USER MOD reduce.3.24.130724 H: found=0, std=0, add=362, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 364 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 GLN :FLIP amide:sc= 1.04 F(o=-0.17,f=1) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.116 USER MOD Single : A 16 ASN : amide:sc= -0.625 X(o=-0.63,f=-0.24) USER MOD Single : A 17 TYR OH : rot 151:sc= 0.452 USER MOD Single : A 26 SER OG : rot -1:sc= 1.22 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 8:sc= -0.559! USER MOD Single : A 48 THR OG1 : rot -54:sc= 1.46 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.923 K(o=-0.92,f=-1.8) USER MOD Single : A 58 THR OG1 : rot 98:sc= -0.499 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.792 -11.993 -11.452 1.00 0.00 N ATOM 67 CA LEU A 8 -1.261 -11.388 -10.210 1.00 0.00 C ATOM 68 C LEU A 8 -2.571 -10.638 -10.430 1.00 0.00 C ATOM 69 O LEU A 8 -2.947 -10.347 -11.564 1.00 0.00 O ATOM 70 CB LEU A 8 -0.202 -10.435 -9.652 1.00 0.00 C ATOM 71 CG LEU A 8 1.190 -11.030 -9.440 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.206 -9.930 -9.174 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.174 -12.031 -8.293 1.00 0.00 C ATOM 0 HA LEU A 8 -1.438 -12.187 -9.490 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.113 -9.586 -10.329 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.558 -10.046 -8.698 1.00 0.00 H new ATOM 0 HG LEU A 8 1.482 -11.554 -10.350 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.191 -10.373 -9.026 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.238 -9.251 -10.026 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.918 -9.377 -8.280 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.173 -12.444 -8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.861 -11.530 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.477 -12.837 -8.523 1.00 0.00 H new ATOM 85 N GLU A 9 -3.260 -10.327 -9.336 1.00 0.00 N ATOM 86 CA GLU A 9 -4.527 -9.609 -9.410 1.00 0.00 C ATOM 87 C GLU A 9 -4.304 -8.102 -9.326 1.00 0.00 C ATOM 88 O GLU A 9 -3.634 -7.614 -8.416 1.00 0.00 O ATOM 89 CB GLU A 9 -5.462 -10.062 -8.286 1.00 0.00 C ATOM 90 CG GLU A 9 -5.636 -11.569 -8.209 1.00 0.00 C ATOM 91 CD GLU A 9 -6.343 -12.138 -9.425 1.00 0.00 C ATOM 92 OE1 GLU A 9 -7.339 -11.529 -9.869 1.00 0.00 O ATOM 93 OE2 GLU A 9 -5.901 -13.190 -9.931 1.00 0.00 O ATOM 0 H GLU A 9 -2.962 -10.561 -8.389 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.989 -9.837 -10.371 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.073 -9.701 -7.334 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.438 -9.599 -8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.658 -12.039 -8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.203 -11.820 -7.313 1.00 0.00 H new ATOM 100 N GLN A 10 -4.871 -7.372 -10.281 1.00 0.00 N ATOM 101 CA GLN A 10 -4.733 -5.921 -10.315 1.00 0.00 C ATOM 102 C GLN A 10 -5.852 -5.249 -9.526 1.00 0.00 C ATOM 103 O GLN A 10 -7.033 -5.486 -9.780 1.00 0.00 O ATOM 104 CB GLN A 10 -4.742 -5.421 -11.761 1.00 0.00 C ATOM 105 CG GLN A 10 -3.434 -5.664 -12.496 1.00 0.00 C ATOM 106 CD GLN A 10 -3.187 -4.653 -13.598 1.00 0.00 C ATOM 107 OE1 GLN A 10 -4.213 -4.386 -14.398 1.00 0.00 O flip ATOM 108 NE2 GLN A 10 -2.086 -4.117 -13.730 1.00 0.00 N flip ATOM 0 H GLN A 10 -5.430 -7.761 -11.041 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.781 -5.661 -9.853 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.550 -5.913 -12.302 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.959 -4.353 -11.766 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.610 -5.628 -11.784 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.443 -6.667 -12.923 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.325 -4.351 -13.093 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.935 -3.439 -14.477 1.00 0.00 H new ATOM 117 N TYR A 11 -5.472 -4.411 -8.568 1.00 0.00 N ATOM 118 CA TYR A 11 -6.444 -3.707 -7.739 1.00 0.00 C ATOM 119 C TYR A 11 -6.447 -2.214 -8.053 1.00 0.00 C ATOM 120 O TYR A 11 -5.457 -1.667 -8.540 1.00 0.00 O ATOM 121 CB TYR A 11 -6.136 -3.927 -6.257 1.00 0.00 C ATOM 122 CG TYR A 11 -6.689 -5.223 -5.710 1.00 0.00 C ATOM 123 CD1 TYR A 11 -6.389 -6.438 -6.313 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.511 -5.233 -4.590 1.00 0.00 C ATOM 125 CE1 TYR A 11 -6.892 -7.625 -5.817 1.00 0.00 C ATOM 126 CE2 TYR A 11 -8.018 -6.415 -4.086 1.00 0.00 C ATOM 127 CZ TYR A 11 -7.706 -7.608 -4.703 1.00 0.00 C ATOM 128 OH TYR A 11 -8.210 -8.788 -4.205 1.00 0.00 O ATOM 0 H TYR A 11 -4.499 -4.203 -8.346 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.432 -4.109 -7.961 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.056 -3.913 -6.113 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.545 -3.096 -5.682 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.752 -6.455 -7.185 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.758 -4.300 -4.105 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.650 -8.561 -6.298 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.655 -6.405 -3.214 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.763 -8.601 -3.418 1.00 0.00 H new ATOM 138 N VAL A 12 -7.569 -1.559 -7.771 1.00 0.00 N ATOM 139 CA VAL A 12 -7.704 -0.129 -8.021 1.00 0.00 C ATOM 140 C VAL A 12 -7.850 0.646 -6.716 1.00 0.00 C ATOM 141 O VAL A 12 -8.573 0.228 -5.811 1.00 0.00 O ATOM 142 CB VAL A 12 -8.915 0.172 -8.923 1.00 0.00 C ATOM 143 CG1 VAL A 12 -9.055 1.670 -9.147 1.00 0.00 C ATOM 144 CG2 VAL A 12 -8.788 -0.564 -10.248 1.00 0.00 C ATOM 0 H VAL A 12 -8.398 -1.997 -7.369 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.794 0.190 -8.530 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.816 -0.182 -8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.916 1.863 -9.787 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.196 2.170 -8.189 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.154 2.052 -9.627 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.652 -0.340 -10.873 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.879 -0.243 -10.757 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.741 -1.637 -10.065 1.00 0.00 H new ATOM 154 N VAL A 13 -7.159 1.778 -6.625 1.00 0.00 N ATOM 155 CA VAL A 13 -7.214 2.613 -5.431 1.00 0.00 C ATOM 156 C VAL A 13 -8.563 3.313 -5.311 1.00 0.00 C ATOM 157 O VAL A 13 -9.202 3.628 -6.315 1.00 0.00 O ATOM 158 CB VAL A 13 -6.096 3.673 -5.437 1.00 0.00 C ATOM 159 CG1 VAL A 13 -6.054 4.411 -4.107 1.00 0.00 C ATOM 160 CG2 VAL A 13 -4.752 3.028 -5.740 1.00 0.00 C ATOM 0 H VAL A 13 -6.555 2.138 -7.364 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.074 1.952 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.310 4.398 -6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.258 5.156 -4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.010 4.906 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.864 3.701 -3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.974 3.791 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.527 2.281 -4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.791 2.549 -6.718 1.00 0.00 H new ATOM 170 N VAL A 14 -8.990 3.554 -4.076 1.00 0.00 N ATOM 171 CA VAL A 14 -10.263 4.219 -3.824 1.00 0.00 C ATOM 172 C VAL A 14 -10.050 5.594 -3.200 1.00 0.00 C ATOM 173 O VAL A 14 -10.789 6.537 -3.484 1.00 0.00 O ATOM 174 CB VAL A 14 -11.160 3.380 -2.896 1.00 0.00 C ATOM 175 CG1 VAL A 14 -11.725 2.180 -3.641 1.00 0.00 C ATOM 176 CG2 VAL A 14 -10.386 2.936 -1.664 1.00 0.00 C ATOM 0 H VAL A 14 -8.473 3.299 -3.234 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.757 4.333 -4.789 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.994 4.001 -2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.356 1.599 -2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.317 2.524 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.906 1.556 -4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.036 2.344 -1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.531 2.333 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.036 3.813 -1.119 1.00 0.00 H new ATOM 186 N SER A 15 -9.036 5.701 -2.348 1.00 0.00 N ATOM 187 CA SER A 15 -8.728 6.960 -1.681 1.00 0.00 C ATOM 188 C SER A 15 -7.244 7.294 -1.808 1.00 0.00 C ATOM 189 O SER A 15 -6.417 6.414 -2.041 1.00 0.00 O ATOM 190 CB SER A 15 -9.120 6.889 -0.204 1.00 0.00 C ATOM 191 OG SER A 15 -8.599 7.992 0.517 1.00 0.00 O ATOM 0 H SER A 15 -8.414 4.931 -2.103 1.00 0.00 H new ATOM 0 HA SER A 15 -9.304 7.749 -2.166 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.206 6.872 -0.114 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.750 5.960 0.229 1.00 0.00 H new ATOM 0 HG SER A 15 -8.865 7.923 1.458 1.00 0.00 H new ATOM 197 N ASN A 16 -6.917 8.573 -1.654 1.00 0.00 N ATOM 198 CA ASN A 16 -5.533 9.025 -1.752 1.00 0.00 C ATOM 199 C ASN A 16 -4.745 8.639 -0.505 1.00 0.00 C ATOM 200 O ASN A 16 -5.201 8.847 0.620 1.00 0.00 O ATOM 201 CB ASN A 16 -5.483 10.541 -1.953 1.00 0.00 C ATOM 202 CG ASN A 16 -6.110 11.297 -0.798 1.00 0.00 C ATOM 203 OD1 ASN A 16 -7.294 11.633 -0.831 1.00 0.00 O ATOM 204 ND2 ASN A 16 -5.317 11.569 0.232 1.00 0.00 N ATOM 0 H ASN A 16 -7.590 9.314 -1.461 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.077 8.536 -2.613 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.446 10.856 -2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.000 10.800 -2.877 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.683 12.075 1.038 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.341 11.271 0.217 1.00 0.00 H new ATOM 211 N TYR A 17 -3.560 8.076 -0.711 1.00 0.00 N ATOM 212 CA TYR A 17 -2.708 7.659 0.396 1.00 0.00 C ATOM 213 C TYR A 17 -1.571 8.653 0.613 1.00 0.00 C ATOM 214 O TYR A 17 -1.213 9.412 -0.288 1.00 0.00 O ATOM 215 CB TYR A 17 -2.138 6.265 0.132 1.00 0.00 C ATOM 216 CG TYR A 17 -1.788 5.505 1.392 1.00 0.00 C ATOM 217 CD1 TYR A 17 -2.768 5.162 2.314 1.00 0.00 C ATOM 218 CD2 TYR A 17 -0.476 5.132 1.660 1.00 0.00 C ATOM 219 CE1 TYR A 17 -2.453 4.468 3.467 1.00 0.00 C ATOM 220 CE2 TYR A 17 -0.152 4.437 2.809 1.00 0.00 C ATOM 221 CZ TYR A 17 -1.144 4.108 3.709 1.00 0.00 C ATOM 222 OH TYR A 17 -0.825 3.417 4.856 1.00 0.00 O ATOM 0 H TYR A 17 -3.167 7.898 -1.635 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.318 7.629 1.299 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.864 5.688 -0.441 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.245 6.358 -0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.794 5.442 2.127 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.303 5.390 0.958 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.227 4.209 4.174 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.872 4.153 3.001 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.040 2.855 4.691 1.00 0.00 H new ATOM 333 N GLU A 24 6.329 3.383 1.960 1.00 0.00 N ATOM 334 CA GLU A 24 5.024 3.662 1.374 1.00 0.00 C ATOM 335 C GLU A 24 5.170 4.231 -0.034 1.00 0.00 C ATOM 336 O GLU A 24 6.210 4.792 -0.384 1.00 0.00 O ATOM 337 CB GLU A 24 4.243 4.641 2.253 1.00 0.00 C ATOM 338 CG GLU A 24 3.457 3.967 3.365 1.00 0.00 C ATOM 339 CD GLU A 24 4.352 3.403 4.452 1.00 0.00 C ATOM 340 OE1 GLU A 24 4.652 4.141 5.414 1.00 0.00 O ATOM 341 OE2 GLU A 24 4.751 2.225 4.341 1.00 0.00 O ATOM 0 HA GLU A 24 4.474 2.723 1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.939 5.356 2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.556 5.210 1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.767 4.687 3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.854 3.163 2.943 1.00 0.00 H new ATOM 348 N LEU A 25 4.123 4.082 -0.838 1.00 0.00 N ATOM 349 CA LEU A 25 4.134 4.581 -2.209 1.00 0.00 C ATOM 350 C LEU A 25 3.267 5.829 -2.342 1.00 0.00 C ATOM 351 O LEU A 25 3.492 6.663 -3.218 1.00 0.00 O ATOM 352 CB LEU A 25 3.640 3.498 -3.170 1.00 0.00 C ATOM 353 CG LEU A 25 4.711 2.566 -3.738 1.00 0.00 C ATOM 354 CD1 LEU A 25 4.073 1.470 -4.579 1.00 0.00 C ATOM 355 CD2 LEU A 25 5.721 3.352 -4.561 1.00 0.00 C ATOM 0 H LEU A 25 3.256 3.620 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 25 5.160 4.846 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.897 2.892 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.131 3.984 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 25 5.237 2.098 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.850 0.816 -4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.390 0.888 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.521 1.920 -5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.475 2.672 -4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.210 3.848 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.202 4.099 -3.930 1.00 0.00 H new ATOM 367 N SER A 26 2.276 5.951 -1.464 1.00 0.00 N ATOM 368 CA SER A 26 1.374 7.096 -1.484 1.00 0.00 C ATOM 369 C SER A 26 0.580 7.139 -2.786 1.00 0.00 C ATOM 370 O SER A 26 0.554 8.158 -3.478 1.00 0.00 O ATOM 371 CB SER A 26 2.162 8.396 -1.311 1.00 0.00 C ATOM 372 OG SER A 26 1.315 9.455 -0.899 1.00 0.00 O ATOM 0 H SER A 26 2.078 5.271 -0.730 1.00 0.00 H new ATOM 0 HA SER A 26 0.674 6.991 -0.655 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.952 8.251 -0.574 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.647 8.659 -2.251 1.00 0.00 H new ATOM 0 HG SER A 26 0.395 9.127 -0.823 1.00 0.00 H new ATOM 378 N LEU A 27 -0.067 6.026 -3.115 1.00 0.00 N ATOM 379 CA LEU A 27 -0.863 5.935 -4.334 1.00 0.00 C ATOM 380 C LEU A 27 -1.968 6.986 -4.342 1.00 0.00 C ATOM 381 O LEU A 27 -2.351 7.506 -3.294 1.00 0.00 O ATOM 382 CB LEU A 27 -1.471 4.538 -4.466 1.00 0.00 C ATOM 383 CG LEU A 27 -0.494 3.367 -4.348 1.00 0.00 C ATOM 384 CD1 LEU A 27 -1.233 2.091 -3.976 1.00 0.00 C ATOM 385 CD2 LEU A 27 0.274 3.181 -5.648 1.00 0.00 C ATOM 0 H LEU A 27 -0.056 5.174 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.205 6.120 -5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.238 4.424 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.972 4.471 -5.432 1.00 0.00 H new ATOM 0 HG LEU A 27 0.220 3.593 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.522 1.269 -3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.737 2.228 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.970 1.860 -4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.964 2.344 -5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.426 2.977 -6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.835 4.088 -5.872 1.00 0.00 H new ATOM 397 N GLN A 28 -2.478 7.292 -5.531 1.00 0.00 N ATOM 398 CA GLN A 28 -3.541 8.280 -5.674 1.00 0.00 C ATOM 399 C GLN A 28 -4.879 7.603 -5.954 1.00 0.00 C ATOM 400 O GLN A 28 -4.946 6.387 -6.125 1.00 0.00 O ATOM 401 CB GLN A 28 -3.206 9.260 -6.800 1.00 0.00 C ATOM 402 CG GLN A 28 -2.341 10.427 -6.354 1.00 0.00 C ATOM 403 CD GLN A 28 -1.826 11.250 -7.518 1.00 0.00 C ATOM 404 OE1 GLN A 28 -2.546 11.498 -8.485 1.00 0.00 O ATOM 405 NE2 GLN A 28 -0.572 11.680 -7.431 1.00 0.00 N ATOM 0 H GLN A 28 -2.173 6.870 -6.408 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.622 8.829 -4.736 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.693 8.722 -7.597 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.134 9.647 -7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.918 11.068 -5.688 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.496 10.049 -5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.010 11.451 -6.611 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.171 12.239 -8.184 1.00 0.00 H new ATOM 414 N ALA A 29 -5.941 8.400 -5.998 1.00 0.00 N ATOM 415 CA ALA A 29 -7.277 7.878 -6.258 1.00 0.00 C ATOM 416 C ALA A 29 -7.459 7.546 -7.735 1.00 0.00 C ATOM 417 O ALA A 29 -7.147 8.356 -8.607 1.00 0.00 O ATOM 418 CB ALA A 29 -8.332 8.878 -5.807 1.00 0.00 C ATOM 0 H ALA A 29 -5.902 9.409 -5.857 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.397 6.957 -5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.325 8.475 -6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.224 9.063 -4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.203 9.813 -6.352 1.00 0.00 H new ATOM 424 N GLY A 30 -7.965 6.347 -8.010 1.00 0.00 N ATOM 425 CA GLY A 30 -8.178 5.929 -9.383 1.00 0.00 C ATOM 426 C GLY A 30 -6.928 5.344 -10.011 1.00 0.00 C ATOM 427 O GLY A 30 -6.804 5.301 -11.235 1.00 0.00 O ATOM 0 H GLY A 30 -8.231 5.658 -7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.977 5.189 -9.414 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.511 6.783 -9.972 1.00 0.00 H new ATOM 431 N GLU A 31 -6.001 4.894 -9.172 1.00 0.00 N ATOM 432 CA GLU A 31 -4.754 4.311 -9.654 1.00 0.00 C ATOM 433 C GLU A 31 -4.824 2.787 -9.637 1.00 0.00 C ATOM 434 O GLU A 31 -5.537 2.195 -8.826 1.00 0.00 O ATOM 435 CB GLU A 31 -3.578 4.788 -8.799 1.00 0.00 C ATOM 436 CG GLU A 31 -2.227 4.309 -9.301 1.00 0.00 C ATOM 437 CD GLU A 31 -2.001 4.631 -10.765 1.00 0.00 C ATOM 438 OE1 GLU A 31 -2.392 5.735 -11.198 1.00 0.00 O ATOM 439 OE2 GLU A 31 -1.432 3.779 -11.479 1.00 0.00 O ATOM 0 H GLU A 31 -6.089 4.922 -8.156 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.603 4.639 -10.682 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.580 5.878 -8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.720 4.441 -7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.438 4.769 -8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.150 3.232 -9.154 1.00 0.00 H new ATOM 446 N VAL A 32 -4.079 2.156 -10.540 1.00 0.00 N ATOM 447 CA VAL A 32 -4.056 0.701 -10.630 1.00 0.00 C ATOM 448 C VAL A 32 -2.721 0.142 -10.150 1.00 0.00 C ATOM 449 O VAL A 32 -1.666 0.727 -10.397 1.00 0.00 O ATOM 450 CB VAL A 32 -4.311 0.223 -12.071 1.00 0.00 C ATOM 451 CG1 VAL A 32 -4.471 -1.289 -12.113 1.00 0.00 C ATOM 452 CG2 VAL A 32 -5.536 0.914 -12.652 1.00 0.00 C ATOM 0 H VAL A 32 -3.484 2.630 -11.219 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.854 0.332 -9.986 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.448 0.489 -12.681 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.650 -1.607 -13.140 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.562 -1.762 -11.740 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.315 -1.583 -11.489 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.702 0.565 -13.671 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.409 0.681 -12.042 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.376 1.992 -12.660 1.00 0.00 H new ATOM 462 N VAL A 33 -2.773 -0.994 -9.462 1.00 0.00 N ATOM 463 CA VAL A 33 -1.568 -1.634 -8.949 1.00 0.00 C ATOM 464 C VAL A 33 -1.615 -3.143 -9.158 1.00 0.00 C ATOM 465 O VAL A 33 -2.568 -3.671 -9.730 1.00 0.00 O ATOM 466 CB VAL A 33 -1.372 -1.340 -7.450 1.00 0.00 C ATOM 467 CG1 VAL A 33 -1.344 0.160 -7.199 1.00 0.00 C ATOM 468 CG2 VAL A 33 -2.466 -2.005 -6.629 1.00 0.00 C ATOM 0 H VAL A 33 -3.638 -1.490 -9.247 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.728 -1.220 -9.506 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.413 -1.755 -7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.205 0.348 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.521 0.607 -7.757 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.286 0.601 -7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.312 -1.787 -5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.438 -1.622 -6.940 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.434 -3.083 -6.785 1.00 0.00 H new ATOM 478 N ASP A 34 -0.580 -3.832 -8.689 1.00 0.00 N ATOM 479 CA ASP A 34 -0.504 -5.282 -8.823 1.00 0.00 C ATOM 480 C ASP A 34 -0.158 -5.933 -7.487 1.00 0.00 C ATOM 481 O ASP A 34 0.990 -5.897 -7.046 1.00 0.00 O ATOM 482 CB ASP A 34 0.538 -5.664 -9.875 1.00 0.00 C ATOM 483 CG ASP A 34 -0.054 -5.758 -11.268 1.00 0.00 C ATOM 484 OD1 ASP A 34 -0.198 -4.705 -11.924 1.00 0.00 O ATOM 485 OD2 ASP A 34 -0.372 -6.885 -11.702 1.00 0.00 O ATOM 0 H ASP A 34 0.217 -3.410 -8.213 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.481 -5.645 -9.142 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.340 -4.926 -9.873 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.986 -6.621 -9.608 1.00 0.00 H new ATOM 490 N VAL A 35 -1.161 -6.528 -6.847 1.00 0.00 N ATOM 491 CA VAL A 35 -0.963 -7.188 -5.562 1.00 0.00 C ATOM 492 C VAL A 35 -0.092 -8.430 -5.710 1.00 0.00 C ATOM 493 O VAL A 35 -0.476 -9.394 -6.373 1.00 0.00 O ATOM 494 CB VAL A 35 -2.307 -7.589 -4.925 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.094 -8.104 -3.510 1.00 0.00 C ATOM 496 CG2 VAL A 35 -3.272 -6.413 -4.934 1.00 0.00 C ATOM 0 H VAL A 35 -2.118 -6.566 -7.198 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.460 -6.472 -4.912 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.745 -8.393 -5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.054 -8.382 -3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.440 -8.976 -3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.635 -7.323 -2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.216 -6.714 -4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.844 -5.587 -4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.448 -6.095 -5.962 1.00 0.00 H new ATOM 506 N ILE A 36 1.082 -8.400 -5.089 1.00 0.00 N ATOM 507 CA ILE A 36 2.007 -9.525 -5.150 1.00 0.00 C ATOM 508 C ILE A 36 1.840 -10.440 -3.942 1.00 0.00 C ATOM 509 O ILE A 36 1.526 -11.621 -4.085 1.00 0.00 O ATOM 510 CB ILE A 36 3.470 -9.048 -5.220 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.678 -8.150 -6.442 1.00 0.00 C ATOM 512 CG2 ILE A 36 4.414 -10.239 -5.264 1.00 0.00 C ATOM 513 CD1 ILE A 36 4.933 -7.309 -6.366 1.00 0.00 C ATOM 0 H ILE A 36 1.415 -7.609 -4.538 1.00 0.00 H new ATOM 0 HA ILE A 36 1.770 -10.079 -6.058 1.00 0.00 H new ATOM 0 HB ILE A 36 3.691 -8.468 -4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.720 -8.771 -7.337 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.816 -7.492 -6.551 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.444 -9.885 -5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.280 -10.843 -4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.196 -10.844 -6.144 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.016 -6.698 -7.265 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.885 -6.662 -5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.803 -7.960 -6.288 1.00 0.00 H new ATOM 525 N GLU A 37 2.051 -9.886 -2.752 1.00 0.00 N ATOM 526 CA GLU A 37 1.923 -10.653 -1.519 1.00 0.00 C ATOM 527 C GLU A 37 0.810 -10.089 -0.640 1.00 0.00 C ATOM 528 O GLU A 37 0.222 -9.053 -0.952 1.00 0.00 O ATOM 529 CB GLU A 37 3.246 -10.650 -0.750 1.00 0.00 C ATOM 530 CG GLU A 37 4.141 -11.835 -1.074 1.00 0.00 C ATOM 531 CD GLU A 37 3.662 -13.121 -0.428 1.00 0.00 C ATOM 532 OE1 GLU A 37 2.790 -13.793 -1.018 1.00 0.00 O ATOM 533 OE2 GLU A 37 4.159 -13.455 0.668 1.00 0.00 O ATOM 0 H GLU A 37 2.311 -8.909 -2.616 1.00 0.00 H new ATOM 0 HA GLU A 37 1.668 -11.679 -1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.783 -9.728 -0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.035 -10.646 0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.183 -11.969 -2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.156 -11.621 -0.740 1.00 0.00 H new ATOM 540 N LYS A 38 0.526 -10.778 0.460 1.00 0.00 N ATOM 541 CA LYS A 38 -0.515 -10.347 1.385 1.00 0.00 C ATOM 542 C LYS A 38 -0.153 -10.715 2.821 1.00 0.00 C ATOM 543 O LYS A 38 0.157 -11.868 3.116 1.00 0.00 O ATOM 544 CB LYS A 38 -1.856 -10.981 1.008 1.00 0.00 C ATOM 545 CG LYS A 38 -2.333 -10.610 -0.386 1.00 0.00 C ATOM 546 CD LYS A 38 -3.571 -11.398 -0.779 1.00 0.00 C ATOM 547 CE LYS A 38 -3.731 -11.468 -2.290 1.00 0.00 C ATOM 548 NZ LYS A 38 -3.109 -12.696 -2.858 1.00 0.00 N ATOM 0 H LYS A 38 1.003 -11.638 0.733 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.601 -9.263 1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.768 -12.065 1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.610 -10.676 1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.552 -9.543 -0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.537 -10.798 -1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.506 -12.407 -0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.454 -10.934 -0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.791 -11.447 -2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.277 -10.588 -2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.240 -12.706 -3.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.093 -12.704 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.560 -13.537 -2.444 1.00 0.00 H new ATOM 562 N ASN A 39 -0.196 -9.727 3.709 1.00 0.00 N ATOM 563 CA ASN A 39 0.127 -9.948 5.114 1.00 0.00 C ATOM 564 C ASN A 39 -1.138 -9.953 5.968 1.00 0.00 C ATOM 565 O ASN A 39 -1.995 -9.081 5.830 1.00 0.00 O ATOM 566 CB ASN A 39 1.089 -8.868 5.613 1.00 0.00 C ATOM 567 CG ASN A 39 2.542 -9.254 5.418 1.00 0.00 C ATOM 568 OD1 ASN A 39 2.939 -9.698 4.341 1.00 0.00 O ATOM 569 ND2 ASN A 39 3.344 -9.085 6.463 1.00 0.00 N ATOM 0 H ASN A 39 -0.451 -8.766 3.481 1.00 0.00 H new ATOM 0 HA ASN A 39 0.608 -10.922 5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.890 -7.935 5.085 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.904 -8.681 6.671 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.332 -9.327 6.392 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.972 -8.714 7.337 1.00 0.00 H new ATOM 576 N GLU A 40 -1.245 -10.941 6.851 1.00 0.00 N ATOM 577 CA GLU A 40 -2.404 -11.059 7.727 1.00 0.00 C ATOM 578 C GLU A 40 -2.661 -9.750 8.469 1.00 0.00 C ATOM 579 O GLU A 40 -3.801 -9.428 8.804 1.00 0.00 O ATOM 580 CB GLU A 40 -2.199 -12.195 8.732 1.00 0.00 C ATOM 581 CG GLU A 40 -3.478 -12.633 9.425 1.00 0.00 C ATOM 582 CD GLU A 40 -4.306 -13.580 8.579 1.00 0.00 C ATOM 583 OE1 GLU A 40 -3.713 -14.470 7.933 1.00 0.00 O ATOM 584 OE2 GLU A 40 -5.546 -13.432 8.562 1.00 0.00 O ATOM 0 H GLU A 40 -0.544 -11.670 6.978 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.273 -11.283 7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.764 -13.051 8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.478 -11.877 9.485 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.228 -13.119 10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.074 -11.754 9.668 1.00 0.00 H new ATOM 591 N SER A 41 -1.593 -9.001 8.723 1.00 0.00 N ATOM 592 CA SER A 41 -1.701 -7.730 9.429 1.00 0.00 C ATOM 593 C SER A 41 -2.646 -6.781 8.698 1.00 0.00 C ATOM 594 O SER A 41 -3.388 -6.024 9.321 1.00 0.00 O ATOM 595 CB SER A 41 -0.322 -7.084 9.574 1.00 0.00 C ATOM 596 OG SER A 41 -0.394 -5.892 10.337 1.00 0.00 O ATOM 0 H SER A 41 -0.643 -9.252 8.450 1.00 0.00 H new ATOM 0 HA SER A 41 -2.108 -7.927 10.421 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.363 -7.785 10.052 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.085 -6.864 8.587 1.00 0.00 H new ATOM 0 HG SER A 41 0.501 -5.500 10.416 1.00 0.00 H new ATOM 602 N GLY A 42 -2.611 -6.829 7.369 1.00 0.00 N ATOM 603 CA GLY A 42 -3.468 -5.970 6.574 1.00 0.00 C ATOM 604 C GLY A 42 -2.701 -5.214 5.507 1.00 0.00 C ATOM 605 O GLY A 42 -3.278 -4.776 4.511 1.00 0.00 O ATOM 0 H GLY A 42 -2.005 -7.447 6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.244 -6.573 6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.972 -5.258 7.228 1.00 0.00 H new ATOM 609 N TRP A 43 -1.398 -5.060 5.714 1.00 0.00 N ATOM 610 CA TRP A 43 -0.551 -4.350 4.762 1.00 0.00 C ATOM 611 C TRP A 43 -0.253 -5.219 3.546 1.00 0.00 C ATOM 612 O TRP A 43 0.518 -6.175 3.629 1.00 0.00 O ATOM 613 CB TRP A 43 0.756 -3.922 5.432 1.00 0.00 C ATOM 614 CG TRP A 43 0.583 -2.797 6.407 1.00 0.00 C ATOM 615 CD1 TRP A 43 0.243 -2.901 7.726 1.00 0.00 C ATOM 616 CD2 TRP A 43 0.740 -1.399 6.141 1.00 0.00 C ATOM 617 NE1 TRP A 43 0.179 -1.652 8.295 1.00 0.00 N ATOM 618 CE2 TRP A 43 0.481 -0.714 7.344 1.00 0.00 C ATOM 619 CE3 TRP A 43 1.076 -0.660 5.004 1.00 0.00 C ATOM 620 CZ2 TRP A 43 0.547 0.673 7.439 1.00 0.00 C ATOM 621 CZ3 TRP A 43 1.141 0.717 5.100 1.00 0.00 C ATOM 622 CH2 TRP A 43 0.878 1.372 6.310 1.00 0.00 C ATOM 0 H TRP A 43 -0.905 -5.417 6.532 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.087 -3.462 4.428 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.188 -4.779 5.949 1.00 0.00 H new ATOM 0 HB3 TRP A 43 1.468 -3.621 4.664 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.053 -3.829 8.245 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.055 -1.455 9.268 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.281 -1.156 4.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.344 1.180 8.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.399 1.298 4.227 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.938 2.450 6.353 1.00 0.00 H new ATOM 633 N TRP A 44 -0.867 -4.881 2.418 1.00 0.00 N ATOM 634 CA TRP A 44 -0.666 -5.631 1.184 1.00 0.00 C ATOM 635 C TRP A 44 0.526 -5.088 0.404 1.00 0.00 C ATOM 636 O TRP A 44 0.815 -3.892 0.447 1.00 0.00 O ATOM 637 CB TRP A 44 -1.926 -5.576 0.318 1.00 0.00 C ATOM 638 CG TRP A 44 -2.984 -6.546 0.747 1.00 0.00 C ATOM 639 CD1 TRP A 44 -3.181 -7.042 2.004 1.00 0.00 C ATOM 640 CD2 TRP A 44 -3.990 -7.139 -0.082 1.00 0.00 C ATOM 641 NE1 TRP A 44 -4.248 -7.908 2.007 1.00 0.00 N ATOM 642 CE2 TRP A 44 -4.762 -7.984 0.739 1.00 0.00 C ATOM 643 CE3 TRP A 44 -4.315 -7.038 -1.437 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -5.836 -8.721 0.248 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -5.381 -7.770 -1.924 1.00 0.00 C ATOM 646 CH2 TRP A 44 -6.132 -8.603 -1.083 1.00 0.00 C ATOM 0 H TRP A 44 -1.508 -4.092 2.332 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.461 -6.668 1.449 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.335 -4.566 0.348 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.655 -5.779 -0.718 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.585 -6.790 2.869 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.600 -8.412 2.821 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.743 -6.399 -2.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.415 -9.363 0.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.640 -7.699 -2.970 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.960 -9.162 -1.493 1.00 0.00 H new ATOM 657 N PHE A 45 1.215 -5.973 -0.309 1.00 0.00 N ATOM 658 CA PHE A 45 2.376 -5.581 -1.099 1.00 0.00 C ATOM 659 C PHE A 45 2.037 -5.545 -2.586 1.00 0.00 C ATOM 660 O PHE A 45 2.021 -6.578 -3.256 1.00 0.00 O ATOM 661 CB PHE A 45 3.537 -6.547 -0.852 1.00 0.00 C ATOM 662 CG PHE A 45 4.832 -6.098 -1.466 1.00 0.00 C ATOM 663 CD1 PHE A 45 5.275 -4.795 -1.304 1.00 0.00 C ATOM 664 CD2 PHE A 45 5.606 -6.978 -2.204 1.00 0.00 C ATOM 665 CE1 PHE A 45 6.466 -4.379 -1.869 1.00 0.00 C ATOM 666 CE2 PHE A 45 6.798 -6.568 -2.771 1.00 0.00 C ATOM 667 CZ PHE A 45 7.229 -5.267 -2.602 1.00 0.00 C ATOM 0 H PHE A 45 0.989 -6.967 -0.356 1.00 0.00 H new ATOM 0 HA PHE A 45 2.673 -4.579 -0.789 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.676 -6.668 0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.275 -7.527 -1.252 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.683 -4.097 -0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.274 -7.997 -2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.800 -3.360 -1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.391 -7.264 -3.345 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.161 -4.944 -3.042 1.00 0.00 H new ATOM 677 N VAL A 46 1.764 -4.349 -3.097 1.00 0.00 N ATOM 678 CA VAL A 46 1.425 -4.177 -4.504 1.00 0.00 C ATOM 679 C VAL A 46 2.647 -3.766 -5.318 1.00 0.00 C ATOM 680 O VAL A 46 3.740 -3.604 -4.776 1.00 0.00 O ATOM 681 CB VAL A 46 0.319 -3.121 -4.690 1.00 0.00 C ATOM 682 CG1 VAL A 46 -0.916 -3.493 -3.884 1.00 0.00 C ATOM 683 CG2 VAL A 46 0.828 -1.743 -4.296 1.00 0.00 C ATOM 0 H VAL A 46 1.771 -3.484 -2.557 1.00 0.00 H new ATOM 0 HA VAL A 46 1.061 -5.140 -4.862 1.00 0.00 H new ATOM 0 HB VAL A 46 0.040 -3.093 -5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.686 -2.735 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.291 -4.460 -4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.657 -3.550 -2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.034 -1.009 -4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.135 -1.754 -3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.680 -1.477 -4.922 1.00 0.00 H new ATOM 693 N SER A 47 2.454 -3.599 -6.622 1.00 0.00 N ATOM 694 CA SER A 47 3.541 -3.210 -7.512 1.00 0.00 C ATOM 695 C SER A 47 3.030 -2.313 -8.635 1.00 0.00 C ATOM 696 O SER A 47 2.297 -2.760 -9.519 1.00 0.00 O ATOM 697 CB SER A 47 4.215 -4.451 -8.102 1.00 0.00 C ATOM 698 OG SER A 47 3.307 -5.537 -8.176 1.00 0.00 O ATOM 0 H SER A 47 1.555 -3.727 -7.086 1.00 0.00 H new ATOM 0 HA SER A 47 4.272 -2.651 -6.928 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.596 -4.223 -9.097 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.072 -4.730 -7.488 1.00 0.00 H new ATOM 0 HG SER A 47 2.406 -5.226 -7.949 1.00 0.00 H new ATOM 704 N THR A 48 3.421 -1.043 -8.595 1.00 0.00 N ATOM 705 CA THR A 48 3.002 -0.082 -9.607 1.00 0.00 C ATOM 706 C THR A 48 4.062 0.071 -10.692 1.00 0.00 C ATOM 707 O THR A 48 5.217 -0.308 -10.502 1.00 0.00 O ATOM 708 CB THR A 48 2.717 1.299 -8.986 1.00 0.00 C ATOM 709 OG1 THR A 48 3.943 1.918 -8.584 1.00 0.00 O ATOM 710 CG2 THR A 48 1.790 1.172 -7.787 1.00 0.00 C ATOM 0 H THR A 48 4.028 -0.656 -7.872 1.00 0.00 H new ATOM 0 HA THR A 48 2.085 -0.470 -10.051 1.00 0.00 H new ATOM 0 HB THR A 48 2.229 1.917 -9.739 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.434 1.315 -7.988 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.603 2.160 -7.365 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.846 0.728 -8.102 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.256 0.538 -7.033 1.00 0.00 H new ATOM 718 N SER A 49 3.661 0.630 -11.830 1.00 0.00 N ATOM 719 CA SER A 49 4.576 0.830 -12.947 1.00 0.00 C ATOM 720 C SER A 49 5.812 1.607 -12.505 1.00 0.00 C ATOM 721 O SER A 49 6.890 1.458 -13.079 1.00 0.00 O ATOM 722 CB SER A 49 3.872 1.573 -14.084 1.00 0.00 C ATOM 723 OG SER A 49 4.635 1.521 -15.277 1.00 0.00 O ATOM 0 H SER A 49 2.709 0.952 -12.002 1.00 0.00 H new ATOM 0 HA SER A 49 4.893 -0.150 -13.304 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.890 1.133 -14.257 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.709 2.612 -13.798 1.00 0.00 H new ATOM 0 HG SER A 49 4.163 2.002 -15.989 1.00 0.00 H new ATOM 729 N GLU A 50 5.645 2.437 -11.479 1.00 0.00 N ATOM 730 CA GLU A 50 6.747 3.239 -10.960 1.00 0.00 C ATOM 731 C GLU A 50 7.616 2.420 -10.011 1.00 0.00 C ATOM 732 O GLU A 50 8.787 2.164 -10.290 1.00 0.00 O ATOM 733 CB GLU A 50 6.210 4.477 -10.238 1.00 0.00 C ATOM 734 CG GLU A 50 7.257 5.555 -10.017 1.00 0.00 C ATOM 735 CD GLU A 50 6.802 6.619 -9.037 1.00 0.00 C ATOM 736 OE1 GLU A 50 5.664 7.112 -9.182 1.00 0.00 O ATOM 737 OE2 GLU A 50 7.584 6.957 -8.124 1.00 0.00 O ATOM 0 H GLU A 50 4.759 2.571 -10.992 1.00 0.00 H new ATOM 0 HA GLU A 50 7.360 3.557 -11.803 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.386 4.896 -10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.802 4.176 -9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.174 5.095 -9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.497 6.024 -10.971 1.00 0.00 H new ATOM 744 N GLU A 51 7.034 2.013 -8.887 1.00 0.00 N ATOM 745 CA GLU A 51 7.756 1.224 -7.896 1.00 0.00 C ATOM 746 C GLU A 51 6.801 0.325 -7.116 1.00 0.00 C ATOM 747 O GLU A 51 5.606 0.273 -7.406 1.00 0.00 O ATOM 748 CB GLU A 51 8.510 2.142 -6.932 1.00 0.00 C ATOM 749 CG GLU A 51 9.523 3.044 -7.617 1.00 0.00 C ATOM 750 CD GLU A 51 10.516 3.651 -6.645 1.00 0.00 C ATOM 751 OE1 GLU A 51 10.090 4.073 -5.549 1.00 0.00 O ATOM 752 OE2 GLU A 51 11.718 3.704 -6.980 1.00 0.00 O ATOM 0 H GLU A 51 6.065 2.217 -8.640 1.00 0.00 H new ATOM 0 HA GLU A 51 8.473 0.594 -8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.791 2.760 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.023 1.532 -6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.063 2.471 -8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.997 3.843 -8.140 1.00 0.00 H new ATOM 759 N GLN A 52 7.338 -0.382 -6.127 1.00 0.00 N ATOM 760 CA GLN A 52 6.534 -1.280 -5.306 1.00 0.00 C ATOM 761 C GLN A 52 6.638 -0.910 -3.831 1.00 0.00 C ATOM 762 O GLN A 52 7.731 -0.685 -3.312 1.00 0.00 O ATOM 763 CB GLN A 52 6.979 -2.729 -5.513 1.00 0.00 C ATOM 764 CG GLN A 52 7.182 -3.101 -6.973 1.00 0.00 C ATOM 765 CD GLN A 52 7.592 -4.549 -7.155 1.00 0.00 C ATOM 766 OE1 GLN A 52 7.557 -5.339 -6.212 1.00 0.00 O ATOM 767 NE2 GLN A 52 7.984 -4.905 -8.373 1.00 0.00 N ATOM 0 H GLN A 52 8.326 -0.351 -5.875 1.00 0.00 H new ATOM 0 HA GLN A 52 5.493 -1.179 -5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.910 -2.895 -4.972 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.234 -3.395 -5.077 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.259 -2.917 -7.523 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.945 -2.454 -7.406 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.997 -4.217 -9.126 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.272 -5.866 -8.556 1.00 0.00 H new ATOM 776 N GLY A 53 5.493 -0.847 -3.159 1.00 0.00 N ATOM 777 CA GLY A 53 5.477 -0.503 -1.749 1.00 0.00 C ATOM 778 C GLY A 53 4.448 -1.296 -0.969 1.00 0.00 C ATOM 779 O GLY A 53 3.738 -2.128 -1.534 1.00 0.00 O ATOM 0 H GLY A 53 4.575 -1.028 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.465 -0.680 -1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.269 0.561 -1.641 1.00 0.00 H new ATOM 783 N TRP A 54 4.366 -1.039 0.331 1.00 0.00 N ATOM 784 CA TRP A 54 3.416 -1.738 1.190 1.00 0.00 C ATOM 785 C TRP A 54 2.302 -0.801 1.643 1.00 0.00 C ATOM 786 O TRP A 54 2.525 0.098 2.454 1.00 0.00 O ATOM 787 CB TRP A 54 4.133 -2.324 2.407 1.00 0.00 C ATOM 788 CG TRP A 54 5.014 -3.490 2.072 1.00 0.00 C ATOM 789 CD1 TRP A 54 6.264 -3.442 1.523 1.00 0.00 C ATOM 790 CD2 TRP A 54 4.711 -4.876 2.264 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.756 -4.715 1.362 1.00 0.00 N ATOM 792 CE2 TRP A 54 5.823 -5.612 1.809 1.00 0.00 C ATOM 793 CE3 TRP A 54 3.610 -5.567 2.777 1.00 0.00 C ATOM 794 CZ2 TRP A 54 5.862 -7.003 1.852 1.00 0.00 C ATOM 795 CZ3 TRP A 54 3.650 -6.947 2.818 1.00 0.00 C ATOM 796 CH2 TRP A 54 4.770 -7.654 2.359 1.00 0.00 C ATOM 0 H TRP A 54 4.945 -0.352 0.814 1.00 0.00 H new ATOM 0 HA TRP A 54 2.971 -2.550 0.614 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.735 -1.545 2.875 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.391 -2.637 3.141 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.788 -2.537 1.255 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.668 -4.953 0.973 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.743 -5.031 3.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.724 -7.549 1.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.804 -7.491 3.211 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.771 -8.733 2.406 1.00 0.00 H new ATOM 807 N VAL A 55 1.102 -1.017 1.115 1.00 0.00 N ATOM 808 CA VAL A 55 -0.048 -0.192 1.467 1.00 0.00 C ATOM 809 C VAL A 55 -1.182 -1.042 2.030 1.00 0.00 C ATOM 810 O VAL A 55 -1.283 -2.240 1.766 1.00 0.00 O ATOM 811 CB VAL A 55 -0.567 0.596 0.250 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.324 1.797 -0.027 1.00 0.00 C ATOM 813 CG2 VAL A 55 -0.655 -0.307 -0.971 1.00 0.00 C ATOM 0 H VAL A 55 0.900 -1.756 0.442 1.00 0.00 H new ATOM 0 HA VAL A 55 0.288 0.511 2.229 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.569 0.962 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.058 2.342 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.330 2.454 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.339 1.457 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.024 0.266 -1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.333 -0.704 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.338 -1.131 -0.766 1.00 0.00 H new ATOM 823 N PRO A 56 -2.058 -0.409 2.825 1.00 0.00 N ATOM 824 CA PRO A 56 -3.202 -1.088 3.441 1.00 0.00 C ATOM 825 C PRO A 56 -4.263 -1.478 2.418 1.00 0.00 C ATOM 826 O PRO A 56 -4.631 -0.682 1.556 1.00 0.00 O ATOM 827 CB PRO A 56 -3.754 -0.041 4.412 1.00 0.00 C ATOM 828 CG PRO A 56 -3.327 1.268 3.842 1.00 0.00 C ATOM 829 CD PRO A 56 -1.998 1.018 3.183 1.00 0.00 C ATOM 0 HA PRO A 56 -2.912 -2.023 3.920 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.840 -0.105 4.487 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.356 -0.184 5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.057 1.637 3.121 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.240 2.024 4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.861 1.647 2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.169 1.228 3.858 1.00 0.00 H new ATOM 837 N ALA A 57 -4.752 -2.710 2.522 1.00 0.00 N ATOM 838 CA ALA A 57 -5.774 -3.205 1.607 1.00 0.00 C ATOM 839 C ALA A 57 -6.997 -2.295 1.606 1.00 0.00 C ATOM 840 O ALA A 57 -7.745 -2.243 0.629 1.00 0.00 O ATOM 841 CB ALA A 57 -6.171 -4.626 1.979 1.00 0.00 C ATOM 0 H ALA A 57 -4.457 -3.383 3.230 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.355 -3.208 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.935 -4.983 1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.297 -5.275 1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.566 -4.639 2.995 1.00 0.00 H new ATOM 847 N THR A 58 -7.197 -1.578 2.707 1.00 0.00 N ATOM 848 CA THR A 58 -8.331 -0.671 2.834 1.00 0.00 C ATOM 849 C THR A 58 -8.374 0.321 1.677 1.00 0.00 C ATOM 850 O THR A 58 -9.439 0.818 1.311 1.00 0.00 O ATOM 851 CB THR A 58 -8.282 0.109 4.161 1.00 0.00 C ATOM 852 OG1 THR A 58 -6.983 0.684 4.344 1.00 0.00 O ATOM 853 CG2 THR A 58 -8.609 -0.801 5.335 1.00 0.00 C ATOM 0 H THR A 58 -6.588 -1.608 3.524 1.00 0.00 H new ATOM 0 HA THR A 58 -9.230 -1.287 2.816 1.00 0.00 H new ATOM 0 HB THR A 58 -9.027 0.903 4.118 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.996 1.620 4.055 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.568 -0.228 6.262 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.610 -1.214 5.207 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.884 -1.614 5.379 1.00 0.00 H new ATOM 861 N TYR A 59 -7.209 0.604 1.103 1.00 0.00 N ATOM 862 CA TYR A 59 -7.114 1.538 -0.012 1.00 0.00 C ATOM 863 C TYR A 59 -7.017 0.793 -1.340 1.00 0.00 C ATOM 864 O TYR A 59 -6.380 1.262 -2.284 1.00 0.00 O ATOM 865 CB TYR A 59 -5.899 2.452 0.163 1.00 0.00 C ATOM 866 CG TYR A 59 -6.081 3.503 1.234 1.00 0.00 C ATOM 867 CD1 TYR A 59 -6.091 3.158 2.579 1.00 0.00 C ATOM 868 CD2 TYR A 59 -6.245 4.842 0.900 1.00 0.00 C ATOM 869 CE1 TYR A 59 -6.258 4.115 3.561 1.00 0.00 C ATOM 870 CE2 TYR A 59 -6.411 5.806 1.875 1.00 0.00 C ATOM 871 CZ TYR A 59 -6.417 5.438 3.204 1.00 0.00 C ATOM 872 OH TYR A 59 -6.583 6.395 4.179 1.00 0.00 O ATOM 0 H TYR A 59 -6.318 0.200 1.392 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.019 2.145 -0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.029 1.843 0.408 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.686 2.945 -0.786 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.966 2.123 2.862 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.243 5.134 -0.140 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.264 3.829 4.602 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.535 6.842 1.598 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.680 7.276 3.760 1.00 0.00 H new ATOM 882 N LEU A 60 -7.655 -0.370 -1.406 1.00 0.00 N ATOM 883 CA LEU A 60 -7.643 -1.182 -2.618 1.00 0.00 C ATOM 884 C LEU A 60 -8.997 -1.849 -2.840 1.00 0.00 C ATOM 885 O LEU A 60 -9.628 -2.322 -1.895 1.00 0.00 O ATOM 886 CB LEU A 60 -6.546 -2.245 -2.532 1.00 0.00 C ATOM 887 CG LEU A 60 -5.134 -1.731 -2.248 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.169 -2.892 -2.070 1.00 0.00 C ATOM 889 CD2 LEU A 60 -4.666 -0.812 -3.367 1.00 0.00 C ATOM 0 H LEU A 60 -8.187 -0.772 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.439 -0.526 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.817 -2.955 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.528 -2.797 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.156 -1.159 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.169 -2.507 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.495 -3.511 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.150 -3.492 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.659 -0.456 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.660 -1.360 -4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.343 0.039 -3.446 1.00 0.00 H new ATOM 901 N GLU A 61 -9.435 -1.884 -4.094 1.00 0.00 N ATOM 902 CA GLU A 61 -10.713 -2.494 -4.440 1.00 0.00 C ATOM 903 C GLU A 61 -10.527 -3.594 -5.481 1.00 0.00 C ATOM 904 O GLU A 61 -10.150 -3.326 -6.621 1.00 0.00 O ATOM 905 CB GLU A 61 -11.683 -1.435 -4.968 1.00 0.00 C ATOM 906 CG GLU A 61 -13.144 -1.837 -4.853 1.00 0.00 C ATOM 907 CD GLU A 61 -14.090 -0.684 -5.126 1.00 0.00 C ATOM 908 OE1 GLU A 61 -13.794 0.125 -6.030 1.00 0.00 O ATOM 909 OE2 GLU A 61 -15.126 -0.590 -4.435 1.00 0.00 O ATOM 0 H GLU A 61 -8.924 -1.497 -4.887 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.130 -2.940 -3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.526 -0.506 -4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.452 -1.232 -6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.351 -2.645 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.332 -2.227 -3.853 1.00 0.00 H new ATOM 916 N ALA A 62 -10.794 -4.832 -5.079 1.00 0.00 N ATOM 917 CA ALA A 62 -10.657 -5.973 -5.977 1.00 0.00 C ATOM 918 C ALA A 62 -11.414 -5.739 -7.280 1.00 0.00 C ATOM 919 O ALA A 62 -12.642 -5.818 -7.318 1.00 0.00 O ATOM 920 CB ALA A 62 -11.152 -7.241 -5.298 1.00 0.00 C ATOM 0 H ALA A 62 -11.106 -5.071 -4.138 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.600 -6.091 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.044 -8.085 -5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.565 -7.424 -4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.202 -7.124 -5.029 1.00 0.00 H new