USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 405 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 44:sc= 0.0283 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0115 X(o=-0.012,f=-0.036) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.152 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -108:sc= 0.0605 USER MOD Single : A 57 ASN : amide:sc= -8.68! C(o=-8.7!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 0.230 5.620 -1.781 1.00 0.00 N ATOM 67 CA LYS A 8 0.261 5.502 -0.333 1.00 0.00 C ATOM 68 C LYS A 8 0.919 4.176 0.053 1.00 0.00 C ATOM 69 O LYS A 8 0.954 3.241 -0.746 1.00 0.00 O ATOM 70 CB LYS A 8 -1.142 5.685 0.249 1.00 0.00 C ATOM 71 CG LYS A 8 -1.101 6.531 1.524 1.00 0.00 C ATOM 72 CD LYS A 8 -1.933 5.888 2.635 1.00 0.00 C ATOM 73 CE LYS A 8 -3.263 6.621 2.819 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.606 6.722 4.255 1.00 0.00 N ATOM 0 HA LYS A 8 0.868 6.297 0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.786 6.164 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.578 4.711 0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.069 6.644 1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.480 7.531 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.121 4.842 2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.372 5.904 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.198 7.618 2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.053 6.091 2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.512 7.222 4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.688 5.768 4.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.860 7.247 4.754 1.00 0.00 H new ATOM 88 N TYR A 9 1.424 4.136 1.277 1.00 0.00 N ATOM 89 CA TYR A 9 2.079 2.940 1.778 1.00 0.00 C ATOM 90 C TYR A 9 1.662 2.650 3.221 1.00 0.00 C ATOM 91 O TYR A 9 0.935 3.433 3.830 1.00 0.00 O ATOM 92 CB TYR A 9 3.580 3.235 1.742 1.00 0.00 C ATOM 93 CG TYR A 9 4.159 3.345 0.331 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.016 4.516 -0.385 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.825 2.272 -0.227 1.00 0.00 C ATOM 96 CE1 TYR A 9 4.562 4.620 -1.713 1.00 0.00 C ATOM 97 CE2 TYR A 9 5.370 2.376 -1.556 1.00 0.00 C ATOM 98 CZ TYR A 9 5.212 3.544 -2.234 1.00 0.00 C ATOM 99 OH TYR A 9 5.727 3.642 -3.489 1.00 0.00 O ATOM 0 H TYR A 9 1.393 4.913 1.937 1.00 0.00 H new ATOM 0 HA TYR A 9 1.809 2.073 1.175 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.770 4.167 2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.108 2.447 2.280 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.494 5.355 0.051 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.937 1.355 0.333 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.458 5.531 -2.283 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.893 1.544 -2.004 1.00 0.00 H new ATOM 0 HH TYR A 9 6.164 2.799 -3.730 1.00 0.00 H new ATOM 109 N VAL A 10 2.141 1.523 3.727 1.00 0.00 N ATOM 110 CA VAL A 10 1.827 1.121 5.087 1.00 0.00 C ATOM 111 C VAL A 10 3.070 0.504 5.732 1.00 0.00 C ATOM 112 O VAL A 10 3.717 -0.360 5.141 1.00 0.00 O ATOM 113 CB VAL A 10 0.623 0.177 5.089 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.038 -1.243 4.701 1.00 0.00 C ATOM 115 CG2 VAL A 10 -0.082 0.191 6.447 1.00 0.00 C ATOM 0 H VAL A 10 2.744 0.876 3.219 1.00 0.00 H new ATOM 0 HA VAL A 10 1.546 1.987 5.685 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.084 0.535 4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.163 -1.893 4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.473 -1.235 3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.774 -1.615 5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.934 -0.488 6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.614 -0.129 7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.429 1.201 6.666 1.00 0.00 H new ATOM 125 N LYS A 11 3.368 0.972 6.935 1.00 0.00 N ATOM 126 CA LYS A 11 4.522 0.477 7.666 1.00 0.00 C ATOM 127 C LYS A 11 4.073 -0.609 8.646 1.00 0.00 C ATOM 128 O LYS A 11 3.459 -0.310 9.669 1.00 0.00 O ATOM 129 CB LYS A 11 5.272 1.634 8.331 1.00 0.00 C ATOM 130 CG LYS A 11 6.712 1.236 8.661 1.00 0.00 C ATOM 131 CD LYS A 11 7.116 1.742 10.047 1.00 0.00 C ATOM 132 CE LYS A 11 7.670 0.604 10.906 1.00 0.00 C ATOM 133 NZ LYS A 11 7.378 0.845 12.337 1.00 0.00 N ATOM 0 H LYS A 11 2.830 1.689 7.422 1.00 0.00 H new ATOM 0 HA LYS A 11 5.236 0.015 6.983 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.273 2.500 7.669 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.755 1.931 9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.811 0.151 8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.387 1.645 7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.867 2.526 9.947 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.253 2.188 10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.230 -0.343 10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.747 0.519 10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.761 0.063 12.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.819 1.739 12.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.349 0.903 12.476 1.00 0.00 H new ATOM 147 N ILE A 12 4.396 -1.845 8.298 1.00 0.00 N ATOM 148 CA ILE A 12 4.033 -2.977 9.134 1.00 0.00 C ATOM 149 C ILE A 12 4.447 -2.691 10.579 1.00 0.00 C ATOM 150 O ILE A 12 5.507 -2.117 10.823 1.00 0.00 O ATOM 151 CB ILE A 12 4.623 -4.271 8.570 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.129 -4.523 7.144 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.333 -5.455 9.495 1.00 0.00 C ATOM 154 CD1 ILE A 12 2.602 -4.604 7.099 1.00 0.00 C ATOM 0 H ILE A 12 4.905 -2.088 7.448 1.00 0.00 H new ATOM 0 HA ILE A 12 2.952 -3.120 9.133 1.00 0.00 H new ATOM 0 HB ILE A 12 5.706 -4.159 8.520 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.474 -3.723 6.489 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.557 -5.451 6.766 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.763 -6.362 9.071 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.774 -5.268 10.474 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.255 -5.579 9.600 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.277 -4.784 6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.262 -5.421 7.736 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.177 -3.665 7.455 1.00 0.00 H new ATOM 166 N LEU A 13 3.589 -3.106 11.500 1.00 0.00 N ATOM 167 CA LEU A 13 3.852 -2.901 12.914 1.00 0.00 C ATOM 168 C LEU A 13 4.275 -4.229 13.547 1.00 0.00 C ATOM 169 O LEU A 13 5.120 -4.254 14.440 1.00 0.00 O ATOM 170 CB LEU A 13 2.646 -2.251 13.595 1.00 0.00 C ATOM 171 CG LEU A 13 2.097 -0.990 12.926 1.00 0.00 C ATOM 172 CD1 LEU A 13 0.780 -0.555 13.572 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.137 0.132 12.935 1.00 0.00 C ATOM 0 H LEU A 13 2.711 -3.583 11.294 1.00 0.00 H new ATOM 0 HA LEU A 13 4.679 -2.204 13.051 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.844 -2.987 13.650 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.922 -2.004 14.620 1.00 0.00 H new ATOM 0 HG LEU A 13 1.883 -1.223 11.883 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.412 0.344 13.077 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.044 -1.353 13.471 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.945 -0.346 14.629 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.721 1.017 12.453 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.405 0.371 13.964 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.026 -0.192 12.394 1.00 0.00 H new ATOM 185 N TYR A 14 3.667 -5.300 13.058 1.00 0.00 N ATOM 186 CA TYR A 14 3.969 -6.628 13.565 1.00 0.00 C ATOM 187 C TYR A 14 4.349 -7.576 12.426 1.00 0.00 C ATOM 188 O TYR A 14 3.771 -7.512 11.342 1.00 0.00 O ATOM 189 CB TYR A 14 2.683 -7.131 14.224 1.00 0.00 C ATOM 190 CG TYR A 14 2.255 -6.322 15.450 1.00 0.00 C ATOM 191 CD1 TYR A 14 2.715 -6.671 16.703 1.00 0.00 C ATOM 192 CD2 TYR A 14 1.407 -5.242 15.302 1.00 0.00 C ATOM 193 CE1 TYR A 14 2.312 -5.910 17.857 1.00 0.00 C ATOM 194 CE2 TYR A 14 1.004 -4.481 16.456 1.00 0.00 C ATOM 195 CZ TYR A 14 1.476 -4.852 17.676 1.00 0.00 C ATOM 196 OH TYR A 14 1.095 -4.133 18.766 1.00 0.00 O ATOM 0 H TYR A 14 2.967 -5.275 12.316 1.00 0.00 H new ATOM 0 HA TYR A 14 4.808 -6.592 14.260 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.878 -7.111 13.489 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.820 -8.172 14.518 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.378 -7.516 16.818 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.046 -4.968 14.321 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.665 -6.173 18.843 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.341 -3.634 16.355 1.00 0.00 H new ATOM 0 HH TYR A 14 0.499 -3.407 18.487 1.00 0.00 H new ATOM 206 N ASP A 15 5.318 -8.434 12.710 1.00 0.00 N ATOM 207 CA ASP A 15 5.782 -9.394 11.723 1.00 0.00 C ATOM 208 C ASP A 15 4.711 -10.468 11.521 1.00 0.00 C ATOM 209 O ASP A 15 4.338 -11.163 12.465 1.00 0.00 O ATOM 210 CB ASP A 15 7.064 -10.086 12.188 1.00 0.00 C ATOM 211 CG ASP A 15 7.028 -10.621 13.621 1.00 0.00 C ATOM 212 OD1 ASP A 15 6.511 -11.746 13.793 1.00 0.00 O ATOM 213 OD2 ASP A 15 7.517 -9.893 14.511 1.00 0.00 O ATOM 0 H ASP A 15 5.795 -8.484 13.610 1.00 0.00 H new ATOM 0 HA ASP A 15 5.979 -8.856 10.796 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.277 -10.914 11.512 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.891 -9.382 12.100 1.00 0.00 H new ATOM 218 N PHE A 16 4.248 -10.571 10.284 1.00 0.00 N ATOM 219 CA PHE A 16 3.227 -11.549 9.947 1.00 0.00 C ATOM 220 C PHE A 16 3.728 -12.513 8.869 1.00 0.00 C ATOM 221 O PHE A 16 4.514 -12.129 8.004 1.00 0.00 O ATOM 222 CB PHE A 16 2.026 -10.773 9.402 1.00 0.00 C ATOM 223 CG PHE A 16 0.856 -11.659 8.971 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.820 -12.172 7.712 1.00 0.00 C ATOM 225 CD2 PHE A 16 -0.147 -11.934 9.847 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.266 -12.995 7.312 1.00 0.00 C ATOM 227 CE2 PHE A 16 -1.233 -12.757 9.446 1.00 0.00 C ATOM 228 CZ PHE A 16 -1.270 -13.270 8.187 1.00 0.00 C ATOM 0 H PHE A 16 4.561 -9.994 9.503 1.00 0.00 H new ATOM 0 HA PHE A 16 2.966 -12.134 10.829 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.679 -10.077 10.166 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.349 -10.175 8.550 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.617 -11.954 7.017 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.118 -11.527 10.847 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.295 -13.403 6.312 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.030 -12.976 10.141 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.096 -13.895 7.882 1.00 0.00 H new ATOM 238 N THR A 17 3.251 -13.746 8.956 1.00 0.00 N ATOM 239 CA THR A 17 3.640 -14.768 7.999 1.00 0.00 C ATOM 240 C THR A 17 2.445 -15.169 7.132 1.00 0.00 C ATOM 241 O THR A 17 1.356 -15.417 7.646 1.00 0.00 O ATOM 242 CB THR A 17 4.247 -15.938 8.777 1.00 0.00 C ATOM 243 OG1 THR A 17 5.374 -15.368 9.437 1.00 0.00 O ATOM 244 CG2 THR A 17 4.851 -17.001 7.858 1.00 0.00 C ATOM 0 H THR A 17 2.599 -14.060 9.674 1.00 0.00 H new ATOM 0 HA THR A 17 4.394 -14.395 7.306 1.00 0.00 H new ATOM 0 HB THR A 17 3.481 -16.394 9.404 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.826 -16.057 9.967 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.268 -17.808 8.460 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.076 -17.399 7.204 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.641 -16.554 7.254 1.00 0.00 H new ATOM 252 N ALA A 18 2.690 -15.221 5.831 1.00 0.00 N ATOM 253 CA ALA A 18 1.648 -15.588 4.887 1.00 0.00 C ATOM 254 C ALA A 18 1.423 -17.101 4.945 1.00 0.00 C ATOM 255 O ALA A 18 2.324 -17.877 4.631 1.00 0.00 O ATOM 256 CB ALA A 18 2.034 -15.109 3.487 1.00 0.00 C ATOM 0 H ALA A 18 3.595 -15.015 5.408 1.00 0.00 H new ATOM 0 HA ALA A 18 0.707 -15.104 5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.252 -15.385 2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.152 -14.025 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.973 -15.575 3.189 1.00 0.00 H new ATOM 324 N GLU A 23 -2.387 -14.470 1.218 1.00 0.00 N ATOM 325 CA GLU A 23 -1.737 -13.636 2.215 1.00 0.00 C ATOM 326 C GLU A 23 -0.328 -13.258 1.754 1.00 0.00 C ATOM 327 O GLU A 23 0.282 -13.973 0.961 1.00 0.00 O ATOM 328 CB GLU A 23 -1.700 -14.335 3.575 1.00 0.00 C ATOM 329 CG GLU A 23 -3.115 -14.602 4.093 1.00 0.00 C ATOM 330 CD GLU A 23 -3.405 -13.776 5.348 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.733 -12.734 5.509 1.00 0.00 O ATOM 332 OE2 GLU A 23 -4.291 -14.205 6.118 1.00 0.00 O ATOM 0 HA GLU A 23 -2.318 -12.721 2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.157 -15.276 3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.157 -13.717 4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.842 -14.359 3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.230 -15.663 4.317 1.00 0.00 H new ATOM 339 N LEU A 24 0.148 -12.135 2.271 1.00 0.00 N ATOM 340 CA LEU A 24 1.474 -11.653 1.922 1.00 0.00 C ATOM 341 C LEU A 24 2.370 -11.698 3.161 1.00 0.00 C ATOM 342 O LEU A 24 1.983 -11.226 4.229 1.00 0.00 O ATOM 343 CB LEU A 24 1.388 -10.270 1.274 1.00 0.00 C ATOM 344 CG LEU A 24 2.635 -9.805 0.518 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.584 -10.248 -0.946 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.826 -8.293 0.653 1.00 0.00 C ATOM 0 H LEU A 24 -0.361 -11.545 2.929 1.00 0.00 H new ATOM 0 HA LEU A 24 1.931 -12.301 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.546 -10.266 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.165 -9.539 2.052 1.00 0.00 H new ATOM 0 HG LEU A 24 3.506 -10.281 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.481 -9.905 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.530 -11.336 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.704 -9.819 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.719 -7.989 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.957 -7.778 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.939 -8.033 1.706 1.00 0.00 H new ATOM 358 N SER A 25 3.551 -12.269 2.978 1.00 0.00 N ATOM 359 CA SER A 25 4.506 -12.382 4.068 1.00 0.00 C ATOM 360 C SER A 25 5.264 -11.064 4.237 1.00 0.00 C ATOM 361 O SER A 25 5.982 -10.636 3.334 1.00 0.00 O ATOM 362 CB SER A 25 5.486 -13.531 3.825 1.00 0.00 C ATOM 363 OG SER A 25 5.917 -13.588 2.468 1.00 0.00 O ATOM 0 H SER A 25 3.869 -12.659 2.091 1.00 0.00 H new ATOM 0 HA SER A 25 3.956 -12.598 4.984 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.352 -13.412 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.012 -14.475 4.095 1.00 0.00 H new ATOM 0 HG SER A 25 6.123 -12.683 2.152 1.00 0.00 H new ATOM 369 N VAL A 26 5.080 -10.457 5.400 1.00 0.00 N ATOM 370 CA VAL A 26 5.738 -9.196 5.699 1.00 0.00 C ATOM 371 C VAL A 26 6.543 -9.340 6.992 1.00 0.00 C ATOM 372 O VAL A 26 6.511 -10.389 7.633 1.00 0.00 O ATOM 373 CB VAL A 26 4.706 -8.068 5.759 1.00 0.00 C ATOM 374 CG1 VAL A 26 3.897 -7.995 4.463 1.00 0.00 C ATOM 375 CG2 VAL A 26 3.786 -8.231 6.971 1.00 0.00 C ATOM 0 H VAL A 26 4.485 -10.815 6.147 1.00 0.00 H new ATOM 0 HA VAL A 26 6.439 -8.934 4.907 1.00 0.00 H new ATOM 0 HB VAL A 26 5.245 -7.127 5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.171 -7.185 4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.569 -7.809 3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.374 -8.939 4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.062 -7.417 6.990 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.260 -9.183 6.903 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.380 -8.210 7.884 1.00 0.00 H new ATOM 385 N LEU A 27 7.244 -8.271 7.337 1.00 0.00 N ATOM 386 CA LEU A 27 8.056 -8.265 8.542 1.00 0.00 C ATOM 387 C LEU A 27 7.776 -6.986 9.334 1.00 0.00 C ATOM 388 O LEU A 27 7.132 -6.068 8.829 1.00 0.00 O ATOM 389 CB LEU A 27 9.533 -8.462 8.194 1.00 0.00 C ATOM 390 CG LEU A 27 10.509 -8.434 9.372 1.00 0.00 C ATOM 391 CD1 LEU A 27 10.180 -9.535 10.383 1.00 0.00 C ATOM 392 CD2 LEU A 27 11.957 -8.516 8.887 1.00 0.00 C ATOM 0 H LEU A 27 7.267 -7.402 6.803 1.00 0.00 H new ATOM 0 HA LEU A 27 7.789 -9.104 9.185 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.641 -9.418 7.681 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.826 -7.686 7.487 1.00 0.00 H new ATOM 0 HG LEU A 27 10.396 -7.480 9.886 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.889 -9.493 11.210 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.169 -9.389 10.763 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.248 -10.508 9.896 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.630 -8.494 9.744 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.104 -9.444 8.334 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.171 -7.668 8.236 1.00 0.00 H new ATOM 404 N LYS A 28 8.275 -6.967 10.561 1.00 0.00 N ATOM 405 CA LYS A 28 8.086 -5.816 11.428 1.00 0.00 C ATOM 406 C LYS A 28 9.079 -4.720 11.035 1.00 0.00 C ATOM 407 O LYS A 28 10.265 -4.989 10.850 1.00 0.00 O ATOM 408 CB LYS A 28 8.178 -6.231 12.897 1.00 0.00 C ATOM 409 CG LYS A 28 8.185 -5.005 13.814 1.00 0.00 C ATOM 410 CD LYS A 28 9.282 -5.120 14.874 1.00 0.00 C ATOM 411 CE LYS A 28 8.706 -5.593 16.210 1.00 0.00 C ATOM 412 NZ LYS A 28 9.470 -6.753 16.722 1.00 0.00 N ATOM 0 H LYS A 28 8.810 -7.730 10.976 1.00 0.00 H new ATOM 0 HA LYS A 28 7.086 -5.402 11.300 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.335 -6.874 13.150 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.084 -6.815 13.058 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.340 -4.104 13.221 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.214 -4.904 14.299 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.047 -5.819 14.536 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.768 -4.153 15.005 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.739 -4.780 16.935 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.658 -5.867 16.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.066 -7.062 17.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.417 -7.533 16.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.464 -6.480 16.860 1.00 0.00 H new ATOM 426 N ASP A 29 8.558 -3.507 10.920 1.00 0.00 N ATOM 427 CA ASP A 29 9.384 -2.369 10.553 1.00 0.00 C ATOM 428 C ASP A 29 9.594 -2.365 9.038 1.00 0.00 C ATOM 429 O ASP A 29 10.615 -1.882 8.550 1.00 0.00 O ATOM 430 CB ASP A 29 10.758 -2.448 11.221 1.00 0.00 C ATOM 431 CG ASP A 29 11.417 -1.097 11.506 1.00 0.00 C ATOM 432 OD1 ASP A 29 10.803 -0.315 12.264 1.00 0.00 O ATOM 433 OD2 ASP A 29 12.519 -0.876 10.960 1.00 0.00 O ATOM 0 H ASP A 29 7.574 -3.287 11.075 1.00 0.00 H new ATOM 0 HA ASP A 29 8.875 -1.463 10.881 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.658 -2.992 12.160 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.422 -3.032 10.584 1.00 0.00 H new ATOM 438 N GLU A 30 8.611 -2.909 8.335 1.00 0.00 N ATOM 439 CA GLU A 30 8.676 -2.973 6.884 1.00 0.00 C ATOM 440 C GLU A 30 7.665 -2.006 6.264 1.00 0.00 C ATOM 441 O GLU A 30 6.791 -1.488 6.957 1.00 0.00 O ATOM 442 CB GLU A 30 8.443 -4.402 6.389 1.00 0.00 C ATOM 443 CG GLU A 30 9.768 -5.148 6.225 1.00 0.00 C ATOM 444 CD GLU A 30 9.665 -6.215 5.133 1.00 0.00 C ATOM 445 OE1 GLU A 30 8.521 -6.635 4.855 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.733 -6.588 4.601 1.00 0.00 O ATOM 0 H GLU A 30 7.766 -3.309 8.743 1.00 0.00 H new ATOM 0 HA GLU A 30 9.676 -2.672 6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.806 -4.936 7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.914 -4.379 5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.559 -4.441 5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.046 -5.615 7.170 1.00 0.00 H new ATOM 453 N VAL A 31 7.819 -1.792 4.966 1.00 0.00 N ATOM 454 CA VAL A 31 6.931 -0.896 4.245 1.00 0.00 C ATOM 455 C VAL A 31 6.477 -1.570 2.948 1.00 0.00 C ATOM 456 O VAL A 31 7.285 -1.803 2.050 1.00 0.00 O ATOM 457 CB VAL A 31 7.622 0.448 4.010 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.840 1.299 3.007 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.821 1.200 5.328 1.00 0.00 C ATOM 0 H VAL A 31 8.545 -2.224 4.395 1.00 0.00 H new ATOM 0 HA VAL A 31 6.037 -0.688 4.834 1.00 0.00 H new ATOM 0 HB VAL A 31 8.606 0.249 3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.353 2.249 2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.772 0.770 2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.837 1.485 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.314 2.152 5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.852 1.382 5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.439 0.602 5.998 1.00 0.00 H new ATOM 469 N LEU A 32 5.187 -1.864 2.892 1.00 0.00 N ATOM 470 CA LEU A 32 4.616 -2.506 1.720 1.00 0.00 C ATOM 471 C LEU A 32 3.803 -1.481 0.927 1.00 0.00 C ATOM 472 O LEU A 32 3.573 -0.368 1.397 1.00 0.00 O ATOM 473 CB LEU A 32 3.815 -3.745 2.125 1.00 0.00 C ATOM 474 CG LEU A 32 4.630 -4.927 2.654 1.00 0.00 C ATOM 475 CD1 LEU A 32 5.794 -5.254 1.717 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.102 -4.670 4.087 1.00 0.00 C ATOM 0 H LEU A 32 4.520 -1.670 3.639 1.00 0.00 H new ATOM 0 HA LEU A 32 5.406 -2.866 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.095 -3.454 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.243 -4.082 1.261 1.00 0.00 H new ATOM 0 HG LEU A 32 3.983 -5.804 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.357 -6.098 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.406 -5.511 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.449 -4.387 1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.679 -5.525 4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.727 -3.777 4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.237 -4.524 4.734 1.00 0.00 H new ATOM 488 N GLU A 33 3.391 -1.892 -0.263 1.00 0.00 N ATOM 489 CA GLU A 33 2.609 -1.023 -1.126 1.00 0.00 C ATOM 490 C GLU A 33 1.122 -1.370 -1.021 1.00 0.00 C ATOM 491 O GLU A 33 0.731 -2.515 -1.239 1.00 0.00 O ATOM 492 CB GLU A 33 3.091 -1.111 -2.575 1.00 0.00 C ATOM 493 CG GLU A 33 3.242 0.282 -3.188 1.00 0.00 C ATOM 494 CD GLU A 33 2.003 1.138 -2.917 1.00 0.00 C ATOM 495 OE1 GLU A 33 0.896 0.559 -2.949 1.00 0.00 O ATOM 496 OE2 GLU A 33 2.192 2.352 -2.683 1.00 0.00 O ATOM 0 H GLU A 33 3.584 -2.816 -0.650 1.00 0.00 H new ATOM 0 HA GLU A 33 2.747 0.006 -0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.046 -1.634 -2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.383 -1.696 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.124 0.771 -2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.400 0.195 -4.263 1.00 0.00 H new ATOM 503 N VAL A 34 0.334 -0.358 -0.687 1.00 0.00 N ATOM 504 CA VAL A 34 -1.101 -0.542 -0.551 1.00 0.00 C ATOM 505 C VAL A 34 -1.777 -0.264 -1.895 1.00 0.00 C ATOM 506 O VAL A 34 -1.625 0.819 -2.459 1.00 0.00 O ATOM 507 CB VAL A 34 -1.636 0.340 0.580 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.549 1.821 0.208 1.00 0.00 C ATOM 509 CG2 VAL A 34 -3.069 -0.050 0.948 1.00 0.00 C ATOM 0 H VAL A 34 0.662 0.591 -0.507 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.330 -1.573 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.009 0.178 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.935 2.426 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.509 2.088 0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.140 2.006 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.425 0.592 1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.714 0.069 0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.090 -1.089 1.276 1.00 0.00 H new ATOM 519 N LEU A 35 -2.508 -1.261 -2.371 1.00 0.00 N ATOM 520 CA LEU A 35 -3.207 -1.138 -3.639 1.00 0.00 C ATOM 521 C LEU A 35 -4.716 -1.128 -3.385 1.00 0.00 C ATOM 522 O LEU A 35 -5.449 -0.368 -4.016 1.00 0.00 O ATOM 523 CB LEU A 35 -2.754 -2.232 -4.609 1.00 0.00 C ATOM 524 CG LEU A 35 -1.376 -2.838 -4.339 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.121 -4.044 -5.246 1.00 0.00 C ATOM 526 CD2 LEU A 35 -0.277 -1.782 -4.469 1.00 0.00 C ATOM 0 H LEU A 35 -2.632 -2.158 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.958 -0.193 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.492 -3.034 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.756 -1.819 -5.618 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.357 -3.198 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.135 -4.456 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.880 -4.805 -5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.167 -3.731 -6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.692 -2.240 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.286 -1.370 -5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.454 -0.982 -3.750 1.00 0.00 H new ATOM 538 N GLU A 36 -5.134 -1.979 -2.461 1.00 0.00 N ATOM 539 CA GLU A 36 -6.542 -2.077 -2.116 1.00 0.00 C ATOM 540 C GLU A 36 -6.733 -1.901 -0.608 1.00 0.00 C ATOM 541 O GLU A 36 -6.086 -2.581 0.187 1.00 0.00 O ATOM 542 CB GLU A 36 -7.132 -3.406 -2.592 1.00 0.00 C ATOM 543 CG GLU A 36 -7.890 -3.229 -3.909 1.00 0.00 C ATOM 544 CD GLU A 36 -9.219 -3.988 -3.883 1.00 0.00 C ATOM 545 OE1 GLU A 36 -9.170 -5.209 -3.620 1.00 0.00 O ATOM 546 OE2 GLU A 36 -10.253 -3.330 -4.127 1.00 0.00 O ATOM 0 H GLU A 36 -4.522 -2.608 -1.940 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.077 -1.276 -2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.333 -4.136 -2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.805 -3.802 -1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.075 -2.170 -4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.278 -3.588 -4.736 1.00 0.00 H new ATOM 553 N ASP A 37 -7.625 -0.984 -0.260 1.00 0.00 N ATOM 554 CA ASP A 37 -7.909 -0.710 1.139 1.00 0.00 C ATOM 555 C ASP A 37 -9.403 -0.426 1.305 1.00 0.00 C ATOM 556 O ASP A 37 -10.156 -0.458 0.333 1.00 0.00 O ATOM 557 CB ASP A 37 -7.137 0.517 1.627 1.00 0.00 C ATOM 558 CG ASP A 37 -7.739 1.864 1.222 1.00 0.00 C ATOM 559 OD1 ASP A 37 -7.777 2.123 -0.001 1.00 0.00 O ATOM 560 OD2 ASP A 37 -8.146 2.604 2.143 1.00 0.00 O ATOM 0 H ASP A 37 -8.160 -0.422 -0.922 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.608 -1.581 1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.072 0.478 2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.118 0.462 1.244 1.00 0.00 H new ATOM 565 N GLY A 38 -9.787 -0.153 2.543 1.00 0.00 N ATOM 566 CA GLY A 38 -11.177 0.137 2.849 1.00 0.00 C ATOM 567 C GLY A 38 -11.895 -1.109 3.374 1.00 0.00 C ATOM 568 O GLY A 38 -13.047 -1.033 3.798 1.00 0.00 O ATOM 0 H GLY A 38 -9.159 -0.127 3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.231 0.932 3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.682 0.502 1.954 1.00 0.00 H new ATOM 572 N ARG A 39 -11.183 -2.226 3.328 1.00 0.00 N ATOM 573 CA ARG A 39 -11.737 -3.485 3.794 1.00 0.00 C ATOM 574 C ARG A 39 -10.942 -4.004 4.994 1.00 0.00 C ATOM 575 O ARG A 39 -9.833 -3.541 5.255 1.00 0.00 O ATOM 576 CB ARG A 39 -11.719 -4.539 2.685 1.00 0.00 C ATOM 577 CG ARG A 39 -13.081 -5.225 2.558 1.00 0.00 C ATOM 578 CD ARG A 39 -12.977 -6.498 1.716 1.00 0.00 C ATOM 579 NE ARG A 39 -14.329 -7.027 1.429 1.00 0.00 N ATOM 580 CZ ARG A 39 -15.126 -6.565 0.455 1.00 0.00 C ATOM 581 NH1 ARG A 39 -14.711 -5.562 -0.330 1.00 0.00 N ATOM 582 NH2 ARG A 39 -16.337 -7.105 0.268 1.00 0.00 N ATOM 0 H ARG A 39 -10.228 -2.285 2.975 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.770 -3.303 4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.454 -4.070 1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.952 -5.283 2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -13.462 -5.470 3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.796 -4.540 2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.455 -6.285 0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.389 -7.247 2.246 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.676 -7.791 2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.789 -5.150 -0.187 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.317 -5.210 -1.071 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.653 -7.868 0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.943 -6.753 -0.473 1.00 0.00 H new ATOM 596 N GLN A 40 -11.539 -4.959 5.691 1.00 0.00 N ATOM 597 CA GLN A 40 -10.900 -5.545 6.857 1.00 0.00 C ATOM 598 C GLN A 40 -9.411 -5.772 6.588 1.00 0.00 C ATOM 599 O GLN A 40 -8.562 -5.110 7.183 1.00 0.00 O ATOM 600 CB GLN A 40 -11.589 -6.850 7.261 1.00 0.00 C ATOM 601 CG GLN A 40 -13.041 -6.599 7.671 1.00 0.00 C ATOM 602 CD GLN A 40 -13.493 -7.605 8.733 1.00 0.00 C ATOM 603 OE1 GLN A 40 -12.951 -7.682 9.823 1.00 0.00 O ATOM 604 NE2 GLN A 40 -14.514 -8.369 8.354 1.00 0.00 N ATOM 0 H GLN A 40 -12.458 -5.342 5.471 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.997 -4.848 7.689 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.559 -7.554 6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.048 -7.310 8.088 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.143 -5.585 8.058 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.688 -6.673 6.797 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.921 -8.252 7.426 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.889 -9.071 8.991 1.00 0.00 H new ATOM 613 N TRP A 41 -9.140 -6.709 5.692 1.00 0.00 N ATOM 614 CA TRP A 41 -7.768 -7.031 5.337 1.00 0.00 C ATOM 615 C TRP A 41 -7.420 -6.269 4.057 1.00 0.00 C ATOM 616 O TRP A 41 -8.176 -6.298 3.088 1.00 0.00 O ATOM 617 CB TRP A 41 -7.577 -8.544 5.204 1.00 0.00 C ATOM 618 CG TRP A 41 -7.843 -9.321 6.495 1.00 0.00 C ATOM 619 CD1 TRP A 41 -8.934 -9.281 7.272 1.00 0.00 C ATOM 620 CD2 TRP A 41 -6.952 -10.262 7.131 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.812 -10.124 8.358 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.569 -10.739 8.269 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.668 -10.695 6.756 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -6.977 -11.675 9.127 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -5.090 -11.630 7.623 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.698 -12.121 8.773 1.00 0.00 C ATOM 0 H TRP A 41 -9.847 -7.256 5.201 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.082 -6.719 6.125 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.242 -8.917 4.424 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.557 -8.744 4.876 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.800 -8.667 7.073 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.506 -10.269 9.091 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.167 -10.335 5.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.480 -12.033 10.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.103 -11.995 7.382 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.186 -12.844 9.391 1.00 0.00 H new ATOM 637 N TRP A 42 -6.274 -5.606 4.095 1.00 0.00 N ATOM 638 CA TRP A 42 -5.816 -4.837 2.950 1.00 0.00 C ATOM 639 C TRP A 42 -4.969 -5.759 2.070 1.00 0.00 C ATOM 640 O TRP A 42 -4.473 -6.784 2.536 1.00 0.00 O ATOM 641 CB TRP A 42 -5.064 -3.582 3.398 1.00 0.00 C ATOM 642 CG TRP A 42 -5.881 -2.656 4.301 1.00 0.00 C ATOM 643 CD1 TRP A 42 -7.173 -2.763 4.640 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.405 -1.469 4.971 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.563 -1.737 5.476 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.454 -0.925 5.683 1.00 0.00 C ATOM 647 CE3 TRP A 42 -4.131 -0.876 4.974 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -6.336 0.239 6.452 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -4.030 0.287 5.748 1.00 0.00 C ATOM 650 CH2 TRP A 42 -5.076 0.848 6.471 1.00 0.00 C ATOM 0 H TRP A 42 -5.649 -5.585 4.901 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.661 -4.476 2.364 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.159 -3.882 3.926 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.748 -3.026 2.515 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.827 -3.553 4.301 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.494 -1.600 5.870 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.296 -1.284 4.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.173 0.645 7.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.071 0.783 5.786 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.917 1.749 7.045 1.00 0.00 H new ATOM 661 N LYS A 43 -4.830 -5.362 0.814 1.00 0.00 N ATOM 662 CA LYS A 43 -4.053 -6.140 -0.136 1.00 0.00 C ATOM 663 C LYS A 43 -2.763 -5.388 -0.469 1.00 0.00 C ATOM 664 O LYS A 43 -2.770 -4.465 -1.283 1.00 0.00 O ATOM 665 CB LYS A 43 -4.897 -6.486 -1.363 1.00 0.00 C ATOM 666 CG LYS A 43 -4.300 -7.673 -2.122 1.00 0.00 C ATOM 667 CD LYS A 43 -4.904 -7.788 -3.523 1.00 0.00 C ATOM 668 CE LYS A 43 -4.039 -8.673 -4.423 1.00 0.00 C ATOM 669 NZ LYS A 43 -4.884 -9.609 -5.197 1.00 0.00 N ATOM 0 H LYS A 43 -5.243 -4.511 0.432 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.762 -7.095 0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.915 -6.722 -1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.957 -5.621 -2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.219 -7.555 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.482 -8.593 -1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.909 -8.204 -3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.998 -6.796 -3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.458 -8.051 -5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.327 -9.233 -3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.281 -10.202 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.420 -10.215 -4.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.546 -9.069 -5.790 1.00 0.00 H new ATOM 683 N LEU A 44 -1.686 -5.810 0.178 1.00 0.00 N ATOM 684 CA LEU A 44 -0.391 -5.188 -0.040 1.00 0.00 C ATOM 685 C LEU A 44 0.401 -6.010 -1.059 1.00 0.00 C ATOM 686 O LEU A 44 0.027 -7.138 -1.376 1.00 0.00 O ATOM 687 CB LEU A 44 0.339 -4.990 1.290 1.00 0.00 C ATOM 688 CG LEU A 44 -0.449 -4.269 2.386 1.00 0.00 C ATOM 689 CD1 LEU A 44 -0.793 -2.839 1.964 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.694 -5.065 2.781 1.00 0.00 C ATOM 0 H LEU A 44 -1.684 -6.575 0.853 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.515 -4.190 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.637 -5.968 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.254 -4.430 1.100 1.00 0.00 H new ATOM 0 HG LEU A 44 0.183 -4.200 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.353 -2.349 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.126 -2.285 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.398 -2.863 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.235 -4.530 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.339 -5.188 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.396 -6.045 3.153 1.00 0.00 H new ATOM 702 N ARG A 45 1.480 -5.414 -1.543 1.00 0.00 N ATOM 703 CA ARG A 45 2.328 -6.077 -2.519 1.00 0.00 C ATOM 704 C ARG A 45 3.803 -5.865 -2.173 1.00 0.00 C ATOM 705 O ARG A 45 4.234 -4.735 -1.948 1.00 0.00 O ATOM 706 CB ARG A 45 2.060 -5.549 -3.930 1.00 0.00 C ATOM 707 CG ARG A 45 2.969 -6.233 -4.953 1.00 0.00 C ATOM 708 CD ARG A 45 3.313 -5.284 -6.102 1.00 0.00 C ATOM 709 NE ARG A 45 4.364 -4.333 -5.676 1.00 0.00 N ATOM 710 CZ ARG A 45 4.814 -3.322 -6.431 1.00 0.00 C ATOM 711 NH1 ARG A 45 4.307 -3.123 -7.656 1.00 0.00 N ATOM 712 NH2 ARG A 45 5.770 -2.509 -5.962 1.00 0.00 N ATOM 0 H ARG A 45 1.787 -4.478 -1.277 1.00 0.00 H new ATOM 0 HA ARG A 45 2.095 -7.142 -2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.016 -5.720 -4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.223 -4.472 -3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.885 -6.566 -4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.476 -7.122 -5.346 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.655 -5.854 -6.965 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.422 -4.739 -6.413 1.00 0.00 H new ATOM 0 HE ARG A 45 4.771 -4.455 -4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.579 -3.741 -8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.650 -2.353 -8.231 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.156 -2.660 -5.030 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.112 -1.739 -6.537 1.00 0.00 H new ATOM 726 N SER A 46 4.535 -6.968 -2.142 1.00 0.00 N ATOM 727 CA SER A 46 5.953 -6.916 -1.828 1.00 0.00 C ATOM 728 C SER A 46 6.742 -6.432 -3.046 1.00 0.00 C ATOM 729 O SER A 46 6.217 -6.401 -4.158 1.00 0.00 O ATOM 730 CB SER A 46 6.466 -8.284 -1.372 1.00 0.00 C ATOM 731 OG SER A 46 6.122 -9.317 -2.292 1.00 0.00 O ATOM 0 H SER A 46 4.173 -7.903 -2.329 1.00 0.00 H new ATOM 0 HA SER A 46 6.096 -6.212 -1.008 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.549 -8.246 -1.259 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.051 -8.519 -0.392 1.00 0.00 H new ATOM 0 HG SER A 46 6.468 -10.174 -1.966 1.00 0.00 H new ATOM 737 N ARG A 47 7.990 -6.067 -2.795 1.00 0.00 N ATOM 738 CA ARG A 47 8.857 -5.585 -3.857 1.00 0.00 C ATOM 739 C ARG A 47 9.204 -6.726 -4.816 1.00 0.00 C ATOM 740 O ARG A 47 9.747 -6.491 -5.895 1.00 0.00 O ATOM 741 CB ARG A 47 10.149 -4.994 -3.289 1.00 0.00 C ATOM 742 CG ARG A 47 9.850 -3.829 -2.344 1.00 0.00 C ATOM 743 CD ARG A 47 9.321 -2.619 -3.116 1.00 0.00 C ATOM 744 NE ARG A 47 10.402 -1.624 -3.299 1.00 0.00 N ATOM 745 CZ ARG A 47 10.193 -0.332 -3.586 1.00 0.00 C ATOM 746 NH1 ARG A 47 8.943 0.130 -3.723 1.00 0.00 N ATOM 747 NH2 ARG A 47 11.234 0.498 -3.735 1.00 0.00 N ATOM 0 H ARG A 47 8.422 -6.095 -1.871 1.00 0.00 H new ATOM 0 HA ARG A 47 8.320 -4.803 -4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.703 -5.767 -2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.786 -4.651 -4.105 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.117 -4.139 -1.600 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.755 -3.553 -1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.938 -2.935 -4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.488 -2.168 -2.576 1.00 0.00 H new ATOM 0 HE ARG A 47 11.366 -1.942 -3.200 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.150 -0.502 -3.609 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.784 1.114 -3.941 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.186 0.146 -3.630 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.075 1.482 -3.954 1.00 0.00 H new ATOM 761 N SER A 48 8.877 -7.936 -4.389 1.00 0.00 N ATOM 762 CA SER A 48 9.148 -9.114 -5.196 1.00 0.00 C ATOM 763 C SER A 48 8.100 -9.241 -6.303 1.00 0.00 C ATOM 764 O SER A 48 8.299 -9.975 -7.270 1.00 0.00 O ATOM 765 CB SER A 48 9.169 -10.379 -4.336 1.00 0.00 C ATOM 766 OG SER A 48 10.418 -11.059 -4.417 1.00 0.00 O ATOM 0 H SER A 48 8.426 -8.127 -3.494 1.00 0.00 H new ATOM 0 HA SER A 48 10.133 -9.000 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.967 -10.115 -3.298 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.370 -11.048 -4.656 1.00 0.00 H new ATOM 0 HG SER A 48 10.392 -11.860 -3.853 1.00 0.00 H new ATOM 772 N GLY A 49 7.005 -8.516 -6.124 1.00 0.00 N ATOM 773 CA GLY A 49 5.925 -8.539 -7.096 1.00 0.00 C ATOM 774 C GLY A 49 4.764 -9.406 -6.605 1.00 0.00 C ATOM 775 O GLY A 49 3.804 -9.637 -7.338 1.00 0.00 O ATOM 0 H GLY A 49 6.843 -7.909 -5.320 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.573 -7.524 -7.278 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.294 -8.924 -8.046 1.00 0.00 H new ATOM 779 N GLN A 50 4.891 -9.863 -5.367 1.00 0.00 N ATOM 780 CA GLN A 50 3.864 -10.699 -4.769 1.00 0.00 C ATOM 781 C GLN A 50 2.802 -9.832 -4.091 1.00 0.00 C ATOM 782 O GLN A 50 3.123 -8.811 -3.484 1.00 0.00 O ATOM 783 CB GLN A 50 4.474 -11.693 -3.780 1.00 0.00 C ATOM 784 CG GLN A 50 5.782 -12.274 -4.321 1.00 0.00 C ATOM 785 CD GLN A 50 5.513 -13.271 -5.450 1.00 0.00 C ATOM 786 OE1 GLN A 50 4.403 -13.735 -5.652 1.00 0.00 O ATOM 787 NE2 GLN A 50 6.587 -13.573 -6.173 1.00 0.00 N ATOM 0 H GLN A 50 5.689 -9.670 -4.762 1.00 0.00 H new ATOM 0 HA GLN A 50 3.384 -11.274 -5.561 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.659 -11.196 -2.828 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.767 -12.499 -3.587 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.418 -11.468 -4.687 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.325 -12.769 -3.516 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.487 -13.149 -5.950 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.511 -14.229 -6.950 1.00 0.00 H new ATOM 796 N ALA A 51 1.558 -10.269 -4.217 1.00 0.00 N ATOM 797 CA ALA A 51 0.446 -9.546 -3.623 1.00 0.00 C ATOM 798 C ALA A 51 -0.387 -10.507 -2.774 1.00 0.00 C ATOM 799 O ALA A 51 -0.777 -11.576 -3.241 1.00 0.00 O ATOM 800 CB ALA A 51 -0.378 -8.880 -4.727 1.00 0.00 C ATOM 0 H ALA A 51 1.295 -11.115 -4.722 1.00 0.00 H new ATOM 0 HA ALA A 51 0.810 -8.756 -2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.212 -8.338 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.252 -8.185 -5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.762 -9.642 -5.405 1.00 0.00 H new ATOM 806 N GLY A 52 -0.636 -10.093 -1.540 1.00 0.00 N ATOM 807 CA GLY A 52 -1.416 -10.904 -0.621 1.00 0.00 C ATOM 808 C GLY A 52 -2.175 -10.026 0.376 1.00 0.00 C ATOM 809 O GLY A 52 -1.915 -8.828 0.477 1.00 0.00 O ATOM 0 H GLY A 52 -0.311 -9.206 -1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.121 -11.518 -1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.757 -11.586 -0.083 1.00 0.00 H new ATOM 813 N TYR A 53 -3.098 -10.657 1.088 1.00 0.00 N ATOM 814 CA TYR A 53 -3.896 -9.948 2.074 1.00 0.00 C ATOM 815 C TYR A 53 -3.303 -10.105 3.475 1.00 0.00 C ATOM 816 O TYR A 53 -2.625 -11.092 3.760 1.00 0.00 O ATOM 817 CB TYR A 53 -5.280 -10.600 2.043 1.00 0.00 C ATOM 818 CG TYR A 53 -6.106 -10.249 0.804 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.648 -8.986 0.671 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.309 -11.194 -0.181 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.425 -8.656 -0.496 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.087 -10.863 -1.347 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.606 -9.611 -1.447 1.00 0.00 C ATOM 824 OH TYR A 53 -8.340 -9.298 -2.548 1.00 0.00 O ATOM 0 H TYR A 53 -3.311 -11.651 1.002 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.930 -8.883 1.846 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.162 -11.682 2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.832 -10.298 2.933 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.489 -8.246 1.442 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.885 -12.182 -0.078 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.854 -7.672 -0.613 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.254 -11.594 -2.125 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.385 -10.076 -3.143 1.00 0.00 H new ATOM 834 N VAL A 54 -3.579 -9.117 4.314 1.00 0.00 N ATOM 835 CA VAL A 54 -3.081 -9.133 5.679 1.00 0.00 C ATOM 836 C VAL A 54 -4.027 -8.327 6.571 1.00 0.00 C ATOM 837 O VAL A 54 -4.885 -7.598 6.075 1.00 0.00 O ATOM 838 CB VAL A 54 -1.641 -8.620 5.716 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.646 -9.781 5.772 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.352 -7.708 4.522 1.00 0.00 C ATOM 0 H VAL A 54 -4.141 -8.300 4.075 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.058 -10.152 6.066 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.520 -8.030 6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.370 -9.388 5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.829 -10.374 6.668 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.770 -10.409 4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.321 -7.357 4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.501 -8.263 3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.028 -6.853 4.545 1.00 0.00 H new ATOM 850 N PRO A 55 -3.833 -8.489 7.908 1.00 0.00 N ATOM 851 CA PRO A 55 -4.659 -7.784 8.874 1.00 0.00 C ATOM 852 C PRO A 55 -4.264 -6.309 8.960 1.00 0.00 C ATOM 853 O PRO A 55 -3.108 -5.957 8.727 1.00 0.00 O ATOM 854 CB PRO A 55 -4.456 -8.531 10.183 1.00 0.00 C ATOM 855 CG PRO A 55 -3.176 -9.333 10.011 1.00 0.00 C ATOM 856 CD PRO A 55 -2.827 -9.343 8.532 1.00 0.00 C ATOM 0 HA PRO A 55 -5.713 -7.771 8.597 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.373 -7.837 11.020 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.302 -9.186 10.394 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.367 -8.889 10.591 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.311 -10.350 10.378 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.821 -8.960 8.360 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.858 -10.354 8.125 1.00 0.00 H new ATOM 864 N CYS A 56 -5.245 -5.485 9.296 1.00 0.00 N ATOM 865 CA CYS A 56 -5.015 -4.055 9.416 1.00 0.00 C ATOM 866 C CYS A 56 -4.660 -3.746 10.872 1.00 0.00 C ATOM 867 O CYS A 56 -4.149 -2.669 11.175 1.00 0.00 O ATOM 868 CB CYS A 56 -6.222 -3.246 8.939 1.00 0.00 C ATOM 869 SG CYS A 56 -7.667 -3.587 10.009 1.00 0.00 S ATOM 0 H CYS A 56 -6.202 -5.780 9.489 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.187 -3.762 8.771 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.988 -2.182 8.959 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.456 -3.502 7.906 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.533 -4.302 9.354 1.00 0.00 H new ATOM 875 N ASN A 57 -4.945 -4.711 11.734 1.00 0.00 N ATOM 876 CA ASN A 57 -4.662 -4.555 13.151 1.00 0.00 C ATOM 877 C ASN A 57 -3.149 -4.460 13.357 1.00 0.00 C ATOM 878 O ASN A 57 -2.688 -4.103 14.440 1.00 0.00 O ATOM 879 CB ASN A 57 -5.173 -5.756 13.950 1.00 0.00 C ATOM 880 CG ASN A 57 -4.852 -7.069 13.232 1.00 0.00 C ATOM 881 OD1 ASN A 57 -3.714 -7.501 13.153 1.00 0.00 O ATOM 882 ND2 ASN A 57 -5.916 -7.677 12.715 1.00 0.00 N ATOM 0 H ASN A 57 -5.369 -5.603 11.479 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.163 -3.651 13.497 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.718 -5.758 14.941 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.250 -5.670 14.094 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.807 -8.560 12.216 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.841 -7.260 12.817 1.00 0.00 H new ATOM 889 N ILE A 58 -2.418 -4.784 12.301 1.00 0.00 N ATOM 890 CA ILE A 58 -0.967 -4.739 12.352 1.00 0.00 C ATOM 891 C ILE A 58 -0.467 -3.563 11.511 1.00 0.00 C ATOM 892 O ILE A 58 0.589 -2.999 11.792 1.00 0.00 O ATOM 893 CB ILE A 58 -0.374 -6.087 11.937 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.603 -6.352 10.448 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.919 -7.218 12.812 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.219 -7.551 9.972 1.00 0.00 C ATOM 0 H ILE A 58 -2.804 -5.079 11.404 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.628 -4.568 13.374 1.00 0.00 H new ATOM 0 HB ILE A 58 0.704 -6.049 12.094 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.662 -6.537 10.267 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.331 -5.468 9.871 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.482 -8.165 12.496 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.661 -7.029 13.854 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.003 -7.267 12.710 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.038 -7.718 8.910 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.279 -7.352 10.133 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.073 -8.438 10.534 1.00 0.00 H new ATOM 908 N LEU A 59 -1.250 -3.227 10.497 1.00 0.00 N ATOM 909 CA LEU A 59 -0.901 -2.128 9.613 1.00 0.00 C ATOM 910 C LEU A 59 -0.902 -0.821 10.407 1.00 0.00 C ATOM 911 O LEU A 59 -1.328 -0.791 11.561 1.00 0.00 O ATOM 912 CB LEU A 59 -1.823 -2.108 8.393 1.00 0.00 C ATOM 913 CG LEU A 59 -1.718 -3.309 7.451 1.00 0.00 C ATOM 914 CD1 LEU A 59 -2.689 -3.173 6.277 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.276 -3.512 6.981 1.00 0.00 C ATOM 0 H LEU A 59 -2.126 -3.697 10.268 1.00 0.00 H new ATOM 0 HA LEU A 59 0.107 -2.261 9.219 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.853 -2.035 8.742 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.615 -1.204 7.821 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.006 -4.203 8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.593 -4.040 5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.710 -3.114 6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.457 -2.268 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.229 -4.372 6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.063 -2.622 6.451 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.367 -3.687 7.844 1.00 0.00 H new ATOM 927 N GLY A 60 -0.421 0.229 9.758 1.00 0.00 N ATOM 928 CA GLY A 60 -0.361 1.537 10.389 1.00 0.00 C ATOM 929 C GLY A 60 -0.370 2.652 9.342 1.00 0.00 C ATOM 930 O GLY A 60 -1.000 2.519 8.294 1.00 0.00 O ATOM 0 H GLY A 60 -0.069 0.201 8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.209 1.659 11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.541 1.611 10.996 1.00 0.00 H new