USER MOD reduce.3.24.130724 H: found=0, std=0, add=362, rem=0, adj=10 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 Set 1.1: A 47 SER OG : rot 180:sc= -0.551 USER MOD Set 1.2: A 52 GLN : amide:sc= -1.63 K(o=-2.2,f=-4.5) USER MOD Set 2.1: A 39 ASN : amide:sc= -0.396 K(o=-0.4,f=-0.95!) USER MOD Set 2.2: A 41 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 11 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.07 X(o=-0.07,f=0.017) USER MOD Single : A 15 SER OG : rot -136:sc= 1.36 USER MOD Single : A 16 ASN : amide:sc= 0.165 K(o=0.16,f=-2.5!) USER MOD Single : A 17 TYR OH : rot -84:sc= 0.31 USER MOD Single : A 26 SER OG : rot 48:sc= 0.762 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot -48:sc= 1.09 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.7 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.454 -11.698 -11.477 1.00 0.00 N ATOM 67 CA LEU A 8 -0.871 -11.136 -10.197 1.00 0.00 C ATOM 68 C LEU A 8 -2.211 -10.420 -10.327 1.00 0.00 C ATOM 69 O LEU A 8 -2.605 -10.014 -11.420 1.00 0.00 O ATOM 70 CB LEU A 8 0.190 -10.166 -9.673 1.00 0.00 C ATOM 71 CG LEU A 8 1.619 -10.706 -9.608 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.607 -9.573 -9.375 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.742 -11.757 -8.514 1.00 0.00 C ATOM 0 HA LEU A 8 -0.986 -11.956 -9.489 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.187 -9.279 -10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.102 -9.845 -8.673 1.00 0.00 H new ATOM 0 HG LEU A 8 1.854 -11.175 -10.563 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.619 -9.976 -9.331 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.537 -8.855 -10.192 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.374 -9.075 -8.434 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.765 -12.131 -8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.488 -11.312 -7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.061 -12.582 -8.724 1.00 0.00 H new ATOM 85 N GLU A 9 -2.907 -10.267 -9.204 1.00 0.00 N ATOM 86 CA GLU A 9 -4.202 -9.598 -9.194 1.00 0.00 C ATOM 87 C GLU A 9 -4.032 -8.082 -9.169 1.00 0.00 C ATOM 88 O GLU A 9 -3.399 -7.534 -8.267 1.00 0.00 O ATOM 89 CB GLU A 9 -5.025 -10.050 -7.986 1.00 0.00 C ATOM 90 CG GLU A 9 -5.325 -11.539 -7.976 1.00 0.00 C ATOM 91 CD GLU A 9 -4.156 -12.366 -7.477 1.00 0.00 C ATOM 92 OE1 GLU A 9 -3.878 -12.329 -6.260 1.00 0.00 O ATOM 93 OE2 GLU A 9 -3.519 -13.052 -8.304 1.00 0.00 O ATOM 0 H GLU A 9 -2.595 -10.597 -8.291 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.730 -9.872 -10.107 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.488 -9.790 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.965 -9.499 -7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.194 -11.727 -7.345 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.588 -11.860 -8.984 1.00 0.00 H new ATOM 100 N GLN A 10 -4.601 -7.412 -10.166 1.00 0.00 N ATOM 101 CA GLN A 10 -4.510 -5.959 -10.259 1.00 0.00 C ATOM 102 C GLN A 10 -5.626 -5.292 -9.462 1.00 0.00 C ATOM 103 O GLN A 10 -6.802 -5.403 -9.810 1.00 0.00 O ATOM 104 CB GLN A 10 -4.577 -5.516 -11.722 1.00 0.00 C ATOM 105 CG GLN A 10 -3.304 -5.800 -12.502 1.00 0.00 C ATOM 106 CD GLN A 10 -3.148 -4.901 -13.713 1.00 0.00 C ATOM 107 OE1 GLN A 10 -2.071 -4.360 -13.964 1.00 0.00 O ATOM 108 NE2 GLN A 10 -4.226 -4.737 -14.471 1.00 0.00 N ATOM 0 H GLN A 10 -5.129 -7.851 -10.920 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.553 -5.652 -9.837 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.412 -6.021 -12.208 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.786 -4.447 -11.760 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.444 -5.671 -11.845 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.305 -6.841 -12.825 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.098 -5.205 -14.225 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.182 -4.143 -15.299 1.00 0.00 H new ATOM 117 N TYR A 11 -5.250 -4.601 -8.392 1.00 0.00 N ATOM 118 CA TYR A 11 -6.220 -3.918 -7.543 1.00 0.00 C ATOM 119 C TYR A 11 -6.162 -2.409 -7.756 1.00 0.00 C ATOM 120 O TYR A 11 -5.100 -1.848 -8.025 1.00 0.00 O ATOM 121 CB TYR A 11 -5.963 -4.248 -6.072 1.00 0.00 C ATOM 122 CG TYR A 11 -6.667 -5.500 -5.600 1.00 0.00 C ATOM 123 CD1 TYR A 11 -6.448 -6.721 -6.224 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.553 -5.461 -4.530 1.00 0.00 C ATOM 125 CE1 TYR A 11 -7.090 -7.868 -5.797 1.00 0.00 C ATOM 126 CE2 TYR A 11 -8.198 -6.602 -4.095 1.00 0.00 C ATOM 127 CZ TYR A 11 -7.963 -7.803 -4.731 1.00 0.00 C ATOM 128 OH TYR A 11 -8.605 -8.942 -4.302 1.00 0.00 O ATOM 0 H TYR A 11 -4.281 -4.499 -8.091 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.215 -4.267 -7.818 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.890 -4.364 -5.916 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.285 -3.407 -5.458 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.764 -6.775 -7.058 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.740 -4.522 -4.030 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.909 -8.809 -6.295 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.883 -6.554 -3.261 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.184 -8.725 -3.542 1.00 0.00 H new ATOM 138 N VAL A 12 -7.314 -1.756 -7.631 1.00 0.00 N ATOM 139 CA VAL A 12 -7.396 -0.311 -7.807 1.00 0.00 C ATOM 140 C VAL A 12 -7.537 0.399 -6.466 1.00 0.00 C ATOM 141 O VAL A 12 -8.232 -0.078 -5.569 1.00 0.00 O ATOM 142 CB VAL A 12 -8.582 0.078 -8.709 1.00 0.00 C ATOM 143 CG1 VAL A 12 -8.663 1.589 -8.863 1.00 0.00 C ATOM 144 CG2 VAL A 12 -8.464 -0.599 -10.066 1.00 0.00 C ATOM 0 H VAL A 12 -8.202 -2.205 -7.409 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.468 0.003 -8.285 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.503 -0.265 -8.237 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.507 1.845 -9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.799 2.048 -7.884 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.741 1.959 -9.312 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.310 -0.313 -10.690 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.537 -0.289 -10.548 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.460 -1.681 -9.934 1.00 0.00 H new ATOM 154 N VAL A 13 -6.872 1.543 -6.335 1.00 0.00 N ATOM 155 CA VAL A 13 -6.925 2.321 -5.103 1.00 0.00 C ATOM 156 C VAL A 13 -8.309 2.924 -4.892 1.00 0.00 C ATOM 157 O VAL A 13 -8.993 3.284 -5.850 1.00 0.00 O ATOM 158 CB VAL A 13 -5.879 3.451 -5.108 1.00 0.00 C ATOM 159 CG1 VAL A 13 -5.843 4.153 -3.758 1.00 0.00 C ATOM 160 CG2 VAL A 13 -4.506 2.905 -5.470 1.00 0.00 C ATOM 0 H VAL A 13 -6.291 1.951 -7.067 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.704 1.635 -4.286 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.165 4.183 -5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.098 4.948 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.823 4.580 -3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.582 3.434 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.779 3.718 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.210 2.152 -4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.544 2.454 -6.461 1.00 0.00 H new ATOM 170 N VAL A 14 -8.715 3.033 -3.631 1.00 0.00 N ATOM 171 CA VAL A 14 -10.018 3.595 -3.294 1.00 0.00 C ATOM 172 C VAL A 14 -9.869 4.885 -2.494 1.00 0.00 C ATOM 173 O VAL A 14 -10.756 5.739 -2.504 1.00 0.00 O ATOM 174 CB VAL A 14 -10.867 2.597 -2.484 1.00 0.00 C ATOM 175 CG1 VAL A 14 -11.148 1.347 -3.304 1.00 0.00 C ATOM 176 CG2 VAL A 14 -10.171 2.243 -1.178 1.00 0.00 C ATOM 0 H VAL A 14 -8.161 2.740 -2.826 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.523 3.810 -4.235 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.821 3.068 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.749 0.653 -2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.691 1.620 -4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.206 0.871 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.785 1.537 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.203 1.791 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.027 3.147 -0.586 1.00 0.00 H new ATOM 186 N SER A 15 -8.742 5.020 -1.803 1.00 0.00 N ATOM 187 CA SER A 15 -8.478 6.205 -0.995 1.00 0.00 C ATOM 188 C SER A 15 -7.077 6.746 -1.266 1.00 0.00 C ATOM 189 O SER A 15 -6.147 5.986 -1.532 1.00 0.00 O ATOM 190 CB SER A 15 -8.633 5.879 0.491 1.00 0.00 C ATOM 191 OG SER A 15 -8.071 6.899 1.298 1.00 0.00 O ATOM 0 H SER A 15 -7.997 4.324 -1.786 1.00 0.00 H new ATOM 0 HA SER A 15 -9.203 6.971 -1.269 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.689 5.761 0.732 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.147 4.928 0.711 1.00 0.00 H new ATOM 0 HG SER A 15 -7.557 6.493 2.027 1.00 0.00 H new ATOM 197 N ASN A 16 -6.936 8.066 -1.195 1.00 0.00 N ATOM 198 CA ASN A 16 -5.650 8.711 -1.433 1.00 0.00 C ATOM 199 C ASN A 16 -4.676 8.418 -0.296 1.00 0.00 C ATOM 200 O ASN A 16 -5.005 8.593 0.878 1.00 0.00 O ATOM 201 CB ASN A 16 -5.834 10.222 -1.586 1.00 0.00 C ATOM 202 CG ASN A 16 -6.444 10.858 -0.351 1.00 0.00 C ATOM 203 OD1 ASN A 16 -7.610 10.626 -0.033 1.00 0.00 O ATOM 204 ND2 ASN A 16 -5.655 11.664 0.350 1.00 0.00 N ATOM 0 H ASN A 16 -7.696 8.709 -0.975 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.235 8.307 -2.356 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.868 10.684 -1.790 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.471 10.422 -2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.010 12.120 1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.694 11.827 0.048 1.00 0.00 H new ATOM 211 N TYR A 17 -3.477 7.971 -0.651 1.00 0.00 N ATOM 212 CA TYR A 17 -2.455 7.652 0.339 1.00 0.00 C ATOM 213 C TYR A 17 -1.294 8.640 0.262 1.00 0.00 C ATOM 214 O TYR A 17 -0.964 9.146 -0.811 1.00 0.00 O ATOM 215 CB TYR A 17 -1.941 6.227 0.131 1.00 0.00 C ATOM 216 CG TYR A 17 -1.368 5.601 1.383 1.00 0.00 C ATOM 217 CD1 TYR A 17 -0.100 5.943 1.836 1.00 0.00 C ATOM 218 CD2 TYR A 17 -2.094 4.668 2.112 1.00 0.00 C ATOM 219 CE1 TYR A 17 0.429 5.374 2.978 1.00 0.00 C ATOM 220 CE2 TYR A 17 -1.575 4.095 3.257 1.00 0.00 C ATOM 221 CZ TYR A 17 -0.313 4.451 3.686 1.00 0.00 C ATOM 222 OH TYR A 17 0.208 3.881 4.824 1.00 0.00 O ATOM 0 H TYR A 17 -3.188 7.821 -1.618 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.907 7.727 1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.758 5.605 -0.235 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.175 6.236 -0.644 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.483 6.667 1.285 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.081 4.386 1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.417 5.650 3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.154 3.372 3.813 1.00 0.00 H new ATOM 0 HH TYR A 17 0.770 3.117 4.579 1.00 0.00 H new ATOM 333 N GLU A 24 5.928 3.224 2.332 1.00 0.00 N ATOM 334 CA GLU A 24 4.577 3.420 1.820 1.00 0.00 C ATOM 335 C GLU A 24 4.608 4.061 0.435 1.00 0.00 C ATOM 336 O GLU A 24 5.520 4.823 0.112 1.00 0.00 O ATOM 337 CB GLU A 24 3.766 4.293 2.780 1.00 0.00 C ATOM 338 CG GLU A 24 3.634 3.704 4.174 1.00 0.00 C ATOM 339 CD GLU A 24 2.938 2.356 4.175 1.00 0.00 C ATOM 340 OE1 GLU A 24 1.899 2.226 3.494 1.00 0.00 O ATOM 341 OE2 GLU A 24 3.432 1.433 4.855 1.00 0.00 O ATOM 0 HA GLU A 24 4.101 2.443 1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.237 5.273 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.770 4.447 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.625 3.597 4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.078 4.396 4.806 1.00 0.00 H new ATOM 348 N LEU A 25 3.606 3.747 -0.378 1.00 0.00 N ATOM 349 CA LEU A 25 3.518 4.291 -1.729 1.00 0.00 C ATOM 350 C LEU A 25 2.414 5.339 -1.822 1.00 0.00 C ATOM 351 O LEU A 25 1.262 5.074 -1.480 1.00 0.00 O ATOM 352 CB LEU A 25 3.258 3.169 -2.736 1.00 0.00 C ATOM 353 CG LEU A 25 4.498 2.511 -3.341 1.00 0.00 C ATOM 354 CD1 LEU A 25 4.099 1.376 -4.273 1.00 0.00 C ATOM 355 CD2 LEU A 25 5.341 3.539 -4.081 1.00 0.00 C ATOM 0 H LEU A 25 2.843 3.119 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 25 4.469 4.769 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.665 2.398 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.651 3.570 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 25 5.097 2.096 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.995 0.919 -4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.538 0.627 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.478 1.768 -5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.219 3.052 -4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.751 3.985 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.657 4.318 -3.387 1.00 0.00 H new ATOM 367 N SER A 26 2.773 6.530 -2.290 1.00 0.00 N ATOM 368 CA SER A 26 1.814 7.619 -2.428 1.00 0.00 C ATOM 369 C SER A 26 0.907 7.396 -3.635 1.00 0.00 C ATOM 370 O SER A 26 1.025 8.083 -4.650 1.00 0.00 O ATOM 371 CB SER A 26 2.544 8.957 -2.565 1.00 0.00 C ATOM 372 OG SER A 26 3.336 8.987 -3.739 1.00 0.00 O ATOM 0 H SER A 26 3.722 6.765 -2.580 1.00 0.00 H new ATOM 0 HA SER A 26 1.196 7.641 -1.530 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.818 9.770 -2.591 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.176 9.121 -1.692 1.00 0.00 H new ATOM 0 HG SER A 26 2.804 8.673 -4.500 1.00 0.00 H new ATOM 378 N LEU A 27 0.003 6.430 -3.517 1.00 0.00 N ATOM 379 CA LEU A 27 -0.925 6.114 -4.597 1.00 0.00 C ATOM 380 C LEU A 27 -1.928 7.245 -4.801 1.00 0.00 C ATOM 381 O LEU A 27 -1.832 8.294 -4.166 1.00 0.00 O ATOM 382 CB LEU A 27 -1.664 4.809 -4.296 1.00 0.00 C ATOM 383 CG LEU A 27 -0.801 3.649 -3.798 1.00 0.00 C ATOM 384 CD1 LEU A 27 -1.675 2.485 -3.358 1.00 0.00 C ATOM 385 CD2 LEU A 27 0.174 3.207 -4.880 1.00 0.00 C ATOM 0 H LEU A 27 -0.107 5.852 -2.684 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.349 5.994 -5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.430 5.013 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.180 4.489 -5.202 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.227 3.991 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.044 1.669 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.333 2.808 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.276 2.142 -4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.780 2.381 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.382 2.882 -5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.823 4.041 -5.148 1.00 0.00 H new ATOM 397 N GLN A 28 -2.891 7.022 -5.690 1.00 0.00 N ATOM 398 CA GLN A 28 -3.912 8.021 -5.976 1.00 0.00 C ATOM 399 C GLN A 28 -5.255 7.360 -6.267 1.00 0.00 C ATOM 400 O GLN A 28 -5.311 6.275 -6.845 1.00 0.00 O ATOM 401 CB GLN A 28 -3.490 8.888 -7.164 1.00 0.00 C ATOM 402 CG GLN A 28 -4.198 10.232 -7.218 1.00 0.00 C ATOM 403 CD GLN A 28 -3.719 11.098 -8.367 1.00 0.00 C ATOM 404 OE1 GLN A 28 -4.409 11.247 -9.376 1.00 0.00 O ATOM 405 NE2 GLN A 28 -2.531 11.674 -8.220 1.00 0.00 N ATOM 0 H GLN A 28 -2.985 6.158 -6.224 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.022 8.653 -5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.414 9.055 -7.117 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.688 8.345 -8.088 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.272 10.069 -7.314 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.038 10.761 -6.278 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.993 11.523 -7.367 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.157 12.267 -8.960 1.00 0.00 H new ATOM 414 N ALA A 29 -6.335 8.020 -5.862 1.00 0.00 N ATOM 415 CA ALA A 29 -7.678 7.497 -6.080 1.00 0.00 C ATOM 416 C ALA A 29 -7.910 7.179 -7.553 1.00 0.00 C ATOM 417 O ALA A 29 -8.002 8.080 -8.386 1.00 0.00 O ATOM 418 CB ALA A 29 -8.719 8.488 -5.582 1.00 0.00 C ATOM 0 H ALA A 29 -6.306 8.919 -5.381 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.776 6.570 -5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.717 8.084 -5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.575 8.662 -4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.613 9.429 -6.121 1.00 0.00 H new ATOM 424 N GLY A 30 -8.002 5.890 -7.869 1.00 0.00 N ATOM 425 CA GLY A 30 -8.222 5.477 -9.243 1.00 0.00 C ATOM 426 C GLY A 30 -7.018 4.772 -9.835 1.00 0.00 C ATOM 427 O GLY A 30 -7.139 4.049 -10.824 1.00 0.00 O ATOM 0 H GLY A 30 -7.928 5.125 -7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.086 4.813 -9.286 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.461 6.351 -9.848 1.00 0.00 H new ATOM 431 N GLU A 31 -5.853 4.984 -9.231 1.00 0.00 N ATOM 432 CA GLU A 31 -4.622 4.365 -9.708 1.00 0.00 C ATOM 433 C GLU A 31 -4.706 2.844 -9.615 1.00 0.00 C ATOM 434 O GLU A 31 -5.361 2.300 -8.726 1.00 0.00 O ATOM 435 CB GLU A 31 -3.424 4.870 -8.900 1.00 0.00 C ATOM 436 CG GLU A 31 -2.117 4.851 -9.674 1.00 0.00 C ATOM 437 CD GLU A 31 -2.176 5.680 -10.942 1.00 0.00 C ATOM 438 OE1 GLU A 31 -1.956 6.906 -10.858 1.00 0.00 O ATOM 439 OE2 GLU A 31 -2.443 5.103 -12.016 1.00 0.00 O ATOM 0 H GLU A 31 -5.736 5.579 -8.411 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.489 4.642 -10.754 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.624 5.888 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.316 4.257 -8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.316 5.226 -9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.865 3.822 -9.929 1.00 0.00 H new ATOM 446 N VAL A 32 -4.040 2.162 -10.542 1.00 0.00 N ATOM 447 CA VAL A 32 -4.038 0.705 -10.565 1.00 0.00 C ATOM 448 C VAL A 32 -2.680 0.150 -10.151 1.00 0.00 C ATOM 449 O VAL A 32 -1.638 0.645 -10.578 1.00 0.00 O ATOM 450 CB VAL A 32 -4.396 0.166 -11.963 1.00 0.00 C ATOM 451 CG1 VAL A 32 -4.396 -1.355 -11.965 1.00 0.00 C ATOM 452 CG2 VAL A 32 -5.744 0.708 -12.414 1.00 0.00 C ATOM 0 H VAL A 32 -3.495 2.596 -11.287 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.794 0.376 -9.852 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.639 0.506 -12.669 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.651 -1.718 -12.961 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.407 -1.719 -11.689 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.130 -1.720 -11.247 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.981 0.317 -13.403 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.515 0.400 -11.708 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.703 1.797 -12.454 1.00 0.00 H new ATOM 462 N VAL A 33 -2.700 -0.884 -9.315 1.00 0.00 N ATOM 463 CA VAL A 33 -1.470 -1.509 -8.843 1.00 0.00 C ATOM 464 C VAL A 33 -1.531 -3.025 -8.991 1.00 0.00 C ATOM 465 O VAL A 33 -2.564 -3.580 -9.366 1.00 0.00 O ATOM 466 CB VAL A 33 -1.193 -1.159 -7.368 1.00 0.00 C ATOM 467 CG1 VAL A 33 -1.146 0.349 -7.177 1.00 0.00 C ATOM 468 CG2 VAL A 33 -2.244 -1.787 -6.466 1.00 0.00 C ATOM 0 H VAL A 33 -3.554 -1.306 -8.951 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.660 -1.119 -9.460 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.220 -1.566 -7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.949 0.577 -6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.353 0.769 -7.795 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.102 0.783 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.033 -1.530 -5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.230 -1.411 -6.740 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.223 -2.871 -6.583 1.00 0.00 H new ATOM 478 N ASP A 34 -0.420 -3.688 -8.694 1.00 0.00 N ATOM 479 CA ASP A 34 -0.347 -5.141 -8.793 1.00 0.00 C ATOM 480 C ASP A 34 -0.082 -5.766 -7.427 1.00 0.00 C ATOM 481 O ASP A 34 1.023 -5.669 -6.892 1.00 0.00 O ATOM 482 CB ASP A 34 0.749 -5.553 -9.777 1.00 0.00 C ATOM 483 CG ASP A 34 0.334 -5.354 -11.222 1.00 0.00 C ATOM 484 OD1 ASP A 34 0.310 -4.192 -11.678 1.00 0.00 O ATOM 485 OD2 ASP A 34 0.035 -6.361 -11.897 1.00 0.00 O ATOM 0 H ASP A 34 0.443 -3.243 -8.382 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.308 -5.504 -9.159 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.650 -4.972 -9.577 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.003 -6.601 -9.616 1.00 0.00 H new ATOM 490 N VAL A 35 -1.103 -6.407 -6.867 1.00 0.00 N ATOM 491 CA VAL A 35 -0.980 -7.047 -5.563 1.00 0.00 C ATOM 492 C VAL A 35 -0.033 -8.240 -5.623 1.00 0.00 C ATOM 493 O VAL A 35 -0.382 -9.297 -6.150 1.00 0.00 O ATOM 494 CB VAL A 35 -2.350 -7.520 -5.039 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.219 -8.077 -3.629 1.00 0.00 C ATOM 496 CG2 VAL A 35 -3.357 -6.381 -5.080 1.00 0.00 C ATOM 0 H VAL A 35 -2.024 -6.497 -7.296 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.575 -6.299 -4.881 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.712 -8.318 -5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.196 -8.406 -3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.531 -8.923 -3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.835 -7.302 -2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.319 -6.732 -4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.003 -5.560 -4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.471 -6.033 -6.107 1.00 0.00 H new ATOM 506 N ILE A 36 1.167 -8.063 -5.081 1.00 0.00 N ATOM 507 CA ILE A 36 2.165 -9.126 -5.072 1.00 0.00 C ATOM 508 C ILE A 36 1.891 -10.128 -3.956 1.00 0.00 C ATOM 509 O ILE A 36 1.596 -11.294 -4.216 1.00 0.00 O ATOM 510 CB ILE A 36 3.588 -8.560 -4.901 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.907 -7.574 -6.026 1.00 0.00 C ATOM 512 CG2 ILE A 36 4.607 -9.690 -4.874 1.00 0.00 C ATOM 513 CD1 ILE A 36 5.222 -6.850 -5.840 1.00 0.00 C ATOM 0 H ILE A 36 1.472 -7.194 -4.642 1.00 0.00 H new ATOM 0 HA ILE A 36 2.097 -9.632 -6.035 1.00 0.00 H new ATOM 0 HB ILE A 36 3.640 -8.027 -3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.928 -8.111 -6.974 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.104 -6.840 -6.094 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.608 -9.275 -4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.388 -10.358 -4.041 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.557 -10.248 -5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.383 -6.168 -6.675 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.197 -6.284 -4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.035 -7.575 -5.803 1.00 0.00 H new ATOM 525 N GLU A 37 1.988 -9.664 -2.714 1.00 0.00 N ATOM 526 CA GLU A 37 1.749 -10.521 -1.559 1.00 0.00 C ATOM 527 C GLU A 37 0.505 -10.073 -0.797 1.00 0.00 C ATOM 528 O GLU A 37 -0.127 -9.076 -1.148 1.00 0.00 O ATOM 529 CB GLU A 37 2.963 -10.509 -0.627 1.00 0.00 C ATOM 530 CG GLU A 37 3.982 -11.592 -0.941 1.00 0.00 C ATOM 531 CD GLU A 37 3.447 -12.988 -0.685 1.00 0.00 C ATOM 532 OE1 GLU A 37 2.427 -13.112 0.025 1.00 0.00 O ATOM 533 OE2 GLU A 37 4.048 -13.956 -1.195 1.00 0.00 O ATOM 0 H GLU A 37 2.230 -8.701 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 37 1.587 -11.537 -1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.449 -9.535 -0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.622 -10.630 0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.285 -11.509 -1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.875 -11.432 -0.336 1.00 0.00 H new ATOM 540 N LYS A 38 0.159 -10.816 0.248 1.00 0.00 N ATOM 541 CA LYS A 38 -1.008 -10.497 1.062 1.00 0.00 C ATOM 542 C LYS A 38 -0.829 -10.999 2.491 1.00 0.00 C ATOM 543 O LYS A 38 -0.839 -12.204 2.741 1.00 0.00 O ATOM 544 CB LYS A 38 -2.267 -11.113 0.447 1.00 0.00 C ATOM 545 CG LYS A 38 -2.655 -10.500 -0.887 1.00 0.00 C ATOM 546 CD LYS A 38 -3.968 -11.067 -1.400 1.00 0.00 C ATOM 547 CE LYS A 38 -4.637 -10.120 -2.385 1.00 0.00 C ATOM 548 NZ LYS A 38 -6.021 -10.557 -2.722 1.00 0.00 N ATOM 0 H LYS A 38 0.671 -11.644 0.552 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.117 -9.413 1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.110 -12.183 0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.096 -10.998 1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.742 -9.419 -0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.867 -10.686 -1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.787 -12.027 -1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.638 -11.253 -0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.666 -9.116 -1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.042 -10.064 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.443 -9.886 -3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.991 -11.504 -3.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.596 -10.586 -1.856 1.00 0.00 H new ATOM 562 N ASN A 39 -0.667 -10.067 3.425 1.00 0.00 N ATOM 563 CA ASN A 39 -0.487 -10.416 4.829 1.00 0.00 C ATOM 564 C ASN A 39 -1.828 -10.457 5.556 1.00 0.00 C ATOM 565 O ASN A 39 -2.665 -9.572 5.384 1.00 0.00 O ATOM 566 CB ASN A 39 0.445 -9.412 5.510 1.00 0.00 C ATOM 567 CG ASN A 39 0.974 -9.921 6.837 1.00 0.00 C ATOM 568 OD1 ASN A 39 1.091 -11.128 7.049 1.00 0.00 O ATOM 569 ND2 ASN A 39 1.296 -9.000 7.738 1.00 0.00 N ATOM 0 H ASN A 39 -0.657 -9.065 3.235 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.038 -11.408 4.876 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.283 -9.192 4.848 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.089 -8.475 5.670 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.657 -9.282 8.649 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.182 -8.010 7.519 1.00 0.00 H new ATOM 576 N GLU A 40 -2.023 -11.491 6.369 1.00 0.00 N ATOM 577 CA GLU A 40 -3.262 -11.647 7.121 1.00 0.00 C ATOM 578 C GLU A 40 -3.545 -10.408 7.967 1.00 0.00 C ATOM 579 O GLU A 40 -4.696 -10.110 8.284 1.00 0.00 O ATOM 580 CB GLU A 40 -3.188 -12.884 8.019 1.00 0.00 C ATOM 581 CG GLU A 40 -3.179 -14.194 7.249 1.00 0.00 C ATOM 582 CD GLU A 40 -4.573 -14.741 7.011 1.00 0.00 C ATOM 583 OE1 GLU A 40 -5.414 -14.640 7.929 1.00 0.00 O ATOM 584 OE2 GLU A 40 -4.823 -15.269 5.908 1.00 0.00 O ATOM 0 H GLU A 40 -1.339 -12.232 6.523 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.076 -11.773 6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.288 -12.825 8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.038 -12.879 8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.683 -14.044 6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.593 -14.930 7.799 1.00 0.00 H new ATOM 591 N SER A 41 -2.485 -9.691 8.327 1.00 0.00 N ATOM 592 CA SER A 41 -2.618 -8.487 9.139 1.00 0.00 C ATOM 593 C SER A 41 -3.570 -7.491 8.483 1.00 0.00 C ATOM 594 O SER A 41 -4.323 -6.795 9.163 1.00 0.00 O ATOM 595 CB SER A 41 -1.250 -7.837 9.353 1.00 0.00 C ATOM 596 OG SER A 41 -0.429 -8.637 10.186 1.00 0.00 O ATOM 0 H SER A 41 -1.526 -9.923 8.069 1.00 0.00 H new ATOM 0 HA SER A 41 -3.031 -8.775 10.106 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.761 -7.688 8.391 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.378 -6.852 9.802 1.00 0.00 H new ATOM 0 HG SER A 41 0.440 -8.200 10.306 1.00 0.00 H new ATOM 602 N GLY A 42 -3.529 -7.429 7.156 1.00 0.00 N ATOM 603 CA GLY A 42 -4.391 -6.516 6.429 1.00 0.00 C ATOM 604 C GLY A 42 -3.629 -5.674 5.425 1.00 0.00 C ATOM 605 O GLY A 42 -4.218 -5.117 4.499 1.00 0.00 O ATOM 0 H GLY A 42 -2.914 -7.995 6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.162 -7.085 5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.900 -5.861 7.136 1.00 0.00 H new ATOM 609 N TRP A 43 -2.318 -5.580 5.609 1.00 0.00 N ATOM 610 CA TRP A 43 -1.474 -4.798 4.712 1.00 0.00 C ATOM 611 C TRP A 43 -0.885 -5.677 3.614 1.00 0.00 C ATOM 612 O TRP A 43 -0.227 -6.678 3.894 1.00 0.00 O ATOM 613 CB TRP A 43 -0.350 -4.120 5.498 1.00 0.00 C ATOM 614 CG TRP A 43 -0.840 -3.078 6.456 1.00 0.00 C ATOM 615 CD1 TRP A 43 -1.708 -3.262 7.495 1.00 0.00 C ATOM 616 CD2 TRP A 43 -0.493 -1.689 6.463 1.00 0.00 C ATOM 617 NE1 TRP A 43 -1.921 -2.071 8.147 1.00 0.00 N ATOM 618 CE2 TRP A 43 -1.186 -1.091 7.534 1.00 0.00 C ATOM 619 CE3 TRP A 43 0.338 -0.892 5.671 1.00 0.00 C ATOM 620 CZ2 TRP A 43 -1.073 0.265 7.829 1.00 0.00 C ATOM 621 CZ3 TRP A 43 0.449 0.453 5.965 1.00 0.00 C ATOM 622 CH2 TRP A 43 -0.253 1.021 7.037 1.00 0.00 C ATOM 0 H TRP A 43 -1.815 -6.035 6.371 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.094 -4.033 4.245 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.206 -4.878 6.050 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.347 -3.660 4.798 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -2.160 -4.205 7.764 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.528 -1.938 8.956 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.884 -1.320 4.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.614 0.705 8.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.088 1.078 5.358 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.144 2.076 7.242 1.00 0.00 H new ATOM 633 N TRP A 44 -1.127 -5.296 2.365 1.00 0.00 N ATOM 634 CA TRP A 44 -0.619 -6.050 1.225 1.00 0.00 C ATOM 635 C TRP A 44 0.549 -5.323 0.568 1.00 0.00 C ATOM 636 O TRP A 44 0.795 -4.148 0.841 1.00 0.00 O ATOM 637 CB TRP A 44 -1.733 -6.279 0.202 1.00 0.00 C ATOM 638 CG TRP A 44 -2.927 -6.984 0.772 1.00 0.00 C ATOM 639 CD1 TRP A 44 -2.960 -7.766 1.892 1.00 0.00 C ATOM 640 CD2 TRP A 44 -4.260 -6.972 0.249 1.00 0.00 C ATOM 641 NE1 TRP A 44 -4.233 -8.241 2.096 1.00 0.00 N ATOM 642 CE2 TRP A 44 -5.049 -7.767 1.103 1.00 0.00 C ATOM 643 CE3 TRP A 44 -4.863 -6.366 -0.855 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -6.409 -7.971 0.883 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -6.213 -6.569 -1.072 1.00 0.00 C ATOM 646 CH2 TRP A 44 -6.974 -7.366 -0.206 1.00 0.00 C ATOM 0 H TRP A 44 -1.671 -4.470 2.116 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.264 -7.015 1.588 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.047 -5.317 -0.204 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.338 -6.862 -0.630 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.111 -7.979 2.524 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.523 -8.848 2.862 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.285 -5.750 -1.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.997 -8.585 1.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.689 -6.106 -1.923 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.027 -7.505 -0.402 1.00 0.00 H new ATOM 657 N PHE A 45 1.266 -6.029 -0.301 1.00 0.00 N ATOM 658 CA PHE A 45 2.410 -5.450 -0.996 1.00 0.00 C ATOM 659 C PHE A 45 2.119 -5.296 -2.486 1.00 0.00 C ATOM 660 O PHE A 45 2.280 -6.237 -3.263 1.00 0.00 O ATOM 661 CB PHE A 45 3.651 -6.323 -0.796 1.00 0.00 C ATOM 662 CG PHE A 45 4.896 -5.742 -1.402 1.00 0.00 C ATOM 663 CD1 PHE A 45 5.257 -4.428 -1.152 1.00 0.00 C ATOM 664 CD2 PHE A 45 5.706 -6.510 -2.223 1.00 0.00 C ATOM 665 CE1 PHE A 45 6.403 -3.891 -1.708 1.00 0.00 C ATOM 666 CE2 PHE A 45 6.853 -5.979 -2.782 1.00 0.00 C ATOM 667 CZ PHE A 45 7.201 -4.667 -2.525 1.00 0.00 C ATOM 0 H PHE A 45 1.075 -7.002 -0.540 1.00 0.00 H new ATOM 0 HA PHE A 45 2.597 -4.462 -0.575 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.812 -6.473 0.272 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.469 -7.305 -1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.636 -3.816 -0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.438 -7.536 -2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.674 -2.866 -1.504 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.476 -6.589 -3.419 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.096 -4.249 -2.962 1.00 0.00 H new ATOM 677 N VAL A 46 1.688 -4.100 -2.878 1.00 0.00 N ATOM 678 CA VAL A 46 1.375 -3.821 -4.274 1.00 0.00 C ATOM 679 C VAL A 46 2.582 -3.240 -5.003 1.00 0.00 C ATOM 680 O VAL A 46 3.439 -2.601 -4.394 1.00 0.00 O ATOM 681 CB VAL A 46 0.193 -2.841 -4.399 1.00 0.00 C ATOM 682 CG1 VAL A 46 -1.051 -3.418 -3.742 1.00 0.00 C ATOM 683 CG2 VAL A 46 0.552 -1.494 -3.789 1.00 0.00 C ATOM 0 H VAL A 46 1.548 -3.310 -2.248 1.00 0.00 H new ATOM 0 HA VAL A 46 1.100 -4.771 -4.733 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.021 -2.690 -5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.875 -2.712 -3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.317 -4.356 -4.228 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.853 -3.600 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.294 -0.814 -3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.793 -1.625 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.414 -1.077 -4.309 1.00 0.00 H new ATOM 693 N SER A 47 2.642 -3.467 -6.311 1.00 0.00 N ATOM 694 CA SER A 47 3.745 -2.969 -7.124 1.00 0.00 C ATOM 695 C SER A 47 3.225 -2.220 -8.347 1.00 0.00 C ATOM 696 O SER A 47 2.350 -2.708 -9.063 1.00 0.00 O ATOM 697 CB SER A 47 4.645 -4.126 -7.564 1.00 0.00 C ATOM 698 OG SER A 47 5.413 -3.770 -8.701 1.00 0.00 O ATOM 0 H SER A 47 1.939 -3.993 -6.831 1.00 0.00 H new ATOM 0 HA SER A 47 4.327 -2.276 -6.517 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.309 -4.406 -6.746 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.034 -4.999 -7.792 1.00 0.00 H new ATOM 0 HG SER A 47 5.981 -4.525 -8.962 1.00 0.00 H new ATOM 704 N THR A 48 3.770 -1.030 -8.581 1.00 0.00 N ATOM 705 CA THR A 48 3.362 -0.212 -9.716 1.00 0.00 C ATOM 706 C THR A 48 4.514 -0.013 -10.693 1.00 0.00 C ATOM 707 O THR A 48 5.670 -0.289 -10.370 1.00 0.00 O ATOM 708 CB THR A 48 2.848 1.166 -9.258 1.00 0.00 C ATOM 709 OG1 THR A 48 3.944 1.979 -8.827 1.00 0.00 O ATOM 710 CG2 THR A 48 1.842 1.020 -8.126 1.00 0.00 C ATOM 0 H THR A 48 4.495 -0.611 -7.999 1.00 0.00 H new ATOM 0 HA THR A 48 2.554 -0.746 -10.216 1.00 0.00 H new ATOM 0 HB THR A 48 2.353 1.643 -10.103 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.509 1.467 -8.211 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.493 2.006 -7.820 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.995 0.425 -8.467 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.316 0.524 -7.279 1.00 0.00 H new ATOM 718 N SER A 49 4.193 0.467 -11.890 1.00 0.00 N ATOM 719 CA SER A 49 5.202 0.700 -12.917 1.00 0.00 C ATOM 720 C SER A 49 6.308 1.612 -12.394 1.00 0.00 C ATOM 721 O SER A 49 7.444 1.558 -12.863 1.00 0.00 O ATOM 722 CB SER A 49 4.561 1.318 -14.161 1.00 0.00 C ATOM 723 OG SER A 49 5.475 1.350 -15.243 1.00 0.00 O ATOM 0 H SER A 49 3.242 0.702 -12.173 1.00 0.00 H new ATOM 0 HA SER A 49 5.643 -0.261 -13.184 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.679 0.743 -14.443 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.224 2.330 -13.936 1.00 0.00 H new ATOM 0 HG SER A 49 5.041 1.748 -16.026 1.00 0.00 H new ATOM 729 N GLU A 50 5.965 2.450 -11.420 1.00 0.00 N ATOM 730 CA GLU A 50 6.928 3.375 -10.835 1.00 0.00 C ATOM 731 C GLU A 50 7.775 2.678 -9.773 1.00 0.00 C ATOM 732 O GLU A 50 8.970 2.460 -9.964 1.00 0.00 O ATOM 733 CB GLU A 50 6.206 4.576 -10.220 1.00 0.00 C ATOM 734 CG GLU A 50 5.336 5.334 -11.208 1.00 0.00 C ATOM 735 CD GLU A 50 6.147 6.048 -12.272 1.00 0.00 C ATOM 736 OE1 GLU A 50 7.148 6.705 -11.915 1.00 0.00 O ATOM 737 OE2 GLU A 50 5.782 5.949 -13.462 1.00 0.00 O ATOM 0 H GLU A 50 5.028 2.507 -11.020 1.00 0.00 H new ATOM 0 HA GLU A 50 7.587 3.725 -11.630 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.586 4.232 -9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.946 5.259 -9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.647 4.639 -11.687 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.730 6.062 -10.669 1.00 0.00 H new ATOM 744 N GLU A 51 7.145 2.334 -8.655 1.00 0.00 N ATOM 745 CA GLU A 51 7.841 1.663 -7.562 1.00 0.00 C ATOM 746 C GLU A 51 6.903 0.716 -6.820 1.00 0.00 C ATOM 747 O GLU A 51 5.727 0.597 -7.162 1.00 0.00 O ATOM 748 CB GLU A 51 8.419 2.693 -6.589 1.00 0.00 C ATOM 749 CG GLU A 51 9.360 3.689 -7.245 1.00 0.00 C ATOM 750 CD GLU A 51 10.623 3.038 -7.774 1.00 0.00 C ATOM 751 OE1 GLU A 51 11.017 1.983 -7.234 1.00 0.00 O ATOM 752 OE2 GLU A 51 11.218 3.583 -8.727 1.00 0.00 O ATOM 0 H GLU A 51 6.155 2.508 -8.481 1.00 0.00 H new ATOM 0 HA GLU A 51 8.656 1.078 -7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.599 3.236 -6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.952 2.171 -5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.842 4.187 -8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.628 4.460 -6.522 1.00 0.00 H new ATOM 759 N GLN A 52 7.434 0.044 -5.803 1.00 0.00 N ATOM 760 CA GLN A 52 6.645 -0.894 -5.013 1.00 0.00 C ATOM 761 C GLN A 52 6.661 -0.510 -3.537 1.00 0.00 C ATOM 762 O GLN A 52 7.620 0.089 -3.051 1.00 0.00 O ATOM 763 CB GLN A 52 7.178 -2.316 -5.189 1.00 0.00 C ATOM 764 CG GLN A 52 7.473 -2.681 -6.635 1.00 0.00 C ATOM 765 CD GLN A 52 7.805 -4.150 -6.810 1.00 0.00 C ATOM 766 OE1 GLN A 52 7.514 -4.972 -5.941 1.00 0.00 O ATOM 767 NE2 GLN A 52 8.419 -4.488 -7.938 1.00 0.00 N ATOM 0 H GLN A 52 8.406 0.132 -5.507 1.00 0.00 H new ATOM 0 HA GLN A 52 5.615 -0.854 -5.369 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.089 -2.429 -4.601 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.450 -3.020 -4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.610 -2.431 -7.252 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.307 -2.079 -6.995 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.641 -3.774 -8.631 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.668 -5.462 -8.111 1.00 0.00 H new ATOM 776 N GLY A 53 5.592 -0.860 -2.827 1.00 0.00 N ATOM 777 CA GLY A 53 5.504 -0.544 -1.414 1.00 0.00 C ATOM 778 C GLY A 53 4.384 -1.293 -0.721 1.00 0.00 C ATOM 779 O GLY A 53 3.487 -1.825 -1.375 1.00 0.00 O ATOM 0 H GLY A 53 4.786 -1.357 -3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.451 -0.785 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.349 0.528 -1.294 1.00 0.00 H new ATOM 783 N TRP A 54 4.435 -1.337 0.605 1.00 0.00 N ATOM 784 CA TRP A 54 3.417 -2.030 1.387 1.00 0.00 C ATOM 785 C TRP A 54 2.304 -1.073 1.800 1.00 0.00 C ATOM 786 O TRP A 54 2.542 -0.102 2.519 1.00 0.00 O ATOM 787 CB TRP A 54 4.044 -2.668 2.628 1.00 0.00 C ATOM 788 CG TRP A 54 4.910 -3.850 2.314 1.00 0.00 C ATOM 789 CD1 TRP A 54 6.194 -3.826 1.850 1.00 0.00 C ATOM 790 CD2 TRP A 54 4.554 -5.231 2.441 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.658 -5.108 1.680 1.00 0.00 N ATOM 792 CE2 TRP A 54 5.671 -5.988 2.036 1.00 0.00 C ATOM 793 CE3 TRP A 54 3.401 -5.902 2.858 1.00 0.00 C ATOM 794 CZ2 TRP A 54 5.665 -7.381 2.036 1.00 0.00 C ATOM 795 CZ3 TRP A 54 3.397 -7.284 2.857 1.00 0.00 C ATOM 796 CH2 TRP A 54 4.523 -8.011 2.450 1.00 0.00 C ATOM 0 H TRP A 54 5.170 -0.901 1.162 1.00 0.00 H new ATOM 0 HA TRP A 54 2.986 -2.813 0.763 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.639 -1.920 3.152 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.251 -2.978 3.309 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.762 -2.930 1.646 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.587 -5.363 1.343 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.529 -5.350 3.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.531 -7.944 1.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.511 -7.812 3.175 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.489 -9.090 2.463 1.00 0.00 H new ATOM 807 N VAL A 55 1.088 -1.353 1.342 1.00 0.00 N ATOM 808 CA VAL A 55 -0.062 -0.518 1.665 1.00 0.00 C ATOM 809 C VAL A 55 -1.193 -1.347 2.263 1.00 0.00 C ATOM 810 O VAL A 55 -1.293 -2.555 2.044 1.00 0.00 O ATOM 811 CB VAL A 55 -0.586 0.222 0.420 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.305 1.411 0.092 1.00 0.00 C ATOM 813 CG2 VAL A 55 -0.679 -0.728 -0.764 1.00 0.00 C ATOM 0 H VAL A 55 0.874 -2.152 0.746 1.00 0.00 H new ATOM 0 HA VAL A 55 0.275 0.214 2.399 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.587 0.597 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.080 1.922 -0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.316 2.101 0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.319 1.063 -0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.051 -0.188 -1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.309 -1.134 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.361 -1.543 -0.524 1.00 0.00 H new ATOM 823 N PRO A 56 -2.067 -0.686 3.036 1.00 0.00 N ATOM 824 CA PRO A 56 -3.208 -1.343 3.681 1.00 0.00 C ATOM 825 C PRO A 56 -4.272 -1.773 2.677 1.00 0.00 C ATOM 826 O PRO A 56 -4.696 -0.986 1.832 1.00 0.00 O ATOM 827 CB PRO A 56 -3.759 -0.261 4.613 1.00 0.00 C ATOM 828 CG PRO A 56 -3.336 1.026 3.993 1.00 0.00 C ATOM 829 CD PRO A 56 -2.009 0.754 3.340 1.00 0.00 C ATOM 0 HA PRO A 56 -2.915 -2.259 4.194 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.844 -0.323 4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.358 -0.365 5.621 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.069 1.366 3.261 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.248 1.811 4.744 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.876 1.350 2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.178 0.991 4.004 1.00 0.00 H new ATOM 837 N ALA A 57 -4.700 -3.028 2.777 1.00 0.00 N ATOM 838 CA ALA A 57 -5.717 -3.562 1.879 1.00 0.00 C ATOM 839 C ALA A 57 -6.951 -2.667 1.854 1.00 0.00 C ATOM 840 O ALA A 57 -7.664 -2.602 0.852 1.00 0.00 O ATOM 841 CB ALA A 57 -6.095 -4.976 2.293 1.00 0.00 C ATOM 0 H ALA A 57 -4.358 -3.693 3.471 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.301 -3.589 0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.855 -5.363 1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.213 -5.615 2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.488 -4.965 3.310 1.00 0.00 H new ATOM 847 N THR A 58 -7.200 -1.978 2.963 1.00 0.00 N ATOM 848 CA THR A 58 -8.350 -1.089 3.069 1.00 0.00 C ATOM 849 C THR A 58 -8.342 -0.045 1.958 1.00 0.00 C ATOM 850 O THR A 58 -9.388 0.485 1.583 1.00 0.00 O ATOM 851 CB THR A 58 -8.382 -0.372 4.432 1.00 0.00 C ATOM 852 OG1 THR A 58 -7.091 0.171 4.731 1.00 0.00 O ATOM 853 CG2 THR A 58 -8.804 -1.328 5.537 1.00 0.00 C ATOM 0 H THR A 58 -6.620 -2.019 3.801 1.00 0.00 H new ATOM 0 HA THR A 58 -9.240 -1.711 2.973 1.00 0.00 H new ATOM 0 HB THR A 58 -9.111 0.436 4.375 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.121 0.627 5.598 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.819 -0.799 6.490 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.799 -1.716 5.322 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.096 -2.155 5.593 1.00 0.00 H new ATOM 861 N TYR A 59 -7.156 0.246 1.435 1.00 0.00 N ATOM 862 CA TYR A 59 -7.012 1.228 0.368 1.00 0.00 C ATOM 863 C TYR A 59 -6.985 0.549 -0.998 1.00 0.00 C ATOM 864 O TYR A 59 -6.386 1.057 -1.947 1.00 0.00 O ATOM 865 CB TYR A 59 -5.735 2.046 0.568 1.00 0.00 C ATOM 866 CG TYR A 59 -5.861 3.117 1.627 1.00 0.00 C ATOM 867 CD1 TYR A 59 -6.191 2.790 2.937 1.00 0.00 C ATOM 868 CD2 TYR A 59 -5.651 4.455 1.319 1.00 0.00 C ATOM 869 CE1 TYR A 59 -6.308 3.765 3.908 1.00 0.00 C ATOM 870 CE2 TYR A 59 -5.765 5.437 2.284 1.00 0.00 C ATOM 871 CZ TYR A 59 -6.094 5.087 3.577 1.00 0.00 C ATOM 872 OH TYR A 59 -6.210 6.062 4.541 1.00 0.00 O ATOM 0 H TYR A 59 -6.281 -0.184 1.733 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.873 1.895 0.405 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.921 1.373 0.839 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.461 2.513 -0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.359 1.756 3.200 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.394 4.733 0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.566 3.494 4.921 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.598 6.473 2.028 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.027 6.939 4.143 1.00 0.00 H new ATOM 882 N LEU A 60 -7.640 -0.604 -1.091 1.00 0.00 N ATOM 883 CA LEU A 60 -7.693 -1.355 -2.340 1.00 0.00 C ATOM 884 C LEU A 60 -9.031 -2.073 -2.487 1.00 0.00 C ATOM 885 O LEU A 60 -9.664 -2.433 -1.495 1.00 0.00 O ATOM 886 CB LEU A 60 -6.549 -2.368 -2.399 1.00 0.00 C ATOM 887 CG LEU A 60 -5.173 -1.851 -1.977 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.231 -3.011 -1.694 1.00 0.00 C ATOM 889 CD2 LEU A 60 -4.594 -0.940 -3.049 1.00 0.00 C ATOM 0 H LEU A 60 -8.141 -1.038 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.587 -0.649 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.807 -3.215 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.476 -2.745 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.289 -1.272 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.257 -2.624 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.640 -3.624 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.120 -3.617 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.615 -0.581 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.493 -1.495 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.259 -0.090 -3.203 1.00 0.00 H new ATOM 901 N GLU A 61 -9.453 -2.279 -3.731 1.00 0.00 N ATOM 902 CA GLU A 61 -10.715 -2.955 -4.006 1.00 0.00 C ATOM 903 C GLU A 61 -10.609 -3.815 -5.263 1.00 0.00 C ATOM 904 O GLU A 61 -10.170 -3.346 -6.313 1.00 0.00 O ATOM 905 CB GLU A 61 -11.843 -1.933 -4.168 1.00 0.00 C ATOM 906 CG GLU A 61 -13.206 -2.563 -4.397 1.00 0.00 C ATOM 907 CD GLU A 61 -14.009 -2.698 -3.118 1.00 0.00 C ATOM 908 OE1 GLU A 61 -14.128 -1.696 -2.382 1.00 0.00 O ATOM 909 OE2 GLU A 61 -14.518 -3.807 -2.852 1.00 0.00 O ATOM 0 H GLU A 61 -8.940 -1.988 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.941 -3.604 -3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.886 -1.308 -3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.610 -1.277 -5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.766 -1.959 -5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.076 -3.548 -4.846 1.00 0.00 H new ATOM 916 N ALA A 62 -11.013 -5.075 -5.146 1.00 0.00 N ATOM 917 CA ALA A 62 -10.965 -6.000 -6.272 1.00 0.00 C ATOM 918 C ALA A 62 -11.725 -5.445 -7.471 1.00 0.00 C ATOM 919 O ALA A 62 -12.950 -5.328 -7.442 1.00 0.00 O ATOM 920 CB ALA A 62 -11.531 -7.354 -5.867 1.00 0.00 C ATOM 0 H ALA A 62 -11.377 -5.479 -4.283 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.922 -6.126 -6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.489 -8.035 -6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.943 -7.763 -5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.567 -7.235 -5.548 1.00 0.00 H new