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 USER MOD Set 1.2: A 52 GLN : amide:sc= -0.574 X(o=-0.57,f=-0.97) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0317 USER MOD Single : A 16 ASN : amide:sc= -0.369 K(o=-0.37,f=-1.2!) USER MOD Single : A 17 TYR OH : rot 56:sc= 0.622 USER MOD Single : A 26 SER OG : rot 37:sc= 1.09 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.0899 K(o=-0.09,f=-1.4!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -48:sc= 0.748 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.413 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.505 -12.549 -10.760 1.00 0.00 N ATOM 67 CA LEU A 8 -0.791 -11.595 -9.695 1.00 0.00 C ATOM 68 C LEU A 8 -2.149 -10.933 -9.907 1.00 0.00 C ATOM 69 O LEU A 8 -2.668 -10.903 -11.022 1.00 0.00 O ATOM 70 CB LEU A 8 0.304 -10.528 -9.631 1.00 0.00 C ATOM 71 CG LEU A 8 1.737 -11.045 -9.503 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.732 -9.906 -9.667 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.936 -11.740 -8.164 1.00 0.00 C ATOM 0 HA LEU A 8 -0.816 -12.139 -8.751 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.239 -9.915 -10.530 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.098 -9.874 -8.784 1.00 0.00 H new ATOM 0 HG LEU A 8 1.913 -11.771 -10.296 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.747 -10.293 -9.573 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.607 -9.452 -10.650 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.557 -9.156 -8.896 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.962 -12.101 -8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.741 -11.035 -7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.248 -12.582 -8.085 1.00 0.00 H new ATOM 85 N GLU A 9 -2.718 -10.403 -8.829 1.00 0.00 N ATOM 86 CA GLU A 9 -4.015 -9.741 -8.898 1.00 0.00 C ATOM 87 C GLU A 9 -3.852 -8.223 -8.912 1.00 0.00 C ATOM 88 O GLU A 9 -3.163 -7.656 -8.065 1.00 0.00 O ATOM 89 CB GLU A 9 -4.890 -10.159 -7.715 1.00 0.00 C ATOM 90 CG GLU A 9 -5.259 -11.633 -7.722 1.00 0.00 C ATOM 91 CD GLU A 9 -6.497 -11.929 -6.899 1.00 0.00 C ATOM 92 OE1 GLU A 9 -7.585 -11.437 -7.266 1.00 0.00 O ATOM 93 OE2 GLU A 9 -6.379 -12.652 -5.887 1.00 0.00 O ATOM 0 H GLU A 9 -2.301 -10.419 -7.898 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.500 -10.046 -9.825 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.366 -9.929 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.803 -9.564 -7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.424 -11.957 -8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.422 -12.215 -7.335 1.00 0.00 H new ATOM 100 N GLN A 10 -4.490 -7.574 -9.880 1.00 0.00 N ATOM 101 CA GLN A 10 -4.414 -6.123 -10.005 1.00 0.00 C ATOM 102 C GLN A 10 -5.586 -5.454 -9.296 1.00 0.00 C ATOM 103 O GLN A 10 -6.737 -5.597 -9.708 1.00 0.00 O ATOM 104 CB GLN A 10 -4.395 -5.718 -11.480 1.00 0.00 C ATOM 105 CG GLN A 10 -3.056 -5.952 -12.159 1.00 0.00 C ATOM 106 CD GLN A 10 -3.122 -5.764 -13.662 1.00 0.00 C ATOM 107 OE1 GLN A 10 -3.377 -6.711 -14.407 1.00 0.00 O ATOM 108 NE2 GLN A 10 -2.893 -4.538 -14.116 1.00 0.00 N ATOM 0 H GLN A 10 -5.065 -8.029 -10.589 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.490 -5.790 -9.532 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.165 -6.277 -12.011 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.654 -4.662 -11.561 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.318 -5.266 -11.743 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.713 -6.963 -11.938 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.685 -3.783 -13.463 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.925 -4.351 -15.118 1.00 0.00 H new ATOM 117 N TYR A 11 -5.286 -4.723 -8.228 1.00 0.00 N ATOM 118 CA TYR A 11 -6.315 -4.033 -7.460 1.00 0.00 C ATOM 119 C TYR A 11 -6.335 -2.544 -7.789 1.00 0.00 C ATOM 120 O TYR A 11 -5.325 -1.974 -8.204 1.00 0.00 O ATOM 121 CB TYR A 11 -6.082 -4.232 -5.961 1.00 0.00 C ATOM 122 CG TYR A 11 -6.778 -5.450 -5.397 1.00 0.00 C ATOM 123 CD1 TYR A 11 -6.433 -6.729 -5.816 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.782 -5.322 -4.445 1.00 0.00 C ATOM 125 CE1 TYR A 11 -7.067 -7.844 -5.304 1.00 0.00 C ATOM 126 CE2 TYR A 11 -8.420 -6.431 -3.926 1.00 0.00 C ATOM 127 CZ TYR A 11 -8.059 -7.690 -4.358 1.00 0.00 C ATOM 128 OH TYR A 11 -8.694 -8.798 -3.845 1.00 0.00 O ATOM 0 H TYR A 11 -4.338 -4.593 -7.875 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.281 -4.459 -7.731 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.011 -4.318 -5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.428 -3.347 -5.427 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.655 -6.853 -6.555 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -8.068 -4.338 -4.105 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.788 -8.831 -5.642 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.198 -6.313 -3.186 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.366 -8.516 -3.189 1.00 0.00 H new ATOM 138 N VAL A 12 -7.492 -1.918 -7.601 1.00 0.00 N ATOM 139 CA VAL A 12 -7.645 -0.494 -7.876 1.00 0.00 C ATOM 140 C VAL A 12 -7.807 0.300 -6.585 1.00 0.00 C ATOM 141 O VAL A 12 -8.597 -0.064 -5.713 1.00 0.00 O ATOM 142 CB VAL A 12 -8.858 -0.226 -8.786 1.00 0.00 C ATOM 143 CG1 VAL A 12 -10.131 -0.769 -8.155 1.00 0.00 C ATOM 144 CG2 VAL A 12 -8.989 1.263 -9.073 1.00 0.00 C ATOM 0 H VAL A 12 -8.338 -2.375 -7.259 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.738 -0.170 -8.387 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.701 -0.744 -9.732 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.977 -0.570 -8.813 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.033 -1.844 -8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.297 -0.283 -7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.851 1.435 -9.717 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.123 1.804 -8.136 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.087 1.618 -9.571 1.00 0.00 H new ATOM 154 N VAL A 13 -7.053 1.389 -6.468 1.00 0.00 N ATOM 155 CA VAL A 13 -7.114 2.237 -5.284 1.00 0.00 C ATOM 156 C VAL A 13 -8.493 2.867 -5.129 1.00 0.00 C ATOM 157 O VAL A 13 -9.175 3.147 -6.115 1.00 0.00 O ATOM 158 CB VAL A 13 -6.055 3.355 -5.339 1.00 0.00 C ATOM 159 CG1 VAL A 13 -6.022 4.125 -4.028 1.00 0.00 C ATOM 160 CG2 VAL A 13 -4.686 2.775 -5.661 1.00 0.00 C ATOM 0 H VAL A 13 -6.393 1.704 -7.179 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.912 1.596 -4.426 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.326 4.050 -6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.268 4.910 -4.086 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.999 4.573 -3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.775 3.445 -3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.950 3.578 -5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.404 2.058 -4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.722 2.273 -6.628 1.00 0.00 H new ATOM 170 N VAL A 14 -8.900 3.089 -3.883 1.00 0.00 N ATOM 171 CA VAL A 14 -10.198 3.688 -3.597 1.00 0.00 C ATOM 172 C VAL A 14 -10.042 5.091 -3.023 1.00 0.00 C ATOM 173 O VAL A 14 -10.941 5.925 -3.141 1.00 0.00 O ATOM 174 CB VAL A 14 -11.008 2.828 -2.608 1.00 0.00 C ATOM 175 CG1 VAL A 14 -11.537 1.578 -3.296 1.00 0.00 C ATOM 176 CG2 VAL A 14 -10.157 2.462 -1.401 1.00 0.00 C ATOM 0 H VAL A 14 -8.349 2.863 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.736 3.744 -4.544 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.861 3.411 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.106 0.983 -2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.183 1.865 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.701 0.989 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.744 1.855 -0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.284 1.897 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.832 3.371 -0.896 1.00 0.00 H new ATOM 186 N SER A 15 -8.895 5.347 -2.403 1.00 0.00 N ATOM 187 CA SER A 15 -8.621 6.650 -1.808 1.00 0.00 C ATOM 188 C SER A 15 -7.126 6.950 -1.822 1.00 0.00 C ATOM 189 O SER A 15 -6.299 6.040 -1.868 1.00 0.00 O ATOM 190 CB SER A 15 -9.149 6.699 -0.372 1.00 0.00 C ATOM 191 OG SER A 15 -8.761 7.899 0.273 1.00 0.00 O ATOM 0 H SER A 15 -8.140 4.669 -2.299 1.00 0.00 H new ATOM 0 HA SER A 15 -9.131 7.408 -2.402 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.236 6.621 -0.378 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.771 5.843 0.187 1.00 0.00 H new ATOM 0 HG SER A 15 -9.112 7.907 1.188 1.00 0.00 H new ATOM 197 N ASN A 16 -6.786 8.235 -1.782 1.00 0.00 N ATOM 198 CA ASN A 16 -5.390 8.657 -1.792 1.00 0.00 C ATOM 199 C ASN A 16 -4.667 8.171 -0.540 1.00 0.00 C ATOM 200 O ASN A 16 -5.294 7.874 0.477 1.00 0.00 O ATOM 201 CB ASN A 16 -5.298 10.181 -1.888 1.00 0.00 C ATOM 202 CG ASN A 16 -6.228 10.880 -0.916 1.00 0.00 C ATOM 203 OD1 ASN A 16 -6.354 10.475 0.240 1.00 0.00 O ATOM 204 ND2 ASN A 16 -6.887 11.935 -1.382 1.00 0.00 N ATOM 0 H ASN A 16 -7.458 9.001 -1.742 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.908 8.215 -2.664 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.272 10.493 -1.693 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.538 10.493 -2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.528 12.445 -0.774 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.752 12.235 -2.347 1.00 0.00 H new ATOM 211 N TYR A 17 -3.343 8.092 -0.621 1.00 0.00 N ATOM 212 CA TYR A 17 -2.534 7.641 0.504 1.00 0.00 C ATOM 213 C TYR A 17 -1.236 8.438 0.597 1.00 0.00 C ATOM 214 O TYR A 17 -0.802 9.057 -0.375 1.00 0.00 O ATOM 215 CB TYR A 17 -2.221 6.150 0.368 1.00 0.00 C ATOM 216 CG TYR A 17 -1.746 5.511 1.654 1.00 0.00 C ATOM 217 CD1 TYR A 17 -2.654 5.039 2.594 1.00 0.00 C ATOM 218 CD2 TYR A 17 -0.390 5.380 1.929 1.00 0.00 C ATOM 219 CE1 TYR A 17 -2.225 4.455 3.771 1.00 0.00 C ATOM 220 CE2 TYR A 17 0.048 4.797 3.102 1.00 0.00 C ATOM 221 CZ TYR A 17 -0.873 4.336 4.020 1.00 0.00 C ATOM 222 OH TYR A 17 -0.441 3.755 5.190 1.00 0.00 O ATOM 0 H TYR A 17 -2.808 8.335 -1.455 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.105 7.804 1.418 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.114 5.630 0.022 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.457 6.016 -0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.713 5.130 2.402 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.334 5.740 1.213 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.944 4.094 4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.106 4.703 3.300 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.831 2.860 5.274 1.00 0.00 H new ATOM 333 N GLU A 24 5.910 3.029 2.462 1.00 0.00 N ATOM 334 CA GLU A 24 4.549 3.089 1.944 1.00 0.00 C ATOM 335 C GLU A 24 4.509 3.816 0.603 1.00 0.00 C ATOM 336 O GLU A 24 5.467 4.490 0.220 1.00 0.00 O ATOM 337 CB GLU A 24 3.629 3.792 2.945 1.00 0.00 C ATOM 338 CG GLU A 24 2.980 2.847 3.942 1.00 0.00 C ATOM 339 CD GLU A 24 2.723 3.503 5.285 1.00 0.00 C ATOM 340 OE1 GLU A 24 2.264 4.664 5.299 1.00 0.00 O ATOM 341 OE2 GLU A 24 2.982 2.855 6.321 1.00 0.00 O ATOM 0 HA GLU A 24 4.199 2.068 1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.203 4.542 3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.849 4.322 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.037 2.484 3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.622 1.977 4.083 1.00 0.00 H new ATOM 348 N LEU A 25 3.395 3.675 -0.107 1.00 0.00 N ATOM 349 CA LEU A 25 3.230 4.318 -1.406 1.00 0.00 C ATOM 350 C LEU A 25 2.068 5.306 -1.381 1.00 0.00 C ATOM 351 O LEU A 25 0.992 5.001 -0.866 1.00 0.00 O ATOM 352 CB LEU A 25 2.995 3.265 -2.491 1.00 0.00 C ATOM 353 CG LEU A 25 4.247 2.724 -3.182 1.00 0.00 C ATOM 354 CD1 LEU A 25 3.877 1.645 -4.189 1.00 0.00 C ATOM 355 CD2 LEU A 25 5.011 3.851 -3.862 1.00 0.00 C ATOM 0 H LEU A 25 2.593 3.122 0.195 1.00 0.00 H new ATOM 0 HA LEU A 25 4.144 4.867 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.459 2.427 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.342 3.694 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 25 4.893 2.280 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.781 1.272 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.374 0.825 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.210 2.064 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.899 3.447 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.373 4.325 -4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.309 4.589 -3.118 1.00 0.00 H new ATOM 367 N SER A 26 2.292 6.490 -1.942 1.00 0.00 N ATOM 368 CA SER A 26 1.264 7.523 -1.983 1.00 0.00 C ATOM 369 C SER A 26 0.346 7.329 -3.185 1.00 0.00 C ATOM 370 O SER A 26 0.210 8.218 -4.027 1.00 0.00 O ATOM 371 CB SER A 26 1.908 8.910 -2.036 1.00 0.00 C ATOM 372 OG SER A 26 0.928 9.921 -2.195 1.00 0.00 O ATOM 0 H SER A 26 3.176 6.758 -2.374 1.00 0.00 H new ATOM 0 HA SER A 26 0.666 7.442 -1.075 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.473 9.087 -1.121 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.618 8.954 -2.862 1.00 0.00 H new ATOM 0 HG SER A 26 0.125 9.681 -1.687 1.00 0.00 H new ATOM 378 N LEU A 27 -0.283 6.162 -3.259 1.00 0.00 N ATOM 379 CA LEU A 27 -1.189 5.849 -4.359 1.00 0.00 C ATOM 380 C LEU A 27 -2.256 6.929 -4.509 1.00 0.00 C ATOM 381 O LEU A 27 -2.368 7.824 -3.672 1.00 0.00 O ATOM 382 CB LEU A 27 -1.852 4.490 -4.128 1.00 0.00 C ATOM 383 CG LEU A 27 -0.922 3.353 -3.701 1.00 0.00 C ATOM 384 CD1 LEU A 27 -1.695 2.050 -3.576 1.00 0.00 C ATOM 385 CD2 LEU A 27 0.225 3.203 -4.689 1.00 0.00 C ATOM 0 H LEU A 27 -0.183 5.416 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.605 5.810 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.622 4.609 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.357 4.194 -5.047 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.504 3.598 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.017 1.253 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.481 2.163 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.142 1.799 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.876 2.390 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.174 2.981 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.796 4.131 -4.728 1.00 0.00 H new ATOM 397 N GLN A 28 -3.039 6.836 -5.579 1.00 0.00 N ATOM 398 CA GLN A 28 -4.098 7.804 -5.837 1.00 0.00 C ATOM 399 C GLN A 28 -5.398 7.101 -6.212 1.00 0.00 C ATOM 400 O GLN A 28 -5.384 6.026 -6.811 1.00 0.00 O ATOM 401 CB GLN A 28 -3.681 8.762 -6.954 1.00 0.00 C ATOM 402 CG GLN A 28 -4.357 10.121 -6.873 1.00 0.00 C ATOM 403 CD GLN A 28 -4.024 11.009 -8.056 1.00 0.00 C ATOM 404 OE1 GLN A 28 -4.008 10.558 -9.201 1.00 0.00 O ATOM 405 NE2 GLN A 28 -3.756 12.281 -7.785 1.00 0.00 N ATOM 0 H GLN A 28 -2.960 6.100 -6.281 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.265 8.374 -4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.600 8.900 -6.918 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.913 8.307 -7.917 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.437 9.983 -6.820 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.053 10.619 -5.952 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.781 12.613 -6.821 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.526 12.926 -8.541 1.00 0.00 H new ATOM 414 N ALA A 29 -6.522 7.716 -5.856 1.00 0.00 N ATOM 415 CA ALA A 29 -7.831 7.151 -6.157 1.00 0.00 C ATOM 416 C ALA A 29 -7.982 6.881 -7.651 1.00 0.00 C ATOM 417 O ALA A 29 -7.871 7.792 -8.470 1.00 0.00 O ATOM 418 CB ALA A 29 -8.932 8.082 -5.673 1.00 0.00 C ATOM 0 H ALA A 29 -6.551 8.606 -5.359 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.918 6.200 -5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.904 7.647 -5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.844 8.220 -4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.838 9.047 -6.172 1.00 0.00 H new ATOM 424 N GLY A 30 -8.235 5.623 -7.998 1.00 0.00 N ATOM 425 CA GLY A 30 -8.397 5.256 -9.393 1.00 0.00 C ATOM 426 C GLY A 30 -7.161 4.590 -9.964 1.00 0.00 C ATOM 427 O GLY A 30 -7.233 3.907 -10.985 1.00 0.00 O ATOM 0 H GLY A 30 -8.331 4.851 -7.338 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.248 4.582 -9.492 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.628 6.148 -9.976 1.00 0.00 H new ATOM 431 N GLU A 31 -6.024 4.790 -9.304 1.00 0.00 N ATOM 432 CA GLU A 31 -4.767 4.204 -9.755 1.00 0.00 C ATOM 433 C GLU A 31 -4.792 2.685 -9.612 1.00 0.00 C ATOM 434 O GLU A 31 -5.426 2.146 -8.705 1.00 0.00 O ATOM 435 CB GLU A 31 -3.595 4.783 -8.959 1.00 0.00 C ATOM 436 CG GLU A 31 -2.287 4.805 -9.731 1.00 0.00 C ATOM 437 CD GLU A 31 -2.397 5.555 -11.045 1.00 0.00 C ATOM 438 OE1 GLU A 31 -3.242 6.470 -11.135 1.00 0.00 O ATOM 439 OE2 GLU A 31 -1.640 5.226 -11.981 1.00 0.00 O ATOM 0 H GLU A 31 -5.948 5.352 -8.457 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.638 4.450 -10.809 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.843 5.799 -8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.460 4.198 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.515 5.268 -9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.968 3.781 -9.927 1.00 0.00 H new ATOM 446 N VAL A 32 -4.098 2.000 -10.516 1.00 0.00 N ATOM 447 CA VAL A 32 -4.040 0.544 -10.491 1.00 0.00 C ATOM 448 C VAL A 32 -2.697 0.056 -9.959 1.00 0.00 C ATOM 449 O VAL A 32 -1.660 0.676 -10.197 1.00 0.00 O ATOM 450 CB VAL A 32 -4.270 -0.051 -11.894 1.00 0.00 C ATOM 451 CG1 VAL A 32 -4.396 -1.564 -11.818 1.00 0.00 C ATOM 452 CG2 VAL A 32 -5.504 0.564 -12.537 1.00 0.00 C ATOM 0 H VAL A 32 -3.569 2.430 -11.274 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.835 0.207 -9.826 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.407 0.186 -12.517 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.558 -1.966 -12.818 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.481 -1.985 -11.401 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.240 -1.827 -11.180 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.652 0.133 -13.527 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.377 0.359 -11.918 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.368 1.642 -12.627 1.00 0.00 H new ATOM 462 N VAL A 33 -2.723 -1.059 -9.235 1.00 0.00 N ATOM 463 CA VAL A 33 -1.508 -1.631 -8.669 1.00 0.00 C ATOM 464 C VAL A 33 -1.562 -3.155 -8.679 1.00 0.00 C ATOM 465 O VAL A 33 -2.636 -3.747 -8.779 1.00 0.00 O ATOM 466 CB VAL A 33 -1.278 -1.146 -7.226 1.00 0.00 C ATOM 467 CG1 VAL A 33 -1.244 0.374 -7.172 1.00 0.00 C ATOM 468 CG2 VAL A 33 -2.353 -1.696 -6.301 1.00 0.00 C ATOM 0 H VAL A 33 -3.573 -1.584 -9.027 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.680 -1.295 -9.293 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.312 -1.520 -6.886 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.081 0.698 -6.144 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.434 0.742 -7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.193 0.772 -7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.175 -1.343 -5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.332 -1.354 -6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.324 -2.785 -6.317 1.00 0.00 H new ATOM 478 N ASP A 34 -0.396 -3.783 -8.573 1.00 0.00 N ATOM 479 CA ASP A 34 -0.310 -5.239 -8.568 1.00 0.00 C ATOM 480 C ASP A 34 -0.055 -5.763 -7.158 1.00 0.00 C ATOM 481 O ASP A 34 1.010 -5.538 -6.584 1.00 0.00 O ATOM 482 CB ASP A 34 0.801 -5.708 -9.509 1.00 0.00 C ATOM 483 CG ASP A 34 0.411 -5.590 -10.969 1.00 0.00 C ATOM 484 OD1 ASP A 34 0.599 -4.499 -11.546 1.00 0.00 O ATOM 485 OD2 ASP A 34 -0.082 -6.589 -11.535 1.00 0.00 O ATOM 0 H ASP A 34 0.502 -3.307 -8.489 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.263 -5.637 -8.917 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.700 -5.119 -9.327 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.049 -6.745 -9.285 1.00 0.00 H new ATOM 490 N VAL A 35 -1.041 -6.463 -6.605 1.00 0.00 N ATOM 491 CA VAL A 35 -0.924 -7.019 -5.263 1.00 0.00 C ATOM 492 C VAL A 35 0.069 -8.176 -5.232 1.00 0.00 C ATOM 493 O VAL A 35 -0.263 -9.302 -5.603 1.00 0.00 O ATOM 494 CB VAL A 35 -2.286 -7.512 -4.739 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.155 -8.030 -3.315 1.00 0.00 C ATOM 496 CG2 VAL A 35 -3.320 -6.399 -4.817 1.00 0.00 C ATOM 0 H VAL A 35 -1.930 -6.658 -7.066 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.564 -6.217 -4.619 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.622 -8.335 -5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.127 -8.374 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.447 -8.859 -3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.797 -7.229 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.277 -6.764 -4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.992 -5.554 -4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.434 -6.080 -5.853 1.00 0.00 H new ATOM 506 N ILE A 36 1.288 -7.890 -4.787 1.00 0.00 N ATOM 507 CA ILE A 36 2.328 -8.908 -4.706 1.00 0.00 C ATOM 508 C ILE A 36 2.050 -9.890 -3.573 1.00 0.00 C ATOM 509 O ILE A 36 1.742 -11.057 -3.813 1.00 0.00 O ATOM 510 CB ILE A 36 3.717 -8.277 -4.493 1.00 0.00 C ATOM 511 CG1 ILE A 36 4.033 -7.294 -5.623 1.00 0.00 C ATOM 512 CG2 ILE A 36 4.784 -9.358 -4.411 1.00 0.00 C ATOM 513 CD1 ILE A 36 5.209 -6.390 -5.326 1.00 0.00 C ATOM 0 H ILE A 36 1.579 -6.963 -4.477 1.00 0.00 H new ATOM 0 HA ILE A 36 2.321 -9.442 -5.656 1.00 0.00 H new ATOM 0 HB ILE A 36 3.710 -7.729 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.237 -7.855 -6.535 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.153 -6.680 -5.817 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.760 -8.896 -4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.565 -10.023 -3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.793 -9.931 -5.338 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.375 -5.720 -6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.000 -5.802 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.101 -6.995 -5.162 1.00 0.00 H new ATOM 525 N GLU A 37 2.160 -9.408 -2.339 1.00 0.00 N ATOM 526 CA GLU A 37 1.918 -10.245 -1.169 1.00 0.00 C ATOM 527 C GLU A 37 0.779 -9.683 -0.324 1.00 0.00 C ATOM 528 O GLU A 37 0.568 -8.471 -0.272 1.00 0.00 O ATOM 529 CB GLU A 37 3.189 -10.355 -0.323 1.00 0.00 C ATOM 530 CG GLU A 37 3.504 -11.774 0.120 1.00 0.00 C ATOM 531 CD GLU A 37 2.760 -12.170 1.381 1.00 0.00 C ATOM 532 OE1 GLU A 37 2.790 -11.390 2.356 1.00 0.00 O ATOM 533 OE2 GLU A 37 2.150 -13.259 1.393 1.00 0.00 O ATOM 0 H GLU A 37 2.415 -8.444 -2.124 1.00 0.00 H new ATOM 0 HA GLU A 37 1.633 -11.238 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.031 -9.967 -0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.084 -9.723 0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.247 -12.466 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.576 -11.868 0.291 1.00 0.00 H new ATOM 540 N LYS A 38 0.045 -10.573 0.336 1.00 0.00 N ATOM 541 CA LYS A 38 -1.073 -10.168 1.179 1.00 0.00 C ATOM 542 C LYS A 38 -0.848 -10.599 2.625 1.00 0.00 C ATOM 543 O LYS A 38 -0.932 -11.783 2.950 1.00 0.00 O ATOM 544 CB LYS A 38 -2.379 -10.770 0.654 1.00 0.00 C ATOM 545 CG LYS A 38 -2.771 -10.264 -0.723 1.00 0.00 C ATOM 546 CD LYS A 38 -4.032 -10.944 -1.229 1.00 0.00 C ATOM 547 CE LYS A 38 -4.566 -10.268 -2.483 1.00 0.00 C ATOM 548 NZ LYS A 38 -4.006 -10.877 -3.722 1.00 0.00 N ATOM 0 H LYS A 38 0.205 -11.580 0.303 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.143 -9.081 1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.281 -11.855 0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.181 -10.545 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.928 -9.186 -0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.955 -10.442 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.821 -11.992 -1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.795 -10.924 -0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.653 -10.343 -2.501 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.320 -9.207 -2.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.394 -10.389 -4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.970 -10.784 -3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.263 -11.884 -3.760 1.00 0.00 H new ATOM 562 N ASN A 39 -0.563 -9.630 3.489 1.00 0.00 N ATOM 563 CA ASN A 39 -0.327 -9.910 4.901 1.00 0.00 C ATOM 564 C ASN A 39 -1.640 -10.184 5.628 1.00 0.00 C ATOM 565 O ASN A 39 -2.682 -9.633 5.276 1.00 0.00 O ATOM 566 CB ASN A 39 0.399 -8.736 5.560 1.00 0.00 C ATOM 567 CG ASN A 39 1.241 -9.168 6.745 1.00 0.00 C ATOM 568 OD1 ASN A 39 1.773 -10.278 6.770 1.00 0.00 O ATOM 569 ND2 ASN A 39 1.366 -8.291 7.734 1.00 0.00 N ATOM 0 H ASN A 39 -0.490 -8.644 3.236 1.00 0.00 H new ATOM 0 HA ASN A 39 0.298 -10.800 4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.037 -8.247 4.824 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.333 -7.998 5.888 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.921 -8.526 8.557 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.907 -7.382 7.671 1.00 0.00 H new ATOM 576 N GLU A 40 -1.580 -11.039 6.644 1.00 0.00 N ATOM 577 CA GLU A 40 -2.764 -11.385 7.421 1.00 0.00 C ATOM 578 C GLU A 40 -3.240 -10.195 8.249 1.00 0.00 C ATOM 579 O GLU A 40 -4.428 -10.065 8.543 1.00 0.00 O ATOM 580 CB GLU A 40 -2.470 -12.574 8.338 1.00 0.00 C ATOM 581 CG GLU A 40 -1.225 -12.392 9.190 1.00 0.00 C ATOM 582 CD GLU A 40 -1.200 -13.317 10.391 1.00 0.00 C ATOM 583 OE1 GLU A 40 -1.548 -14.506 10.231 1.00 0.00 O ATOM 584 OE2 GLU A 40 -0.833 -12.853 11.491 1.00 0.00 O ATOM 0 H GLU A 40 -0.725 -11.504 6.948 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.556 -11.660 6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.327 -12.738 8.992 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.356 -13.472 7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.341 -12.573 8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.171 -11.358 9.531 1.00 0.00 H new ATOM 591 N SER A 41 -2.303 -9.329 8.622 1.00 0.00 N ATOM 592 CA SER A 41 -2.624 -8.152 9.420 1.00 0.00 C ATOM 593 C SER A 41 -3.624 -7.258 8.692 1.00 0.00 C ATOM 594 O SER A 41 -4.449 -6.594 9.316 1.00 0.00 O ATOM 595 CB SER A 41 -1.353 -7.362 9.737 1.00 0.00 C ATOM 596 OG SER A 41 -1.465 -6.692 10.980 1.00 0.00 O ATOM 0 H SER A 41 -1.315 -9.421 8.384 1.00 0.00 H new ATOM 0 HA SER A 41 -3.076 -8.489 10.353 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.498 -8.037 9.760 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.165 -6.637 8.945 1.00 0.00 H new ATOM 0 HG SER A 41 -0.639 -6.196 11.160 1.00 0.00 H new ATOM 602 N GLY A 42 -3.541 -7.248 7.365 1.00 0.00 N ATOM 603 CA GLY A 42 -4.443 -6.433 6.572 1.00 0.00 C ATOM 604 C GLY A 42 -3.710 -5.568 5.566 1.00 0.00 C ATOM 605 O GLY A 42 -4.304 -5.092 4.598 1.00 0.00 O ATOM 0 H GLY A 42 -2.866 -7.789 6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.145 -7.080 6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.030 -5.797 7.234 1.00 0.00 H new ATOM 609 N TRP A 43 -2.418 -5.363 5.795 1.00 0.00 N ATOM 610 CA TRP A 43 -1.604 -4.547 4.901 1.00 0.00 C ATOM 611 C TRP A 43 -0.982 -5.400 3.801 1.00 0.00 C ATOM 612 O TRP A 43 -0.201 -6.311 4.076 1.00 0.00 O ATOM 613 CB TRP A 43 -0.507 -3.830 5.689 1.00 0.00 C ATOM 614 CG TRP A 43 -1.038 -2.837 6.679 1.00 0.00 C ATOM 615 CD1 TRP A 43 -1.837 -3.099 7.755 1.00 0.00 C ATOM 616 CD2 TRP A 43 -0.810 -1.424 6.681 1.00 0.00 C ATOM 617 NE1 TRP A 43 -2.119 -1.934 8.426 1.00 0.00 N ATOM 618 CE2 TRP A 43 -1.500 -0.892 7.788 1.00 0.00 C ATOM 619 CE3 TRP A 43 -0.089 -0.556 5.857 1.00 0.00 C ATOM 620 CZ2 TRP A 43 -1.489 0.467 8.088 1.00 0.00 C ATOM 621 CZ3 TRP A 43 -0.079 0.793 6.156 1.00 0.00 C ATOM 622 CH2 TRP A 43 -0.775 1.294 7.264 1.00 0.00 C ATOM 0 H TRP A 43 -1.912 -5.750 6.591 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.252 -3.804 4.436 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.095 -4.570 6.215 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.156 -3.318 4.991 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -2.195 -4.078 8.037 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.696 -1.857 9.264 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.451 -0.933 5.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -2.025 0.855 8.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.475 1.473 5.525 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.747 2.353 7.472 1.00 0.00 H new ATOM 633 N TRP A 44 -1.333 -5.099 2.556 1.00 0.00 N ATOM 634 CA TRP A 44 -0.808 -5.839 1.414 1.00 0.00 C ATOM 635 C TRP A 44 0.311 -5.062 0.729 1.00 0.00 C ATOM 636 O TRP A 44 0.377 -3.836 0.825 1.00 0.00 O ATOM 637 CB TRP A 44 -1.927 -6.135 0.414 1.00 0.00 C ATOM 638 CG TRP A 44 -3.074 -6.892 1.012 1.00 0.00 C ATOM 639 CD1 TRP A 44 -3.054 -7.643 2.153 1.00 0.00 C ATOM 640 CD2 TRP A 44 -4.408 -6.973 0.499 1.00 0.00 C ATOM 641 NE1 TRP A 44 -4.296 -8.185 2.380 1.00 0.00 N ATOM 642 CE2 TRP A 44 -5.144 -7.789 1.381 1.00 0.00 C ATOM 643 CE3 TRP A 44 -5.053 -6.434 -0.617 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -6.491 -8.078 1.177 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -6.389 -6.722 -0.818 1.00 0.00 C ATOM 646 CH2 TRP A 44 -7.097 -7.537 0.076 1.00 0.00 C ATOM 0 H TRP A 44 -1.979 -4.348 2.312 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.399 -6.781 1.780 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.296 -5.195 0.004 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.518 -6.707 -0.419 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.189 -7.789 2.784 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.546 -8.785 3.166 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.517 -5.803 -1.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.038 -8.707 1.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.897 -6.312 -1.679 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.141 -7.742 -0.108 1.00 0.00 H new ATOM 657 N PHE A 45 1.188 -5.782 0.038 1.00 0.00 N ATOM 658 CA PHE A 45 2.305 -5.159 -0.663 1.00 0.00 C ATOM 659 C PHE A 45 2.025 -5.068 -2.160 1.00 0.00 C ATOM 660 O PHE A 45 2.085 -6.067 -2.876 1.00 0.00 O ATOM 661 CB PHE A 45 3.592 -5.950 -0.420 1.00 0.00 C ATOM 662 CG PHE A 45 4.817 -5.289 -0.985 1.00 0.00 C ATOM 663 CD1 PHE A 45 5.124 -3.977 -0.661 1.00 0.00 C ATOM 664 CD2 PHE A 45 5.663 -5.980 -1.838 1.00 0.00 C ATOM 665 CE1 PHE A 45 6.250 -3.366 -1.180 1.00 0.00 C ATOM 666 CE2 PHE A 45 6.791 -5.375 -2.359 1.00 0.00 C ATOM 667 CZ PHE A 45 7.085 -4.066 -2.028 1.00 0.00 C ATOM 0 H PHE A 45 1.147 -6.797 -0.052 1.00 0.00 H new ATOM 0 HA PHE A 45 2.429 -4.149 -0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.726 -6.090 0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.488 -6.942 -0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.476 -3.426 0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.438 -7.004 -2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.476 -2.342 -0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.441 -5.924 -3.024 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.967 -3.591 -2.432 1.00 0.00 H new ATOM 677 N VAL A 46 1.719 -3.861 -2.626 1.00 0.00 N ATOM 678 CA VAL A 46 1.430 -3.638 -4.038 1.00 0.00 C ATOM 679 C VAL A 46 2.614 -2.988 -4.745 1.00 0.00 C ATOM 680 O VAL A 46 3.414 -2.290 -4.124 1.00 0.00 O ATOM 681 CB VAL A 46 0.185 -2.750 -4.222 1.00 0.00 C ATOM 682 CG1 VAL A 46 -1.027 -3.384 -3.557 1.00 0.00 C ATOM 683 CG2 VAL A 46 0.439 -1.356 -3.669 1.00 0.00 C ATOM 0 H VAL A 46 1.665 -3.023 -2.047 1.00 0.00 H new ATOM 0 HA VAL A 46 1.239 -4.615 -4.481 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.022 -2.661 -5.288 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.897 -2.742 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.219 -4.359 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.835 -3.506 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.451 -0.742 -3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.672 -1.423 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.278 -0.903 -4.197 1.00 0.00 H new ATOM 693 N SER A 47 2.718 -3.223 -6.049 1.00 0.00 N ATOM 694 CA SER A 47 3.807 -2.663 -6.842 1.00 0.00 C ATOM 695 C SER A 47 3.264 -1.855 -8.016 1.00 0.00 C ATOM 696 O SER A 47 2.334 -2.280 -8.702 1.00 0.00 O ATOM 697 CB SER A 47 4.718 -3.780 -7.355 1.00 0.00 C ATOM 698 OG SER A 47 5.334 -3.414 -8.578 1.00 0.00 O ATOM 0 H SER A 47 2.062 -3.797 -6.579 1.00 0.00 H new ATOM 0 HA SER A 47 4.385 -1.997 -6.202 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.483 -4.001 -6.611 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.137 -4.692 -7.495 1.00 0.00 H new ATOM 0 HG SER A 47 5.912 -4.144 -8.884 1.00 0.00 H new ATOM 704 N THR A 48 3.851 -0.684 -8.242 1.00 0.00 N ATOM 705 CA THR A 48 3.427 0.187 -9.332 1.00 0.00 C ATOM 706 C THR A 48 4.592 0.515 -10.258 1.00 0.00 C ATOM 707 O THR A 48 5.751 0.261 -9.929 1.00 0.00 O ATOM 708 CB THR A 48 2.823 1.500 -8.799 1.00 0.00 C ATOM 709 OG1 THR A 48 3.860 2.342 -8.284 1.00 0.00 O ATOM 710 CG2 THR A 48 1.800 1.221 -7.708 1.00 0.00 C ATOM 0 H THR A 48 4.622 -0.316 -7.684 1.00 0.00 H new ATOM 0 HA THR A 48 2.664 -0.354 -9.891 1.00 0.00 H new ATOM 0 HB THR A 48 2.322 2.005 -9.624 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.442 1.820 -7.693 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.387 2.163 -7.347 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.997 0.604 -8.111 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.282 0.696 -6.883 1.00 0.00 H new ATOM 718 N SER A 49 4.278 1.083 -11.418 1.00 0.00 N ATOM 719 CA SER A 49 5.300 1.444 -12.394 1.00 0.00 C ATOM 720 C SER A 49 6.352 2.354 -11.767 1.00 0.00 C ATOM 721 O SER A 49 7.500 2.387 -12.209 1.00 0.00 O ATOM 722 CB SER A 49 4.661 2.138 -13.599 1.00 0.00 C ATOM 723 OG SER A 49 4.083 1.194 -14.483 1.00 0.00 O ATOM 0 H SER A 49 3.324 1.303 -11.705 1.00 0.00 H new ATOM 0 HA SER A 49 5.789 0.529 -12.728 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.897 2.837 -13.258 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.414 2.723 -14.128 1.00 0.00 H new ATOM 0 HG SER A 49 3.680 1.662 -15.244 1.00 0.00 H new ATOM 729 N GLU A 50 5.951 3.090 -10.736 1.00 0.00 N ATOM 730 CA GLU A 50 6.859 4.001 -10.049 1.00 0.00 C ATOM 731 C GLU A 50 7.726 3.249 -9.044 1.00 0.00 C ATOM 732 O GLU A 50 8.937 3.126 -9.223 1.00 0.00 O ATOM 733 CB GLU A 50 6.070 5.101 -9.336 1.00 0.00 C ATOM 734 CG GLU A 50 6.945 6.205 -8.765 1.00 0.00 C ATOM 735 CD GLU A 50 7.999 6.680 -9.746 1.00 0.00 C ATOM 736 OE1 GLU A 50 7.633 7.013 -10.893 1.00 0.00 O ATOM 737 OE2 GLU A 50 9.188 6.720 -9.368 1.00 0.00 O ATOM 0 H GLU A 50 5.004 3.074 -10.358 1.00 0.00 H new ATOM 0 HA GLU A 50 7.510 4.456 -10.795 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.359 5.538 -10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.489 4.655 -8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.317 7.048 -8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.433 5.845 -7.859 1.00 0.00 H new ATOM 744 N GLU A 51 7.097 2.748 -7.985 1.00 0.00 N ATOM 745 CA GLU A 51 7.811 2.010 -6.951 1.00 0.00 C ATOM 746 C GLU A 51 6.886 1.015 -6.256 1.00 0.00 C ATOM 747 O GLU A 51 5.726 0.861 -6.635 1.00 0.00 O ATOM 748 CB GLU A 51 8.405 2.974 -5.923 1.00 0.00 C ATOM 749 CG GLU A 51 9.530 3.835 -6.474 1.00 0.00 C ATOM 750 CD GLU A 51 10.701 3.012 -6.975 1.00 0.00 C ATOM 751 OE1 GLU A 51 10.840 1.850 -6.538 1.00 0.00 O ATOM 752 OE2 GLU A 51 11.480 3.530 -7.803 1.00 0.00 O ATOM 0 H GLU A 51 6.094 2.840 -7.821 1.00 0.00 H new ATOM 0 HA GLU A 51 8.619 1.456 -7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.614 3.622 -5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.779 2.401 -5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.147 4.449 -7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.876 4.516 -5.697 1.00 0.00 H new ATOM 759 N GLN A 52 7.410 0.341 -5.236 1.00 0.00 N ATOM 760 CA GLN A 52 6.632 -0.640 -4.489 1.00 0.00 C ATOM 761 C GLN A 52 6.583 -0.281 -3.008 1.00 0.00 C ATOM 762 O GLN A 52 7.597 0.077 -2.411 1.00 0.00 O ATOM 763 CB GLN A 52 7.228 -2.037 -4.668 1.00 0.00 C ATOM 764 CG GLN A 52 7.586 -2.366 -6.109 1.00 0.00 C ATOM 765 CD GLN A 52 8.080 -3.789 -6.277 1.00 0.00 C ATOM 766 OE1 GLN A 52 8.338 -4.489 -5.297 1.00 0.00 O ATOM 767 NE2 GLN A 52 8.216 -4.226 -7.524 1.00 0.00 N ATOM 0 H GLN A 52 8.369 0.457 -4.909 1.00 0.00 H new ATOM 0 HA GLN A 52 5.614 -0.634 -4.879 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.123 -2.123 -4.051 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.516 -2.776 -4.301 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.711 -2.212 -6.741 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.355 -1.675 -6.455 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.991 -3.612 -8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.546 -5.175 -7.699 1.00 0.00 H new ATOM 776 N GLY A 53 5.395 -0.380 -2.419 1.00 0.00 N ATOM 777 CA GLY A 53 5.235 -0.062 -1.012 1.00 0.00 C ATOM 778 C GLY A 53 4.123 -0.860 -0.360 1.00 0.00 C ATOM 779 O GLY A 53 3.298 -1.462 -1.046 1.00 0.00 O ATOM 0 H GLY A 53 4.540 -0.675 -2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.172 -0.257 -0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.025 1.002 -0.905 1.00 0.00 H new ATOM 783 N TRP A 54 4.103 -0.866 0.968 1.00 0.00 N ATOM 784 CA TRP A 54 3.084 -1.598 1.713 1.00 0.00 C ATOM 785 C TRP A 54 1.914 -0.690 2.072 1.00 0.00 C ATOM 786 O TRP A 54 2.090 0.333 2.734 1.00 0.00 O ATOM 787 CB TRP A 54 3.687 -2.201 2.983 1.00 0.00 C ATOM 788 CG TRP A 54 4.630 -3.333 2.714 1.00 0.00 C ATOM 789 CD1 TRP A 54 5.941 -3.238 2.344 1.00 0.00 C ATOM 790 CD2 TRP A 54 4.334 -4.732 2.792 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.478 -4.493 2.187 1.00 0.00 N ATOM 792 CE2 TRP A 54 5.513 -5.427 2.457 1.00 0.00 C ATOM 793 CE3 TRP A 54 3.189 -5.465 3.115 1.00 0.00 C ATOM 794 CZ2 TRP A 54 5.577 -6.817 2.435 1.00 0.00 C ATOM 795 CZ3 TRP A 54 3.254 -6.846 3.092 1.00 0.00 C ATOM 796 CH2 TRP A 54 4.441 -7.510 2.755 1.00 0.00 C ATOM 0 H TRP A 54 4.780 -0.373 1.551 1.00 0.00 H new ATOM 0 HA TRP A 54 2.713 -2.402 1.078 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.215 -1.421 3.532 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.881 -2.554 3.627 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.477 -2.312 2.196 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.439 -4.696 1.914 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.270 -4.962 3.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.491 -7.331 2.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.375 -7.423 3.338 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.460 -8.590 2.748 1.00 0.00 H new ATOM 807 N VAL A 55 0.719 -1.069 1.631 1.00 0.00 N ATOM 808 CA VAL A 55 -0.481 -0.288 1.907 1.00 0.00 C ATOM 809 C VAL A 55 -1.588 -1.166 2.481 1.00 0.00 C ATOM 810 O VAL A 55 -1.622 -2.380 2.275 1.00 0.00 O ATOM 811 CB VAL A 55 -1.001 0.410 0.637 1.00 0.00 C ATOM 812 CG1 VAL A 55 -0.159 1.635 0.318 1.00 0.00 C ATOM 813 CG2 VAL A 55 -1.014 -0.559 -0.536 1.00 0.00 C ATOM 0 H VAL A 55 0.556 -1.912 1.081 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.204 0.469 2.641 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.024 0.740 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.542 2.115 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.207 2.336 1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.876 1.333 0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.384 -0.049 -1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.002 -0.921 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.665 -1.402 -0.304 1.00 0.00 H new ATOM 823 N PRO A 56 -2.517 -0.540 3.219 1.00 0.00 N ATOM 824 CA PRO A 56 -3.644 -1.245 3.837 1.00 0.00 C ATOM 825 C PRO A 56 -4.654 -1.740 2.807 1.00 0.00 C ATOM 826 O PRO A 56 -5.069 -0.992 1.922 1.00 0.00 O ATOM 827 CB PRO A 56 -4.276 -0.182 4.738 1.00 0.00 C ATOM 828 CG PRO A 56 -3.898 1.117 4.114 1.00 0.00 C ATOM 829 CD PRO A 56 -2.539 0.904 3.506 1.00 0.00 C ATOM 0 HA PRO A 56 -3.322 -2.139 4.371 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.359 -0.297 4.787 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.901 -0.255 5.759 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.623 1.411 3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.873 1.914 4.857 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.407 1.496 2.600 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.742 1.190 4.193 1.00 0.00 H new ATOM 837 N ALA A 57 -5.046 -3.004 2.928 1.00 0.00 N ATOM 838 CA ALA A 57 -6.009 -3.597 2.009 1.00 0.00 C ATOM 839 C ALA A 57 -7.261 -2.733 1.893 1.00 0.00 C ATOM 840 O ALA A 57 -7.919 -2.711 0.853 1.00 0.00 O ATOM 841 CB ALA A 57 -6.375 -5.002 2.462 1.00 0.00 C ATOM 0 H ALA A 57 -4.711 -3.637 3.654 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.546 -3.654 1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.095 -5.433 1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.479 -5.622 2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.814 -4.960 3.459 1.00 0.00 H new ATOM 847 N THR A 58 -7.585 -2.023 2.969 1.00 0.00 N ATOM 848 CA THR A 58 -8.759 -1.159 2.989 1.00 0.00 C ATOM 849 C THR A 58 -8.719 -0.150 1.847 1.00 0.00 C ATOM 850 O THR A 58 -9.758 0.330 1.393 1.00 0.00 O ATOM 851 CB THR A 58 -8.876 -0.402 4.325 1.00 0.00 C ATOM 852 OG1 THR A 58 -7.641 0.257 4.625 1.00 0.00 O ATOM 853 CG2 THR A 58 -9.237 -1.352 5.457 1.00 0.00 C ATOM 0 H THR A 58 -7.051 -2.029 3.838 1.00 0.00 H new ATOM 0 HA THR A 58 -9.629 -1.805 2.868 1.00 0.00 H new ATOM 0 HB THR A 58 -9.669 0.339 4.228 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.725 0.737 5.475 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.314 -0.794 6.390 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.192 -1.830 5.240 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.464 -2.114 5.553 1.00 0.00 H new ATOM 861 N TYR A 59 -7.514 0.167 1.387 1.00 0.00 N ATOM 862 CA TYR A 59 -7.339 1.121 0.298 1.00 0.00 C ATOM 863 C TYR A 59 -7.161 0.400 -1.035 1.00 0.00 C ATOM 864 O TYR A 59 -6.475 0.891 -1.933 1.00 0.00 O ATOM 865 CB TYR A 59 -6.132 2.020 0.570 1.00 0.00 C ATOM 866 CG TYR A 59 -6.432 3.172 1.502 1.00 0.00 C ATOM 867 CD1 TYR A 59 -6.619 2.961 2.862 1.00 0.00 C ATOM 868 CD2 TYR A 59 -6.528 4.473 1.021 1.00 0.00 C ATOM 869 CE1 TYR A 59 -6.894 4.011 3.717 1.00 0.00 C ATOM 870 CE2 TYR A 59 -6.802 5.529 1.869 1.00 0.00 C ATOM 871 CZ TYR A 59 -6.985 5.293 3.216 1.00 0.00 C ATOM 872 OH TYR A 59 -7.258 6.341 4.064 1.00 0.00 O ATOM 0 H TYR A 59 -6.644 -0.222 1.751 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.237 1.737 0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.330 1.418 0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.764 2.416 -0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.548 1.959 3.258 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.386 4.661 -0.033 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.037 3.829 4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.873 6.534 1.479 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.287 7.177 3.553 1.00 0.00 H new ATOM 882 N LEU A 60 -7.783 -0.767 -1.156 1.00 0.00 N ATOM 883 CA LEU A 60 -7.696 -1.557 -2.379 1.00 0.00 C ATOM 884 C LEU A 60 -9.025 -2.241 -2.682 1.00 0.00 C ATOM 885 O LEU A 60 -9.685 -2.761 -1.783 1.00 0.00 O ATOM 886 CB LEU A 60 -6.587 -2.604 -2.255 1.00 0.00 C ATOM 887 CG LEU A 60 -5.211 -2.079 -1.845 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.253 -3.233 -1.594 1.00 0.00 C ATOM 889 CD2 LEU A 60 -4.657 -1.146 -2.911 1.00 0.00 C ATOM 0 H LEU A 60 -8.353 -1.187 -0.422 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.460 -0.882 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.900 -3.351 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.488 -3.115 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.319 -1.515 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.279 -2.840 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.644 -3.863 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.149 -3.824 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.677 -0.782 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.563 -1.685 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.333 -0.301 -3.042 1.00 0.00 H new ATOM 901 N GLU A 61 -9.410 -2.237 -3.955 1.00 0.00 N ATOM 902 CA GLU A 61 -10.661 -2.858 -4.376 1.00 0.00 C ATOM 903 C GLU A 61 -10.419 -3.858 -5.503 1.00 0.00 C ATOM 904 O GLU A 61 -9.474 -3.718 -6.279 1.00 0.00 O ATOM 905 CB GLU A 61 -11.658 -1.791 -4.831 1.00 0.00 C ATOM 906 CG GLU A 61 -13.033 -2.346 -5.165 1.00 0.00 C ATOM 907 CD GLU A 61 -13.578 -3.249 -4.076 1.00 0.00 C ATOM 908 OE1 GLU A 61 -13.512 -2.858 -2.892 1.00 0.00 O ATOM 909 OE2 GLU A 61 -14.072 -4.347 -4.408 1.00 0.00 O ATOM 0 H GLU A 61 -8.874 -1.811 -4.711 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.077 -3.393 -3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.759 -1.042 -4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.258 -1.282 -5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.725 -1.519 -5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.978 -2.903 -6.100 1.00 0.00 H new ATOM 916 N ALA A 62 -11.279 -4.867 -5.585 1.00 0.00 N ATOM 917 CA ALA A 62 -11.161 -5.890 -6.617 1.00 0.00 C ATOM 918 C ALA A 62 -11.713 -5.392 -7.949 1.00 0.00 C ATOM 919 O ALA A 62 -12.926 -5.344 -8.148 1.00 0.00 O ATOM 920 CB ALA A 62 -11.881 -7.160 -6.187 1.00 0.00 C ATOM 0 H ALA A 62 -12.066 -4.998 -4.949 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.103 -6.114 -6.752 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.784 -7.915 -6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.439 -7.534 -5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.936 -6.942 -6.022 1.00 0.00 H new