USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 518 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 18 THR OG1 : rot -140:sc= -1.59 USER MOD Set 1.2: A 21 MET CE :methyl -170:sc= -4.4! (180deg=-5.08!) USER MOD Set 2.1: A 14 ASN : amide:sc= -0.652 K(o=-0.81,f=-4.9) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -102:sc= -0.158 (180deg=0) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ASN : amide:sc= -0.55 X(o=-0.55,f=-0.98) USER MOD Single : A 2 GLN : amide:sc= -0.685 K(o=-0.69,f=-0.094) USER MOD Single : A 4 SER OG : rot 110:sc= -0.0261 USER MOD Single : A 15 THR OG1 : rot 72:sc= -0.323 USER MOD Single : A 22 MET CE :methyl -166:sc= -4.16! (180deg=-5.16!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 120:sc= 1.2 USER MOD Single : A 28 SER OG : rot 180:sc= -0.438 USER MOD Single : A 30 THR OG1 : rot 43:sc= 0.279 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -138:sc= -7.65! (180deg=-16.5!) USER MOD Single : A 44 GLN : amide:sc= 0.113 X(o=0.11,f=0) USER MOD Single : A 46 ASN : amide:sc= -4.08! C(o=-4.1!,f=-8.1!) USER MOD Single : A 47 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.24) USER MOD Single : A 51 MET CE :methyl 151:sc= -0.268 (180deg=-1.68!) USER MOD Single : A 53 THR OG1 : rot 89:sc= -1 USER MOD Single : A 54 THR OG1 : rot 160:sc= -4.17! USER MOD Single : A 56 MET CE :methyl 166:sc= -3.6 (180deg=-4.24) USER MOD Single : A 59 MET CE :methyl 172:sc= -4.38! (180deg=-4.78!) USER MOD Single : A 63 TYR OH : rot 144:sc= -0.514 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 1.922 -1.394 0.066 1.00 45.14 N ATOM 2 CA MET A 0 2.009 -0.625 -1.164 1.00 52.03 C ATOM 3 C MET A 0 1.157 -1.257 -2.267 1.00 61.11 C ATOM 4 O MET A 0 1.650 -2.070 -3.048 1.00 12.21 O ATOM 5 CB MET A 0 3.467 -0.556 -1.622 1.00 1.51 C ATOM 6 CG MET A 0 3.725 0.711 -2.440 1.00 42.32 C ATOM 7 SD MET A 0 3.506 2.156 -1.415 1.00 31.32 S ATOM 8 CE MET A 0 4.954 3.089 -1.880 1.00 43.24 C ATOM 0 H1 MET A 0 2.508 -0.945 0.798 1.00 45.14 H new ATOM 0 H2 MET A 0 0.933 -1.426 0.386 1.00 45.14 H new ATOM 0 H3 MET A 0 2.262 -2.362 -0.105 1.00 45.14 H new ATOM 0 HA MET A 0 1.632 0.379 -0.970 1.00 52.03 H new ATOM 0 HB2 MET A 0 4.126 -0.573 -0.754 1.00 1.51 H new ATOM 0 HB3 MET A 0 3.706 -1.435 -2.221 1.00 1.51 H new ATOM 0 HG2 MET A 0 4.737 0.692 -2.845 1.00 42.32 H new ATOM 0 HG3 MET A 0 3.043 0.751 -3.289 1.00 42.32 H new ATOM 0 HE1 MET A 0 4.974 4.029 -1.328 1.00 43.24 H new ATOM 0 HE2 MET A 0 5.849 2.512 -1.647 1.00 43.24 H new ATOM 0 HE3 MET A 0 4.925 3.297 -2.950 1.00 43.24 H new ATOM 18 N ASN A 1 -0.107 -0.860 -2.296 1.00 5.23 N ATOM 19 CA ASN A 1 -1.031 -1.377 -3.290 1.00 34.32 C ATOM 20 C ASN A 1 -1.808 -0.215 -3.912 1.00 4.10 C ATOM 21 O ASN A 1 -2.882 0.146 -3.433 1.00 5.10 O ATOM 22 CB ASN A 1 -2.042 -2.335 -2.656 1.00 30.20 C ATOM 23 CG ASN A 1 -1.332 -3.475 -1.923 1.00 70.32 C ATOM 24 OD1 ASN A 1 -0.198 -3.821 -2.210 1.00 43.11 O ATOM 25 ND2 ASN A 1 -2.061 -4.038 -0.964 1.00 23.34 N ATOM 0 H ASN A 1 -0.512 -0.186 -1.647 1.00 5.23 H new ATOM 0 HA ASN A 1 -0.451 -1.910 -4.044 1.00 34.32 H new ATOM 0 HB2 ASN A 1 -2.677 -1.789 -1.958 1.00 30.20 H new ATOM 0 HB3 ASN A 1 -2.694 -2.744 -3.428 1.00 30.20 H new ATOM 0 HD21 ASN A 1 -1.677 -4.808 -0.417 1.00 23.34 H new ATOM 0 HD22 ASN A 1 -3.004 -3.699 -0.775 1.00 23.34 H new ATOM 32 N GLN A 2 -1.234 0.339 -4.970 1.00 2.01 N ATOM 33 CA GLN A 2 -1.858 1.453 -5.663 1.00 14.24 C ATOM 34 C GLN A 2 -2.585 0.959 -6.915 1.00 52.41 C ATOM 35 O GLN A 2 -2.022 0.205 -7.707 1.00 51.41 O ATOM 36 CB GLN A 2 -0.827 2.527 -6.015 1.00 13.33 C ATOM 37 CG GLN A 2 0.290 1.950 -6.886 1.00 2.11 C ATOM 38 CD GLN A 2 0.474 2.776 -8.161 1.00 12.24 C ATOM 39 OE1 GLN A 2 1.573 3.149 -8.537 1.00 20.42 O ATOM 40 NE2 GLN A 2 -0.661 3.041 -8.802 1.00 62.41 N ATOM 0 H GLN A 2 -0.343 0.037 -5.364 1.00 2.01 H new ATOM 0 HA GLN A 2 -2.591 1.906 -4.996 1.00 14.24 H new ATOM 0 HB2 GLN A 2 -1.316 3.347 -6.541 1.00 13.33 H new ATOM 0 HB3 GLN A 2 -0.403 2.942 -5.101 1.00 13.33 H new ATOM 0 HG2 GLN A 2 1.223 1.932 -6.322 1.00 2.11 H new ATOM 0 HG3 GLN A 2 0.056 0.918 -7.148 1.00 2.11 H new ATOM 0 HE21 GLN A 2 -1.548 2.698 -8.432 1.00 62.41 H new ATOM 0 HE22 GLN A 2 -0.645 3.587 -9.663 1.00 62.41 H new ATOM 49 N GLU A 3 -3.825 1.405 -7.055 1.00 72.40 N ATOM 50 CA GLU A 3 -4.635 1.017 -8.198 1.00 1.33 C ATOM 51 C GLU A 3 -3.973 1.477 -9.498 1.00 3.51 C ATOM 52 O GLU A 3 -3.578 2.636 -9.621 1.00 62.24 O ATOM 53 CB GLU A 3 -6.054 1.575 -8.078 1.00 55.32 C ATOM 54 CG GLU A 3 -6.981 0.574 -7.385 1.00 23.00 C ATOM 55 CD GLU A 3 -8.387 1.153 -7.218 1.00 72.43 C ATOM 56 OE1 GLU A 3 -9.268 0.891 -8.051 1.00 31.52 O ATOM 57 OE2 GLU A 3 -8.550 1.898 -6.178 1.00 52.55 O ATOM 0 H GLU A 3 -4.288 2.031 -6.396 1.00 72.40 H new ATOM 0 HA GLU A 3 -4.708 -0.070 -8.215 1.00 1.33 H new ATOM 0 HB2 GLU A 3 -6.035 2.508 -7.515 1.00 55.32 H new ATOM 0 HB3 GLU A 3 -6.442 1.809 -9.070 1.00 55.32 H new ATOM 0 HG2 GLU A 3 -7.030 -0.346 -7.968 1.00 23.00 H new ATOM 0 HG3 GLU A 3 -6.574 0.311 -6.409 1.00 23.00 H new ATOM 65 N SER A 4 -3.871 0.546 -10.435 1.00 15.21 N ATOM 66 CA SER A 4 -3.264 0.842 -11.721 1.00 62.23 C ATOM 67 C SER A 4 -4.280 0.620 -12.843 1.00 70.24 C ATOM 68 O SER A 4 -5.099 -0.296 -12.772 1.00 44.53 O ATOM 69 CB SER A 4 -2.020 -0.019 -11.954 1.00 12.54 C ATOM 70 OG SER A 4 -1.371 -0.360 -10.732 1.00 14.14 O ATOM 0 H SER A 4 -4.199 -0.414 -10.329 1.00 15.21 H new ATOM 0 HA SER A 4 -2.955 1.887 -11.721 1.00 62.23 H new ATOM 0 HB2 SER A 4 -2.303 -0.930 -12.481 1.00 12.54 H new ATOM 0 HB3 SER A 4 -1.323 0.518 -12.597 1.00 12.54 H new ATOM 0 HG SER A 4 -1.490 -1.316 -10.554 1.00 14.14 H new ATOM 76 N VAL A 5 -4.194 1.473 -13.853 1.00 51.03 N ATOM 77 CA VAL A 5 -5.096 1.382 -14.989 1.00 61.40 C ATOM 78 C VAL A 5 -5.028 -0.030 -15.576 1.00 52.42 C ATOM 79 O VAL A 5 -3.943 -0.580 -15.756 1.00 2.33 O ATOM 80 CB VAL A 5 -4.763 2.471 -16.011 1.00 20.14 C ATOM 81 CG1 VAL A 5 -5.596 2.303 -17.283 1.00 32.43 C ATOM 82 CG2 VAL A 5 -4.956 3.864 -15.409 1.00 1.31 C ATOM 0 H VAL A 5 -3.513 2.231 -13.909 1.00 51.03 H new ATOM 0 HA VAL A 5 -6.125 1.555 -14.674 1.00 61.40 H new ATOM 0 HB VAL A 5 -3.713 2.366 -16.283 1.00 20.14 H new ATOM 0 HG11 VAL A 5 -5.340 3.090 -17.992 1.00 32.43 H new ATOM 0 HG12 VAL A 5 -5.387 1.330 -17.729 1.00 32.43 H new ATOM 0 HG13 VAL A 5 -6.655 2.369 -17.035 1.00 32.43 H new ATOM 0 HG21 VAL A 5 -4.713 4.620 -16.156 1.00 1.31 H new ATOM 0 HG22 VAL A 5 -5.993 3.984 -15.095 1.00 1.31 H new ATOM 0 HG23 VAL A 5 -4.300 3.982 -14.546 1.00 1.31 H new ATOM 92 N VAL A 6 -6.202 -0.575 -15.859 1.00 61.22 N ATOM 93 CA VAL A 6 -6.290 -1.912 -16.422 1.00 44.24 C ATOM 94 C VAL A 6 -7.345 -1.926 -17.530 1.00 12.42 C ATOM 95 O VAL A 6 -8.510 -1.614 -17.286 1.00 21.20 O ATOM 96 CB VAL A 6 -6.572 -2.929 -15.315 1.00 3.12 C ATOM 97 CG1 VAL A 6 -6.936 -4.293 -15.903 1.00 74.33 C ATOM 98 CG2 VAL A 6 -5.382 -3.044 -14.360 1.00 2.20 C ATOM 0 H VAL A 6 -7.100 -0.115 -15.709 1.00 61.22 H new ATOM 0 HA VAL A 6 -5.340 -2.199 -16.874 1.00 44.24 H new ATOM 0 HB VAL A 6 -7.428 -2.572 -14.743 1.00 3.12 H new ATOM 0 HG11 VAL A 6 -7.132 -4.997 -15.094 1.00 74.33 H new ATOM 0 HG12 VAL A 6 -7.827 -4.196 -16.523 1.00 74.33 H new ATOM 0 HG13 VAL A 6 -6.109 -4.659 -16.511 1.00 74.33 H new ATOM 0 HG21 VAL A 6 -5.609 -3.773 -13.582 1.00 2.20 H new ATOM 0 HG22 VAL A 6 -4.501 -3.366 -14.914 1.00 2.20 H new ATOM 0 HG23 VAL A 6 -5.188 -2.074 -13.902 1.00 2.20 H new ATOM 108 N ALA A 7 -6.900 -2.290 -18.723 1.00 40.13 N ATOM 109 CA ALA A 7 -7.792 -2.348 -19.869 1.00 22.40 C ATOM 110 C ALA A 7 -9.091 -3.048 -19.463 1.00 42.34 C ATOM 111 O ALA A 7 -9.135 -4.273 -19.362 1.00 1.23 O ATOM 112 CB ALA A 7 -7.087 -3.054 -21.029 1.00 72.51 C ATOM 0 H ALA A 7 -5.933 -2.548 -18.921 1.00 40.13 H new ATOM 0 HA ALA A 7 -8.050 -1.344 -20.207 1.00 22.40 H new ATOM 0 HB1 ALA A 7 -7.756 -3.098 -21.889 1.00 72.51 H new ATOM 0 HB2 ALA A 7 -6.186 -2.502 -21.298 1.00 72.51 H new ATOM 0 HB3 ALA A 7 -6.816 -4.066 -20.728 1.00 72.51 H new ATOM 118 N ALA A 8 -10.117 -2.239 -19.243 1.00 2.02 N ATOM 119 CA ALA A 8 -11.413 -2.765 -18.851 1.00 14.24 C ATOM 120 C ALA A 8 -12.013 -3.554 -20.016 1.00 43.24 C ATOM 121 O ALA A 8 -13.016 -4.247 -19.851 1.00 44.42 O ATOM 122 CB ALA A 8 -12.316 -1.614 -18.400 1.00 22.40 C ATOM 0 H ALA A 8 -10.077 -1.223 -19.329 1.00 2.02 H new ATOM 0 HA ALA A 8 -11.310 -3.449 -18.008 1.00 14.24 H new ATOM 0 HB1 ALA A 8 -13.289 -2.008 -18.106 1.00 22.40 H new ATOM 0 HB2 ALA A 8 -11.859 -1.104 -17.552 1.00 22.40 H new ATOM 0 HB3 ALA A 8 -12.444 -0.909 -19.221 1.00 22.40 H new ATOM 128 N VAL A 9 -11.373 -3.422 -21.169 1.00 61.41 N ATOM 129 CA VAL A 9 -11.830 -4.114 -22.362 1.00 73.50 C ATOM 130 C VAL A 9 -10.668 -4.245 -23.348 1.00 24.31 C ATOM 131 O VAL A 9 -9.614 -3.640 -23.155 1.00 32.44 O ATOM 132 CB VAL A 9 -13.039 -3.389 -22.957 1.00 34.45 C ATOM 133 CG1 VAL A 9 -14.230 -3.431 -21.996 1.00 40.25 C ATOM 134 CG2 VAL A 9 -12.686 -1.948 -23.330 1.00 24.43 C ATOM 0 H VAL A 9 -10.542 -2.846 -21.302 1.00 61.41 H new ATOM 0 HA VAL A 9 -12.161 -5.122 -22.114 1.00 73.50 H new ATOM 0 HB VAL A 9 -13.326 -3.910 -23.870 1.00 34.45 H new ATOM 0 HG11 VAL A 9 -15.076 -2.909 -22.442 1.00 40.25 H new ATOM 0 HG12 VAL A 9 -14.505 -4.468 -21.802 1.00 40.25 H new ATOM 0 HG13 VAL A 9 -13.958 -2.946 -21.058 1.00 40.25 H new ATOM 0 HG21 VAL A 9 -13.563 -1.456 -23.750 1.00 24.43 H new ATOM 0 HG22 VAL A 9 -12.361 -1.411 -22.439 1.00 24.43 H new ATOM 0 HG23 VAL A 9 -11.883 -1.949 -24.067 1.00 24.43 H new ATOM 144 N LEU A 10 -10.898 -5.039 -24.383 1.00 71.13 N ATOM 145 CA LEU A 10 -9.883 -5.257 -25.400 1.00 21.02 C ATOM 146 C LEU A 10 -9.609 -3.942 -26.132 1.00 14.54 C ATOM 147 O LEU A 10 -10.300 -3.606 -27.093 1.00 31.35 O ATOM 148 CB LEU A 10 -10.291 -6.403 -26.327 1.00 61.44 C ATOM 149 CG LEU A 10 -9.568 -6.466 -27.674 1.00 62.13 C ATOM 150 CD1 LEU A 10 -8.255 -7.242 -27.556 1.00 5.20 C ATOM 151 CD2 LEU A 10 -10.479 -7.044 -28.759 1.00 41.44 C ATOM 0 H LEU A 10 -11.773 -5.540 -24.540 1.00 71.13 H new ATOM 0 HA LEU A 10 -8.945 -5.568 -24.941 1.00 21.02 H new ATOM 0 HB2 LEU A 10 -10.124 -7.344 -25.803 1.00 61.44 H new ATOM 0 HB3 LEU A 10 -11.362 -6.328 -26.515 1.00 61.44 H new ATOM 0 HG LEU A 10 -9.315 -5.449 -27.973 1.00 62.13 H new ATOM 0 HD11 LEU A 10 -7.761 -7.272 -28.527 1.00 5.20 H new ATOM 0 HD12 LEU A 10 -7.605 -6.749 -26.833 1.00 5.20 H new ATOM 0 HD13 LEU A 10 -8.462 -8.259 -27.223 1.00 5.20 H new ATOM 0 HD21 LEU A 10 -9.941 -7.078 -29.706 1.00 41.44 H new ATOM 0 HD22 LEU A 10 -10.784 -8.052 -28.479 1.00 41.44 H new ATOM 0 HD23 LEU A 10 -11.362 -6.414 -28.866 1.00 41.44 H new ATOM 163 N ILE A 11 -8.600 -3.232 -25.649 1.00 12.31 N ATOM 164 CA ILE A 11 -8.227 -1.960 -26.245 1.00 62.30 C ATOM 165 C ILE A 11 -7.302 -2.213 -27.437 1.00 64.01 C ATOM 166 O ILE A 11 -6.182 -2.692 -27.268 1.00 24.43 O ATOM 167 CB ILE A 11 -7.629 -1.028 -25.189 1.00 64.51 C ATOM 168 CG1 ILE A 11 -8.178 -1.352 -23.798 1.00 51.32 C ATOM 169 CG2 ILE A 11 -7.847 0.438 -25.565 1.00 53.43 C ATOM 170 CD1 ILE A 11 -7.997 -0.166 -22.848 1.00 62.20 C ATOM 0 H ILE A 11 -8.029 -3.513 -24.852 1.00 12.31 H new ATOM 0 HA ILE A 11 -9.108 -1.445 -26.628 1.00 62.30 H new ATOM 0 HB ILE A 11 -6.552 -1.194 -25.156 1.00 64.51 H new ATOM 0 HG12 ILE A 11 -9.235 -1.607 -23.871 1.00 51.32 H new ATOM 0 HG13 ILE A 11 -7.666 -2.226 -23.396 1.00 51.32 H new ATOM 0 HG21 ILE A 11 -7.412 1.079 -24.798 1.00 53.43 H new ATOM 0 HG22 ILE A 11 -7.369 0.643 -26.523 1.00 53.43 H new ATOM 0 HG23 ILE A 11 -8.916 0.639 -25.643 1.00 53.43 H new ATOM 0 HD11 ILE A 11 -8.395 -0.422 -21.866 1.00 62.20 H new ATOM 0 HD12 ILE A 11 -6.937 0.070 -22.759 1.00 62.20 H new ATOM 0 HD13 ILE A 11 -8.530 0.700 -23.241 1.00 62.20 H new ATOM 182 N PRO A 12 -7.818 -1.870 -28.648 1.00 23.41 N ATOM 183 CA PRO A 12 -7.050 -2.055 -29.868 1.00 34.21 C ATOM 184 C PRO A 12 -5.957 -0.992 -29.994 1.00 71.33 C ATOM 185 O PRO A 12 -5.919 -0.041 -29.216 1.00 5.30 O ATOM 186 CB PRO A 12 -8.074 -1.991 -30.990 1.00 22.12 C ATOM 187 CG PRO A 12 -9.299 -1.313 -30.398 1.00 42.23 C ATOM 188 CD PRO A 12 -9.140 -1.300 -28.887 1.00 33.23 C ATOM 0 HA PRO A 12 -6.515 -3.004 -29.889 1.00 34.21 H new ATOM 0 HB2 PRO A 12 -7.688 -1.427 -31.839 1.00 22.12 H new ATOM 0 HB3 PRO A 12 -8.318 -2.989 -31.354 1.00 22.12 H new ATOM 0 HG2 PRO A 12 -9.395 -0.297 -30.780 1.00 42.23 H new ATOM 0 HG3 PRO A 12 -10.206 -1.847 -30.682 1.00 42.23 H new ATOM 0 HD2 PRO A 12 -9.212 -0.287 -28.490 1.00 33.23 H new ATOM 0 HD3 PRO A 12 -9.919 -1.889 -28.402 1.00 33.23 H new ATOM 196 N ILE A 13 -5.095 -1.190 -30.981 1.00 74.21 N ATOM 197 CA ILE A 13 -4.004 -0.260 -31.220 1.00 35.53 C ATOM 198 C ILE A 13 -4.569 1.050 -31.772 1.00 4.11 C ATOM 199 O ILE A 13 -5.623 1.058 -32.406 1.00 3.11 O ATOM 200 CB ILE A 13 -2.943 -0.899 -32.117 1.00 24.41 C ATOM 201 CG1 ILE A 13 -1.726 0.017 -32.265 1.00 54.22 C ATOM 202 CG2 ILE A 13 -3.534 -1.291 -33.473 1.00 22.24 C ATOM 203 CD1 ILE A 13 -0.450 -0.797 -32.486 1.00 50.04 C ATOM 0 H ILE A 13 -5.130 -1.981 -31.624 1.00 74.21 H new ATOM 0 HA ILE A 13 -3.496 -0.020 -30.286 1.00 35.53 H new ATOM 0 HB ILE A 13 -2.599 -1.816 -31.639 1.00 24.41 H new ATOM 0 HG12 ILE A 13 -1.878 0.696 -33.104 1.00 54.22 H new ATOM 0 HG13 ILE A 13 -1.619 0.632 -31.372 1.00 54.22 H new ATOM 0 HG21 ILE A 13 -2.758 -1.743 -34.091 1.00 22.24 H new ATOM 0 HG22 ILE A 13 -4.342 -2.007 -33.324 1.00 22.24 H new ATOM 0 HG23 ILE A 13 -3.923 -0.403 -33.971 1.00 22.24 H new ATOM 0 HD11 ILE A 13 0.399 -0.122 -32.588 1.00 50.04 H new ATOM 0 HD12 ILE A 13 -0.288 -1.458 -31.634 1.00 50.04 H new ATOM 0 HD13 ILE A 13 -0.551 -1.393 -33.393 1.00 50.04 H new ATOM 215 N ASN A 14 -3.842 2.127 -31.511 1.00 63.41 N ATOM 216 CA ASN A 14 -4.256 3.440 -31.974 1.00 74.01 C ATOM 217 C ASN A 14 -5.760 3.605 -31.746 1.00 12.13 C ATOM 218 O ASN A 14 -6.500 3.933 -32.672 1.00 11.21 O ATOM 219 CB ASN A 14 -3.984 3.608 -33.470 1.00 73.22 C ATOM 220 CG ASN A 14 -2.507 3.370 -33.789 1.00 3.42 C ATOM 221 OD1 ASN A 14 -1.642 3.431 -32.930 1.00 53.21 O ATOM 222 ND2 ASN A 14 -2.266 3.097 -35.068 1.00 53.30 N ATOM 0 H ASN A 14 -2.968 2.117 -30.984 1.00 63.41 H new ATOM 0 HA ASN A 14 -3.690 4.187 -31.418 1.00 74.01 H new ATOM 0 HB2 ASN A 14 -4.599 2.908 -34.036 1.00 73.22 H new ATOM 0 HB3 ASN A 14 -4.271 4.611 -33.785 1.00 73.22 H new ATOM 0 HD21 ASN A 14 -1.311 2.923 -35.381 1.00 53.30 H new ATOM 0 HD22 ASN A 14 -3.036 3.061 -35.736 1.00 53.30 H new ATOM 229 N THR A 15 -6.167 3.370 -30.507 1.00 55.20 N ATOM 230 CA THR A 15 -7.570 3.489 -30.145 1.00 63.21 C ATOM 231 C THR A 15 -7.740 4.476 -28.989 1.00 54.21 C ATOM 232 O THR A 15 -7.098 4.338 -27.950 1.00 25.24 O ATOM 233 CB THR A 15 -8.097 2.087 -29.830 1.00 42.41 C ATOM 234 OG1 THR A 15 -8.065 1.414 -31.086 1.00 11.24 O ATOM 235 CG2 THR A 15 -9.578 2.091 -29.447 1.00 11.42 C ATOM 0 H THR A 15 -5.550 3.098 -29.741 1.00 55.20 H new ATOM 0 HA THR A 15 -8.158 3.896 -30.968 1.00 63.21 H new ATOM 0 HB THR A 15 -7.513 1.654 -29.018 1.00 42.41 H new ATOM 0 HG1 THR A 15 -7.135 1.233 -31.336 1.00 11.24 H new ATOM 0 HG21 THR A 15 -9.901 1.072 -29.234 1.00 11.42 H new ATOM 0 HG22 THR A 15 -9.723 2.711 -28.562 1.00 11.42 H new ATOM 0 HG23 THR A 15 -10.166 2.493 -30.272 1.00 11.42 H new ATOM 243 N ALA A 16 -8.610 5.451 -29.209 1.00 53.13 N ATOM 244 CA ALA A 16 -8.874 6.461 -28.199 1.00 3.52 C ATOM 245 C ALA A 16 -9.348 5.780 -26.914 1.00 32.12 C ATOM 246 O ALA A 16 -10.243 4.936 -26.948 1.00 41.52 O ATOM 247 CB ALA A 16 -9.894 7.467 -28.736 1.00 43.31 C ATOM 0 H ALA A 16 -9.141 5.563 -30.073 1.00 53.13 H new ATOM 0 HA ALA A 16 -7.965 7.014 -27.963 1.00 3.52 H new ATOM 0 HB1 ALA A 16 -10.092 8.225 -27.978 1.00 43.31 H new ATOM 0 HB2 ALA A 16 -9.497 7.945 -29.632 1.00 43.31 H new ATOM 0 HB3 ALA A 16 -10.821 6.949 -28.982 1.00 43.31 H new ATOM 253 N LEU A 17 -8.727 6.171 -25.811 1.00 35.15 N ATOM 254 CA LEU A 17 -9.075 5.608 -24.517 1.00 11.12 C ATOM 255 C LEU A 17 -10.289 6.350 -23.952 1.00 64.34 C ATOM 256 O LEU A 17 -10.408 7.563 -24.111 1.00 40.55 O ATOM 257 CB LEU A 17 -7.861 5.616 -23.585 1.00 54.43 C ATOM 258 CG LEU A 17 -6.689 4.727 -24.004 1.00 4.22 C ATOM 259 CD1 LEU A 17 -5.426 5.076 -23.213 1.00 14.41 C ATOM 260 CD2 LEU A 17 -7.052 3.246 -23.879 1.00 42.21 C ATOM 0 H LEU A 17 -7.985 6.871 -25.786 1.00 35.15 H new ATOM 0 HA LEU A 17 -9.361 4.561 -24.622 1.00 11.12 H new ATOM 0 HB2 LEU A 17 -7.501 6.641 -23.498 1.00 54.43 H new ATOM 0 HB3 LEU A 17 -8.188 5.308 -22.592 1.00 54.43 H new ATOM 0 HG LEU A 17 -6.474 4.918 -25.055 1.00 4.22 H new ATOM 0 HD11 LEU A 17 -4.608 4.429 -23.530 1.00 14.41 H new ATOM 0 HD12 LEU A 17 -5.158 6.117 -23.396 1.00 14.41 H new ATOM 0 HD13 LEU A 17 -5.611 4.931 -22.149 1.00 14.41 H new ATOM 0 HD21 LEU A 17 -6.201 2.636 -24.183 1.00 42.21 H new ATOM 0 HD22 LEU A 17 -7.309 3.020 -22.844 1.00 42.21 H new ATOM 0 HD23 LEU A 17 -7.905 3.025 -24.521 1.00 42.21 H new ATOM 272 N THR A 18 -11.158 5.589 -23.305 1.00 34.44 N ATOM 273 CA THR A 18 -12.358 6.158 -22.716 1.00 13.33 C ATOM 274 C THR A 18 -12.474 5.754 -21.245 1.00 11.03 C ATOM 275 O THR A 18 -11.716 4.912 -20.767 1.00 64.42 O ATOM 276 CB THR A 18 -13.555 5.720 -23.562 1.00 63.55 C ATOM 277 OG1 THR A 18 -13.247 4.378 -23.930 1.00 25.32 O ATOM 278 CG2 THR A 18 -13.631 6.463 -24.898 1.00 13.05 C ATOM 0 H THR A 18 -11.055 4.582 -23.175 1.00 34.44 H new ATOM 0 HA THR A 18 -12.321 7.247 -22.720 1.00 13.33 H new ATOM 0 HB THR A 18 -14.475 5.885 -23.001 1.00 63.55 H new ATOM 0 HG1 THR A 18 -13.514 4.225 -24.860 1.00 25.32 H new ATOM 0 HG21 THR A 18 -14.498 6.115 -25.459 1.00 13.05 H new ATOM 0 HG22 THR A 18 -13.724 7.533 -24.714 1.00 13.05 H new ATOM 0 HG23 THR A 18 -12.725 6.271 -25.473 1.00 13.05 H new ATOM 286 N VAL A 19 -13.429 6.374 -20.567 1.00 73.33 N ATOM 287 CA VAL A 19 -13.654 6.089 -19.160 1.00 73.03 C ATOM 288 C VAL A 19 -14.397 4.758 -19.026 1.00 54.31 C ATOM 289 O VAL A 19 -14.478 4.195 -17.935 1.00 40.54 O ATOM 290 CB VAL A 19 -14.394 7.256 -18.502 1.00 25.40 C ATOM 291 CG1 VAL A 19 -15.909 7.067 -18.596 1.00 1.14 C ATOM 292 CG2 VAL A 19 -13.952 7.434 -17.048 1.00 42.11 C ATOM 0 H VAL A 19 -14.056 7.073 -20.966 1.00 73.33 H new ATOM 0 HA VAL A 19 -12.705 5.985 -18.634 1.00 73.03 H new ATOM 0 HB VAL A 19 -14.136 8.166 -19.044 1.00 25.40 H new ATOM 0 HG11 VAL A 19 -16.411 7.910 -18.121 1.00 1.14 H new ATOM 0 HG12 VAL A 19 -16.205 7.012 -19.644 1.00 1.14 H new ATOM 0 HG13 VAL A 19 -16.193 6.144 -18.090 1.00 1.14 H new ATOM 0 HG21 VAL A 19 -14.492 8.269 -16.603 1.00 42.11 H new ATOM 0 HG22 VAL A 19 -14.167 6.524 -16.488 1.00 42.11 H new ATOM 0 HG23 VAL A 19 -12.881 7.636 -17.015 1.00 42.11 H new ATOM 302 N GLY A 20 -14.922 4.294 -20.151 1.00 24.12 N ATOM 303 CA GLY A 20 -15.655 3.040 -20.173 1.00 34.15 C ATOM 304 C GLY A 20 -14.810 1.920 -20.782 1.00 43.24 C ATOM 305 O GLY A 20 -15.320 0.838 -21.069 1.00 44.23 O ATOM 0 H GLY A 20 -14.854 4.764 -21.054 1.00 24.12 H new ATOM 0 HA2 GLY A 20 -15.948 2.768 -19.159 1.00 34.15 H new ATOM 0 HA3 GLY A 20 -16.573 3.161 -20.748 1.00 34.15 H new ATOM 309 N MET A 21 -13.531 2.219 -20.962 1.00 74.44 N ATOM 310 CA MET A 21 -12.610 1.251 -21.533 1.00 31.40 C ATOM 311 C MET A 21 -11.534 0.854 -20.520 1.00 13.33 C ATOM 312 O MET A 21 -11.078 -0.288 -20.508 1.00 41.14 O ATOM 313 CB MET A 21 -11.946 1.848 -22.775 1.00 52.22 C ATOM 314 CG MET A 21 -12.660 1.394 -24.050 1.00 41.12 C ATOM 315 SD MET A 21 -11.463 1.043 -25.327 1.00 74.24 S ATOM 316 CE MET A 21 -10.551 2.577 -25.328 1.00 21.14 C ATOM 0 H MET A 21 -13.112 3.117 -20.723 1.00 74.44 H new ATOM 0 HA MET A 21 -13.174 0.359 -21.805 1.00 31.40 H new ATOM 0 HB2 MET A 21 -11.962 2.936 -22.713 1.00 52.22 H new ATOM 0 HB3 MET A 21 -10.899 1.546 -22.813 1.00 52.22 H new ATOM 0 HG2 MET A 21 -13.257 0.505 -23.846 1.00 41.12 H new ATOM 0 HG3 MET A 21 -13.348 2.169 -24.388 1.00 41.12 H new ATOM 0 HE1 MET A 21 -9.879 2.600 -26.186 1.00 21.14 H new ATOM 0 HE2 MET A 21 -11.247 3.414 -25.389 1.00 21.14 H new ATOM 0 HE3 MET A 21 -9.970 2.655 -24.409 1.00 21.14 H new ATOM 326 N MET A 22 -11.160 1.820 -19.693 1.00 54.04 N ATOM 327 CA MET A 22 -10.147 1.586 -18.679 1.00 1.22 C ATOM 328 C MET A 22 -10.788 1.287 -17.322 1.00 61.52 C ATOM 329 O MET A 22 -11.995 1.449 -17.153 1.00 13.44 O ATOM 330 CB MET A 22 -9.250 2.820 -18.559 1.00 15.25 C ATOM 331 CG MET A 22 -8.370 2.981 -19.799 1.00 43.13 C ATOM 332 SD MET A 22 -7.656 4.617 -19.833 1.00 60.35 S ATOM 333 CE MET A 22 -9.098 5.575 -20.268 1.00 1.12 C ATOM 0 H MET A 22 -11.541 2.766 -19.705 1.00 54.04 H new ATOM 0 HA MET A 22 -9.554 0.722 -18.978 1.00 1.22 H new ATOM 0 HB2 MET A 22 -9.866 3.710 -18.428 1.00 15.25 H new ATOM 0 HB3 MET A 22 -8.622 2.733 -17.672 1.00 15.25 H new ATOM 0 HG2 MET A 22 -7.580 2.230 -19.794 1.00 43.13 H new ATOM 0 HG3 MET A 22 -8.962 2.815 -20.699 1.00 43.13 H new ATOM 0 HE1 MET A 22 -8.792 6.575 -20.574 1.00 1.12 H new ATOM 0 HE2 MET A 22 -9.623 5.089 -21.090 1.00 1.12 H new ATOM 0 HE3 MET A 22 -9.761 5.647 -19.406 1.00 1.12 H new ATOM 343 N THR A 23 -9.951 0.854 -16.391 1.00 21.22 N ATOM 344 CA THR A 23 -10.421 0.530 -15.054 1.00 62.15 C ATOM 345 C THR A 23 -9.261 0.566 -14.058 1.00 4.42 C ATOM 346 O THR A 23 -8.100 0.662 -14.454 1.00 10.31 O ATOM 347 CB THR A 23 -11.126 -0.827 -15.117 1.00 43.41 C ATOM 348 OG1 THR A 23 -12.090 -0.766 -14.069 1.00 43.45 O ATOM 349 CG2 THR A 23 -10.208 -1.982 -14.712 1.00 74.45 C ATOM 0 H THR A 23 -8.950 0.720 -16.536 1.00 21.22 H new ATOM 0 HA THR A 23 -11.138 1.269 -14.697 1.00 62.15 H new ATOM 0 HB THR A 23 -11.499 -0.996 -16.127 1.00 43.41 H new ATOM 0 HG1 THR A 23 -12.594 -1.606 -14.039 1.00 43.45 H new ATOM 0 HG21 THR A 23 -10.757 -2.922 -14.774 1.00 74.45 H new ATOM 0 HG22 THR A 23 -9.350 -2.018 -15.384 1.00 74.45 H new ATOM 0 HG23 THR A 23 -9.862 -1.830 -13.690 1.00 74.45 H new ATOM 357 N THR A 24 -9.615 0.488 -12.784 1.00 24.15 N ATOM 358 CA THR A 24 -8.617 0.511 -11.727 1.00 33.20 C ATOM 359 C THR A 24 -8.543 -0.852 -11.035 1.00 5.53 C ATOM 360 O THR A 24 -9.566 -1.408 -10.640 1.00 22.21 O ATOM 361 CB THR A 24 -8.963 1.658 -10.775 1.00 61.24 C ATOM 362 OG1 THR A 24 -10.257 1.322 -10.283 1.00 54.40 O ATOM 363 CG2 THR A 24 -9.175 2.984 -11.509 1.00 74.40 C ATOM 0 H THR A 24 -10.579 0.409 -12.459 1.00 24.15 H new ATOM 0 HA THR A 24 -7.620 0.692 -12.128 1.00 33.20 H new ATOM 0 HB THR A 24 -8.166 1.774 -10.040 1.00 61.24 H new ATOM 0 HG1 THR A 24 -10.220 1.220 -9.309 1.00 54.40 H new ATOM 0 HG21 THR A 24 -9.418 3.764 -10.788 1.00 74.40 H new ATOM 0 HG22 THR A 24 -8.264 3.254 -12.043 1.00 74.40 H new ATOM 0 HG23 THR A 24 -9.994 2.879 -12.220 1.00 74.40 H new ATOM 371 N ARG A 25 -7.321 -1.349 -10.909 1.00 31.23 N ATOM 372 CA ARG A 25 -7.099 -2.636 -10.271 1.00 13.21 C ATOM 373 C ARG A 25 -5.653 -2.745 -9.785 1.00 65.13 C ATOM 374 O ARG A 25 -4.739 -2.223 -10.422 1.00 71.04 O ATOM 375 CB ARG A 25 -7.395 -3.787 -11.235 1.00 2.51 C ATOM 376 CG ARG A 25 -8.519 -4.675 -10.699 1.00 71.44 C ATOM 377 CD ARG A 25 -9.764 -4.578 -11.584 1.00 3.11 C ATOM 378 NE ARG A 25 -10.319 -5.928 -11.827 1.00 12.03 N ATOM 379 CZ ARG A 25 -11.563 -6.161 -12.297 1.00 63.44 C ATOM 380 NH1 ARG A 25 -12.392 -5.134 -12.580 1.00 72.54 N ATOM 381 NH2 ARG A 25 -11.956 -7.409 -12.477 1.00 4.23 N ATOM 0 H ARG A 25 -6.475 -0.884 -11.238 1.00 31.23 H new ATOM 0 HA ARG A 25 -7.777 -2.706 -9.421 1.00 13.21 H new ATOM 0 HB2 ARG A 25 -7.676 -3.387 -12.209 1.00 2.51 H new ATOM 0 HB3 ARG A 25 -6.495 -4.383 -11.383 1.00 2.51 H new ATOM 0 HG2 ARG A 25 -8.180 -5.710 -10.655 1.00 71.44 H new ATOM 0 HG3 ARG A 25 -8.768 -4.377 -9.681 1.00 71.44 H new ATOM 0 HD2 ARG A 25 -10.513 -3.949 -11.104 1.00 3.11 H new ATOM 0 HD3 ARG A 25 -9.510 -4.104 -12.532 1.00 3.11 H new ATOM 0 HE ARG A 25 -9.725 -6.733 -11.627 1.00 12.03 H new ATOM 0 HH11 ARG A 25 -12.080 -4.173 -12.439 1.00 72.54 H new ATOM 0 HH12 ARG A 25 -13.330 -5.319 -12.935 1.00 72.54 H new ATOM 0 HH21 ARG A 25 -11.323 -8.179 -12.262 1.00 4.23 H new ATOM 0 HH22 ARG A 25 -12.893 -7.603 -12.831 1.00 4.23 H new ATOM 394 N VAL A 26 -5.489 -3.427 -8.661 1.00 72.22 N ATOM 395 CA VAL A 26 -4.169 -3.612 -8.083 1.00 11.31 C ATOM 396 C VAL A 26 -3.448 -4.742 -8.820 1.00 4.13 C ATOM 397 O VAL A 26 -3.439 -5.882 -8.358 1.00 63.14 O ATOM 398 CB VAL A 26 -4.287 -3.859 -6.578 1.00 31.24 C ATOM 399 CG1 VAL A 26 -2.909 -4.064 -5.946 1.00 21.40 C ATOM 400 CG2 VAL A 26 -5.040 -2.718 -5.892 1.00 12.43 C ATOM 0 H VAL A 26 -6.249 -3.858 -8.135 1.00 72.22 H new ATOM 0 HA VAL A 26 -3.569 -2.710 -8.205 1.00 11.31 H new ATOM 0 HB VAL A 26 -4.861 -4.774 -6.433 1.00 31.24 H new ATOM 0 HG11 VAL A 26 -3.022 -4.238 -4.876 1.00 21.40 H new ATOM 0 HG12 VAL A 26 -2.423 -4.925 -6.404 1.00 21.40 H new ATOM 0 HG13 VAL A 26 -2.299 -3.175 -6.107 1.00 21.40 H new ATOM 0 HG21 VAL A 26 -5.110 -2.919 -4.823 1.00 12.43 H new ATOM 0 HG22 VAL A 26 -4.505 -1.782 -6.051 1.00 12.43 H new ATOM 0 HG23 VAL A 26 -6.043 -2.639 -6.312 1.00 12.43 H new ATOM 410 N VAL A 27 -2.860 -4.386 -9.953 1.00 31.13 N ATOM 411 CA VAL A 27 -2.138 -5.356 -10.758 1.00 23.30 C ATOM 412 C VAL A 27 -0.634 -5.111 -10.617 1.00 31.21 C ATOM 413 O VAL A 27 -0.212 -4.017 -10.246 1.00 50.13 O ATOM 414 CB VAL A 27 -2.620 -5.295 -12.209 1.00 1.03 C ATOM 415 CG1 VAL A 27 -4.148 -5.248 -12.277 1.00 44.32 C ATOM 416 CG2 VAL A 27 -2.001 -4.103 -12.942 1.00 60.43 C ATOM 0 H VAL A 27 -2.869 -3.439 -10.332 1.00 31.13 H new ATOM 0 HA VAL A 27 -2.337 -6.368 -10.406 1.00 23.30 H new ATOM 0 HB VAL A 27 -2.290 -6.205 -12.711 1.00 1.03 H new ATOM 0 HG11 VAL A 27 -4.465 -5.205 -13.319 1.00 44.32 H new ATOM 0 HG12 VAL A 27 -4.561 -6.142 -11.809 1.00 44.32 H new ATOM 0 HG13 VAL A 27 -4.509 -4.364 -11.751 1.00 44.32 H new ATOM 0 HG21 VAL A 27 -2.360 -4.082 -13.971 1.00 60.43 H new ATOM 0 HG22 VAL A 27 -2.287 -3.179 -12.440 1.00 60.43 H new ATOM 0 HG23 VAL A 27 -0.915 -4.197 -12.938 1.00 60.43 H new ATOM 426 N SER A 28 0.133 -6.148 -10.920 1.00 1.02 N ATOM 427 CA SER A 28 1.581 -6.059 -10.831 1.00 73.04 C ATOM 428 C SER A 28 2.214 -6.515 -12.147 1.00 63.32 C ATOM 429 O SER A 28 1.807 -7.525 -12.719 1.00 70.13 O ATOM 430 CB SER A 28 2.114 -6.896 -9.667 1.00 72.32 C ATOM 431 OG SER A 28 3.369 -6.415 -9.194 1.00 40.13 O ATOM 0 H SER A 28 -0.221 -7.054 -11.227 1.00 1.02 H new ATOM 0 HA SER A 28 1.850 -5.019 -10.647 1.00 73.04 H new ATOM 0 HB2 SER A 28 1.391 -6.885 -8.852 1.00 72.32 H new ATOM 0 HB3 SER A 28 2.220 -7.933 -9.985 1.00 72.32 H new ATOM 0 HG SER A 28 3.675 -6.975 -8.450 1.00 40.13 H new ATOM 437 N PRO A 29 3.227 -5.729 -12.601 1.00 11.34 N ATOM 438 CA PRO A 29 3.647 -4.550 -11.862 1.00 64.30 C ATOM 439 C PRO A 29 2.641 -3.410 -12.029 1.00 74.20 C ATOM 440 O PRO A 29 1.936 -3.342 -13.035 1.00 34.34 O ATOM 441 CB PRO A 29 5.024 -4.212 -12.411 1.00 31.42 C ATOM 442 CG PRO A 29 5.126 -4.926 -13.749 1.00 31.31 C ATOM 443 CD PRO A 29 3.995 -5.940 -13.824 1.00 5.41 C ATOM 0 HA PRO A 29 3.692 -4.722 -10.787 1.00 64.30 H new ATOM 0 HB2 PRO A 29 5.142 -3.135 -12.533 1.00 31.42 H new ATOM 0 HB3 PRO A 29 5.808 -4.544 -11.730 1.00 31.42 H new ATOM 0 HG2 PRO A 29 5.053 -4.212 -14.569 1.00 31.31 H new ATOM 0 HG3 PRO A 29 6.091 -5.423 -13.844 1.00 31.31 H new ATOM 0 HD2 PRO A 29 3.380 -5.782 -14.710 1.00 5.41 H new ATOM 0 HD3 PRO A 29 4.379 -6.959 -13.880 1.00 5.41 H new ATOM 451 N THR A 30 2.606 -2.543 -11.028 1.00 52.11 N ATOM 452 CA THR A 30 1.697 -1.409 -11.052 1.00 23.15 C ATOM 453 C THR A 30 2.077 -0.445 -12.177 1.00 11.20 C ATOM 454 O THR A 30 3.171 0.118 -12.175 1.00 33.13 O ATOM 455 CB THR A 30 1.713 -0.762 -9.665 1.00 43.34 C ATOM 456 OG1 THR A 30 3.098 -0.656 -9.348 1.00 4.13 O ATOM 457 CG2 THR A 30 1.152 -1.684 -8.582 1.00 31.44 C ATOM 0 H THR A 30 3.192 -2.603 -10.195 1.00 52.11 H new ATOM 0 HA THR A 30 0.676 -1.724 -11.268 1.00 23.15 H new ATOM 0 HB THR A 30 1.135 0.162 -9.689 1.00 43.34 H new ATOM 0 HG1 THR A 30 3.591 -0.343 -10.135 1.00 4.13 H new ATOM 0 HG21 THR A 30 1.187 -1.176 -7.618 1.00 31.44 H new ATOM 0 HG22 THR A 30 0.120 -1.940 -8.821 1.00 31.44 H new ATOM 0 HG23 THR A 30 1.749 -2.594 -8.534 1.00 31.44 H new ATOM 465 N GLY A 31 1.152 -0.284 -13.112 1.00 0.42 N ATOM 466 CA GLY A 31 1.376 0.603 -14.241 1.00 71.01 C ATOM 467 C GLY A 31 0.751 1.977 -13.992 1.00 0.13 C ATOM 468 O GLY A 31 0.668 2.427 -12.850 1.00 1.30 O ATOM 0 H GLY A 31 0.246 -0.753 -13.111 1.00 0.42 H new ATOM 0 HA2 GLY A 31 2.446 0.713 -14.415 1.00 71.01 H new ATOM 0 HA3 GLY A 31 0.950 0.164 -15.143 1.00 71.01 H new ATOM 472 N ILE A 32 0.327 2.605 -15.079 1.00 5.34 N ATOM 473 CA ILE A 32 -0.287 3.919 -14.992 1.00 74.01 C ATOM 474 C ILE A 32 -1.217 3.963 -13.778 1.00 12.21 C ATOM 475 O ILE A 32 -1.889 2.980 -13.470 1.00 24.24 O ATOM 476 CB ILE A 32 -0.979 4.275 -16.310 1.00 30.43 C ATOM 477 CG1 ILE A 32 0.034 4.368 -17.453 1.00 34.21 C ATOM 478 CG2 ILE A 32 -1.803 5.556 -16.168 1.00 1.11 C ATOM 479 CD1 ILE A 32 -0.672 4.573 -18.795 1.00 2.01 C ATOM 0 H ILE A 32 0.397 2.228 -16.024 1.00 5.34 H new ATOM 0 HA ILE A 32 0.473 4.686 -14.840 1.00 74.01 H new ATOM 0 HB ILE A 32 -1.673 3.472 -16.560 1.00 30.43 H new ATOM 0 HG12 ILE A 32 0.721 5.194 -17.269 1.00 34.21 H new ATOM 0 HG13 ILE A 32 0.633 3.458 -17.488 1.00 34.21 H new ATOM 0 HG21 ILE A 32 -2.284 5.786 -17.119 1.00 1.11 H new ATOM 0 HG22 ILE A 32 -2.564 5.416 -15.401 1.00 1.11 H new ATOM 0 HG23 ILE A 32 -1.149 6.380 -15.884 1.00 1.11 H new ATOM 0 HD11 ILE A 32 0.070 4.636 -19.591 1.00 2.01 H new ATOM 0 HD12 ILE A 32 -1.340 3.733 -18.987 1.00 2.01 H new ATOM 0 HD13 ILE A 32 -1.250 5.496 -18.765 1.00 2.01 H new ATOM 491 N PRO A 33 -1.227 5.144 -13.104 1.00 40.51 N ATOM 492 CA PRO A 33 -2.063 5.330 -11.931 1.00 33.25 C ATOM 493 C PRO A 33 -3.531 5.503 -12.325 1.00 54.12 C ATOM 494 O PRO A 33 -3.832 5.997 -13.411 1.00 21.20 O ATOM 495 CB PRO A 33 -1.489 6.549 -11.227 1.00 74.10 C ATOM 496 CG PRO A 33 -0.652 7.275 -12.267 1.00 60.34 C ATOM 497 CD PRO A 33 -0.445 6.331 -13.440 1.00 60.45 C ATOM 0 HA PRO A 33 -2.056 4.464 -11.269 1.00 33.25 H new ATOM 0 HB2 PRO A 33 -2.284 7.191 -10.848 1.00 74.10 H new ATOM 0 HB3 PRO A 33 -0.881 6.256 -10.371 1.00 74.10 H new ATOM 0 HG2 PRO A 33 -1.155 8.185 -12.594 1.00 60.34 H new ATOM 0 HG3 PRO A 33 0.307 7.574 -11.844 1.00 60.34 H new ATOM 0 HD2 PRO A 33 -0.786 6.779 -14.373 1.00 60.45 H new ATOM 0 HD3 PRO A 33 0.609 6.087 -13.570 1.00 60.45 H new ATOM 505 N ALA A 34 -4.407 5.087 -11.422 1.00 2.42 N ATOM 506 CA ALA A 34 -5.836 5.191 -11.662 1.00 32.52 C ATOM 507 C ALA A 34 -6.224 6.666 -11.782 1.00 65.23 C ATOM 508 O ALA A 34 -7.325 6.988 -12.226 1.00 23.13 O ATOM 509 CB ALA A 34 -6.595 4.478 -10.540 1.00 50.24 C ATOM 0 H ALA A 34 -4.154 4.677 -10.523 1.00 2.42 H new ATOM 0 HA ALA A 34 -6.104 4.703 -12.599 1.00 32.52 H new ATOM 0 HB1 ALA A 34 -7.667 4.556 -10.720 1.00 50.24 H new ATOM 0 HB2 ALA A 34 -6.306 3.427 -10.516 1.00 50.24 H new ATOM 0 HB3 ALA A 34 -6.353 4.943 -9.584 1.00 50.24 H new ATOM 515 N GLU A 35 -5.297 7.523 -11.380 1.00 23.32 N ATOM 516 CA GLU A 35 -5.527 8.956 -11.437 1.00 53.21 C ATOM 517 C GLU A 35 -5.257 9.481 -12.848 1.00 44.44 C ATOM 518 O GLU A 35 -5.630 10.606 -13.178 1.00 42.03 O ATOM 519 CB GLU A 35 -4.670 9.691 -10.405 1.00 11.22 C ATOM 520 CG GLU A 35 -3.241 9.884 -10.916 1.00 51.33 C ATOM 521 CD GLU A 35 -2.253 9.994 -9.753 1.00 43.05 C ATOM 522 OE1 GLU A 35 -1.078 9.626 -9.902 1.00 21.15 O ATOM 523 OE2 GLU A 35 -2.743 10.483 -8.665 1.00 52.43 O ATOM 0 H GLU A 35 -4.385 7.252 -11.013 1.00 23.32 H new ATOM 0 HA GLU A 35 -6.572 9.146 -11.193 1.00 53.21 H new ATOM 0 HB2 GLU A 35 -5.115 10.661 -10.183 1.00 11.22 H new ATOM 0 HB3 GLU A 35 -4.653 9.127 -9.473 1.00 11.22 H new ATOM 0 HG2 GLU A 35 -2.963 9.046 -11.556 1.00 51.33 H new ATOM 0 HG3 GLU A 35 -3.189 10.784 -11.529 1.00 51.33 H new ATOM 531 N ASP A 36 -4.609 8.642 -13.644 1.00 14.24 N ATOM 532 CA ASP A 36 -4.284 9.008 -15.012 1.00 34.21 C ATOM 533 C ASP A 36 -5.381 8.493 -15.947 1.00 25.21 C ATOM 534 O ASP A 36 -5.370 8.784 -17.142 1.00 3.42 O ATOM 535 CB ASP A 36 -2.958 8.383 -15.449 1.00 32.43 C ATOM 536 CG ASP A 36 -1.741 9.302 -15.332 1.00 64.24 C ATOM 537 OD1 ASP A 36 -1.633 10.103 -14.392 1.00 41.23 O ATOM 538 OD2 ASP A 36 -0.866 9.170 -16.272 1.00 32.14 O ATOM 0 H ASP A 36 -4.301 7.710 -13.367 1.00 14.24 H new ATOM 0 HA ASP A 36 -4.204 10.094 -15.061 1.00 34.21 H new ATOM 0 HB2 ASP A 36 -2.779 7.490 -14.850 1.00 32.43 H new ATOM 0 HB3 ASP A 36 -3.051 8.058 -16.485 1.00 32.43 H new ATOM 544 N ILE A 37 -6.301 7.736 -15.367 1.00 63.15 N ATOM 545 CA ILE A 37 -7.402 7.178 -16.134 1.00 64.50 C ATOM 546 C ILE A 37 -8.105 8.300 -16.900 1.00 31.12 C ATOM 547 O ILE A 37 -8.353 8.178 -18.098 1.00 43.14 O ATOM 548 CB ILE A 37 -8.334 6.375 -15.225 1.00 75.31 C ATOM 549 CG1 ILE A 37 -7.925 4.901 -15.183 1.00 44.11 C ATOM 550 CG2 ILE A 37 -9.795 6.552 -15.645 1.00 31.31 C ATOM 551 CD1 ILE A 37 -9.051 4.035 -14.616 1.00 61.30 C ATOM 0 H ILE A 37 -6.307 7.496 -14.376 1.00 63.15 H new ATOM 0 HA ILE A 37 -7.030 6.471 -16.876 1.00 64.50 H new ATOM 0 HB ILE A 37 -8.240 6.764 -14.211 1.00 75.31 H new ATOM 0 HG12 ILE A 37 -7.671 4.562 -16.187 1.00 44.11 H new ATOM 0 HG13 ILE A 37 -7.030 4.786 -14.572 1.00 44.11 H new ATOM 0 HG21 ILE A 37 -10.437 5.971 -14.983 1.00 31.31 H new ATOM 0 HG22 ILE A 37 -10.067 7.606 -15.581 1.00 31.31 H new ATOM 0 HG23 ILE A 37 -9.923 6.206 -16.671 1.00 31.31 H new ATOM 0 HD11 ILE A 37 -8.734 2.992 -14.597 1.00 61.30 H new ATOM 0 HD12 ILE A 37 -9.286 4.361 -13.603 1.00 61.30 H new ATOM 0 HD13 ILE A 37 -9.937 4.134 -15.243 1.00 61.30 H new ATOM 563 N PRO A 38 -8.415 9.396 -16.157 1.00 32.03 N ATOM 564 CA PRO A 38 -9.085 10.539 -16.753 1.00 12.12 C ATOM 565 C PRO A 38 -8.118 11.354 -17.614 1.00 70.11 C ATOM 566 O PRO A 38 -8.531 12.277 -18.315 1.00 34.44 O ATOM 567 CB PRO A 38 -9.641 11.326 -15.577 1.00 53.24 C ATOM 568 CG PRO A 38 -8.871 10.852 -14.356 1.00 64.31 C ATOM 569 CD PRO A 38 -8.137 9.575 -14.735 1.00 13.33 C ATOM 0 HA PRO A 38 -9.884 10.249 -17.435 1.00 12.12 H new ATOM 0 HB2 PRO A 38 -9.512 12.398 -15.728 1.00 53.24 H new ATOM 0 HB3 PRO A 38 -10.710 11.148 -15.458 1.00 53.24 H new ATOM 0 HG2 PRO A 38 -8.165 11.616 -14.030 1.00 64.31 H new ATOM 0 HG3 PRO A 38 -9.550 10.669 -13.523 1.00 64.31 H new ATOM 0 HD2 PRO A 38 -7.067 9.663 -14.549 1.00 13.33 H new ATOM 0 HD3 PRO A 38 -8.493 8.726 -14.152 1.00 13.33 H new ATOM 577 N ARG A 39 -6.849 10.983 -17.534 1.00 4.11 N ATOM 578 CA ARG A 39 -5.819 11.668 -18.297 1.00 73.25 C ATOM 579 C ARG A 39 -5.509 10.896 -19.582 1.00 13.23 C ATOM 580 O ARG A 39 -4.916 11.443 -20.511 1.00 33.44 O ATOM 581 CB ARG A 39 -4.535 11.819 -17.479 1.00 55.21 C ATOM 582 CG ARG A 39 -4.742 12.782 -16.308 1.00 51.01 C ATOM 583 CD ARG A 39 -3.512 12.811 -15.399 1.00 0.14 C ATOM 584 NE ARG A 39 -2.431 13.597 -16.034 1.00 70.04 N ATOM 585 CZ ARG A 39 -1.545 13.089 -16.917 1.00 51.24 C ATOM 586 NH1 ARG A 39 -1.605 11.789 -17.277 1.00 44.43 N ATOM 587 NH2 ARG A 39 -0.620 13.883 -17.424 1.00 24.24 N ATOM 0 H ARG A 39 -6.510 10.217 -16.952 1.00 4.11 H new ATOM 0 HA ARG A 39 -6.196 12.660 -18.546 1.00 73.25 H new ATOM 0 HB2 ARG A 39 -4.222 10.845 -17.103 1.00 55.21 H new ATOM 0 HB3 ARG A 39 -3.733 12.186 -18.119 1.00 55.21 H new ATOM 0 HG2 ARG A 39 -4.942 13.784 -16.687 1.00 51.01 H new ATOM 0 HG3 ARG A 39 -5.617 12.478 -15.733 1.00 51.01 H new ATOM 0 HD2 ARG A 39 -3.772 13.248 -14.435 1.00 0.14 H new ATOM 0 HD3 ARG A 39 -3.168 11.795 -15.206 1.00 0.14 H new ATOM 0 HE ARG A 39 -2.350 14.584 -15.789 1.00 70.04 H new ATOM 0 HH11 ARG A 39 -2.324 11.183 -16.881 1.00 44.43 H new ATOM 0 HH12 ARG A 39 -0.932 11.413 -17.945 1.00 44.43 H new ATOM 0 HH21 ARG A 39 -0.583 14.864 -17.147 1.00 24.24 H new ATOM 0 HH22 ARG A 39 0.057 13.515 -18.092 1.00 24.24 H new ATOM 600 N LEU A 40 -5.924 9.638 -19.593 1.00 72.00 N ATOM 601 CA LEU A 40 -5.698 8.786 -20.748 1.00 33.30 C ATOM 602 C LEU A 40 -6.856 8.954 -21.735 1.00 25.24 C ATOM 603 O LEU A 40 -6.701 8.696 -22.927 1.00 54.14 O ATOM 604 CB LEU A 40 -5.470 7.338 -20.309 1.00 64.00 C ATOM 605 CG LEU A 40 -4.248 7.091 -19.421 1.00 14.31 C ATOM 606 CD1 LEU A 40 -4.437 5.837 -18.565 1.00 51.14 C ATOM 607 CD2 LEU A 40 -2.967 7.029 -20.255 1.00 74.32 C ATOM 0 H LEU A 40 -6.415 9.188 -18.821 1.00 72.00 H new ATOM 0 HA LEU A 40 -4.788 9.084 -21.269 1.00 33.30 H new ATOM 0 HB2 LEU A 40 -6.357 6.997 -19.775 1.00 64.00 H new ATOM 0 HB3 LEU A 40 -5.377 6.719 -21.201 1.00 64.00 H new ATOM 0 HG LEU A 40 -4.146 7.934 -18.738 1.00 14.31 H new ATOM 0 HD11 LEU A 40 -3.555 5.684 -17.944 1.00 51.14 H new ATOM 0 HD12 LEU A 40 -5.313 5.960 -17.928 1.00 51.14 H new ATOM 0 HD13 LEU A 40 -4.578 4.972 -19.213 1.00 51.14 H new ATOM 0 HD21 LEU A 40 -2.114 6.853 -19.599 1.00 74.32 H new ATOM 0 HD22 LEU A 40 -3.043 6.217 -20.978 1.00 74.32 H new ATOM 0 HD23 LEU A 40 -2.830 7.973 -20.782 1.00 74.32 H new ATOM 619 N ILE A 41 -7.989 9.385 -21.200 1.00 63.13 N ATOM 620 CA ILE A 41 -9.172 9.590 -22.019 1.00 5.31 C ATOM 621 C ILE A 41 -8.838 10.558 -23.156 1.00 3.21 C ATOM 622 O ILE A 41 -8.177 11.573 -22.938 1.00 74.14 O ATOM 623 CB ILE A 41 -10.350 10.041 -21.154 1.00 12.03 C ATOM 624 CG1 ILE A 41 -10.555 9.094 -19.969 1.00 44.13 C ATOM 625 CG2 ILE A 41 -11.620 10.192 -21.993 1.00 75.31 C ATOM 626 CD1 ILE A 41 -11.994 9.162 -19.456 1.00 32.53 C ATOM 0 H ILE A 41 -8.113 9.598 -20.210 1.00 63.13 H new ATOM 0 HA ILE A 41 -9.484 8.653 -22.479 1.00 5.31 H new ATOM 0 HB ILE A 41 -10.116 11.024 -20.744 1.00 12.03 H new ATOM 0 HG12 ILE A 41 -10.320 8.073 -20.270 1.00 44.13 H new ATOM 0 HG13 ILE A 41 -9.866 9.356 -19.166 1.00 44.13 H new ATOM 0 HG21 ILE A 41 -12.442 10.513 -21.354 1.00 75.31 H new ATOM 0 HG22 ILE A 41 -11.455 10.935 -22.773 1.00 75.31 H new ATOM 0 HG23 ILE A 41 -11.869 9.235 -22.451 1.00 75.31 H new ATOM 0 HD11 ILE A 41 -12.113 8.480 -18.614 1.00 32.53 H new ATOM 0 HD12 ILE A 41 -12.218 10.179 -19.133 1.00 32.53 H new ATOM 0 HD13 ILE A 41 -12.679 8.876 -20.254 1.00 32.53 H new ATOM 638 N SER A 42 -9.309 10.210 -24.344 1.00 55.10 N ATOM 639 CA SER A 42 -9.069 11.035 -25.516 1.00 13.44 C ATOM 640 C SER A 42 -7.705 10.699 -26.122 1.00 55.10 C ATOM 641 O SER A 42 -7.390 11.133 -27.229 1.00 10.43 O ATOM 642 CB SER A 42 -9.142 12.523 -25.166 1.00 13.03 C ATOM 643 OG SER A 42 -9.586 13.310 -26.268 1.00 34.50 O ATOM 0 H SER A 42 -9.856 9.367 -24.521 1.00 55.10 H new ATOM 0 HA SER A 42 -9.847 10.823 -26.249 1.00 13.44 H new ATOM 0 HB2 SER A 42 -9.819 12.664 -24.324 1.00 13.03 H new ATOM 0 HB3 SER A 42 -8.159 12.869 -24.846 1.00 13.03 H new ATOM 0 HG SER A 42 -9.621 14.253 -26.004 1.00 34.50 H new ATOM 649 N MET A 43 -6.933 9.928 -25.370 1.00 53.43 N ATOM 650 CA MET A 43 -5.611 9.529 -25.820 1.00 25.33 C ATOM 651 C MET A 43 -5.633 8.113 -26.400 1.00 51.21 C ATOM 652 O MET A 43 -6.181 7.197 -25.789 1.00 71.25 O ATOM 653 CB MET A 43 -4.634 9.583 -24.644 1.00 25.04 C ATOM 654 CG MET A 43 -4.837 10.857 -23.820 1.00 62.43 C ATOM 655 SD MET A 43 -3.262 11.473 -23.251 1.00 4.05 S ATOM 656 CE MET A 43 -2.479 9.938 -22.783 1.00 43.34 C ATOM 0 H MET A 43 -7.198 9.569 -24.453 1.00 53.43 H new ATOM 0 HA MET A 43 -5.291 10.217 -26.602 1.00 25.33 H new ATOM 0 HB2 MET A 43 -4.775 8.709 -24.009 1.00 25.04 H new ATOM 0 HB3 MET A 43 -3.610 9.545 -25.015 1.00 25.04 H new ATOM 0 HG2 MET A 43 -5.337 11.615 -24.424 1.00 62.43 H new ATOM 0 HG3 MET A 43 -5.485 10.650 -22.968 1.00 62.43 H new ATOM 0 HE1 MET A 43 -1.949 10.073 -21.840 1.00 43.34 H new ATOM 0 HE2 MET A 43 -3.237 9.164 -22.666 1.00 43.34 H new ATOM 0 HE3 MET A 43 -1.772 9.639 -23.557 1.00 43.34 H new ATOM 666 N GLN A 44 -5.031 7.979 -27.573 1.00 1.14 N ATOM 667 CA GLN A 44 -4.975 6.691 -28.242 1.00 60.32 C ATOM 668 C GLN A 44 -3.765 5.891 -27.755 1.00 2.41 C ATOM 669 O GLN A 44 -2.744 6.468 -27.384 1.00 1.34 O ATOM 670 CB GLN A 44 -4.942 6.864 -29.762 1.00 21.30 C ATOM 671 CG GLN A 44 -6.169 7.634 -30.253 1.00 73.00 C ATOM 672 CD GLN A 44 -6.041 7.981 -31.738 1.00 1.24 C ATOM 673 OE1 GLN A 44 -5.691 9.087 -32.115 1.00 5.32 O ATOM 674 NE2 GLN A 44 -6.343 6.977 -32.556 1.00 50.41 N ATOM 0 H GLN A 44 -4.578 8.741 -28.077 1.00 1.14 H new ATOM 0 HA GLN A 44 -5.878 6.134 -27.992 1.00 60.32 H new ATOM 0 HB2 GLN A 44 -4.035 7.395 -30.051 1.00 21.30 H new ATOM 0 HB3 GLN A 44 -4.906 5.886 -30.242 1.00 21.30 H new ATOM 0 HG2 GLN A 44 -7.066 7.036 -30.092 1.00 73.00 H new ATOM 0 HG3 GLN A 44 -6.286 8.548 -29.671 1.00 73.00 H new ATOM 0 HE21 GLN A 44 -6.629 6.076 -32.173 1.00 50.41 H new ATOM 0 HE22 GLN A 44 -6.288 7.108 -33.566 1.00 50.41 H new ATOM 683 N VAL A 45 -3.919 4.576 -27.772 1.00 31.40 N ATOM 684 CA VAL A 45 -2.852 3.691 -27.336 1.00 43.14 C ATOM 685 C VAL A 45 -1.961 3.346 -28.532 1.00 12.41 C ATOM 686 O VAL A 45 -2.444 3.234 -29.658 1.00 24.33 O ATOM 687 CB VAL A 45 -3.442 2.455 -26.654 1.00 43.23 C ATOM 688 CG1 VAL A 45 -4.074 2.820 -25.310 1.00 0.31 C ATOM 689 CG2 VAL A 45 -4.454 1.757 -27.565 1.00 1.21 C ATOM 0 H VAL A 45 -4.767 4.101 -28.081 1.00 31.40 H new ATOM 0 HA VAL A 45 -2.225 4.186 -26.595 1.00 43.14 H new ATOM 0 HB VAL A 45 -2.627 1.757 -26.462 1.00 43.23 H new ATOM 0 HG11 VAL A 45 -4.486 1.924 -24.846 1.00 0.31 H new ATOM 0 HG12 VAL A 45 -3.316 3.251 -24.656 1.00 0.31 H new ATOM 0 HG13 VAL A 45 -4.872 3.546 -25.468 1.00 0.31 H new ATOM 0 HG21 VAL A 45 -4.858 0.882 -27.056 1.00 1.21 H new ATOM 0 HG22 VAL A 45 -5.265 2.445 -27.803 1.00 1.21 H new ATOM 0 HG23 VAL A 45 -3.961 1.446 -28.486 1.00 1.21 H new ATOM 699 N ASN A 46 -0.677 3.189 -28.246 1.00 71.44 N ATOM 700 CA ASN A 46 0.285 2.859 -29.284 1.00 62.01 C ATOM 701 C ASN A 46 0.437 1.339 -29.368 1.00 61.15 C ATOM 702 O ASN A 46 1.470 0.838 -29.810 1.00 3.31 O ATOM 703 CB ASN A 46 1.659 3.455 -28.970 1.00 61.34 C ATOM 704 CG ASN A 46 2.228 2.870 -27.676 1.00 15.22 C ATOM 705 OD1 ASN A 46 2.161 1.679 -27.420 1.00 44.04 O ATOM 706 ND2 ASN A 46 2.788 3.772 -26.875 1.00 42.34 N ATOM 0 H ASN A 46 -0.280 3.284 -27.311 1.00 71.44 H new ATOM 0 HA ASN A 46 -0.080 3.269 -30.225 1.00 62.01 H new ATOM 0 HB2 ASN A 46 2.343 3.256 -29.795 1.00 61.34 H new ATOM 0 HB3 ASN A 46 1.577 4.538 -28.878 1.00 61.34 H new ATOM 0 HD21 ASN A 46 3.195 3.482 -25.986 1.00 42.34 H new ATOM 0 HD22 ASN A 46 2.811 4.754 -27.150 1.00 42.34 H new ATOM 713 N GLN A 47 -0.608 0.647 -28.938 1.00 42.13 N ATOM 714 CA GLN A 47 -0.604 -0.806 -28.960 1.00 4.23 C ATOM 715 C GLN A 47 -1.968 -1.347 -28.528 1.00 50.01 C ATOM 716 O GLN A 47 -2.658 -0.727 -27.720 1.00 72.42 O ATOM 717 CB GLN A 47 0.513 -1.364 -28.075 1.00 15.05 C ATOM 718 CG GLN A 47 0.249 -2.828 -27.718 1.00 63.54 C ATOM 719 CD GLN A 47 1.465 -3.452 -27.030 1.00 30.32 C ATOM 720 OE1 GLN A 47 1.896 -4.549 -27.347 1.00 40.45 O ATOM 721 NE2 GLN A 47 1.992 -2.695 -26.072 1.00 11.02 N ATOM 0 H GLN A 47 -1.463 1.066 -28.572 1.00 42.13 H new ATOM 0 HA GLN A 47 -0.412 -1.134 -29.981 1.00 4.23 H new ATOM 0 HB2 GLN A 47 1.469 -1.279 -28.592 1.00 15.05 H new ATOM 0 HB3 GLN A 47 0.590 -0.772 -27.163 1.00 15.05 H new ATOM 0 HG2 GLN A 47 -0.619 -2.895 -27.062 1.00 63.54 H new ATOM 0 HG3 GLN A 47 0.010 -3.389 -28.621 1.00 63.54 H new ATOM 0 HE21 GLN A 47 1.582 -1.786 -25.857 1.00 11.02 H new ATOM 0 HE22 GLN A 47 2.806 -3.023 -25.553 1.00 11.02 H new ATOM 730 N VAL A 48 -2.316 -2.497 -29.086 1.00 32.21 N ATOM 731 CA VAL A 48 -3.586 -3.129 -28.769 1.00 2.22 C ATOM 732 C VAL A 48 -3.480 -3.823 -27.409 1.00 42.43 C ATOM 733 O VAL A 48 -3.003 -4.953 -27.321 1.00 2.12 O ATOM 734 CB VAL A 48 -3.993 -4.080 -29.896 1.00 22.44 C ATOM 735 CG1 VAL A 48 -2.833 -5.000 -30.283 1.00 4.42 C ATOM 736 CG2 VAL A 48 -5.230 -4.893 -29.507 1.00 41.43 C ATOM 0 H VAL A 48 -1.741 -3.008 -29.756 1.00 32.21 H new ATOM 0 HA VAL A 48 -4.376 -2.382 -28.692 1.00 2.22 H new ATOM 0 HB VAL A 48 -4.248 -3.477 -30.767 1.00 22.44 H new ATOM 0 HG11 VAL A 48 -3.149 -5.666 -31.086 1.00 4.42 H new ATOM 0 HG12 VAL A 48 -1.989 -4.399 -30.621 1.00 4.42 H new ATOM 0 HG13 VAL A 48 -2.534 -5.592 -29.418 1.00 4.42 H new ATOM 0 HG21 VAL A 48 -5.498 -5.561 -30.325 1.00 41.43 H new ATOM 0 HG22 VAL A 48 -5.013 -5.481 -28.615 1.00 41.43 H new ATOM 0 HG23 VAL A 48 -6.060 -4.217 -29.303 1.00 41.43 H new ATOM 746 N VAL A 49 -3.933 -3.117 -26.384 1.00 4.34 N ATOM 747 CA VAL A 49 -3.895 -3.651 -25.033 1.00 3.43 C ATOM 748 C VAL A 49 -5.121 -4.536 -24.804 1.00 72.34 C ATOM 749 O VAL A 49 -6.255 -4.075 -24.924 1.00 72.35 O ATOM 750 CB VAL A 49 -3.786 -2.508 -24.021 1.00 42.22 C ATOM 751 CG1 VAL A 49 -3.719 -3.046 -22.591 1.00 21.32 C ATOM 752 CG2 VAL A 49 -2.581 -1.617 -24.329 1.00 2.54 C ATOM 0 H VAL A 49 -4.328 -2.180 -26.461 1.00 4.34 H new ATOM 0 HA VAL A 49 -3.013 -4.276 -24.895 1.00 3.43 H new ATOM 0 HB VAL A 49 -4.685 -1.898 -24.107 1.00 42.22 H new ATOM 0 HG11 VAL A 49 -3.642 -2.213 -21.892 1.00 21.32 H new ATOM 0 HG12 VAL A 49 -4.621 -3.619 -22.375 1.00 21.32 H new ATOM 0 HG13 VAL A 49 -2.846 -3.690 -22.485 1.00 21.32 H new ATOM 0 HG21 VAL A 49 -2.526 -0.813 -23.595 1.00 2.54 H new ATOM 0 HG22 VAL A 49 -1.668 -2.211 -24.285 1.00 2.54 H new ATOM 0 HG23 VAL A 49 -2.689 -1.191 -25.327 1.00 2.54 H new ATOM 762 N PRO A 50 -4.845 -5.825 -24.471 1.00 32.53 N ATOM 763 CA PRO A 50 -5.913 -6.780 -24.225 1.00 3.25 C ATOM 764 C PRO A 50 -6.567 -6.531 -22.864 1.00 74.41 C ATOM 765 O PRO A 50 -5.885 -6.209 -21.893 1.00 33.14 O ATOM 766 CB PRO A 50 -5.251 -8.145 -24.325 1.00 53.41 C ATOM 767 CG PRO A 50 -3.760 -7.898 -24.162 1.00 72.21 C ATOM 768 CD PRO A 50 -3.514 -6.407 -24.319 1.00 54.45 C ATOM 0 HA PRO A 50 -6.728 -6.694 -24.943 1.00 3.25 H new ATOM 0 HB2 PRO A 50 -5.622 -8.817 -23.551 1.00 53.41 H new ATOM 0 HB3 PRO A 50 -5.467 -8.614 -25.285 1.00 53.41 H new ATOM 0 HG2 PRO A 50 -3.421 -8.240 -23.184 1.00 72.21 H new ATOM 0 HG3 PRO A 50 -3.197 -8.458 -24.908 1.00 72.21 H new ATOM 0 HD2 PRO A 50 -3.000 -5.997 -23.450 1.00 54.45 H new ATOM 0 HD3 PRO A 50 -2.889 -6.198 -25.187 1.00 54.45 H new ATOM 776 N MET A 51 -7.882 -6.691 -22.838 1.00 74.10 N ATOM 777 CA MET A 51 -8.637 -6.488 -21.613 1.00 22.42 C ATOM 778 C MET A 51 -7.978 -7.212 -20.437 1.00 25.01 C ATOM 779 O MET A 51 -7.826 -8.432 -20.461 1.00 21.44 O ATOM 780 CB MET A 51 -10.063 -7.010 -21.799 1.00 21.21 C ATOM 781 CG MET A 51 -10.912 -6.740 -20.555 1.00 71.41 C ATOM 782 SD MET A 51 -12.572 -7.348 -20.806 1.00 2.44 S ATOM 783 CE MET A 51 -12.221 -9.049 -21.218 1.00 2.54 C ATOM 0 H MET A 51 -8.444 -6.959 -23.646 1.00 74.10 H new ATOM 0 HA MET A 51 -8.657 -5.420 -21.394 1.00 22.42 H new ATOM 0 HB2 MET A 51 -10.519 -6.532 -22.666 1.00 21.21 H new ATOM 0 HB3 MET A 51 -10.039 -8.081 -22.002 1.00 21.21 H new ATOM 0 HG2 MET A 51 -10.465 -7.225 -19.687 1.00 71.41 H new ATOM 0 HG3 MET A 51 -10.935 -5.671 -20.345 1.00 71.41 H new ATOM 0 HE1 MET A 51 -13.057 -9.678 -20.912 1.00 2.54 H new ATOM 0 HE2 MET A 51 -12.074 -9.140 -22.294 1.00 2.54 H new ATOM 0 HE3 MET A 51 -11.317 -9.370 -20.700 1.00 2.54 H new ATOM 793 N GLY A 52 -7.603 -6.429 -19.436 1.00 53.41 N ATOM 794 CA GLY A 52 -6.964 -6.980 -18.253 1.00 42.53 C ATOM 795 C GLY A 52 -5.472 -6.641 -18.229 1.00 21.14 C ATOM 796 O GLY A 52 -4.797 -6.865 -17.225 1.00 33.42 O ATOM 0 H GLY A 52 -7.730 -5.417 -19.420 1.00 53.41 H new ATOM 0 HA2 GLY A 52 -7.445 -6.585 -17.358 1.00 42.53 H new ATOM 0 HA3 GLY A 52 -7.095 -8.062 -18.235 1.00 42.53 H new ATOM 800 N THR A 53 -5.000 -6.107 -19.346 1.00 14.45 N ATOM 801 CA THR A 53 -3.601 -5.735 -19.465 1.00 23.03 C ATOM 802 C THR A 53 -3.359 -4.359 -18.841 1.00 33.24 C ATOM 803 O THR A 53 -3.979 -3.375 -19.240 1.00 55.10 O ATOM 804 CB THR A 53 -3.217 -5.807 -20.944 1.00 23.21 C ATOM 805 OG1 THR A 53 -3.253 -7.200 -21.244 1.00 41.45 O ATOM 806 CG2 THR A 53 -1.760 -5.410 -21.191 1.00 22.53 C ATOM 0 H THR A 53 -5.562 -5.923 -20.177 1.00 14.45 H new ATOM 0 HA THR A 53 -2.961 -6.424 -18.914 1.00 23.03 H new ATOM 0 HB THR A 53 -3.873 -5.156 -21.522 1.00 23.21 H new ATOM 0 HG1 THR A 53 -4.155 -7.449 -21.535 1.00 41.45 H new ATOM 0 HG21 THR A 53 -1.540 -5.478 -22.256 1.00 22.53 H new ATOM 0 HG22 THR A 53 -1.599 -4.386 -20.852 1.00 22.53 H new ATOM 0 HG23 THR A 53 -1.101 -6.082 -20.641 1.00 22.53 H new ATOM 814 N THR A 54 -2.457 -4.335 -17.871 1.00 44.12 N ATOM 815 CA THR A 54 -2.125 -3.096 -17.188 1.00 14.01 C ATOM 816 C THR A 54 -1.754 -2.011 -18.201 1.00 34.12 C ATOM 817 O THR A 54 -1.074 -2.285 -19.188 1.00 5.01 O ATOM 818 CB THR A 54 -1.012 -3.394 -16.182 1.00 31.04 C ATOM 819 OG1 THR A 54 -1.448 -4.580 -15.522 1.00 54.44 O ATOM 820 CG2 THR A 54 -0.939 -2.352 -15.064 1.00 4.21 C ATOM 0 H THR A 54 -1.946 -5.154 -17.542 1.00 44.12 H new ATOM 0 HA THR A 54 -2.982 -2.705 -16.640 1.00 14.01 H new ATOM 0 HB THR A 54 -0.055 -3.437 -16.702 1.00 31.04 H new ATOM 0 HG1 THR A 54 -0.681 -5.021 -15.101 1.00 54.44 H new ATOM 0 HG21 THR A 54 -0.133 -2.611 -14.378 1.00 4.21 H new ATOM 0 HG22 THR A 54 -0.748 -1.369 -15.495 1.00 4.21 H new ATOM 0 HG23 THR A 54 -1.885 -2.333 -14.522 1.00 4.21 H new ATOM 828 N LEU A 55 -2.219 -0.802 -17.921 1.00 64.04 N ATOM 829 CA LEU A 55 -1.944 0.326 -18.796 1.00 32.41 C ATOM 830 C LEU A 55 -0.562 0.894 -18.469 1.00 41.21 C ATOM 831 O LEU A 55 -0.270 1.202 -17.314 1.00 75.14 O ATOM 832 CB LEU A 55 -3.070 1.358 -18.709 1.00 32.24 C ATOM 833 CG LEU A 55 -3.491 2.005 -20.030 1.00 4.13 C ATOM 834 CD1 LEU A 55 -2.350 1.962 -21.049 1.00 12.14 C ATOM 835 CD2 LEU A 55 -4.769 1.363 -20.573 1.00 22.05 C ATOM 0 H LEU A 55 -2.784 -0.579 -17.102 1.00 64.04 H new ATOM 0 HA LEU A 55 -1.918 0.004 -19.837 1.00 32.41 H new ATOM 0 HB2 LEU A 55 -3.943 0.877 -18.268 1.00 32.24 H new ATOM 0 HB3 LEU A 55 -2.761 2.147 -18.023 1.00 32.24 H new ATOM 0 HG LEU A 55 -3.714 3.055 -19.840 1.00 4.13 H new ATOM 0 HD11 LEU A 55 -2.675 2.428 -21.979 1.00 12.14 H new ATOM 0 HD12 LEU A 55 -1.489 2.502 -20.654 1.00 12.14 H new ATOM 0 HD13 LEU A 55 -2.072 0.926 -21.240 1.00 12.14 H new ATOM 0 HD21 LEU A 55 -5.046 1.842 -21.512 1.00 22.05 H new ATOM 0 HD22 LEU A 55 -4.598 0.300 -20.744 1.00 22.05 H new ATOM 0 HD23 LEU A 55 -5.575 1.489 -19.850 1.00 22.05 H new ATOM 847 N MET A 56 0.253 1.017 -19.507 1.00 32.43 N ATOM 848 CA MET A 56 1.597 1.543 -19.344 1.00 65.24 C ATOM 849 C MET A 56 1.707 2.956 -19.921 1.00 74.22 C ATOM 850 O MET A 56 0.913 3.344 -20.777 1.00 62.32 O ATOM 851 CB MET A 56 2.594 0.624 -20.053 1.00 25.41 C ATOM 852 CG MET A 56 2.795 -0.675 -19.269 1.00 71.34 C ATOM 853 SD MET A 56 4.053 -0.449 -18.023 1.00 55.42 S ATOM 854 CE MET A 56 3.036 -0.434 -16.556 1.00 51.50 C ATOM 0 H MET A 56 0.008 0.761 -20.464 1.00 32.43 H new ATOM 0 HA MET A 56 1.823 1.587 -18.279 1.00 65.24 H new ATOM 0 HB2 MET A 56 2.234 0.396 -21.056 1.00 25.41 H new ATOM 0 HB3 MET A 56 3.549 1.136 -20.166 1.00 25.41 H new ATOM 0 HG2 MET A 56 1.858 -0.975 -18.801 1.00 71.34 H new ATOM 0 HG3 MET A 56 3.084 -1.478 -19.947 1.00 71.34 H new ATOM 0 HE1 MET A 56 3.667 -0.551 -15.675 1.00 51.50 H new ATOM 0 HE2 MET A 56 2.499 0.513 -16.495 1.00 51.50 H new ATOM 0 HE3 MET A 56 2.320 -1.255 -16.601 1.00 51.50 H new ATOM 864 N PRO A 57 2.722 3.706 -19.416 1.00 23.10 N ATOM 865 CA PRO A 57 2.946 5.067 -19.872 1.00 15.43 C ATOM 866 C PRO A 57 3.581 5.083 -21.264 1.00 35.44 C ATOM 867 O PRO A 57 3.407 6.038 -22.019 1.00 1.14 O ATOM 868 CB PRO A 57 3.830 5.698 -18.808 1.00 52.14 C ATOM 869 CG PRO A 57 4.449 4.541 -18.041 1.00 14.22 C ATOM 870 CD PRO A 57 3.681 3.279 -18.401 1.00 45.53 C ATOM 0 HA PRO A 57 2.019 5.630 -19.986 1.00 15.43 H new ATOM 0 HB2 PRO A 57 4.600 6.323 -19.260 1.00 52.14 H new ATOM 0 HB3 PRO A 57 3.248 6.339 -18.146 1.00 52.14 H new ATOM 0 HG2 PRO A 57 5.503 4.433 -18.298 1.00 14.22 H new ATOM 0 HG3 PRO A 57 4.400 4.725 -16.968 1.00 14.22 H new ATOM 0 HD2 PRO A 57 4.347 2.506 -18.785 1.00 45.53 H new ATOM 0 HD3 PRO A 57 3.176 2.861 -17.530 1.00 45.53 H new ATOM 878 N ASP A 58 4.303 4.013 -21.561 1.00 71.52 N ATOM 879 CA ASP A 58 4.965 3.891 -22.849 1.00 75.31 C ATOM 880 C ASP A 58 4.065 3.108 -23.808 1.00 31.13 C ATOM 881 O ASP A 58 4.528 2.612 -24.834 1.00 31.03 O ATOM 882 CB ASP A 58 6.288 3.134 -22.719 1.00 40.40 C ATOM 883 CG ASP A 58 7.541 3.974 -22.975 1.00 52.54 C ATOM 884 OD1 ASP A 58 8.670 3.534 -22.714 1.00 71.52 O ATOM 885 OD2 ASP A 58 7.320 5.145 -23.472 1.00 23.43 O ATOM 0 H ASP A 58 4.444 3.222 -20.932 1.00 71.52 H new ATOM 0 HA ASP A 58 5.160 4.896 -23.224 1.00 75.31 H new ATOM 0 HB2 ASP A 58 6.351 2.712 -21.716 1.00 40.40 H new ATOM 0 HB3 ASP A 58 6.281 2.297 -23.417 1.00 40.40 H new ATOM 891 N MET A 59 2.795 3.021 -23.439 1.00 42.42 N ATOM 892 CA MET A 59 1.827 2.307 -24.254 1.00 14.44 C ATOM 893 C MET A 59 0.698 3.237 -24.704 1.00 72.22 C ATOM 894 O MET A 59 -0.289 2.785 -25.283 1.00 50.33 O ATOM 895 CB MET A 59 1.241 1.145 -23.449 1.00 13.40 C ATOM 896 CG MET A 59 2.098 -0.113 -23.599 1.00 45.21 C ATOM 897 SD MET A 59 1.091 -1.569 -23.376 1.00 55.11 S ATOM 898 CE MET A 59 0.131 -1.068 -21.957 1.00 3.43 C ATOM 0 H MET A 59 2.414 3.433 -22.587 1.00 42.42 H new ATOM 0 HA MET A 59 2.335 1.927 -25.140 1.00 14.44 H new ATOM 0 HB2 MET A 59 1.177 1.423 -22.397 1.00 13.40 H new ATOM 0 HB3 MET A 59 0.225 0.940 -23.787 1.00 13.40 H new ATOM 0 HG2 MET A 59 2.563 -0.130 -24.585 1.00 45.21 H new ATOM 0 HG3 MET A 59 2.904 -0.103 -22.866 1.00 45.21 H new ATOM 0 HE1 MET A 59 -0.650 -1.804 -21.768 1.00 3.43 H new ATOM 0 HE2 MET A 59 0.781 -0.997 -21.085 1.00 3.43 H new ATOM 0 HE3 MET A 59 -0.324 -0.097 -22.150 1.00 3.43 H new ATOM 908 N VAL A 60 0.881 4.518 -24.421 1.00 40.25 N ATOM 909 CA VAL A 60 -0.110 5.515 -24.790 1.00 44.15 C ATOM 910 C VAL A 60 0.576 6.651 -25.553 1.00 13.14 C ATOM 911 O VAL A 60 1.638 7.122 -25.149 1.00 12.13 O ATOM 912 CB VAL A 60 -0.857 5.996 -23.545 1.00 41.21 C ATOM 913 CG1 VAL A 60 -1.911 7.044 -23.909 1.00 3.13 C ATOM 914 CG2 VAL A 60 -1.488 4.821 -22.796 1.00 60.31 C ATOM 0 H VAL A 60 1.701 4.889 -23.940 1.00 40.25 H new ATOM 0 HA VAL A 60 -0.858 5.083 -25.454 1.00 44.15 H new ATOM 0 HB VAL A 60 -0.132 6.466 -22.880 1.00 41.21 H new ATOM 0 HG11 VAL A 60 -2.428 7.369 -23.006 1.00 3.13 H new ATOM 0 HG12 VAL A 60 -1.426 7.900 -24.378 1.00 3.13 H new ATOM 0 HG13 VAL A 60 -2.631 6.610 -24.603 1.00 3.13 H new ATOM 0 HG21 VAL A 60 -2.013 5.191 -21.915 1.00 60.31 H new ATOM 0 HG22 VAL A 60 -2.193 4.309 -23.450 1.00 60.31 H new ATOM 0 HG23 VAL A 60 -0.708 4.125 -22.488 1.00 60.31 H new ATOM 924 N LYS A 61 -0.060 7.058 -26.641 1.00 40.33 N ATOM 925 CA LYS A 61 0.475 8.130 -27.464 1.00 2.24 C ATOM 926 C LYS A 61 0.061 9.478 -26.870 1.00 23.05 C ATOM 927 O LYS A 61 -1.013 9.598 -26.283 1.00 52.20 O ATOM 928 CB LYS A 61 0.055 7.946 -28.923 1.00 41.43 C ATOM 929 CG LYS A 61 0.633 6.653 -29.501 1.00 74.23 C ATOM 930 CD LYS A 61 0.617 6.681 -31.031 1.00 73.30 C ATOM 931 CE LYS A 61 -0.365 5.648 -31.588 1.00 54.20 C ATOM 932 NZ LYS A 61 -0.926 6.109 -32.878 1.00 13.54 N ATOM 0 H LYS A 61 -0.941 6.665 -26.972 1.00 40.33 H new ATOM 0 HA LYS A 61 1.565 8.102 -27.464 1.00 2.24 H new ATOM 0 HB2 LYS A 61 -1.033 7.925 -28.992 1.00 41.43 H new ATOM 0 HB3 LYS A 61 0.396 8.797 -29.513 1.00 41.43 H new ATOM 0 HG2 LYS A 61 1.655 6.517 -29.147 1.00 74.23 H new ATOM 0 HG3 LYS A 61 0.056 5.801 -29.143 1.00 74.23 H new ATOM 0 HD2 LYS A 61 0.339 7.676 -31.377 1.00 73.30 H new ATOM 0 HD3 LYS A 61 1.618 6.479 -31.412 1.00 73.30 H new ATOM 0 HE2 LYS A 61 0.142 4.693 -31.726 1.00 54.20 H new ATOM 0 HE3 LYS A 61 -1.171 5.481 -30.873 1.00 54.20 H new ATOM 0 HZ1 LYS A 61 -1.887 6.478 -32.727 1.00 13.54 H new ATOM 0 HZ2 LYS A 61 -0.324 6.861 -33.269 1.00 13.54 H new ATOM 0 HZ3 LYS A 61 -0.962 5.312 -33.545 1.00 13.54 H new ATOM 945 N GLY A 62 0.936 10.458 -27.042 1.00 51.20 N ATOM 946 CA GLY A 62 0.675 11.793 -26.530 1.00 72.23 C ATOM 947 C GLY A 62 0.452 11.766 -25.017 1.00 35.22 C ATOM 948 O GLY A 62 -0.056 12.728 -24.443 1.00 54.24 O ATOM 0 H GLY A 62 1.826 10.354 -27.529 1.00 51.20 H new ATOM 0 HA2 GLY A 62 1.514 12.447 -26.766 1.00 72.23 H new ATOM 0 HA3 GLY A 62 -0.203 12.210 -27.023 1.00 72.23 H new ATOM 952 N TYR A 63 0.842 10.653 -24.413 1.00 50.00 N ATOM 953 CA TYR A 63 0.691 10.488 -22.977 1.00 72.03 C ATOM 954 C TYR A 63 1.837 11.166 -22.224 1.00 22.52 C ATOM 955 O TYR A 63 2.791 11.643 -22.836 1.00 61.34 O ATOM 956 CB TYR A 63 0.746 8.981 -22.718 1.00 1.21 C ATOM 957 CG TYR A 63 0.996 8.610 -21.255 1.00 14.42 C ATOM 958 CD1 TYR A 63 2.287 8.532 -20.773 1.00 55.41 C ATOM 959 CD2 TYR A 63 -0.070 8.354 -20.416 1.00 74.14 C ATOM 960 CE1 TYR A 63 2.521 8.183 -19.396 1.00 4.41 C ATOM 961 CE2 TYR A 63 0.164 8.005 -19.039 1.00 64.12 C ATOM 962 CZ TYR A 63 1.449 7.937 -18.597 1.00 33.21 C ATOM 963 OH TYR A 63 1.670 7.607 -17.296 1.00 45.23 O ATOM 0 H TYR A 63 1.262 9.857 -24.892 1.00 50.00 H new ATOM 0 HA TYR A 63 -0.241 10.937 -22.635 1.00 72.03 H new ATOM 0 HB2 TYR A 63 -0.194 8.533 -23.040 1.00 1.21 H new ATOM 0 HB3 TYR A 63 1.534 8.546 -23.332 1.00 1.21 H new ATOM 0 HD1 TYR A 63 3.121 8.733 -21.429 1.00 55.41 H new ATOM 0 HD2 TYR A 63 -1.080 8.416 -20.793 1.00 74.14 H new ATOM 0 HE1 TYR A 63 3.526 8.118 -19.006 1.00 4.41 H new ATOM 0 HE2 TYR A 63 -0.661 7.802 -18.372 1.00 64.12 H new ATOM 0 HH TYR A 63 0.970 8.001 -16.735 1.00 45.23 H new ATOM 973 N ALA A 64 1.706 11.186 -20.906 1.00 11.14 N ATOM 974 CA ALA A 64 2.719 11.797 -20.062 1.00 11.20 C ATOM 975 C ALA A 64 2.211 11.851 -18.620 1.00 13.41 C ATOM 976 O ALA A 64 1.006 11.937 -18.385 1.00 64.01 O ATOM 977 CB ALA A 64 3.071 13.182 -20.609 1.00 11.35 C ATOM 0 H ALA A 64 0.913 10.789 -20.401 1.00 11.14 H new ATOM 0 HA ALA A 64 3.633 11.203 -20.067 1.00 11.20 H new ATOM 0 HB1 ALA A 64 3.831 13.641 -19.976 1.00 11.35 H new ATOM 0 HB2 ALA A 64 3.455 13.085 -21.625 1.00 11.35 H new ATOM 0 HB3 ALA A 64 2.179 13.808 -20.616 1.00 11.35 H new ATOM 983 N PRO A 65 3.179 11.798 -17.667 1.00 23.13 N ATOM 984 CA PRO A 65 2.842 11.840 -16.254 1.00 63.10 C ATOM 985 C PRO A 65 2.451 13.255 -15.826 1.00 15.54 C ATOM 986 O PRO A 65 2.655 14.212 -16.571 1.00 2.42 O ATOM 987 CB PRO A 65 4.080 11.324 -15.539 1.00 22.03 C ATOM 988 CG PRO A 65 5.221 11.452 -16.535 1.00 70.42 C ATOM 989 CD PRO A 65 4.616 11.696 -17.908 1.00 13.32 C ATOM 0 HA PRO A 65 1.973 11.228 -16.010 1.00 63.10 H new ATOM 0 HB2 PRO A 65 4.281 11.904 -14.638 1.00 22.03 H new ATOM 0 HB3 PRO A 65 3.948 10.288 -15.228 1.00 22.03 H new ATOM 0 HG2 PRO A 65 5.880 12.274 -16.257 1.00 70.42 H new ATOM 0 HG3 PRO A 65 5.827 10.546 -16.540 1.00 70.42 H new ATOM 0 HD2 PRO A 65 5.008 12.609 -18.357 1.00 13.32 H new ATOM 0 HD3 PRO A 65 4.846 10.880 -18.593 1.00 13.32 H new ATOM 997 N ALA A 66 1.894 13.344 -14.626 1.00 63.23 N ATOM 998 CA ALA A 66 1.472 14.626 -14.090 1.00 2.43 C ATOM 999 C ALA A 66 1.831 14.696 -12.604 1.00 32.30 C ATOM 1000 O ALA A 66 2.146 13.678 -11.990 1.00 21.33 O ATOM 1001 CB ALA A 66 -0.026 14.816 -14.337 1.00 62.44 C ATOM 0 H ALA A 66 1.726 12.548 -14.010 1.00 63.23 H new ATOM 0 HA ALA A 66 1.991 15.441 -14.594 1.00 2.43 H new ATOM 0 HB1 ALA A 66 -0.342 15.778 -13.934 1.00 62.44 H new ATOM 0 HB2 ALA A 66 -0.225 14.788 -15.408 1.00 62.44 H new ATOM 0 HB3 ALA A 66 -0.580 14.017 -13.844 1.00 62.44 H new TER 1007 ALA A 66