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 Set 1.1: A 16 ASN : amide:sc= 0.672 K(o=1.2,f=-8.6!) USER MOD Set 1.2: A 28 GLN :FLIP amide:sc= 0.528 F(o=-1.2,f=1.2) 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 -133:sc= 0.196 USER MOD Single : A 17 TYR OH : rot -126:sc= 1.37 USER MOD Single : A 26 SER OG : rot 35:sc= 0.747 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0.0944 K(o=0.094,f=-4!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -48:sc= 0.782 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.998 K(o=-1,f=-2.2) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.390 -11.684 -11.326 1.00 0.00 N ATOM 67 CA LEU A 8 -0.655 -10.879 -10.138 1.00 0.00 C ATOM 68 C LEU A 8 -2.034 -10.233 -10.214 1.00 0.00 C ATOM 69 O LEU A 8 -2.476 -9.816 -11.284 1.00 0.00 O ATOM 70 CB LEU A 8 0.418 -9.800 -9.980 1.00 0.00 C ATOM 71 CG LEU A 8 1.854 -10.300 -9.816 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.845 -9.215 -10.208 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.099 -10.758 -8.386 1.00 0.00 C ATOM 0 HA LEU A 8 -0.630 -11.538 -9.270 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.379 -9.147 -10.852 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.166 -9.189 -9.113 1.00 0.00 H new ATOM 0 HG LEU A 8 2.000 -11.153 -10.479 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.861 -9.589 -10.085 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.685 -8.935 -11.249 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.700 -8.342 -9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.126 -11.110 -8.288 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.935 -9.924 -7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.412 -11.568 -8.141 1.00 0.00 H new ATOM 85 N GLU A 9 -2.708 -10.152 -9.071 1.00 0.00 N ATOM 86 CA GLU A 9 -4.037 -9.555 -9.009 1.00 0.00 C ATOM 87 C GLU A 9 -3.949 -8.032 -8.988 1.00 0.00 C ATOM 88 O GLU A 9 -3.546 -7.438 -7.988 1.00 0.00 O ATOM 89 CB GLU A 9 -4.786 -10.051 -7.770 1.00 0.00 C ATOM 90 CG GLU A 9 -5.132 -11.529 -7.819 1.00 0.00 C ATOM 91 CD GLU A 9 -6.297 -11.825 -8.744 1.00 0.00 C ATOM 92 OE1 GLU A 9 -6.560 -11.003 -9.646 1.00 0.00 O ATOM 93 OE2 GLU A 9 -6.944 -12.878 -8.566 1.00 0.00 O ATOM 0 H GLU A 9 -2.356 -10.492 -8.176 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.585 -9.858 -9.901 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.177 -9.858 -6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.704 -9.475 -7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.259 -12.092 -8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.374 -11.875 -6.814 1.00 0.00 H new ATOM 100 N GLN A 10 -4.329 -7.408 -10.098 1.00 0.00 N ATOM 101 CA GLN A 10 -4.291 -5.954 -10.207 1.00 0.00 C ATOM 102 C GLN A 10 -5.466 -5.322 -9.468 1.00 0.00 C ATOM 103 O GLN A 10 -6.615 -5.433 -9.897 1.00 0.00 O ATOM 104 CB GLN A 10 -4.312 -5.531 -11.677 1.00 0.00 C ATOM 105 CG GLN A 10 -3.122 -6.042 -12.474 1.00 0.00 C ATOM 106 CD GLN A 10 -3.415 -6.149 -13.957 1.00 0.00 C ATOM 107 OE1 GLN A 10 -3.702 -7.232 -14.468 1.00 0.00 O ATOM 108 NE2 GLN A 10 -3.345 -5.023 -14.657 1.00 0.00 N ATOM 0 H GLN A 10 -4.666 -7.886 -10.934 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.366 -5.605 -9.748 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.230 -5.894 -12.138 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.336 -4.443 -11.733 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.274 -5.374 -12.322 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.828 -7.021 -12.094 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.103 -4.148 -14.192 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.533 -5.033 -15.660 1.00 0.00 H new ATOM 117 N TYR A 11 -5.170 -4.660 -8.355 1.00 0.00 N ATOM 118 CA TYR A 11 -6.202 -4.012 -7.554 1.00 0.00 C ATOM 119 C TYR A 11 -6.240 -2.511 -7.824 1.00 0.00 C ATOM 120 O TYR A 11 -5.206 -1.885 -8.058 1.00 0.00 O ATOM 121 CB TYR A 11 -5.958 -4.268 -6.066 1.00 0.00 C ATOM 122 CG TYR A 11 -6.623 -5.525 -5.551 1.00 0.00 C ATOM 123 CD1 TYR A 11 -6.272 -6.774 -6.047 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.601 -5.463 -4.566 1.00 0.00 C ATOM 125 CE1 TYR A 11 -6.877 -7.925 -5.580 1.00 0.00 C ATOM 126 CE2 TYR A 11 -8.211 -6.609 -4.092 1.00 0.00 C ATOM 127 CZ TYR A 11 -7.846 -7.837 -4.602 1.00 0.00 C ATOM 128 OH TYR A 11 -8.450 -8.981 -4.133 1.00 0.00 O ATOM 0 H TYR A 11 -4.224 -4.558 -7.987 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.165 -4.438 -7.836 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.885 -4.336 -5.889 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.322 -3.414 -5.494 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.513 -6.847 -6.811 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.889 -4.503 -4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.593 -8.888 -5.978 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.970 -6.543 -3.326 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.108 -8.745 -3.446 1.00 0.00 H new ATOM 138 N VAL A 12 -7.439 -1.940 -7.787 1.00 0.00 N ATOM 139 CA VAL A 12 -7.613 -0.512 -8.026 1.00 0.00 C ATOM 140 C VAL A 12 -7.749 0.252 -6.714 1.00 0.00 C ATOM 141 O VAL A 12 -8.470 -0.170 -5.809 1.00 0.00 O ATOM 142 CB VAL A 12 -8.852 -0.236 -8.899 1.00 0.00 C ATOM 143 CG1 VAL A 12 -10.125 -0.601 -8.151 1.00 0.00 C ATOM 144 CG2 VAL A 12 -8.880 1.221 -9.337 1.00 0.00 C ATOM 0 H VAL A 12 -8.305 -2.444 -7.594 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.723 -0.168 -8.553 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.793 -0.859 -9.791 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.989 -0.399 -8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.104 -1.660 -7.892 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.195 -0.006 -7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.762 1.399 -9.953 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.916 1.865 -8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.983 1.445 -9.914 1.00 0.00 H new ATOM 154 N VAL A 13 -7.053 1.380 -6.617 1.00 0.00 N ATOM 155 CA VAL A 13 -7.096 2.205 -5.415 1.00 0.00 C ATOM 156 C VAL A 13 -8.454 2.881 -5.262 1.00 0.00 C ATOM 157 O VAL A 13 -9.116 3.200 -6.250 1.00 0.00 O ATOM 158 CB VAL A 13 -5.997 3.283 -5.435 1.00 0.00 C ATOM 159 CG1 VAL A 13 -5.961 4.033 -4.111 1.00 0.00 C ATOM 160 CG2 VAL A 13 -4.644 2.659 -5.740 1.00 0.00 C ATOM 0 H VAL A 13 -6.452 1.744 -7.357 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.927 1.540 -4.568 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.228 3.998 -6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.178 4.791 -4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.924 4.513 -3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.755 3.333 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.879 3.436 -5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.402 1.922 -4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.679 2.172 -6.714 1.00 0.00 H new ATOM 170 N VAL A 14 -8.864 3.097 -4.016 1.00 0.00 N ATOM 171 CA VAL A 14 -10.143 3.738 -3.733 1.00 0.00 C ATOM 172 C VAL A 14 -9.943 5.098 -3.075 1.00 0.00 C ATOM 173 O VAL A 14 -10.800 5.977 -3.170 1.00 0.00 O ATOM 174 CB VAL A 14 -11.019 2.861 -2.817 1.00 0.00 C ATOM 175 CG1 VAL A 14 -11.559 1.663 -3.582 1.00 0.00 C ATOM 176 CG2 VAL A 14 -10.230 2.414 -1.596 1.00 0.00 C ATOM 0 H VAL A 14 -8.329 2.838 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.649 3.872 -4.689 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.867 3.455 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.175 1.056 -2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.162 2.009 -4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.728 1.064 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.863 1.796 -0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.362 1.837 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.898 3.289 -1.037 1.00 0.00 H new ATOM 186 N SER A 15 -8.805 5.266 -2.409 1.00 0.00 N ATOM 187 CA SER A 15 -8.492 6.519 -1.733 1.00 0.00 C ATOM 188 C SER A 15 -7.000 6.825 -1.817 1.00 0.00 C ATOM 189 O SER A 15 -6.174 5.918 -1.918 1.00 0.00 O ATOM 190 CB SER A 15 -8.929 6.456 -0.268 1.00 0.00 C ATOM 191 OG SER A 15 -8.361 7.516 0.480 1.00 0.00 O ATOM 0 H SER A 15 -8.084 4.549 -2.323 1.00 0.00 H new ATOM 0 HA SER A 15 -9.038 7.319 -2.234 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.016 6.506 -0.207 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.629 5.501 0.163 1.00 0.00 H new ATOM 0 HG SER A 15 -7.983 7.163 1.312 1.00 0.00 H new ATOM 197 N ASN A 16 -6.662 8.109 -1.775 1.00 0.00 N ATOM 198 CA ASN A 16 -5.269 8.536 -1.847 1.00 0.00 C ATOM 199 C ASN A 16 -4.500 8.095 -0.605 1.00 0.00 C ATOM 200 O ASN A 16 -5.083 7.899 0.462 1.00 0.00 O ATOM 201 CB ASN A 16 -5.187 10.057 -1.998 1.00 0.00 C ATOM 202 CG ASN A 16 -6.265 10.606 -2.912 1.00 0.00 C ATOM 203 OD1 ASN A 16 -6.320 10.272 -4.096 1.00 0.00 O ATOM 204 ND2 ASN A 16 -7.130 11.453 -2.365 1.00 0.00 N ATOM 0 H ASN A 16 -7.333 8.872 -1.691 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.816 8.066 -2.720 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.275 10.522 -1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.208 10.328 -2.392 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.878 11.855 -2.931 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.046 11.702 -1.379 1.00 0.00 H new ATOM 211 N TYR A 17 -3.189 7.942 -0.751 1.00 0.00 N ATOM 212 CA TYR A 17 -2.340 7.522 0.357 1.00 0.00 C ATOM 213 C TYR A 17 -1.071 8.366 0.421 1.00 0.00 C ATOM 214 O TYR A 17 -0.655 8.961 -0.574 1.00 0.00 O ATOM 215 CB TYR A 17 -1.976 6.043 0.217 1.00 0.00 C ATOM 216 CG TYR A 17 -1.584 5.390 1.523 1.00 0.00 C ATOM 217 CD1 TYR A 17 -0.263 5.391 1.954 1.00 0.00 C ATOM 218 CD2 TYR A 17 -2.534 4.770 2.325 1.00 0.00 C ATOM 219 CE1 TYR A 17 0.100 4.794 3.146 1.00 0.00 C ATOM 220 CE2 TYR A 17 -2.181 4.172 3.519 1.00 0.00 C ATOM 221 CZ TYR A 17 -0.863 4.187 3.925 1.00 0.00 C ATOM 222 OH TYR A 17 -0.506 3.591 5.113 1.00 0.00 O ATOM 0 H TYR A 17 -2.691 8.103 -1.626 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.897 7.666 1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.825 5.507 -0.207 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.152 5.946 -0.490 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.493 5.867 1.347 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.567 4.755 2.009 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.132 4.803 3.466 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.933 3.696 4.131 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.828 2.666 5.125 1.00 0.00 H new ATOM 333 N GLU A 24 6.212 3.015 2.048 1.00 0.00 N ATOM 334 CA GLU A 24 4.888 2.887 1.451 1.00 0.00 C ATOM 335 C GLU A 24 4.817 3.630 0.120 1.00 0.00 C ATOM 336 O GLU A 24 5.814 4.180 -0.351 1.00 0.00 O ATOM 337 CB GLU A 24 3.820 3.425 2.406 1.00 0.00 C ATOM 338 CG GLU A 24 3.540 2.509 3.585 1.00 0.00 C ATOM 339 CD GLU A 24 4.404 2.828 4.789 1.00 0.00 C ATOM 340 OE1 GLU A 24 5.275 3.715 4.677 1.00 0.00 O ATOM 341 OE2 GLU A 24 4.209 2.189 5.845 1.00 0.00 O ATOM 0 HA GLU A 24 4.701 1.829 1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.137 4.398 2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.895 3.582 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.490 2.593 3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.709 1.475 3.285 1.00 0.00 H new ATOM 348 N LEU A 25 3.633 3.642 -0.481 1.00 0.00 N ATOM 349 CA LEU A 25 3.431 4.317 -1.759 1.00 0.00 C ATOM 350 C LEU A 25 2.312 5.350 -1.658 1.00 0.00 C ATOM 351 O LEU A 25 1.258 5.083 -1.083 1.00 0.00 O ATOM 352 CB LEU A 25 3.102 3.297 -2.850 1.00 0.00 C ATOM 353 CG LEU A 25 4.296 2.579 -3.480 1.00 0.00 C ATOM 354 CD1 LEU A 25 3.826 1.555 -4.501 1.00 0.00 C ATOM 355 CD2 LEU A 25 5.243 3.581 -4.124 1.00 0.00 C ATOM 0 H LEU A 25 2.798 3.192 -0.105 1.00 0.00 H new ATOM 0 HA LEU A 25 4.355 4.833 -2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.434 2.546 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.551 3.806 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 25 4.836 2.054 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.690 1.054 -4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.189 0.818 -4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.261 2.057 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.087 3.052 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.714 4.135 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.608 4.275 -3.367 1.00 0.00 H new ATOM 367 N SER A 26 2.550 6.529 -2.224 1.00 0.00 N ATOM 368 CA SER A 26 1.563 7.602 -2.196 1.00 0.00 C ATOM 369 C SER A 26 0.529 7.418 -3.303 1.00 0.00 C ATOM 370 O SER A 26 0.334 8.300 -4.140 1.00 0.00 O ATOM 371 CB SER A 26 2.252 8.960 -2.348 1.00 0.00 C ATOM 372 OG SER A 26 1.303 10.013 -2.370 1.00 0.00 O ATOM 0 H SER A 26 3.417 6.765 -2.707 1.00 0.00 H new ATOM 0 HA SER A 26 1.051 7.567 -1.234 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.950 9.112 -1.524 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.837 8.974 -3.268 1.00 0.00 H new ATOM 0 HG SER A 26 0.558 9.795 -1.771 1.00 0.00 H new ATOM 378 N LEU A 27 -0.131 6.265 -3.300 1.00 0.00 N ATOM 379 CA LEU A 27 -1.147 5.962 -4.302 1.00 0.00 C ATOM 380 C LEU A 27 -2.178 7.083 -4.388 1.00 0.00 C ATOM 381 O LEU A 27 -2.203 7.982 -3.548 1.00 0.00 O ATOM 382 CB LEU A 27 -1.841 4.640 -3.971 1.00 0.00 C ATOM 383 CG LEU A 27 -0.921 3.446 -3.714 1.00 0.00 C ATOM 384 CD1 LEU A 27 -1.736 2.177 -3.518 1.00 0.00 C ATOM 385 CD2 LEU A 27 0.067 3.276 -4.859 1.00 0.00 C ATOM 0 H LEU A 27 0.019 5.525 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.652 5.873 -5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.463 4.790 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.510 4.388 -4.794 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.358 3.637 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.065 1.338 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.402 2.300 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.327 1.982 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.713 2.421 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.478 3.108 -5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.674 4.176 -4.952 1.00 0.00 H new ATOM 397 N GLN A 28 -3.029 7.021 -5.407 1.00 0.00 N ATOM 398 CA GLN A 28 -4.064 8.030 -5.601 1.00 0.00 C ATOM 399 C GLN A 28 -5.368 7.390 -6.064 1.00 0.00 C ATOM 400 O GLN A 28 -5.360 6.397 -6.792 1.00 0.00 O ATOM 401 CB GLN A 28 -3.604 9.073 -6.621 1.00 0.00 C ATOM 402 CG GLN A 28 -4.272 10.427 -6.450 1.00 0.00 C ATOM 403 CD GLN A 28 -5.594 10.523 -7.186 1.00 0.00 C ATOM 404 OE1 GLN A 28 -5.580 10.197 -8.473 1.00 0.00 O flip ATOM 405 NE2 GLN A 28 -6.617 10.886 -6.605 1.00 0.00 N flip ATOM 0 H GLN A 28 -3.022 6.283 -6.111 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.241 8.521 -4.644 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.524 9.197 -6.539 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.807 8.701 -7.625 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.437 10.615 -5.389 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.602 11.207 -6.812 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.583 11.127 -5.615 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.499 10.945 -7.114 1.00 0.00 H new ATOM 414 N ALA A 29 -6.488 7.964 -5.637 1.00 0.00 N ATOM 415 CA ALA A 29 -7.800 7.451 -6.008 1.00 0.00 C ATOM 416 C ALA A 29 -7.915 7.281 -7.520 1.00 0.00 C ATOM 417 O ALA A 29 -7.775 8.243 -8.274 1.00 0.00 O ATOM 418 CB ALA A 29 -8.894 8.376 -5.494 1.00 0.00 C ATOM 0 H ALA A 29 -6.512 8.786 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.923 6.471 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.869 7.980 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.833 8.443 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.765 9.368 -5.927 1.00 0.00 H new ATOM 424 N GLY A 30 -8.172 6.051 -7.955 1.00 0.00 N ATOM 425 CA GLY A 30 -8.300 5.779 -9.374 1.00 0.00 C ATOM 426 C GLY A 30 -7.086 5.069 -9.941 1.00 0.00 C ATOM 427 O GLY A 30 -7.160 4.453 -11.003 1.00 0.00 O ATOM 0 H GLY A 30 -8.294 5.239 -7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.187 5.169 -9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.451 6.717 -9.908 1.00 0.00 H new ATOM 431 N GLU A 31 -5.966 5.157 -9.230 1.00 0.00 N ATOM 432 CA GLU A 31 -4.731 4.519 -9.671 1.00 0.00 C ATOM 433 C GLU A 31 -4.826 3.002 -9.543 1.00 0.00 C ATOM 434 O GLU A 31 -5.607 2.482 -8.745 1.00 0.00 O ATOM 435 CB GLU A 31 -3.545 5.037 -8.855 1.00 0.00 C ATOM 436 CG GLU A 31 -2.235 5.049 -9.625 1.00 0.00 C ATOM 437 CD GLU A 31 -2.312 5.874 -10.895 1.00 0.00 C ATOM 438 OE1 GLU A 31 -3.217 6.729 -10.992 1.00 0.00 O ATOM 439 OE2 GLU A 31 -1.468 5.665 -11.791 1.00 0.00 O ATOM 0 H GLU A 31 -5.889 5.663 -8.348 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.578 4.768 -10.721 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.765 6.048 -8.512 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.428 4.417 -7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.446 5.445 -8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.957 4.026 -9.877 1.00 0.00 H new ATOM 446 N VAL A 32 -4.026 2.296 -10.336 1.00 0.00 N ATOM 447 CA VAL A 32 -4.019 0.838 -10.312 1.00 0.00 C ATOM 448 C VAL A 32 -2.688 0.303 -9.794 1.00 0.00 C ATOM 449 O VAL A 32 -1.641 0.919 -9.990 1.00 0.00 O ATOM 450 CB VAL A 32 -4.285 0.252 -11.711 1.00 0.00 C ATOM 451 CG1 VAL A 32 -4.445 -1.258 -11.637 1.00 0.00 C ATOM 452 CG2 VAL A 32 -5.514 0.897 -12.333 1.00 0.00 C ATOM 0 H VAL A 32 -3.375 2.710 -11.003 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.819 0.529 -9.639 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.427 0.471 -12.346 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.632 -1.653 -12.635 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.533 -1.701 -11.236 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.284 -1.503 -10.986 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.687 0.471 -13.321 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.382 0.711 -11.700 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.355 1.971 -12.424 1.00 0.00 H new ATOM 462 N VAL A 33 -2.737 -0.848 -9.131 1.00 0.00 N ATOM 463 CA VAL A 33 -1.535 -1.467 -8.586 1.00 0.00 C ATOM 464 C VAL A 33 -1.605 -2.987 -8.688 1.00 0.00 C ATOM 465 O VAL A 33 -2.657 -3.551 -8.989 1.00 0.00 O ATOM 466 CB VAL A 33 -1.319 -1.073 -7.113 1.00 0.00 C ATOM 467 CG1 VAL A 33 -1.270 0.441 -6.967 1.00 0.00 C ATOM 468 CG2 VAL A 33 -2.413 -1.666 -6.237 1.00 0.00 C ATOM 0 H VAL A 33 -3.596 -1.370 -8.958 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.696 -1.104 -9.179 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.362 -1.477 -6.783 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.117 0.701 -5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.448 0.838 -7.563 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.210 0.871 -7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.245 -1.378 -5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.383 -1.293 -6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.396 -2.753 -6.319 1.00 0.00 H new ATOM 478 N ASP A 34 -0.478 -3.644 -8.436 1.00 0.00 N ATOM 479 CA ASP A 34 -0.411 -5.099 -8.498 1.00 0.00 C ATOM 480 C ASP A 34 -0.101 -5.688 -7.126 1.00 0.00 C ATOM 481 O ASP A 34 1.013 -5.553 -6.618 1.00 0.00 O ATOM 482 CB ASP A 34 0.650 -5.539 -9.508 1.00 0.00 C ATOM 483 CG ASP A 34 0.203 -5.338 -10.943 1.00 0.00 C ATOM 484 OD1 ASP A 34 0.177 -4.175 -11.397 1.00 0.00 O ATOM 485 OD2 ASP A 34 -0.120 -6.342 -11.611 1.00 0.00 O ATOM 0 H ASP A 34 0.402 -3.192 -8.187 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.384 -5.470 -8.820 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.568 -4.977 -9.334 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.885 -6.591 -9.348 1.00 0.00 H new ATOM 490 N VAL A 35 -1.093 -6.341 -6.529 1.00 0.00 N ATOM 491 CA VAL A 35 -0.926 -6.951 -5.215 1.00 0.00 C ATOM 492 C VAL A 35 0.047 -8.122 -5.273 1.00 0.00 C ATOM 493 O VAL A 35 -0.305 -9.213 -5.723 1.00 0.00 O ATOM 494 CB VAL A 35 -2.272 -7.442 -4.650 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.079 -8.059 -3.273 1.00 0.00 C ATOM 496 CG2 VAL A 35 -3.276 -6.301 -4.597 1.00 0.00 C ATOM 0 H VAL A 35 -2.021 -6.461 -6.935 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.523 -6.181 -4.557 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.667 -8.211 -5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.040 -8.400 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.396 -8.905 -3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.662 -7.314 -2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.221 -6.666 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.892 -5.508 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.436 -5.910 -5.602 1.00 0.00 H new ATOM 506 N ILE A 36 1.272 -7.890 -4.813 1.00 0.00 N ATOM 507 CA ILE A 36 2.296 -8.927 -4.811 1.00 0.00 C ATOM 508 C ILE A 36 2.058 -9.932 -3.689 1.00 0.00 C ATOM 509 O ILE A 36 1.721 -11.089 -3.941 1.00 0.00 O ATOM 510 CB ILE A 36 3.706 -8.326 -4.656 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.979 -7.316 -5.772 1.00 0.00 C ATOM 512 CG2 ILE A 36 4.755 -9.428 -4.664 1.00 0.00 C ATOM 513 CD1 ILE A 36 5.184 -6.440 -5.512 1.00 0.00 C ATOM 0 H ILE A 36 1.579 -6.993 -4.437 1.00 0.00 H new ATOM 0 HA ILE A 36 2.231 -9.437 -5.772 1.00 0.00 H new ATOM 0 HB ILE A 36 3.760 -7.806 -3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.126 -7.853 -6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.101 -6.683 -5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.746 -8.988 -4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.569 -10.114 -3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.703 -9.973 -5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.317 -5.749 -6.344 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.032 -5.876 -4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.072 -7.064 -5.412 1.00 0.00 H new ATOM 525 N GLU A 37 2.235 -9.482 -2.451 1.00 0.00 N ATOM 526 CA GLU A 37 2.038 -10.343 -1.291 1.00 0.00 C ATOM 527 C GLU A 37 0.933 -9.798 -0.390 1.00 0.00 C ATOM 528 O GLU A 37 0.781 -8.585 -0.239 1.00 0.00 O ATOM 529 CB GLU A 37 3.340 -10.473 -0.497 1.00 0.00 C ATOM 530 CG GLU A 37 3.601 -11.878 0.018 1.00 0.00 C ATOM 531 CD GLU A 37 2.844 -12.180 1.297 1.00 0.00 C ATOM 532 OE1 GLU A 37 2.670 -11.254 2.116 1.00 0.00 O ATOM 533 OE2 GLU A 37 2.426 -13.343 1.478 1.00 0.00 O ATOM 0 H GLU A 37 2.514 -8.527 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 37 1.739 -11.328 -1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.173 -10.166 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.311 -9.785 0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.317 -12.600 -0.747 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.669 -12.004 0.194 1.00 0.00 H new ATOM 540 N LYS A 38 0.163 -10.702 0.205 1.00 0.00 N ATOM 541 CA LYS A 38 -0.928 -10.315 1.092 1.00 0.00 C ATOM 542 C LYS A 38 -0.656 -10.772 2.521 1.00 0.00 C ATOM 543 O LYS A 38 -0.549 -11.968 2.790 1.00 0.00 O ATOM 544 CB LYS A 38 -2.249 -10.909 0.598 1.00 0.00 C ATOM 545 CG LYS A 38 -2.808 -10.210 -0.630 1.00 0.00 C ATOM 546 CD LYS A 38 -4.275 -10.545 -0.841 1.00 0.00 C ATOM 547 CE LYS A 38 -4.650 -10.502 -2.315 1.00 0.00 C ATOM 548 NZ LYS A 38 -4.288 -11.765 -3.016 1.00 0.00 N ATOM 0 H LYS A 38 0.274 -11.709 0.089 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.000 -9.227 1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.100 -11.964 0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.984 -10.858 1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.692 -9.132 -0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.236 -10.505 -1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.484 -11.537 -0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.894 -9.840 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.721 -10.327 -2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.145 -9.663 -2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.559 -11.696 -4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.262 -11.920 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.789 -12.563 -2.575 1.00 0.00 H new ATOM 562 N ASN A 39 -0.547 -9.812 3.434 1.00 0.00 N ATOM 563 CA ASN A 39 -0.288 -10.117 4.837 1.00 0.00 C ATOM 564 C ASN A 39 -1.576 -10.509 5.554 1.00 0.00 C ATOM 565 O ASN A 39 -2.662 -10.444 4.980 1.00 0.00 O ATOM 566 CB ASN A 39 0.350 -8.914 5.532 1.00 0.00 C ATOM 567 CG ASN A 39 1.252 -9.321 6.681 1.00 0.00 C ATOM 568 OD1 ASN A 39 1.414 -10.508 6.967 1.00 0.00 O ATOM 569 ND2 ASN A 39 1.846 -8.337 7.346 1.00 0.00 N ATOM 0 H ASN A 39 -0.634 -8.817 3.228 1.00 0.00 H new ATOM 0 HA ASN A 39 0.402 -10.960 4.879 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.927 -8.342 4.805 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.434 -8.255 5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.465 -8.551 8.128 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.683 -7.367 7.075 1.00 0.00 H new ATOM 576 N GLU A 40 -1.446 -10.916 6.813 1.00 0.00 N ATOM 577 CA GLU A 40 -2.599 -11.319 7.609 1.00 0.00 C ATOM 578 C GLU A 40 -3.122 -10.150 8.439 1.00 0.00 C ATOM 579 O GLU A 40 -4.301 -10.103 8.791 1.00 0.00 O ATOM 580 CB GLU A 40 -2.232 -12.487 8.526 1.00 0.00 C ATOM 581 CG GLU A 40 -2.228 -13.834 7.824 1.00 0.00 C ATOM 582 CD GLU A 40 -3.603 -14.238 7.329 1.00 0.00 C ATOM 583 OE1 GLU A 40 -4.391 -14.775 8.136 1.00 0.00 O ATOM 584 OE2 GLU A 40 -3.892 -14.017 6.134 1.00 0.00 O ATOM 0 H GLU A 40 -0.554 -10.975 7.303 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.386 -11.638 6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.246 -12.306 8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.937 -12.522 9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.538 -13.798 6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.854 -14.595 8.509 1.00 0.00 H new ATOM 591 N SER A 41 -2.236 -9.209 8.750 1.00 0.00 N ATOM 592 CA SER A 41 -2.605 -8.043 9.543 1.00 0.00 C ATOM 593 C SER A 41 -3.633 -7.189 8.807 1.00 0.00 C ATOM 594 O SER A 41 -4.460 -6.521 9.426 1.00 0.00 O ATOM 595 CB SER A 41 -1.366 -7.205 9.865 1.00 0.00 C ATOM 596 OG SER A 41 -0.443 -7.941 10.650 1.00 0.00 O ATOM 0 H SER A 41 -1.257 -9.232 8.464 1.00 0.00 H new ATOM 0 HA SER A 41 -3.049 -8.394 10.474 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.888 -6.886 8.939 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.662 -6.302 10.398 1.00 0.00 H new ATOM 0 HG SER A 41 0.341 -7.385 10.841 1.00 0.00 H new ATOM 602 N GLY A 42 -3.574 -7.216 7.478 1.00 0.00 N ATOM 603 CA GLY A 42 -4.504 -6.441 6.678 1.00 0.00 C ATOM 604 C GLY A 42 -3.804 -5.595 5.633 1.00 0.00 C ATOM 605 O GLY A 42 -4.425 -5.148 4.669 1.00 0.00 O ATOM 0 H GLY A 42 -2.899 -7.761 6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.204 -7.115 6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.090 -5.795 7.332 1.00 0.00 H new ATOM 609 N TRP A 43 -2.508 -5.374 5.824 1.00 0.00 N ATOM 610 CA TRP A 43 -1.724 -4.575 4.890 1.00 0.00 C ATOM 611 C TRP A 43 -1.090 -5.455 3.818 1.00 0.00 C ATOM 612 O TRP A 43 -0.386 -6.416 4.129 1.00 0.00 O ATOM 613 CB TRP A 43 -0.638 -3.798 5.637 1.00 0.00 C ATOM 614 CG TRP A 43 -1.186 -2.751 6.560 1.00 0.00 C ATOM 615 CD1 TRP A 43 -2.032 -2.949 7.613 1.00 0.00 C ATOM 616 CD2 TRP A 43 -0.925 -1.344 6.509 1.00 0.00 C ATOM 617 NE1 TRP A 43 -2.314 -1.749 8.221 1.00 0.00 N ATOM 618 CE2 TRP A 43 -1.646 -0.749 7.563 1.00 0.00 C ATOM 619 CE3 TRP A 43 -0.152 -0.529 5.678 1.00 0.00 C ATOM 620 CZ2 TRP A 43 -1.616 0.621 7.804 1.00 0.00 C ATOM 621 CZ3 TRP A 43 -0.123 0.831 5.919 1.00 0.00 C ATOM 622 CH2 TRP A 43 -0.851 1.395 6.975 1.00 0.00 C ATOM 0 H TRP A 43 -1.979 -5.737 6.617 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.396 -3.869 4.403 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.031 -4.497 6.212 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.023 -3.323 4.912 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -2.422 -3.907 7.923 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.922 -1.623 9.030 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.413 -0.955 4.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -2.177 1.058 8.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.471 1.470 5.283 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.807 2.462 7.138 1.00 0.00 H new ATOM 633 N TRP A 44 -1.344 -5.121 2.558 1.00 0.00 N ATOM 634 CA TRP A 44 -0.797 -5.883 1.441 1.00 0.00 C ATOM 635 C TRP A 44 0.339 -5.121 0.767 1.00 0.00 C ATOM 636 O TRP A 44 0.462 -3.906 0.922 1.00 0.00 O ATOM 637 CB TRP A 44 -1.895 -6.192 0.422 1.00 0.00 C ATOM 638 CG TRP A 44 -3.063 -6.923 1.012 1.00 0.00 C ATOM 639 CD1 TRP A 44 -3.077 -7.650 2.168 1.00 0.00 C ATOM 640 CD2 TRP A 44 -4.387 -6.998 0.472 1.00 0.00 C ATOM 641 NE1 TRP A 44 -4.330 -8.173 2.379 1.00 0.00 N ATOM 642 CE2 TRP A 44 -5.152 -7.787 1.354 1.00 0.00 C ATOM 643 CE3 TRP A 44 -5.002 -6.475 -0.668 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -6.498 -8.064 1.128 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -6.338 -6.751 -0.891 1.00 0.00 C ATOM 646 CH2 TRP A 44 -7.074 -7.539 0.003 1.00 0.00 C ATOM 0 H TRP A 44 -1.925 -4.328 2.284 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.400 -6.820 1.832 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.245 -5.259 -0.019 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.473 -6.788 -0.387 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.228 -7.793 2.820 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.604 -8.755 3.171 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.443 -5.866 -1.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.067 -8.672 1.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.823 -6.352 -1.770 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.116 -7.736 -0.199 1.00 0.00 H new ATOM 657 N PHE A 45 1.167 -5.842 0.019 1.00 0.00 N ATOM 658 CA PHE A 45 2.294 -5.233 -0.679 1.00 0.00 C ATOM 659 C PHE A 45 2.020 -5.138 -2.177 1.00 0.00 C ATOM 660 O PHE A 45 2.181 -6.113 -2.912 1.00 0.00 O ATOM 661 CB PHE A 45 3.570 -6.040 -0.432 1.00 0.00 C ATOM 662 CG PHE A 45 4.808 -5.384 -0.973 1.00 0.00 C ATOM 663 CD1 PHE A 45 5.124 -4.079 -0.628 1.00 0.00 C ATOM 664 CD2 PHE A 45 5.656 -6.071 -1.826 1.00 0.00 C ATOM 665 CE1 PHE A 45 6.263 -3.472 -1.123 1.00 0.00 C ATOM 666 CE2 PHE A 45 6.797 -5.470 -2.324 1.00 0.00 C ATOM 667 CZ PHE A 45 7.100 -4.168 -1.973 1.00 0.00 C ATOM 0 H PHE A 45 1.079 -6.849 -0.120 1.00 0.00 H new ATOM 0 HA PHE A 45 2.429 -4.224 -0.288 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.690 -6.196 0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.462 -7.024 -0.887 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.472 -3.530 0.036 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.423 -7.088 -2.105 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.498 -2.455 -0.845 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.451 -6.017 -2.987 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.990 -3.696 -2.363 1.00 0.00 H new ATOM 677 N VAL A 46 1.603 -3.957 -2.623 1.00 0.00 N ATOM 678 CA VAL A 46 1.306 -3.734 -4.033 1.00 0.00 C ATOM 679 C VAL A 46 2.491 -3.097 -4.749 1.00 0.00 C ATOM 680 O VAL A 46 3.306 -2.409 -4.133 1.00 0.00 O ATOM 681 CB VAL A 46 0.069 -2.834 -4.210 1.00 0.00 C ATOM 682 CG1 VAL A 46 -1.143 -3.452 -3.529 1.00 0.00 C ATOM 683 CG2 VAL A 46 0.342 -1.440 -3.668 1.00 0.00 C ATOM 0 H VAL A 46 1.463 -3.140 -2.028 1.00 0.00 H new ATOM 0 HA VAL A 46 1.101 -4.710 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.147 -2.749 -5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.007 -2.802 -3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.350 -4.427 -3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.941 -3.570 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.543 -0.818 -3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.584 -1.503 -2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.181 -0.998 -4.206 1.00 0.00 H new ATOM 693 N SER A 47 2.582 -3.330 -6.055 1.00 0.00 N ATOM 694 CA SER A 47 3.670 -2.781 -6.856 1.00 0.00 C ATOM 695 C SER A 47 3.127 -1.921 -7.993 1.00 0.00 C ATOM 696 O SER A 47 2.161 -2.292 -8.662 1.00 0.00 O ATOM 697 CB SER A 47 4.534 -3.910 -7.422 1.00 0.00 C ATOM 698 OG SER A 47 5.087 -3.548 -8.676 1.00 0.00 O ATOM 0 H SER A 47 1.915 -3.895 -6.581 1.00 0.00 H new ATOM 0 HA SER A 47 4.283 -2.153 -6.210 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.335 -4.145 -6.722 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.932 -4.812 -7.533 1.00 0.00 H new ATOM 0 HG SER A 47 5.636 -4.285 -9.016 1.00 0.00 H new ATOM 704 N THR A 48 3.754 -0.769 -8.207 1.00 0.00 N ATOM 705 CA THR A 48 3.335 0.145 -9.262 1.00 0.00 C ATOM 706 C THR A 48 4.489 0.461 -10.207 1.00 0.00 C ATOM 707 O THR A 48 5.643 0.146 -9.919 1.00 0.00 O ATOM 708 CB THR A 48 2.789 1.462 -8.679 1.00 0.00 C ATOM 709 OG1 THR A 48 3.866 2.255 -8.167 1.00 0.00 O ATOM 710 CG2 THR A 48 1.783 1.188 -7.572 1.00 0.00 C ATOM 0 H THR A 48 4.554 -0.447 -7.663 1.00 0.00 H new ATOM 0 HA THR A 48 2.542 -0.355 -9.817 1.00 0.00 H new ATOM 0 HB THR A 48 2.286 2.006 -9.478 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.441 1.699 -7.601 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.411 2.133 -7.176 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.950 0.610 -7.972 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.265 0.624 -6.773 1.00 0.00 H new ATOM 718 N SER A 49 4.169 1.085 -11.336 1.00 0.00 N ATOM 719 CA SER A 49 5.179 1.440 -12.326 1.00 0.00 C ATOM 720 C SER A 49 6.285 2.281 -11.695 1.00 0.00 C ATOM 721 O SER A 49 7.422 2.285 -12.166 1.00 0.00 O ATOM 722 CB SER A 49 4.540 2.205 -13.486 1.00 0.00 C ATOM 723 OG SER A 49 3.799 3.318 -13.017 1.00 0.00 O ATOM 0 H SER A 49 3.218 1.355 -11.588 1.00 0.00 H new ATOM 0 HA SER A 49 5.619 0.518 -12.707 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.315 2.544 -14.173 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.885 1.539 -14.048 1.00 0.00 H new ATOM 0 HG SER A 49 3.402 3.791 -13.778 1.00 0.00 H new ATOM 729 N GLU A 50 5.941 2.994 -10.626 1.00 0.00 N ATOM 730 CA GLU A 50 6.904 3.840 -9.931 1.00 0.00 C ATOM 731 C GLU A 50 7.753 3.018 -8.966 1.00 0.00 C ATOM 732 O GLU A 50 8.953 2.840 -9.175 1.00 0.00 O ATOM 733 CB GLU A 50 6.182 4.955 -9.172 1.00 0.00 C ATOM 734 CG GLU A 50 5.797 6.136 -10.045 1.00 0.00 C ATOM 735 CD GLU A 50 7.003 6.894 -10.566 1.00 0.00 C ATOM 736 OE1 GLU A 50 7.500 7.786 -9.846 1.00 0.00 O ATOM 737 OE2 GLU A 50 7.450 6.595 -11.693 1.00 0.00 O ATOM 0 H GLU A 50 5.004 3.002 -10.223 1.00 0.00 H new ATOM 0 HA GLU A 50 7.562 4.286 -10.676 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.283 4.546 -8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.823 5.306 -8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.203 5.782 -10.888 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.165 6.815 -9.473 1.00 0.00 H new ATOM 744 N GLU A 51 7.121 2.521 -7.907 1.00 0.00 N ATOM 745 CA GLU A 51 7.819 1.720 -6.908 1.00 0.00 C ATOM 746 C GLU A 51 6.857 0.761 -6.211 1.00 0.00 C ATOM 747 O GLU A 51 5.679 0.687 -6.559 1.00 0.00 O ATOM 748 CB GLU A 51 8.492 2.626 -5.875 1.00 0.00 C ATOM 749 CG GLU A 51 9.679 3.399 -6.424 1.00 0.00 C ATOM 750 CD GLU A 51 10.698 3.739 -5.355 1.00 0.00 C ATOM 751 OE1 GLU A 51 10.407 4.615 -4.514 1.00 0.00 O ATOM 752 OE2 GLU A 51 11.788 3.128 -5.359 1.00 0.00 O ATOM 0 H GLU A 51 6.128 2.659 -7.719 1.00 0.00 H new ATOM 0 HA GLU A 51 8.583 1.134 -7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.756 3.332 -5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.823 2.019 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.160 2.811 -7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.325 4.319 -6.889 1.00 0.00 H new ATOM 759 N GLN A 52 7.370 0.029 -5.228 1.00 0.00 N ATOM 760 CA GLN A 52 6.558 -0.926 -4.483 1.00 0.00 C ATOM 761 C GLN A 52 6.514 -0.565 -3.002 1.00 0.00 C ATOM 762 O GLN A 52 7.546 -0.295 -2.388 1.00 0.00 O ATOM 763 CB GLN A 52 7.108 -2.342 -4.660 1.00 0.00 C ATOM 764 CG GLN A 52 7.460 -2.683 -6.099 1.00 0.00 C ATOM 765 CD GLN A 52 7.854 -4.136 -6.274 1.00 0.00 C ATOM 766 OE1 GLN A 52 7.751 -4.936 -5.344 1.00 0.00 O ATOM 767 NE2 GLN A 52 8.307 -4.486 -7.472 1.00 0.00 N ATOM 0 H GLN A 52 8.344 0.079 -4.929 1.00 0.00 H new ATOM 0 HA GLN A 52 5.543 -0.887 -4.877 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.997 -2.457 -4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.371 -3.057 -4.296 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.607 -2.462 -6.740 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.280 -2.046 -6.429 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.376 -3.790 -8.214 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.586 -5.451 -7.650 1.00 0.00 H new ATOM 776 N GLY A 53 5.313 -0.562 -2.433 1.00 0.00 N ATOM 777 CA GLY A 53 5.157 -0.233 -1.028 1.00 0.00 C ATOM 778 C GLY A 53 4.081 -1.060 -0.354 1.00 0.00 C ATOM 779 O GLY A 53 3.351 -1.798 -1.016 1.00 0.00 O ATOM 0 H GLY A 53 4.444 -0.782 -2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.106 -0.389 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.912 0.825 -0.931 1.00 0.00 H new ATOM 783 N TRP A 54 3.983 -0.939 0.965 1.00 0.00 N ATOM 784 CA TRP A 54 2.989 -1.684 1.729 1.00 0.00 C ATOM 785 C TRP A 54 1.803 -0.796 2.090 1.00 0.00 C ATOM 786 O TRP A 54 1.924 0.114 2.909 1.00 0.00 O ATOM 787 CB TRP A 54 3.618 -2.258 2.999 1.00 0.00 C ATOM 788 CG TRP A 54 4.596 -3.362 2.732 1.00 0.00 C ATOM 789 CD1 TRP A 54 5.905 -3.227 2.367 1.00 0.00 C ATOM 790 CD2 TRP A 54 4.341 -4.769 2.806 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.479 -4.465 2.210 1.00 0.00 N ATOM 792 CE2 TRP A 54 5.541 -5.428 2.475 1.00 0.00 C ATOM 793 CE3 TRP A 54 3.217 -5.537 3.123 1.00 0.00 C ATOM 794 CZ2 TRP A 54 5.646 -6.816 2.450 1.00 0.00 C ATOM 795 CZ3 TRP A 54 3.323 -6.914 3.098 1.00 0.00 C ATOM 796 CH2 TRP A 54 4.530 -7.542 2.765 1.00 0.00 C ATOM 0 H TRP A 54 4.580 -0.332 1.528 1.00 0.00 H new ATOM 0 HA TRP A 54 2.629 -2.504 1.108 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.124 -1.457 3.539 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.828 -2.632 3.650 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.414 -2.285 2.223 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.447 -4.639 1.940 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.282 -5.062 3.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.575 -7.302 2.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.460 -7.517 3.339 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.581 -8.621 2.757 1.00 0.00 H new ATOM 807 N VAL A 55 0.657 -1.067 1.474 1.00 0.00 N ATOM 808 CA VAL A 55 -0.551 -0.294 1.732 1.00 0.00 C ATOM 809 C VAL A 55 -1.646 -1.168 2.333 1.00 0.00 C ATOM 810 O VAL A 55 -1.666 -2.387 2.161 1.00 0.00 O ATOM 811 CB VAL A 55 -1.083 0.363 0.444 1.00 0.00 C ATOM 812 CG1 VAL A 55 -0.256 1.589 0.088 1.00 0.00 C ATOM 813 CG2 VAL A 55 -1.087 -0.639 -0.701 1.00 0.00 C ATOM 0 H VAL A 55 0.540 -1.817 0.792 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.281 0.486 2.444 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.109 0.686 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.647 2.039 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.309 2.313 0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.782 1.295 -0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.466 -0.159 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.072 -0.994 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.727 -1.483 -0.444 1.00 0.00 H new ATOM 823 N PRO A 56 -2.580 -0.533 3.056 1.00 0.00 N ATOM 824 CA PRO A 56 -3.697 -1.234 3.697 1.00 0.00 C ATOM 825 C PRO A 56 -4.704 -1.769 2.684 1.00 0.00 C ATOM 826 O PRO A 56 -5.116 -1.056 1.770 1.00 0.00 O ATOM 827 CB PRO A 56 -4.339 -0.153 4.570 1.00 0.00 C ATOM 828 CG PRO A 56 -3.978 1.132 3.909 1.00 0.00 C ATOM 829 CD PRO A 56 -2.619 0.918 3.302 1.00 0.00 C ATOM 0 HA PRO A 56 -3.363 -2.109 4.254 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.420 -0.279 4.625 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.961 -0.193 5.591 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.709 1.397 3.145 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.959 1.950 4.630 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.497 1.485 2.379 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.823 1.233 3.977 1.00 0.00 H new ATOM 837 N ALA A 57 -5.095 -3.027 2.854 1.00 0.00 N ATOM 838 CA ALA A 57 -6.056 -3.656 1.956 1.00 0.00 C ATOM 839 C ALA A 57 -7.308 -2.800 1.805 1.00 0.00 C ATOM 840 O ALA A 57 -7.937 -2.782 0.746 1.00 0.00 O ATOM 841 CB ALA A 57 -6.421 -5.044 2.463 1.00 0.00 C ATOM 0 H ALA A 57 -4.761 -3.631 3.605 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.592 -3.750 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.139 -5.502 1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.524 -5.661 2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.862 -4.964 3.457 1.00 0.00 H new ATOM 847 N THR A 58 -7.667 -2.091 2.871 1.00 0.00 N ATOM 848 CA THR A 58 -8.846 -1.234 2.857 1.00 0.00 C ATOM 849 C THR A 58 -8.779 -0.225 1.715 1.00 0.00 C ATOM 850 O THR A 58 -9.808 0.242 1.226 1.00 0.00 O ATOM 851 CB THR A 58 -9.005 -0.476 4.188 1.00 0.00 C ATOM 852 OG1 THR A 58 -7.764 0.140 4.553 1.00 0.00 O ATOM 853 CG2 THR A 58 -9.455 -1.416 5.296 1.00 0.00 C ATOM 0 H THR A 58 -7.158 -2.094 3.755 1.00 0.00 H new ATOM 0 HA THR A 58 -9.708 -1.885 2.713 1.00 0.00 H new ATOM 0 HB THR A 58 -9.766 0.293 4.054 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.874 0.621 5.400 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.560 -0.858 6.226 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.414 -1.861 5.029 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.714 -2.204 5.428 1.00 0.00 H new ATOM 861 N TYR A 59 -7.563 0.105 1.295 1.00 0.00 N ATOM 862 CA TYR A 59 -7.362 1.060 0.212 1.00 0.00 C ATOM 863 C TYR A 59 -7.179 0.341 -1.121 1.00 0.00 C ATOM 864 O TYR A 59 -6.539 0.860 -2.037 1.00 0.00 O ATOM 865 CB TYR A 59 -6.146 1.942 0.500 1.00 0.00 C ATOM 866 CG TYR A 59 -6.440 3.092 1.437 1.00 0.00 C ATOM 867 CD1 TYR A 59 -6.792 2.862 2.762 1.00 0.00 C ATOM 868 CD2 TYR A 59 -6.368 4.408 0.998 1.00 0.00 C ATOM 869 CE1 TYR A 59 -7.062 3.909 3.621 1.00 0.00 C ATOM 870 CE2 TYR A 59 -6.635 5.461 1.851 1.00 0.00 C ATOM 871 CZ TYR A 59 -6.982 5.207 3.161 1.00 0.00 C ATOM 872 OH TYR A 59 -7.250 6.254 4.013 1.00 0.00 O ATOM 0 H TYR A 59 -6.702 -0.275 1.688 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.250 1.688 0.146 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.355 1.327 0.930 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.765 2.339 -0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.855 1.847 3.126 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.099 4.611 -0.028 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.334 3.713 4.647 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.572 6.478 1.494 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.148 7.102 3.532 1.00 0.00 H new ATOM 882 N LEU A 60 -7.745 -0.856 -1.222 1.00 0.00 N ATOM 883 CA LEU A 60 -7.646 -1.648 -2.443 1.00 0.00 C ATOM 884 C LEU A 60 -8.962 -2.360 -2.739 1.00 0.00 C ATOM 885 O LEU A 60 -9.580 -2.937 -1.846 1.00 0.00 O ATOM 886 CB LEU A 60 -6.516 -2.672 -2.320 1.00 0.00 C ATOM 887 CG LEU A 60 -5.146 -2.116 -1.929 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.145 -3.246 -1.742 1.00 0.00 C ATOM 889 CD2 LEU A 60 -4.651 -1.130 -2.977 1.00 0.00 C ATOM 0 H LEU A 60 -8.277 -1.300 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.427 -0.971 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.808 -3.418 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.417 -3.190 -3.274 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.247 -1.587 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.176 -2.831 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.493 -3.914 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.047 -3.803 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.675 -0.745 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.566 -1.634 -3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.357 -0.304 -3.061 1.00 0.00 H new ATOM 901 N GLU A 61 -9.382 -2.316 -4.000 1.00 0.00 N ATOM 902 CA GLU A 61 -10.625 -2.958 -4.413 1.00 0.00 C ATOM 903 C GLU A 61 -10.382 -3.911 -5.579 1.00 0.00 C ATOM 904 O GLU A 61 -9.556 -3.645 -6.451 1.00 0.00 O ATOM 905 CB GLU A 61 -11.662 -1.905 -4.808 1.00 0.00 C ATOM 906 CG GLU A 61 -13.098 -2.365 -4.620 1.00 0.00 C ATOM 907 CD GLU A 61 -14.052 -1.213 -4.368 1.00 0.00 C ATOM 908 OE1 GLU A 61 -14.056 -0.685 -3.237 1.00 0.00 O ATOM 909 OE2 GLU A 61 -14.793 -0.841 -5.302 1.00 0.00 O ATOM 0 H GLU A 61 -8.881 -1.843 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.006 -3.533 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.497 -1.005 -4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.511 -1.632 -5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.420 -2.911 -5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.146 -3.061 -3.783 1.00 0.00 H new ATOM 916 N ALA A 62 -11.109 -5.024 -5.587 1.00 0.00 N ATOM 917 CA ALA A 62 -10.975 -6.017 -6.645 1.00 0.00 C ATOM 918 C ALA A 62 -11.778 -5.617 -7.878 1.00 0.00 C ATOM 919 O ALA A 62 -12.991 -5.819 -7.932 1.00 0.00 O ATOM 920 CB ALA A 62 -11.417 -7.384 -6.146 1.00 0.00 C ATOM 0 H ALA A 62 -11.797 -5.260 -4.872 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.924 -6.069 -6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.311 -8.115 -6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.797 -7.680 -5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.460 -7.337 -5.833 1.00 0.00 H new