.00 0.00 O ATOM 766 CB MET A 53 2.563 -0.027 -8.767 1.00 0.00 C ATOM 767 CG MET A 53 3.118 1.015 -9.740 1.00 0.00 C ATOM 768 SD MET A 53 3.842 0.204 -11.156 1.00 0.00 S ATOM 769 CE MET A 53 5.361 -0.389 -10.431 1.00 0.00 C ATOM 0 H MET A 53 1.716 2.526 -8.438 1.00 0.00 H new ATOM 0 HA MET A 53 1.261 -0.050 -7.043 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.363 -0.696 -8.450 1.00 0.00 H new ATOM 0 HB3 MET A 53 1.817 -0.640 -9.272 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.321 1.685 -10.062 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.867 1.629 -9.240 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.045 -0.699 -11.221 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.820 0.408 -9.846 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.147 -1.238 -9.782 1.00 0.00 H new ATOM 779 N PHE A 54 2.937 0.494 -5.356 1.00 0.00 N ATOM 780 CA PHE A 54 3.914 0.782 -4.319 1.00 0.00 C ATOM 781 C PHE A 54 4.624 -0.495 -3.865 1.00 0.00 C ATOM 782 O PHE A 54 4.107 -1.595 -4.047 1.00 0.00 O ATOM 783 CB PHE A 54 3.147 1.373 -3.135 1.00 0.00 C ATOM 784 CG PHE A 54 2.218 0.379 -2.436 1.00 0.00 C ATOM 785 CD1 PHE A 54 1.030 0.041 -3.007 1.00 0.00 C ATOM 786 CD2 PHE A 54 2.579 -0.168 -1.244 1.00 0.00 C ATOM 787 CE1 PHE A 54 0.168 -0.882 -2.358 1.00 0.00 C ATOM 788 CE2 PHE A 54 1.717 -1.091 -0.596 1.00 0.00 C ATOM 789 CZ PHE A 54 0.529 -1.429 -1.167 1.00 0.00 C ATOM 0 H PHE A 54 2.195 -0.148 -5.077 1.00 0.00 H new ATOM 0 HA PHE A 54 4.669 1.470 -4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.862 1.759 -2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.558 2.221 -3.484 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.743 0.475 -3.954 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.522 0.100 -0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.775 -1.150 -2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.004 -1.525 0.350 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.127 -2.132 -0.674 1.00 0.00 H new ATOM 799 N PRO A 55 5.831 -0.300 -3.269 1.00 0.00 N ATOM 800 CA PRO A 55 6.618 -1.422 -2.788 1.00 0.00 C ATOM 801 C PRO A 55 6.031 -1.989 -1.494 1.00 0.00 C ATOM 802 O PRO A 55 5.840 -1.259 -0.522 1.00 0.00 O ATOM 803 CB PRO A 55 8.023 -0.870 -2.610 1.00 0.00 C ATOM 804 CG PRO A 55 7.873 0.641 -2.552 1.00 0.00 C ATOM 805 CD PRO A 55 6.475 0.990 -3.037 1.00 0.00 C ATOM 0 HA PRO A 55 6.619 -2.262 -3.482 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.480 -1.252 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.667 -1.167 -3.438 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.025 1.001 -1.534 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.625 1.123 -3.176 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.933 1.576 -2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.509 1.585 -3.949 1.00 0.00 H new ATOM 813 N SER A 56 5.760 -3.286 -1.522 1.00 0.00 N ATOM 814 CA SER A 56 5.198 -3.959 -0.364 1.00 0.00 C ATOM 815 C SER A 56 6.268 -4.120 0.718 1.00 0.00 C ATOM 816 O SER A 56 5.977 -4.580 1.821 1.00 0.00 O ATOM 817 CB SER A 56 4.621 -5.323 -0.746 1.00 0.00 C ATOM 818 OG SER A 56 5.636 -6.238 -1.152 1.00 0.00 O ATOM 0 H SER A 56 5.920 -3.889 -2.329 1.00 0.00 H new ATOM 0 HA SER A 56 4.385 -3.347 0.026 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.078 -5.738 0.103 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.901 -5.198 -1.555 1.00 0.00 H new ATOM 0 HG SER A 56 5.253 -7.137 -1.232 1.00 0.00 H new ATOM 824 N ASN A 57 7.485 -3.731 0.365 1.00 0.00 N ATOM 825 CA ASN A 57 8.600 -3.826 1.292 1.00 0.00 C ATOM 826 C ASN A 57 8.664 -2.553 2.138 1.00 0.00 C ATOM 827 O ASN A 57 9.635 -2.331 2.859 1.00 0.00 O ATOM 828 CB ASN A 57 9.927 -3.964 0.544 1.00 0.00 C ATOM 829 CG ASN A 57 10.356 -5.429 0.454 1.00 0.00 C ATOM 830 OD1 ASN A 57 11.250 -5.886 1.147 1.00 0.00 O ATOM 831 ND2 ASN A 57 9.670 -6.140 -0.438 1.00 0.00 N ATOM 0 H ASN A 57 7.723 -3.349 -0.550 1.00 0.00 H new ATOM 0 HA ASN A 57 8.445 -4.705 1.917 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.828 -3.548 -0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.698 -3.386 1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.881 -7.129 -0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.933 -5.696 -0.986 1.00 0.00 H new ATOM 838 N PHE A 58 7.616 -1.750 2.021 1.00 0.00 N ATOM 839 CA PHE A 58 7.541 -0.505 2.767 1.00 0.00 C ATOM 840 C PHE A 58 6.179 -0.354 3.446 1.00 0.00 C ATOM 841 O PHE A 58 5.661 0.756 3.569 1.00 0.00 O ATOM 842 CB PHE A 58 7.724 0.632 1.759 1.00 0.00 C ATOM 843 CG PHE A 58 9.146 0.751 1.206 1.00 0.00 C ATOM 844 CD1 PHE A 58 9.668 -0.253 0.452 1.00 0.00 C ATOM 845 CD2 PHE A 58 9.887 1.861 1.469 1.00 0.00 C ATOM 846 CE1 PHE A 58 10.988 -0.142 -0.061 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.206 1.971 0.956 1.00 0.00 C ATOM 848 CZ PHE A 58 11.729 0.967 0.202 1.00 0.00 C ATOM 0 H PHE A 58 6.812 -1.937 1.421 1.00 0.00 H new ATOM 0 HA PHE A 58 8.307 -0.489 3.542 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.034 0.482 0.929 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.450 1.574 2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.079 -1.134 0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.472 2.658 2.068 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.403 -0.939 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.794 2.852 1.164 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.733 1.051 -0.188 1.00 0.00 H new ATOM 858 N ILE A 59 5.636 -1.486 3.871 1.00 0.00 N ATOM 859 CA ILE A 59 4.344 -1.493 4.535 1.00 0.00 C ATOM 860 C ILE A 59 4.361 -2.526 5.663 1.00 0.00 C ATOM 861 O ILE A 59 5.405 -3.103 5.966 1.00 0.00 O ATOM 862 CB ILE A 59 3.221 -1.711 3.519 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.573 -2.837 2.545 1.00 0.00 C ATOM 864 CG2 ILE A 59 2.880 -0.409 2.791 1.00 0.00 C ATOM 865 CD1 ILE A 59 3.202 -4.202 3.127 1.00 0.00 C ATOM 0 H ILE A 59 6.068 -2.404 3.768 1.00 0.00 H new ATOM 0 HA ILE A 59 4.145 -0.524 4.992 1.00 0.00 H new ATOM 0 HB ILE A 59 2.327 -2.021 4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.047 -2.685 1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.640 -2.810 2.323 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.079 -0.592 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.556 0.339 3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.762 -0.045 2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.463 -4.984 2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.748 -4.362 4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.131 -4.234 3.325 1.00 0.00 H new ATOM 877 N LYS A 60 3.193 -2.729 6.254 1.00 0.00 N ATOM 878 CA LYS A 60 3.061 -3.683 7.343 1.00 0.00 C ATOM 879 C LYS A 60 1.652 -4.279 7.324 1.00 0.00 C ATOM 880 O LYS A 60 0.707 -3.663 7.816 1.00 0.00 O ATOM 881 CB LYS A 60 3.435 -3.031 8.675 1.00 0.00 C ATOM 882 CG LYS A 60 2.507 -1.856 8.991 1.00 0.00 C ATOM 883 CD LYS A 60 3.222 -0.805 9.842 1.00 0.00 C ATOM 884 CE LYS A 60 2.944 -1.021 11.330 1.00 0.00 C ATOM 885 NZ LYS A 60 3.962 -1.917 11.923 1.00 0.00 N ATOM 0 H LYS A 60 2.329 -2.250 6.000 1.00 0.00 H new ATOM 0 HA LYS A 60 3.759 -4.510 7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.377 -3.770 9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.467 -2.683 8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.160 -1.402 8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.624 -2.217 9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.295 -0.853 9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.892 0.191 9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.948 -0.063 11.849 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.951 -1.451 11.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.758 -2.053 12.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.939 -2.837 11.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.905 -1.491 11.814 1.00 0.00 H new ATOM 899 N GLU A 61 1.555 -5.470 6.753 1.00 0.00 N ATOM 900 CA GLU A 61 0.277 -6.156 6.664 1.00 0.00 C ATOM 901 C GLU A 61 -0.518 -5.967 7.958 1.00 0.00 C ATOM 902 O GLU A 61 0.058 -5.690 9.009 1.00 0.00 O ATOM 903 CB GLU A 61 0.472 -7.641 6.352 1.00 0.00 C ATOM 904 CG GLU A 61 1.409 -7.832 5.158 1.00 0.00 C ATOM 905 CD GLU A 61 2.676 -8.585 5.569 1.00 0.00 C ATOM 906 OE1 GLU A 61 3.318 -8.128 6.539 1.00 0.00 O ATOM 907 OE2 GLU A 61 2.973 -9.601 4.904 1.00 0.00 O ATOM 0 H GLU A 61 2.341 -5.978 6.347 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.292 -5.718 5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.882 -8.149 7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.493 -8.101 6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.893 -8.383 4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.678 -6.860 4.743 1.00 0.00 H new ATOM 914 N LEU A 62 -1.828 -6.125 7.839 1.00 0.00 N ATOM 915 CA LEU A 62 -2.707 -5.976 8.986 1.00 0.00 C ATOM 916 C LEU A 62 -3.866 -6.968 8.867 1.00 0.00 C ATOM 917 O LEU A 62 -4.660 -6.891 7.931 1.00 0.00 O ATOM 918 CB LEU A 62 -3.156 -4.520 9.131 1.00 0.00 C ATOM 919 CG LEU A 62 -2.079 -3.459 8.892 1.00 0.00 C ATOM 920 CD1 LEU A 62 -2.707 -2.117 8.512 1.00 0.00 C ATOM 921 CD2 LEU A 62 -1.154 -3.336 10.104 1.00 0.00 C ATOM 0 H LEU A 62 -2.302 -6.355 6.966 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.176 -6.215 9.907 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.975 -4.342 8.434 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.557 -4.382 10.135 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.466 -3.778 8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.920 -1.381 8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.291 -2.234 7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.358 -1.779 9.318 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.398 -2.576 9.909 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.737 -3.051 10.980 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.667 -4.293 10.289 1.00 0.00 H new