USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 525 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= -1.37 USER MOD Set 1.2: A 21 MET CE :methyl -118:sc= -1.71 (180deg=-1.89!) USER MOD Set 2.1: A 0 MET N :NH3+ -136:sc= 0.293 (180deg=0) USER MOD Set 2.2: A 1 ASN : amide:sc= 0.00102 K(o=0.29,f=-1.2!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot -90:sc= -0.236 USER MOD Single : A 9 GLN : amide:sc= -0.0571 X(o=-0.057,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.448 K(o=-0.45,f=-1.6!) USER MOD Single : A 15 THR OG1 : rot 81:sc= -1.62! USER MOD Single : A 22 MET CE :methyl -157:sc= -2.44 (180deg=-3.06!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 24 THR OG1 : rot 76:sc= 0.891 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -139:sc= -5.78! (180deg=-12.2!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -7.82! C(o=-7.8!,f=-7.9!) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.727 F(o=-2,f=-0.73) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 92:sc= 1.15 USER MOD Single : A 54 THR OG1 : rot 149:sc= -5.82! USER MOD Single : A 56 MET CE :methyl -157:sc= -4.2! (180deg=-5.51!) USER MOD Single : A 59 MET CE :methyl -133:sc= -5.86! (180deg=-6.86!) USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= -3.26 (180deg=-5.05!) USER MOD Single : A 63 TYR OH : rot -29:sc= 0.713 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 2.860 0.129 -0.438 1.00 1.11 N ATOM 2 CA MET A 0 3.050 -0.403 -1.777 1.00 11.42 C ATOM 3 C MET A 0 1.815 -1.179 -2.239 1.00 10.23 C ATOM 4 O MET A 0 1.853 -2.403 -2.351 1.00 60.10 O ATOM 5 CB MET A 0 4.269 -1.327 -1.791 1.00 50.11 C ATOM 6 CG MET A 0 4.903 -1.377 -3.183 1.00 34.21 C ATOM 7 SD MET A 0 6.197 -0.154 -3.309 1.00 73.41 S ATOM 8 CE MET A 0 5.612 0.772 -4.718 1.00 54.01 C ATOM 0 H1 MET A 0 3.199 1.111 -0.403 1.00 1.11 H new ATOM 0 H2 MET A 0 1.849 0.103 -0.194 1.00 1.11 H new ATOM 0 H3 MET A 0 3.395 -0.446 0.243 1.00 1.11 H new ATOM 0 HA MET A 0 3.208 0.431 -2.460 1.00 11.42 H new ATOM 0 HB2 MET A 0 5.003 -0.977 -1.065 1.00 50.11 H new ATOM 0 HB3 MET A 0 3.973 -2.331 -1.486 1.00 50.11 H new ATOM 0 HG2 MET A 0 5.311 -2.370 -3.370 1.00 34.21 H new ATOM 0 HG3 MET A 0 4.144 -1.195 -3.944 1.00 34.21 H new ATOM 0 HE1 MET A 0 6.308 1.582 -4.936 1.00 54.01 H new ATOM 0 HE2 MET A 0 5.540 0.112 -5.583 1.00 54.01 H new ATOM 0 HE3 MET A 0 4.629 1.188 -4.497 1.00 54.01 H new ATOM 18 N ASN A 1 0.749 -0.435 -2.494 1.00 40.42 N ATOM 19 CA ASN A 1 -0.495 -1.038 -2.941 1.00 50.44 C ATOM 20 C ASN A 1 -1.057 -0.229 -4.113 1.00 4.04 C ATOM 21 O ASN A 1 -1.164 0.994 -4.032 1.00 71.34 O ATOM 22 CB ASN A 1 -1.540 -1.039 -1.824 1.00 3.44 C ATOM 23 CG ASN A 1 -1.205 0.008 -0.759 1.00 64.01 C ATOM 24 OD1 ASN A 1 -0.241 -0.108 -0.019 1.00 53.43 O ATOM 25 ND2 ASN A 1 -2.051 1.033 -0.723 1.00 51.10 N ATOM 0 H ASN A 1 0.721 0.580 -2.400 1.00 40.42 H new ATOM 0 HA ASN A 1 -0.284 -2.065 -3.238 1.00 50.44 H new ATOM 0 HB2 ASN A 1 -2.525 -0.835 -2.243 1.00 3.44 H new ATOM 0 HB3 ASN A 1 -1.587 -2.027 -1.366 1.00 3.44 H new ATOM 0 HD21 ASN A 1 -1.913 1.784 -0.047 1.00 51.10 H new ATOM 0 HD22 ASN A 1 -2.838 1.068 -1.371 1.00 51.10 H new ATOM 32 N GLN A 2 -1.400 -0.945 -5.173 1.00 41.55 N ATOM 33 CA GLN A 2 -1.948 -0.309 -6.360 1.00 3.33 C ATOM 34 C GLN A 2 -3.446 -0.596 -6.472 1.00 14.34 C ATOM 35 O GLN A 2 -3.845 -1.698 -6.845 1.00 43.24 O ATOM 36 CB GLN A 2 -1.207 -0.765 -7.618 1.00 43.10 C ATOM 37 CG GLN A 2 -1.837 -0.162 -8.875 1.00 13.32 C ATOM 38 CD GLN A 2 -1.284 1.238 -9.148 1.00 44.22 C ATOM 39 OE1 GLN A 2 -0.136 1.418 -9.521 1.00 1.00 O ATOM 40 NE2 GLN A 2 -2.161 2.217 -8.943 1.00 22.42 N ATOM 0 H GLN A 2 -1.309 -1.959 -5.235 1.00 41.55 H new ATOM 0 HA GLN A 2 -1.810 0.768 -6.268 1.00 3.33 H new ATOM 0 HB2 GLN A 2 -0.160 -0.470 -7.554 1.00 43.10 H new ATOM 0 HB3 GLN A 2 -1.228 -1.853 -7.682 1.00 43.10 H new ATOM 0 HG2 GLN A 2 -1.640 -0.808 -9.731 1.00 13.32 H new ATOM 0 HG3 GLN A 2 -2.919 -0.112 -8.756 1.00 13.32 H new ATOM 0 HE21 GLN A 2 -3.107 1.997 -8.631 1.00 22.42 H new ATOM 0 HE22 GLN A 2 -1.888 3.187 -9.098 1.00 22.42 H new ATOM 49 N GLU A 3 -4.236 0.415 -6.141 1.00 13.22 N ATOM 50 CA GLU A 3 -5.682 0.285 -6.199 1.00 54.35 C ATOM 51 C GLU A 3 -6.197 0.701 -7.579 1.00 51.00 C ATOM 52 O GLU A 3 -6.092 1.866 -7.959 1.00 54.13 O ATOM 53 CB GLU A 3 -6.352 1.105 -5.095 1.00 22.14 C ATOM 54 CG GLU A 3 -6.761 0.212 -3.921 1.00 53.43 C ATOM 55 CD GLU A 3 -7.895 0.851 -3.116 1.00 70.13 C ATOM 56 OE1 GLU A 3 -8.918 0.198 -2.862 1.00 13.52 O ATOM 57 OE2 GLU A 3 -7.685 2.070 -2.751 1.00 24.15 O ATOM 0 H GLU A 3 -3.902 1.328 -5.832 1.00 13.22 H new ATOM 0 HA GLU A 3 -5.939 -0.762 -6.036 1.00 54.35 H new ATOM 0 HB2 GLU A 3 -5.669 1.880 -4.747 1.00 22.14 H new ATOM 0 HB3 GLU A 3 -7.231 1.611 -5.495 1.00 22.14 H new ATOM 0 HG2 GLU A 3 -7.078 -0.762 -4.293 1.00 53.43 H new ATOM 0 HG3 GLU A 3 -5.902 0.041 -3.273 1.00 53.43 H new ATOM 65 N SER A 4 -6.742 -0.275 -8.291 1.00 11.53 N ATOM 66 CA SER A 4 -7.273 -0.024 -9.620 1.00 34.51 C ATOM 67 C SER A 4 -8.799 0.081 -9.562 1.00 43.43 C ATOM 68 O SER A 4 -9.434 -0.517 -8.696 1.00 22.15 O ATOM 69 CB SER A 4 -6.854 -1.125 -10.597 1.00 12.14 C ATOM 70 OG SER A 4 -5.447 -1.351 -10.574 1.00 53.14 O ATOM 0 H SER A 4 -6.827 -1.240 -7.973 1.00 11.53 H new ATOM 0 HA SER A 4 -6.863 0.920 -9.980 1.00 34.51 H new ATOM 0 HB2 SER A 4 -7.374 -2.050 -10.346 1.00 12.14 H new ATOM 0 HB3 SER A 4 -7.161 -0.850 -11.606 1.00 12.14 H new ATOM 0 HG SER A 4 -5.012 -0.772 -11.234 1.00 53.14 H new ATOM 76 N VAL A 5 -9.342 0.847 -10.497 1.00 14.22 N ATOM 77 CA VAL A 5 -10.781 1.039 -10.563 1.00 51.34 C ATOM 78 C VAL A 5 -11.463 -0.315 -10.764 1.00 73.42 C ATOM 79 O VAL A 5 -10.945 -1.176 -11.473 1.00 61.53 O ATOM 80 CB VAL A 5 -11.124 2.050 -11.660 1.00 70.30 C ATOM 81 CG1 VAL A 5 -12.639 2.190 -11.822 1.00 61.22 C ATOM 82 CG2 VAL A 5 -10.475 3.406 -11.378 1.00 42.12 C ATOM 0 H VAL A 5 -8.812 1.342 -11.214 1.00 14.22 H new ATOM 0 HA VAL A 5 -11.154 1.455 -9.627 1.00 51.34 H new ATOM 0 HB VAL A 5 -10.720 1.675 -12.600 1.00 70.30 H new ATOM 0 HG11 VAL A 5 -12.856 2.914 -12.607 1.00 61.22 H new ATOM 0 HG12 VAL A 5 -13.067 1.224 -12.091 1.00 61.22 H new ATOM 0 HG13 VAL A 5 -13.075 2.532 -10.883 1.00 61.22 H new ATOM 0 HG21 VAL A 5 -10.735 4.106 -12.172 1.00 42.12 H new ATOM 0 HG22 VAL A 5 -10.835 3.790 -10.424 1.00 42.12 H new ATOM 0 HG23 VAL A 5 -9.392 3.289 -11.337 1.00 42.12 H new ATOM 92 N VAL A 6 -12.616 -0.462 -10.127 1.00 43.11 N ATOM 93 CA VAL A 6 -13.374 -1.697 -10.227 1.00 33.22 C ATOM 94 C VAL A 6 -14.863 -1.368 -10.356 1.00 2.54 C ATOM 95 O VAL A 6 -15.421 -0.662 -9.517 1.00 20.24 O ATOM 96 CB VAL A 6 -13.063 -2.600 -9.031 1.00 73.24 C ATOM 97 CG1 VAL A 6 -13.810 -3.931 -9.141 1.00 22.11 C ATOM 98 CG2 VAL A 6 -11.556 -2.826 -8.893 1.00 35.34 C ATOM 0 H VAL A 6 -13.043 0.254 -9.540 1.00 43.11 H new ATOM 0 HA VAL A 6 -13.085 -2.251 -11.120 1.00 33.22 H new ATOM 0 HB VAL A 6 -13.410 -2.095 -8.129 1.00 73.24 H new ATOM 0 HG11 VAL A 6 -13.572 -4.554 -8.279 1.00 22.11 H new ATOM 0 HG12 VAL A 6 -14.884 -3.745 -9.168 1.00 22.11 H new ATOM 0 HG13 VAL A 6 -13.507 -4.444 -10.054 1.00 22.11 H new ATOM 0 HG21 VAL A 6 -11.362 -3.471 -8.036 1.00 35.34 H new ATOM 0 HG22 VAL A 6 -11.175 -3.300 -9.797 1.00 35.34 H new ATOM 0 HG23 VAL A 6 -11.056 -1.868 -8.747 1.00 35.34 H new ATOM 108 N ALA A 7 -15.463 -1.894 -11.413 1.00 53.40 N ATOM 109 CA ALA A 7 -16.876 -1.664 -11.663 1.00 32.14 C ATOM 110 C ALA A 7 -17.675 -2.009 -10.404 1.00 24.21 C ATOM 111 O ALA A 7 -17.900 -3.182 -10.109 1.00 64.13 O ATOM 112 CB ALA A 7 -17.320 -2.482 -12.877 1.00 22.20 C ATOM 0 H ALA A 7 -14.997 -2.479 -12.107 1.00 53.40 H new ATOM 0 HA ALA A 7 -17.059 -0.614 -11.893 1.00 32.14 H new ATOM 0 HB1 ALA A 7 -18.380 -2.309 -13.064 1.00 22.20 H new ATOM 0 HB2 ALA A 7 -16.743 -2.179 -13.751 1.00 22.20 H new ATOM 0 HB3 ALA A 7 -17.154 -3.542 -12.682 1.00 22.20 H new ATOM 118 N ALA A 8 -18.081 -0.966 -9.695 1.00 70.21 N ATOM 119 CA ALA A 8 -18.850 -1.144 -8.475 1.00 24.32 C ATOM 120 C ALA A 8 -20.183 -1.816 -8.810 1.00 43.13 C ATOM 121 O ALA A 8 -20.739 -2.543 -7.989 1.00 74.33 O ATOM 122 CB ALA A 8 -19.036 0.209 -7.786 1.00 44.45 C ATOM 0 H ALA A 8 -17.892 0.005 -9.942 1.00 70.21 H new ATOM 0 HA ALA A 8 -18.319 -1.794 -7.779 1.00 24.32 H new ATOM 0 HB1 ALA A 8 -19.613 0.075 -6.871 1.00 44.45 H new ATOM 0 HB2 ALA A 8 -18.061 0.630 -7.542 1.00 44.45 H new ATOM 0 HB3 ALA A 8 -19.567 0.887 -8.454 1.00 44.45 H new ATOM 128 N GLN A 9 -20.656 -1.548 -10.018 1.00 72.14 N ATOM 129 CA GLN A 9 -21.914 -2.117 -10.473 1.00 25.54 C ATOM 130 C GLN A 9 -21.836 -2.455 -11.963 1.00 2.01 C ATOM 131 O GLN A 9 -20.812 -2.221 -12.603 1.00 60.23 O ATOM 132 CB GLN A 9 -23.080 -1.170 -10.185 1.00 70.21 C ATOM 133 CG GLN A 9 -22.783 -0.287 -8.972 1.00 3.41 C ATOM 134 CD GLN A 9 -24.070 0.314 -8.402 1.00 64.42 C ATOM 135 OE1 GLN A 9 -24.434 0.094 -7.259 1.00 35.01 O ATOM 136 NE2 GLN A 9 -24.735 1.082 -9.261 1.00 25.44 N ATOM 0 H GLN A 9 -20.191 -0.944 -10.696 1.00 72.14 H new ATOM 0 HA GLN A 9 -22.094 -3.039 -9.921 1.00 25.54 H new ATOM 0 HB2 GLN A 9 -23.269 -0.544 -11.057 1.00 70.21 H new ATOM 0 HB3 GLN A 9 -23.987 -1.748 -10.005 1.00 70.21 H new ATOM 0 HG2 GLN A 9 -22.281 -0.875 -8.204 1.00 3.41 H new ATOM 0 HG3 GLN A 9 -22.100 0.513 -9.258 1.00 3.41 H new ATOM 0 HE21 GLN A 9 -24.373 1.224 -10.204 1.00 25.44 H new ATOM 0 HE22 GLN A 9 -25.607 1.529 -8.977 1.00 25.44 H new ATOM 145 N LEU A 10 -22.931 -2.999 -12.472 1.00 33.33 N ATOM 146 CA LEU A 10 -23.000 -3.371 -13.875 1.00 31.23 C ATOM 147 C LEU A 10 -22.847 -2.118 -14.738 1.00 53.53 C ATOM 148 O LEU A 10 -23.638 -1.182 -14.627 1.00 35.34 O ATOM 149 CB LEU A 10 -24.280 -4.161 -14.158 1.00 3.34 C ATOM 150 CG LEU A 10 -24.625 -4.372 -15.633 1.00 61.41 C ATOM 151 CD1 LEU A 10 -23.860 -5.566 -16.209 1.00 50.53 C ATOM 152 CD2 LEU A 10 -26.136 -4.512 -15.828 1.00 40.12 C ATOM 0 H LEU A 10 -23.778 -3.191 -11.938 1.00 33.33 H new ATOM 0 HA LEU A 10 -22.178 -4.039 -14.133 1.00 31.23 H new ATOM 0 HB2 LEU A 10 -24.193 -5.138 -13.682 1.00 3.34 H new ATOM 0 HB3 LEU A 10 -25.114 -3.647 -13.680 1.00 3.34 H new ATOM 0 HG LEU A 10 -24.309 -3.488 -16.188 1.00 61.41 H new ATOM 0 HD11 LEU A 10 -24.123 -5.695 -17.259 1.00 50.53 H new ATOM 0 HD12 LEU A 10 -22.788 -5.387 -16.123 1.00 50.53 H new ATOM 0 HD13 LEU A 10 -24.123 -6.468 -15.656 1.00 50.53 H new ATOM 0 HD21 LEU A 10 -26.354 -4.661 -16.886 1.00 40.12 H new ATOM 0 HD22 LEU A 10 -26.499 -5.368 -15.259 1.00 40.12 H new ATOM 0 HD23 LEU A 10 -26.633 -3.607 -15.479 1.00 40.12 H new ATOM 164 N ILE A 11 -21.824 -2.139 -15.580 1.00 54.30 N ATOM 165 CA ILE A 11 -21.558 -1.015 -16.462 1.00 62.32 C ATOM 166 C ILE A 11 -21.728 -1.462 -17.916 1.00 22.24 C ATOM 167 O ILE A 11 -20.854 -2.127 -18.471 1.00 14.14 O ATOM 168 CB ILE A 11 -20.184 -0.412 -16.161 1.00 55.31 C ATOM 169 CG1 ILE A 11 -19.852 -0.522 -14.672 1.00 24.42 C ATOM 170 CG2 ILE A 11 -20.098 1.031 -16.662 1.00 51.40 C ATOM 171 CD1 ILE A 11 -18.603 0.292 -14.327 1.00 51.00 C ATOM 0 H ILE A 11 -21.170 -2.916 -15.670 1.00 54.30 H new ATOM 0 HA ILE A 11 -22.277 -0.215 -16.288 1.00 62.32 H new ATOM 0 HB ILE A 11 -19.432 -0.987 -16.702 1.00 55.31 H new ATOM 0 HG12 ILE A 11 -20.696 -0.168 -14.080 1.00 24.42 H new ATOM 0 HG13 ILE A 11 -19.694 -1.567 -14.407 1.00 24.42 H new ATOM 0 HG21 ILE A 11 -19.112 1.437 -16.436 1.00 51.40 H new ATOM 0 HG22 ILE A 11 -20.261 1.052 -17.740 1.00 51.40 H new ATOM 0 HG23 ILE A 11 -20.860 1.634 -16.168 1.00 51.40 H new ATOM 0 HD11 ILE A 11 -18.389 0.197 -13.262 1.00 51.00 H new ATOM 0 HD12 ILE A 11 -17.755 -0.081 -14.902 1.00 51.00 H new ATOM 0 HD13 ILE A 11 -18.774 1.341 -14.570 1.00 51.00 H new ATOM 183 N PRO A 12 -22.888 -1.069 -18.506 1.00 13.02 N ATOM 184 CA PRO A 12 -23.184 -1.422 -19.884 1.00 11.22 C ATOM 185 C PRO A 12 -22.362 -0.573 -20.856 1.00 22.22 C ATOM 186 O PRO A 12 -21.849 0.481 -20.484 1.00 41.11 O ATOM 187 CB PRO A 12 -24.682 -1.210 -20.031 1.00 70.33 C ATOM 188 CG PRO A 12 -25.091 -0.309 -18.878 1.00 33.14 C ATOM 189 CD PRO A 12 -23.946 -0.281 -17.879 1.00 44.11 C ATOM 0 HA PRO A 12 -22.915 -2.451 -20.122 1.00 11.22 H new ATOM 0 HB2 PRO A 12 -24.919 -0.749 -20.990 1.00 70.33 H new ATOM 0 HB3 PRO A 12 -25.216 -2.159 -19.993 1.00 70.33 H new ATOM 0 HG2 PRO A 12 -25.308 0.697 -19.238 1.00 33.14 H new ATOM 0 HG3 PRO A 12 -26.000 -0.682 -18.406 1.00 33.14 H new ATOM 0 HD2 PRO A 12 -23.617 0.739 -17.683 1.00 44.11 H new ATOM 0 HD3 PRO A 12 -24.245 -0.709 -16.922 1.00 44.11 H new ATOM 197 N ILE A 13 -22.262 -1.065 -22.082 1.00 50.10 N ATOM 198 CA ILE A 13 -21.511 -0.365 -23.110 1.00 40.13 C ATOM 199 C ILE A 13 -22.175 0.984 -23.391 1.00 53.35 C ATOM 200 O ILE A 13 -23.398 1.068 -23.496 1.00 40.50 O ATOM 201 CB ILE A 13 -21.355 -1.244 -24.352 1.00 72.54 C ATOM 202 CG1 ILE A 13 -20.481 -0.558 -25.404 1.00 23.41 C ATOM 203 CG2 ILE A 13 -22.720 -1.645 -24.915 1.00 73.32 C ATOM 204 CD1 ILE A 13 -19.708 -1.588 -26.231 1.00 11.10 C ATOM 0 H ILE A 13 -22.689 -1.940 -22.387 1.00 50.10 H new ATOM 0 HA ILE A 13 -20.498 -0.157 -22.766 1.00 40.13 H new ATOM 0 HB ILE A 13 -20.845 -2.162 -24.058 1.00 72.54 H new ATOM 0 HG12 ILE A 13 -21.105 0.047 -26.062 1.00 23.41 H new ATOM 0 HG13 ILE A 13 -19.782 0.120 -24.915 1.00 23.41 H new ATOM 0 HG21 ILE A 13 -22.580 -2.269 -25.797 1.00 73.32 H new ATOM 0 HG22 ILE A 13 -23.275 -2.202 -24.160 1.00 73.32 H new ATOM 0 HG23 ILE A 13 -23.278 -0.750 -25.189 1.00 73.32 H new ATOM 0 HD11 ILE A 13 -19.095 -1.074 -26.971 1.00 11.10 H new ATOM 0 HD12 ILE A 13 -19.067 -2.175 -25.574 1.00 11.10 H new ATOM 0 HD13 ILE A 13 -20.411 -2.249 -26.738 1.00 11.10 H new ATOM 216 N ASN A 14 -21.340 2.007 -23.506 1.00 72.50 N ATOM 217 CA ASN A 14 -21.831 3.348 -23.773 1.00 73.21 C ATOM 218 C ASN A 14 -22.623 3.847 -22.563 1.00 31.22 C ATOM 219 O ASN A 14 -23.690 4.439 -22.716 1.00 33.11 O ATOM 220 CB ASN A 14 -22.763 3.362 -24.986 1.00 73.42 C ATOM 221 CG ASN A 14 -22.118 2.657 -26.182 1.00 12.45 C ATOM 222 OD1 ASN A 14 -20.993 2.933 -26.564 1.00 23.31 O ATOM 223 ND2 ASN A 14 -22.891 1.736 -26.748 1.00 75.34 N ATOM 0 H ASN A 14 -20.326 1.934 -23.419 1.00 72.50 H new ATOM 0 HA ASN A 14 -20.971 3.988 -23.971 1.00 73.21 H new ATOM 0 HB2 ASN A 14 -23.702 2.870 -24.733 1.00 73.42 H new ATOM 0 HB3 ASN A 14 -23.003 4.391 -25.252 1.00 73.42 H new ATOM 0 HD21 ASN A 14 -22.552 1.210 -27.553 1.00 75.34 H new ATOM 0 HD22 ASN A 14 -23.824 1.555 -26.377 1.00 75.34 H new ATOM 230 N THR A 15 -22.070 3.589 -21.387 1.00 2.22 N ATOM 231 CA THR A 15 -22.711 4.005 -20.151 1.00 30.21 C ATOM 232 C THR A 15 -21.827 5.003 -19.401 1.00 1.00 C ATOM 233 O THR A 15 -20.726 4.662 -18.971 1.00 33.24 O ATOM 234 CB THR A 15 -23.032 2.748 -19.339 1.00 53.33 C ATOM 235 OG1 THR A 15 -23.813 1.952 -20.227 1.00 24.14 O ATOM 236 CG2 THR A 15 -23.974 3.033 -18.168 1.00 35.12 C ATOM 0 H THR A 15 -21.185 3.097 -21.264 1.00 2.22 H new ATOM 0 HA THR A 15 -23.645 4.531 -20.348 1.00 30.21 H new ATOM 0 HB THR A 15 -22.107 2.312 -18.963 1.00 53.33 H new ATOM 0 HG1 THR A 15 -23.221 1.482 -20.851 1.00 24.14 H new ATOM 0 HG21 THR A 15 -24.170 2.108 -17.625 1.00 35.12 H new ATOM 0 HG22 THR A 15 -23.512 3.757 -17.497 1.00 35.12 H new ATOM 0 HG23 THR A 15 -24.913 3.437 -18.546 1.00 35.12 H new ATOM 244 N ALA A 16 -22.342 6.217 -19.267 1.00 64.53 N ATOM 245 CA ALA A 16 -21.613 7.267 -18.577 1.00 23.22 C ATOM 246 C ALA A 16 -21.209 6.772 -17.186 1.00 41.04 C ATOM 247 O ALA A 16 -22.059 6.594 -16.316 1.00 14.23 O ATOM 248 CB ALA A 16 -22.472 8.531 -18.519 1.00 2.51 C ATOM 0 H ALA A 16 -23.255 6.496 -19.625 1.00 64.53 H new ATOM 0 HA ALA A 16 -20.699 7.518 -19.116 1.00 23.22 H new ATOM 0 HB1 ALA A 16 -21.925 9.319 -18.001 1.00 2.51 H new ATOM 0 HB2 ALA A 16 -22.707 8.858 -19.532 1.00 2.51 H new ATOM 0 HB3 ALA A 16 -23.397 8.318 -17.982 1.00 2.51 H new ATOM 254 N LEU A 17 -19.911 6.564 -17.021 1.00 60.33 N ATOM 255 CA LEU A 17 -19.384 6.093 -15.752 1.00 31.14 C ATOM 256 C LEU A 17 -19.748 7.092 -14.651 1.00 74.24 C ATOM 257 O LEU A 17 -19.861 8.290 -14.908 1.00 23.41 O ATOM 258 CB LEU A 17 -17.883 5.821 -15.862 1.00 64.45 C ATOM 259 CG LEU A 17 -17.476 4.665 -16.779 1.00 35.41 C ATOM 260 CD1 LEU A 17 -15.965 4.657 -17.015 1.00 40.42 C ATOM 261 CD2 LEU A 17 -17.977 3.327 -16.229 1.00 51.33 C ATOM 0 H LEU A 17 -19.209 6.713 -17.745 1.00 60.33 H new ATOM 0 HA LEU A 17 -19.838 5.140 -15.482 1.00 31.14 H new ATOM 0 HB2 LEU A 17 -17.394 6.729 -16.216 1.00 64.45 H new ATOM 0 HB3 LEU A 17 -17.496 5.620 -14.863 1.00 64.45 H new ATOM 0 HG LEU A 17 -17.952 4.814 -17.748 1.00 35.41 H new ATOM 0 HD11 LEU A 17 -15.703 3.826 -17.670 1.00 40.42 H new ATOM 0 HD12 LEU A 17 -15.665 5.595 -17.482 1.00 40.42 H new ATOM 0 HD13 LEU A 17 -15.448 4.545 -16.062 1.00 40.42 H new ATOM 0 HD21 LEU A 17 -17.675 2.522 -16.899 1.00 51.33 H new ATOM 0 HD22 LEU A 17 -17.549 3.157 -15.241 1.00 51.33 H new ATOM 0 HD23 LEU A 17 -19.064 3.348 -16.155 1.00 51.33 H new ATOM 273 N THR A 18 -19.923 6.562 -13.450 1.00 2.14 N ATOM 274 CA THR A 18 -20.272 7.392 -12.309 1.00 51.34 C ATOM 275 C THR A 18 -19.573 6.885 -11.047 1.00 2.35 C ATOM 276 O THR A 18 -19.128 5.740 -10.996 1.00 62.35 O ATOM 277 CB THR A 18 -21.797 7.416 -12.191 1.00 53.24 C ATOM 278 OG1 THR A 18 -22.170 6.041 -12.231 1.00 11.41 O ATOM 279 CG2 THR A 18 -22.471 8.020 -13.425 1.00 44.44 C ATOM 0 H THR A 18 -19.830 5.568 -13.242 1.00 2.14 H new ATOM 0 HA THR A 18 -19.926 8.417 -12.445 1.00 51.34 H new ATOM 0 HB THR A 18 -22.083 7.985 -11.306 1.00 53.24 H new ATOM 0 HG1 THR A 18 -22.983 5.938 -12.769 1.00 11.41 H new ATOM 0 HG21 THR A 18 -23.552 8.013 -13.289 1.00 44.44 H new ATOM 0 HG22 THR A 18 -22.129 9.046 -13.561 1.00 44.44 H new ATOM 0 HG23 THR A 18 -22.212 7.432 -14.305 1.00 44.44 H new ATOM 287 N LEU A 19 -19.498 7.763 -10.057 1.00 41.42 N ATOM 288 CA LEU A 19 -18.860 7.419 -8.798 1.00 14.23 C ATOM 289 C LEU A 19 -19.670 6.321 -8.105 1.00 3.12 C ATOM 290 O LEU A 19 -19.169 5.652 -7.202 1.00 72.01 O ATOM 291 CB LEU A 19 -18.660 8.670 -7.939 1.00 63.24 C ATOM 292 CG LEU A 19 -17.656 8.542 -6.792 1.00 23.31 C ATOM 293 CD1 LEU A 19 -16.398 7.797 -7.244 1.00 74.41 C ATOM 294 CD2 LEU A 19 -17.327 9.912 -6.196 1.00 22.23 C ATOM 0 H LEU A 19 -19.869 8.712 -10.102 1.00 41.42 H new ATOM 0 HA LEU A 19 -17.862 7.018 -8.974 1.00 14.23 H new ATOM 0 HB2 LEU A 19 -18.338 9.485 -8.588 1.00 63.24 H new ATOM 0 HB3 LEU A 19 -19.625 8.958 -7.521 1.00 63.24 H new ATOM 0 HG LEU A 19 -18.115 7.948 -6.002 1.00 23.31 H new ATOM 0 HD11 LEU A 19 -15.701 7.720 -6.409 1.00 74.41 H new ATOM 0 HD12 LEU A 19 -16.669 6.797 -7.584 1.00 74.41 H new ATOM 0 HD13 LEU A 19 -15.926 8.342 -8.062 1.00 74.41 H new ATOM 0 HD21 LEU A 19 -16.611 9.793 -5.383 1.00 22.23 H new ATOM 0 HD22 LEU A 19 -16.896 10.550 -6.967 1.00 22.23 H new ATOM 0 HD23 LEU A 19 -18.239 10.370 -5.813 1.00 22.23 H new ATOM 306 N VAL A 20 -20.907 6.170 -8.554 1.00 30.34 N ATOM 307 CA VAL A 20 -21.790 5.164 -7.988 1.00 15.30 C ATOM 308 C VAL A 20 -21.669 3.871 -8.797 1.00 3.40 C ATOM 309 O VAL A 20 -22.322 2.877 -8.486 1.00 71.43 O ATOM 310 CB VAL A 20 -23.223 5.700 -7.929 1.00 24.33 C ATOM 311 CG1 VAL A 20 -23.240 7.173 -7.515 1.00 75.41 C ATOM 312 CG2 VAL A 20 -23.940 5.496 -9.265 1.00 3.42 C ATOM 0 H VAL A 20 -21.319 6.727 -9.303 1.00 30.34 H new ATOM 0 HA VAL A 20 -21.500 4.934 -6.963 1.00 15.30 H new ATOM 0 HB VAL A 20 -23.763 5.133 -7.170 1.00 24.33 H new ATOM 0 HG11 VAL A 20 -24.270 7.529 -7.481 1.00 75.41 H new ATOM 0 HG12 VAL A 20 -22.786 7.279 -6.530 1.00 75.41 H new ATOM 0 HG13 VAL A 20 -22.676 7.761 -8.239 1.00 75.41 H new ATOM 0 HG21 VAL A 20 -24.956 5.885 -9.196 1.00 3.42 H new ATOM 0 HG22 VAL A 20 -23.401 6.025 -10.051 1.00 3.42 H new ATOM 0 HG23 VAL A 20 -23.974 4.432 -9.501 1.00 3.42 H new ATOM 322 N MET A 21 -20.827 3.928 -9.819 1.00 75.40 N ATOM 323 CA MET A 21 -20.612 2.773 -10.675 1.00 44.40 C ATOM 324 C MET A 21 -19.124 2.426 -10.762 1.00 71.12 C ATOM 325 O MET A 21 -18.722 1.602 -11.583 1.00 15.41 O ATOM 326 CB MET A 21 -21.150 3.069 -12.076 1.00 50.13 C ATOM 327 CG MET A 21 -22.680 3.061 -12.089 1.00 30.03 C ATOM 328 SD MET A 21 -23.275 2.524 -13.684 1.00 3.22 S ATOM 329 CE MET A 21 -22.486 3.734 -14.732 1.00 43.31 C ATOM 0 H MET A 21 -20.286 4.755 -10.073 1.00 75.40 H new ATOM 0 HA MET A 21 -21.140 1.922 -10.246 1.00 44.40 H new ATOM 0 HB2 MET A 21 -20.785 4.040 -12.412 1.00 50.13 H new ATOM 0 HB3 MET A 21 -20.773 2.326 -12.779 1.00 50.13 H new ATOM 0 HG2 MET A 21 -23.055 2.397 -11.310 1.00 30.03 H new ATOM 0 HG3 MET A 21 -23.059 4.059 -11.868 1.00 30.03 H new ATOM 0 HE1 MET A 21 -23.247 4.320 -15.248 1.00 43.31 H new ATOM 0 HE2 MET A 21 -21.869 4.395 -14.124 1.00 43.31 H new ATOM 0 HE3 MET A 21 -21.860 3.227 -15.466 1.00 43.31 H new ATOM 339 N MET A 22 -18.347 3.071 -9.905 1.00 12.14 N ATOM 340 CA MET A 22 -16.913 2.841 -9.874 1.00 61.44 C ATOM 341 C MET A 22 -16.398 2.774 -8.435 1.00 53.20 C ATOM 342 O MET A 22 -16.988 3.367 -7.533 1.00 52.32 O ATOM 343 CB MET A 22 -16.199 3.969 -10.621 1.00 5.24 C ATOM 344 CG MET A 22 -16.442 3.870 -12.128 1.00 13.31 C ATOM 345 SD MET A 22 -15.375 5.008 -12.995 1.00 1.21 S ATOM 346 CE MET A 22 -16.147 6.556 -12.553 1.00 21.44 C ATOM 0 H MET A 22 -18.684 3.754 -9.226 1.00 12.14 H new ATOM 0 HA MET A 22 -16.707 1.886 -10.357 1.00 61.44 H new ATOM 0 HB2 MET A 22 -16.552 4.933 -10.255 1.00 5.24 H new ATOM 0 HB3 MET A 22 -15.129 3.924 -10.418 1.00 5.24 H new ATOM 0 HG2 MET A 22 -16.255 2.852 -12.469 1.00 13.31 H new ATOM 0 HG3 MET A 22 -17.485 4.094 -12.352 1.00 13.31 H new ATOM 0 HE1 MET A 22 -15.894 7.314 -13.295 1.00 21.44 H new ATOM 0 HE2 MET A 22 -17.229 6.427 -12.521 1.00 21.44 H new ATOM 0 HE3 MET A 22 -15.790 6.874 -11.573 1.00 21.44 H new ATOM 356 N THR A 23 -15.304 2.047 -8.265 1.00 2.34 N ATOM 357 CA THR A 23 -14.703 1.896 -6.950 1.00 72.32 C ATOM 358 C THR A 23 -13.246 1.448 -7.078 1.00 70.53 C ATOM 359 O THR A 23 -12.712 1.367 -8.184 1.00 14.24 O ATOM 360 CB THR A 23 -15.569 0.925 -6.144 1.00 2.40 C ATOM 361 OG1 THR A 23 -14.958 0.902 -4.857 1.00 4.20 O ATOM 362 CG2 THR A 23 -15.449 -0.517 -6.640 1.00 25.13 C ATOM 0 H THR A 23 -14.818 1.556 -9.015 1.00 2.34 H new ATOM 0 HA THR A 23 -14.672 2.846 -6.417 1.00 72.32 H new ATOM 0 HB THR A 23 -16.611 1.240 -6.195 1.00 2.40 H new ATOM 0 HG1 THR A 23 -15.457 0.298 -4.269 1.00 4.20 H new ATOM 0 HG21 THR A 23 -16.083 -1.164 -6.034 1.00 25.13 H new ATOM 0 HG22 THR A 23 -15.765 -0.571 -7.682 1.00 25.13 H new ATOM 0 HG23 THR A 23 -14.413 -0.845 -6.558 1.00 25.13 H new ATOM 370 N THR A 24 -12.644 1.167 -5.932 1.00 3.30 N ATOM 371 CA THR A 24 -11.259 0.729 -5.902 1.00 4.21 C ATOM 372 C THR A 24 -11.149 -0.648 -5.245 1.00 0.03 C ATOM 373 O THR A 24 -11.913 -0.969 -4.336 1.00 13.31 O ATOM 374 CB THR A 24 -10.437 1.808 -5.193 1.00 61.22 C ATOM 375 OG1 THR A 24 -10.740 1.624 -3.813 1.00 1.20 O ATOM 376 CG2 THR A 24 -10.937 3.221 -5.500 1.00 32.14 C ATOM 0 H THR A 24 -13.090 1.234 -5.017 1.00 3.30 H new ATOM 0 HA THR A 24 -10.861 0.606 -6.909 1.00 4.21 H new ATOM 0 HB THR A 24 -9.392 1.721 -5.489 1.00 61.22 H new ATOM 0 HG1 THR A 24 -10.261 0.838 -3.475 1.00 1.20 H new ATOM 0 HG21 THR A 24 -10.320 3.948 -4.972 1.00 32.14 H new ATOM 0 HG22 THR A 24 -10.876 3.404 -6.573 1.00 32.14 H new ATOM 0 HG23 THR A 24 -11.972 3.320 -5.174 1.00 32.14 H new ATOM 384 N ARG A 25 -10.192 -1.425 -5.730 1.00 72.41 N ATOM 385 CA ARG A 25 -9.973 -2.761 -5.201 1.00 43.22 C ATOM 386 C ARG A 25 -8.745 -3.396 -5.857 1.00 22.12 C ATOM 387 O ARG A 25 -8.609 -3.376 -7.079 1.00 50.21 O ATOM 388 CB ARG A 25 -11.191 -3.655 -5.441 1.00 65.32 C ATOM 389 CG ARG A 25 -11.476 -4.532 -4.220 1.00 14.41 C ATOM 390 CD ARG A 25 -10.853 -5.919 -4.383 1.00 21.32 C ATOM 391 NE ARG A 25 -11.560 -6.896 -3.525 1.00 14.11 N ATOM 392 CZ ARG A 25 -11.001 -8.027 -3.045 1.00 3.32 C ATOM 393 NH1 ARG A 25 -9.718 -8.333 -3.335 1.00 75.45 N ATOM 394 NH2 ARG A 25 -11.726 -8.828 -2.287 1.00 60.11 N ATOM 0 H ARG A 25 -9.559 -1.155 -6.483 1.00 72.41 H new ATOM 0 HA ARG A 25 -9.810 -2.670 -4.127 1.00 43.22 H new ATOM 0 HB2 ARG A 25 -12.062 -3.038 -5.661 1.00 65.32 H new ATOM 0 HB3 ARG A 25 -11.018 -4.285 -6.313 1.00 65.32 H new ATOM 0 HG2 ARG A 25 -11.079 -4.054 -3.324 1.00 14.41 H new ATOM 0 HG3 ARG A 25 -12.553 -4.627 -4.080 1.00 14.41 H new ATOM 0 HD2 ARG A 25 -10.909 -6.231 -5.426 1.00 21.32 H new ATOM 0 HD3 ARG A 25 -9.797 -5.886 -4.116 1.00 21.32 H new ATOM 0 HE ARG A 25 -12.531 -6.702 -3.281 1.00 14.11 H new ATOM 0 HH11 ARG A 25 -9.164 -7.708 -3.920 1.00 75.45 H new ATOM 0 HH12 ARG A 25 -9.303 -9.189 -2.969 1.00 75.45 H new ATOM 0 HH21 ARG A 25 -12.694 -8.589 -2.072 1.00 60.11 H new ATOM 0 HH22 ARG A 25 -11.318 -9.686 -1.916 1.00 60.11 H new ATOM 407 N VAL A 26 -7.882 -3.945 -5.015 1.00 23.31 N ATOM 408 CA VAL A 26 -6.670 -4.585 -5.497 1.00 63.42 C ATOM 409 C VAL A 26 -7.042 -5.833 -6.300 1.00 71.34 C ATOM 410 O VAL A 26 -7.276 -6.897 -5.729 1.00 25.04 O ATOM 411 CB VAL A 26 -5.734 -4.886 -4.324 1.00 75.53 C ATOM 412 CG1 VAL A 26 -4.315 -5.175 -4.815 1.00 65.13 C ATOM 413 CG2 VAL A 26 -5.742 -3.741 -3.309 1.00 62.45 C ATOM 0 H VAL A 26 -7.998 -3.960 -4.002 1.00 23.31 H new ATOM 0 HA VAL A 26 -6.126 -3.918 -6.166 1.00 63.42 H new ATOM 0 HB VAL A 26 -6.102 -5.781 -3.822 1.00 75.53 H new ATOM 0 HG11 VAL A 26 -3.671 -5.386 -3.962 1.00 65.13 H new ATOM 0 HG12 VAL A 26 -4.329 -6.038 -5.481 1.00 65.13 H new ATOM 0 HG13 VAL A 26 -3.933 -4.308 -5.353 1.00 65.13 H new ATOM 0 HG21 VAL A 26 -5.069 -3.980 -2.486 1.00 62.45 H new ATOM 0 HG22 VAL A 26 -5.411 -2.823 -3.794 1.00 62.45 H new ATOM 0 HG23 VAL A 26 -6.752 -3.604 -2.924 1.00 62.45 H new ATOM 423 N VAL A 27 -7.086 -5.662 -7.613 1.00 50.44 N ATOM 424 CA VAL A 27 -7.426 -6.761 -8.501 1.00 11.31 C ATOM 425 C VAL A 27 -6.235 -7.061 -9.413 1.00 71.11 C ATOM 426 O VAL A 27 -5.306 -6.261 -9.511 1.00 12.30 O ATOM 427 CB VAL A 27 -8.704 -6.432 -9.275 1.00 52.11 C ATOM 428 CG1 VAL A 27 -9.831 -6.024 -8.325 1.00 14.15 C ATOM 429 CG2 VAL A 27 -8.448 -5.344 -10.320 1.00 65.43 C ATOM 0 H VAL A 27 -6.892 -4.778 -8.084 1.00 50.44 H new ATOM 0 HA VAL A 27 -7.633 -7.665 -7.928 1.00 11.31 H new ATOM 0 HB VAL A 27 -9.018 -7.334 -9.800 1.00 52.11 H new ATOM 0 HG11 VAL A 27 -10.728 -5.796 -8.901 1.00 14.15 H new ATOM 0 HG12 VAL A 27 -10.041 -6.843 -7.637 1.00 14.15 H new ATOM 0 HG13 VAL A 27 -9.529 -5.143 -7.759 1.00 14.15 H new ATOM 0 HG21 VAL A 27 -9.373 -5.129 -10.856 1.00 65.43 H new ATOM 0 HG22 VAL A 27 -8.097 -4.439 -9.824 1.00 65.43 H new ATOM 0 HG23 VAL A 27 -7.691 -5.688 -11.025 1.00 65.43 H new ATOM 439 N SER A 28 -6.301 -8.217 -10.058 1.00 10.32 N ATOM 440 CA SER A 28 -5.240 -8.633 -10.959 1.00 4.33 C ATOM 441 C SER A 28 -5.839 -9.271 -12.214 1.00 4.52 C ATOM 442 O SER A 28 -6.699 -10.145 -12.120 1.00 41.42 O ATOM 443 CB SER A 28 -4.285 -9.610 -10.271 1.00 22.24 C ATOM 444 OG SER A 28 -2.960 -9.516 -10.788 1.00 74.42 O ATOM 0 H SER A 28 -7.073 -8.878 -9.974 1.00 10.32 H new ATOM 0 HA SER A 28 -4.669 -7.750 -11.246 1.00 4.33 H new ATOM 0 HB2 SER A 28 -4.271 -9.409 -9.200 1.00 22.24 H new ATOM 0 HB3 SER A 28 -4.653 -10.628 -10.400 1.00 22.24 H new ATOM 0 HG SER A 28 -2.381 -10.154 -10.322 1.00 74.42 H new ATOM 450 N PRO A 29 -5.347 -8.796 -13.390 1.00 33.21 N ATOM 451 CA PRO A 29 -4.329 -7.760 -13.412 1.00 52.20 C ATOM 452 C PRO A 29 -4.929 -6.394 -13.072 1.00 74.10 C ATOM 453 O PRO A 29 -6.144 -6.213 -13.134 1.00 75.24 O ATOM 454 CB PRO A 29 -3.739 -7.818 -14.812 1.00 12.44 C ATOM 455 CG PRO A 29 -4.757 -8.560 -15.662 1.00 65.44 C ATOM 456 CD PRO A 29 -5.746 -9.232 -14.725 1.00 34.21 C ATOM 0 HA PRO A 29 -3.554 -7.915 -12.661 1.00 52.20 H new ATOM 0 HB2 PRO A 29 -3.560 -6.816 -15.202 1.00 12.44 H new ATOM 0 HB3 PRO A 29 -2.780 -8.336 -14.811 1.00 12.44 H new ATOM 0 HG2 PRO A 29 -5.272 -7.870 -16.330 1.00 65.44 H new ATOM 0 HG3 PRO A 29 -4.262 -9.301 -16.290 1.00 65.44 H new ATOM 0 HD2 PRO A 29 -6.770 -8.933 -14.950 1.00 34.21 H new ATOM 0 HD3 PRO A 29 -5.703 -10.317 -14.816 1.00 34.21 H new ATOM 464 N THR A 30 -4.050 -5.468 -12.720 1.00 1.10 N ATOM 465 CA THR A 30 -4.478 -4.124 -12.370 1.00 43.02 C ATOM 466 C THR A 30 -4.833 -3.333 -13.630 1.00 53.34 C ATOM 467 O THR A 30 -4.268 -3.569 -14.697 1.00 22.53 O ATOM 468 CB THR A 30 -3.369 -3.476 -11.539 1.00 22.23 C ATOM 469 OG1 THR A 30 -2.166 -3.979 -12.113 1.00 25.01 O ATOM 470 CG2 THR A 30 -3.339 -3.993 -10.099 1.00 2.12 C ATOM 0 H THR A 30 -3.043 -5.622 -12.670 1.00 1.10 H new ATOM 0 HA THR A 30 -5.387 -4.142 -11.768 1.00 43.02 H new ATOM 0 HB THR A 30 -3.504 -2.394 -11.534 1.00 22.23 H new ATOM 0 HG1 THR A 30 -1.395 -3.608 -11.635 1.00 25.01 H new ATOM 0 HG21 THR A 30 -2.534 -3.501 -9.553 1.00 2.12 H new ATOM 0 HG22 THR A 30 -4.291 -3.777 -9.615 1.00 2.12 H new ATOM 0 HG23 THR A 30 -3.170 -5.070 -10.102 1.00 2.12 H new ATOM 478 N GLY A 31 -5.769 -2.409 -13.466 1.00 42.01 N ATOM 479 CA GLY A 31 -6.207 -1.581 -14.577 1.00 64.22 C ATOM 480 C GLY A 31 -6.115 -0.095 -14.224 1.00 24.43 C ATOM 481 O GLY A 31 -5.212 0.319 -13.498 1.00 33.25 O ATOM 0 H GLY A 31 -6.236 -2.216 -12.580 1.00 42.01 H new ATOM 0 HA2 GLY A 31 -5.594 -1.789 -15.454 1.00 64.22 H new ATOM 0 HA3 GLY A 31 -7.234 -1.833 -14.840 1.00 64.22 H new ATOM 485 N ILE A 32 -7.061 0.666 -14.754 1.00 24.23 N ATOM 486 CA ILE A 32 -7.098 2.097 -14.503 1.00 64.32 C ATOM 487 C ILE A 32 -6.839 2.357 -13.018 1.00 33.12 C ATOM 488 O ILE A 32 -7.337 1.629 -12.161 1.00 14.04 O ATOM 489 CB ILE A 32 -8.410 2.696 -15.014 1.00 4.14 C ATOM 490 CG1 ILE A 32 -8.470 2.661 -16.542 1.00 54.10 C ATOM 491 CG2 ILE A 32 -8.617 4.109 -14.464 1.00 33.22 C ATOM 492 CD1 ILE A 32 -9.917 2.732 -17.035 1.00 11.31 C ATOM 0 H ILE A 32 -7.808 0.319 -15.356 1.00 24.23 H new ATOM 0 HA ILE A 32 -6.307 2.602 -15.057 1.00 64.32 H new ATOM 0 HB ILE A 32 -9.233 2.083 -14.646 1.00 4.14 H new ATOM 0 HG12 ILE A 32 -7.901 3.496 -16.951 1.00 54.10 H new ATOM 0 HG13 ILE A 32 -8.002 1.747 -16.907 1.00 54.10 H new ATOM 0 HG21 ILE A 32 -9.556 4.513 -14.842 1.00 33.22 H new ATOM 0 HG22 ILE A 32 -8.649 4.074 -13.375 1.00 33.22 H new ATOM 0 HG23 ILE A 32 -7.793 4.748 -14.783 1.00 33.22 H new ATOM 0 HD11 ILE A 32 -9.932 2.705 -18.125 1.00 11.31 H new ATOM 0 HD12 ILE A 32 -10.477 1.883 -16.644 1.00 11.31 H new ATOM 0 HD13 ILE A 32 -10.374 3.659 -16.688 1.00 11.31 H new ATOM 504 N PRO A 33 -6.040 3.425 -12.752 1.00 32.21 N ATOM 505 CA PRO A 33 -5.710 3.790 -11.385 1.00 43.20 C ATOM 506 C PRO A 33 -6.898 4.463 -10.695 1.00 3.32 C ATOM 507 O PRO A 33 -7.665 5.183 -11.333 1.00 22.23 O ATOM 508 CB PRO A 33 -4.498 4.700 -11.503 1.00 62.11 C ATOM 509 CG PRO A 33 -4.478 5.183 -12.944 1.00 70.02 C ATOM 510 CD PRO A 33 -5.433 4.309 -13.742 1.00 5.43 C ATOM 0 HA PRO A 33 -5.483 2.925 -10.762 1.00 43.20 H new ATOM 0 HB2 PRO A 33 -4.571 5.539 -10.811 1.00 62.11 H new ATOM 0 HB3 PRO A 33 -3.581 4.163 -11.258 1.00 62.11 H new ATOM 0 HG2 PRO A 33 -4.780 6.229 -13.000 1.00 70.02 H new ATOM 0 HG3 PRO A 33 -3.470 5.120 -13.354 1.00 70.02 H new ATOM 0 HD2 PRO A 33 -6.187 4.909 -14.252 1.00 5.43 H new ATOM 0 HD3 PRO A 33 -4.905 3.742 -14.508 1.00 5.43 H new ATOM 518 N ALA A 34 -7.013 4.206 -9.400 1.00 64.22 N ATOM 519 CA ALA A 34 -8.094 4.778 -8.616 1.00 71.14 C ATOM 520 C ALA A 34 -8.002 6.304 -8.665 1.00 45.35 C ATOM 521 O ALA A 34 -8.985 6.998 -8.411 1.00 60.11 O ATOM 522 CB ALA A 34 -8.031 4.236 -7.187 1.00 71.41 C ATOM 0 H ALA A 34 -6.375 3.609 -8.874 1.00 64.22 H new ATOM 0 HA ALA A 34 -9.061 4.493 -9.031 1.00 71.14 H new ATOM 0 HB1 ALA A 34 -8.842 4.665 -6.599 1.00 71.41 H new ATOM 0 HB2 ALA A 34 -8.131 3.151 -7.205 1.00 71.41 H new ATOM 0 HB3 ALA A 34 -7.075 4.505 -6.738 1.00 71.41 H new ATOM 528 N GLU A 35 -6.811 6.783 -8.994 1.00 64.24 N ATOM 529 CA GLU A 35 -6.577 8.214 -9.080 1.00 42.31 C ATOM 530 C GLU A 35 -7.281 8.795 -10.309 1.00 25.55 C ATOM 531 O GLU A 35 -7.278 10.007 -10.515 1.00 11.13 O ATOM 532 CB GLU A 35 -5.079 8.525 -9.109 1.00 21.51 C ATOM 533 CG GLU A 35 -4.299 7.545 -8.230 1.00 31.32 C ATOM 534 CD GLU A 35 -3.214 8.269 -7.431 1.00 3.21 C ATOM 535 OE1 GLU A 35 -3.508 8.866 -6.385 1.00 13.03 O ATOM 536 OE2 GLU A 35 -2.027 8.196 -7.932 1.00 54.12 O ATOM 0 H GLU A 35 -5.998 6.205 -9.204 1.00 64.24 H new ATOM 0 HA GLU A 35 -6.995 8.684 -8.190 1.00 42.31 H new ATOM 0 HB2 GLU A 35 -4.712 8.471 -10.134 1.00 21.51 H new ATOM 0 HB3 GLU A 35 -4.909 9.544 -8.763 1.00 21.51 H new ATOM 0 HG2 GLU A 35 -4.982 7.040 -7.547 1.00 31.32 H new ATOM 0 HG3 GLU A 35 -3.844 6.775 -8.853 1.00 31.32 H new ATOM 544 N ASP A 36 -7.866 7.901 -11.092 1.00 52.24 N ATOM 545 CA ASP A 36 -8.572 8.309 -12.295 1.00 13.31 C ATOM 546 C ASP A 36 -10.079 8.167 -12.070 1.00 21.43 C ATOM 547 O ASP A 36 -10.869 8.365 -12.991 1.00 74.30 O ATOM 548 CB ASP A 36 -8.187 7.429 -13.485 1.00 42.25 C ATOM 549 CG ASP A 36 -6.710 7.487 -13.881 1.00 21.01 C ATOM 550 OD1 ASP A 36 -6.312 6.980 -14.941 1.00 12.54 O ATOM 551 OD2 ASP A 36 -5.943 8.091 -13.038 1.00 10.23 O ATOM 0 H ASP A 36 -7.866 6.896 -10.917 1.00 52.24 H new ATOM 0 HA ASP A 36 -8.303 9.343 -12.509 1.00 13.31 H new ATOM 0 HB2 ASP A 36 -8.445 6.396 -13.252 1.00 42.25 H new ATOM 0 HB3 ASP A 36 -8.790 7.722 -14.344 1.00 42.25 H new ATOM 557 N ILE A 37 -10.431 7.824 -10.839 1.00 71.13 N ATOM 558 CA ILE A 37 -11.829 7.652 -10.481 1.00 41.33 C ATOM 559 C ILE A 37 -12.613 8.901 -10.891 1.00 24.05 C ATOM 560 O ILE A 37 -13.654 8.800 -11.538 1.00 3.43 O ATOM 561 CB ILE A 37 -11.963 7.301 -8.998 1.00 61.43 C ATOM 562 CG1 ILE A 37 -12.013 5.785 -8.797 1.00 23.34 C ATOM 563 CG2 ILE A 37 -13.172 8.002 -8.376 1.00 22.23 C ATOM 564 CD1 ILE A 37 -12.663 5.431 -7.458 1.00 35.21 C ATOM 0 H ILE A 37 -9.772 7.661 -10.077 1.00 71.13 H new ATOM 0 HA ILE A 37 -12.261 6.811 -11.024 1.00 41.33 H new ATOM 0 HB ILE A 37 -11.077 7.666 -8.478 1.00 61.43 H new ATOM 0 HG12 ILE A 37 -12.574 5.325 -9.611 1.00 23.34 H new ATOM 0 HG13 ILE A 37 -11.003 5.376 -8.835 1.00 23.34 H new ATOM 0 HG21 ILE A 37 -13.244 7.736 -7.322 1.00 22.23 H new ATOM 0 HG22 ILE A 37 -13.055 9.082 -8.470 1.00 22.23 H new ATOM 0 HG23 ILE A 37 -14.079 7.689 -8.892 1.00 22.23 H new ATOM 0 HD11 ILE A 37 -12.686 4.348 -7.340 1.00 35.21 H new ATOM 0 HD12 ILE A 37 -12.086 5.872 -6.645 1.00 35.21 H new ATOM 0 HD13 ILE A 37 -13.681 5.820 -7.433 1.00 35.21 H new ATOM 576 N PRO A 38 -12.068 10.080 -10.486 1.00 32.43 N ATOM 577 CA PRO A 38 -12.705 11.346 -10.803 1.00 41.42 C ATOM 578 C PRO A 38 -12.493 11.714 -12.273 1.00 63.53 C ATOM 579 O PRO A 38 -12.987 12.739 -12.738 1.00 54.24 O ATOM 580 CB PRO A 38 -12.084 12.350 -9.845 1.00 35.22 C ATOM 581 CG PRO A 38 -10.798 11.711 -9.347 1.00 72.43 C ATOM 582 CD PRO A 38 -10.836 10.237 -9.718 1.00 35.03 C ATOM 0 HA PRO A 38 -13.788 11.314 -10.680 1.00 41.42 H new ATOM 0 HB2 PRO A 38 -11.881 13.296 -10.348 1.00 35.22 H new ATOM 0 HB3 PRO A 38 -12.758 12.568 -9.017 1.00 35.22 H new ATOM 0 HG2 PRO A 38 -9.932 12.196 -9.797 1.00 72.43 H new ATOM 0 HG3 PRO A 38 -10.705 11.831 -8.268 1.00 72.43 H new ATOM 0 HD2 PRO A 38 -9.963 9.954 -10.307 1.00 35.03 H new ATOM 0 HD3 PRO A 38 -10.840 9.605 -8.830 1.00 35.03 H new ATOM 590 N ARG A 39 -11.756 10.855 -12.964 1.00 55.40 N ATOM 591 CA ARG A 39 -11.473 11.076 -14.372 1.00 2.51 C ATOM 592 C ARG A 39 -12.444 10.276 -15.241 1.00 72.52 C ATOM 593 O ARG A 39 -12.917 10.767 -16.264 1.00 54.55 O ATOM 594 CB ARG A 39 -10.038 10.670 -14.715 1.00 52.30 C ATOM 595 CG ARG A 39 -9.028 11.550 -13.976 1.00 23.32 C ATOM 596 CD ARG A 39 -7.683 11.572 -14.706 1.00 12.22 C ATOM 597 NE ARG A 39 -7.372 10.226 -15.235 1.00 20.50 N ATOM 598 CZ ARG A 39 -6.575 9.997 -16.301 1.00 34.54 C ATOM 599 NH1 ARG A 39 -6.002 11.025 -16.961 1.00 22.12 N ATOM 600 NH2 ARG A 39 -6.366 8.752 -16.687 1.00 61.13 N ATOM 0 H ARG A 39 -11.347 10.006 -12.575 1.00 55.40 H new ATOM 0 HA ARG A 39 -11.595 12.141 -14.572 1.00 2.51 H new ATOM 0 HB2 ARG A 39 -9.878 9.625 -14.449 1.00 52.30 H new ATOM 0 HB3 ARG A 39 -9.880 10.753 -15.790 1.00 52.30 H new ATOM 0 HG2 ARG A 39 -9.417 12.565 -13.892 1.00 23.32 H new ATOM 0 HG3 ARG A 39 -8.889 11.177 -12.961 1.00 23.32 H new ATOM 0 HD2 ARG A 39 -7.715 12.294 -15.522 1.00 12.22 H new ATOM 0 HD3 ARG A 39 -6.896 11.895 -14.025 1.00 12.22 H new ATOM 0 HE ARG A 39 -7.785 9.420 -14.765 1.00 20.50 H new ATOM 0 HH11 ARG A 39 -6.169 11.984 -16.656 1.00 22.12 H new ATOM 0 HH12 ARG A 39 -5.401 10.843 -17.765 1.00 22.12 H new ATOM 0 HH21 ARG A 39 -6.804 7.981 -16.182 1.00 61.13 H new ATOM 0 HH22 ARG A 39 -5.767 8.561 -17.490 1.00 61.13 H new ATOM 613 N LEU A 40 -12.713 9.055 -14.802 1.00 24.30 N ATOM 614 CA LEU A 40 -13.619 8.181 -15.527 1.00 71.23 C ATOM 615 C LEU A 40 -15.044 8.729 -15.420 1.00 64.22 C ATOM 616 O LEU A 40 -15.871 8.492 -16.299 1.00 33.23 O ATOM 617 CB LEU A 40 -13.477 6.738 -15.039 1.00 70.35 C ATOM 618 CG LEU A 40 -12.231 5.988 -15.516 1.00 11.21 C ATOM 619 CD1 LEU A 40 -12.168 5.946 -17.044 1.00 25.01 C ATOM 620 CD2 LEU A 40 -10.963 6.589 -14.906 1.00 11.11 C ATOM 0 H LEU A 40 -12.319 8.650 -13.953 1.00 24.30 H new ATOM 0 HA LEU A 40 -13.363 8.161 -16.586 1.00 71.23 H new ATOM 0 HB2 LEU A 40 -13.479 6.742 -13.949 1.00 70.35 H new ATOM 0 HB3 LEU A 40 -14.357 6.179 -15.357 1.00 70.35 H new ATOM 0 HG LEU A 40 -12.298 4.957 -15.168 1.00 11.21 H new ATOM 0 HD11 LEU A 40 -11.273 5.408 -17.357 1.00 25.01 H new ATOM 0 HD12 LEU A 40 -13.051 5.438 -17.431 1.00 25.01 H new ATOM 0 HD13 LEU A 40 -12.135 6.963 -17.435 1.00 25.01 H new ATOM 0 HD21 LEU A 40 -10.092 6.038 -15.261 1.00 11.11 H new ATOM 0 HD22 LEU A 40 -10.877 7.634 -15.203 1.00 11.11 H new ATOM 0 HD23 LEU A 40 -11.016 6.523 -13.819 1.00 11.11 H new ATOM 632 N ILE A 41 -15.286 9.451 -14.336 1.00 43.12 N ATOM 633 CA ILE A 41 -16.596 10.035 -14.103 1.00 22.31 C ATOM 634 C ILE A 41 -16.983 10.903 -15.301 1.00 51.43 C ATOM 635 O ILE A 41 -16.190 11.724 -15.760 1.00 2.02 O ATOM 636 CB ILE A 41 -16.619 10.782 -12.768 1.00 53.22 C ATOM 637 CG1 ILE A 41 -16.283 9.843 -11.608 1.00 0.32 C ATOM 638 CG2 ILE A 41 -17.959 11.492 -12.561 1.00 44.41 C ATOM 639 CD1 ILE A 41 -17.548 9.432 -10.851 1.00 64.23 C ATOM 0 H ILE A 41 -14.597 9.645 -13.609 1.00 43.12 H new ATOM 0 HA ILE A 41 -17.352 9.254 -14.018 1.00 22.31 H new ATOM 0 HB ILE A 41 -15.847 11.551 -12.793 1.00 53.22 H new ATOM 0 HG12 ILE A 41 -15.778 8.955 -11.989 1.00 0.32 H new ATOM 0 HG13 ILE A 41 -15.590 10.336 -10.926 1.00 0.32 H new ATOM 0 HG21 ILE A 41 -17.950 12.015 -11.605 1.00 44.41 H new ATOM 0 HG22 ILE A 41 -18.119 12.209 -13.366 1.00 44.41 H new ATOM 0 HG23 ILE A 41 -18.764 10.757 -12.565 1.00 44.41 H new ATOM 0 HD11 ILE A 41 -17.281 8.765 -10.032 1.00 64.23 H new ATOM 0 HD12 ILE A 41 -18.037 10.320 -10.451 1.00 64.23 H new ATOM 0 HD13 ILE A 41 -18.228 8.918 -11.531 1.00 64.23 H new ATOM 651 N SER A 42 -18.203 10.693 -15.774 1.00 43.33 N ATOM 652 CA SER A 42 -18.705 11.447 -16.911 1.00 1.15 C ATOM 653 C SER A 42 -18.289 10.765 -18.216 1.00 10.53 C ATOM 654 O SER A 42 -18.819 11.080 -19.280 1.00 65.25 O ATOM 655 CB SER A 42 -18.199 12.891 -16.881 1.00 22.41 C ATOM 656 OG SER A 42 -19.116 13.791 -17.496 1.00 73.32 O ATOM 0 H SER A 42 -18.858 10.012 -15.391 1.00 43.33 H new ATOM 0 HA SER A 42 -19.793 11.471 -16.852 1.00 1.15 H new ATOM 0 HB2 SER A 42 -18.031 13.195 -15.848 1.00 22.41 H new ATOM 0 HB3 SER A 42 -17.237 12.949 -17.391 1.00 22.41 H new ATOM 0 HG SER A 42 -18.757 14.702 -17.455 1.00 73.32 H new ATOM 662 N MET A 43 -17.345 9.845 -18.090 1.00 64.22 N ATOM 663 CA MET A 43 -16.851 9.116 -19.247 1.00 15.14 C ATOM 664 C MET A 43 -17.523 7.746 -19.358 1.00 63.41 C ATOM 665 O MET A 43 -17.576 6.995 -18.385 1.00 0.52 O ATOM 666 CB MET A 43 -15.337 8.935 -19.128 1.00 61.21 C ATOM 667 CG MET A 43 -14.687 10.161 -18.483 1.00 62.43 C ATOM 668 SD MET A 43 -13.071 10.437 -19.190 1.00 11.34 S ATOM 669 CE MET A 43 -12.575 8.751 -19.500 1.00 35.22 C ATOM 0 H MET A 43 -16.909 9.587 -17.205 1.00 64.22 H new ATOM 0 HA MET A 43 -17.087 9.689 -20.143 1.00 15.14 H new ATOM 0 HB2 MET A 43 -15.119 8.048 -18.533 1.00 61.21 H new ATOM 0 HB3 MET A 43 -14.908 8.769 -20.116 1.00 61.21 H new ATOM 0 HG2 MET A 43 -15.315 11.039 -18.636 1.00 62.43 H new ATOM 0 HG3 MET A 43 -14.602 10.014 -17.406 1.00 62.43 H new ATOM 0 HE1 MET A 43 -11.525 8.626 -19.236 1.00 35.22 H new ATOM 0 HE2 MET A 43 -13.183 8.076 -18.897 1.00 35.22 H new ATOM 0 HE3 MET A 43 -12.714 8.519 -20.556 1.00 35.22 H new ATOM 679 N GLN A 44 -18.018 7.460 -20.553 1.00 52.53 N ATOM 680 CA GLN A 44 -18.684 6.194 -20.805 1.00 23.52 C ATOM 681 C GLN A 44 -17.653 5.102 -21.102 1.00 11.32 C ATOM 682 O GLN A 44 -16.469 5.391 -21.268 1.00 21.44 O ATOM 683 CB GLN A 44 -19.692 6.321 -21.948 1.00 41.34 C ATOM 684 CG GLN A 44 -20.662 7.477 -21.697 1.00 53.33 C ATOM 685 CD GLN A 44 -20.997 8.205 -23.001 1.00 3.31 C ATOM 686 OE1 GLN A 44 -20.580 9.327 -23.240 1.00 60.33 O ATOM 687 NE2 GLN A 44 -21.770 7.507 -23.827 1.00 51.14 N ATOM 0 H GLN A 44 -17.971 8.084 -21.358 1.00 52.53 H new ATOM 0 HA GLN A 44 -19.236 5.912 -19.908 1.00 23.52 H new ATOM 0 HB2 GLN A 44 -19.164 6.482 -22.888 1.00 41.34 H new ATOM 0 HB3 GLN A 44 -20.249 5.390 -22.052 1.00 41.34 H new ATOM 0 HG2 GLN A 44 -21.577 7.097 -21.243 1.00 53.33 H new ATOM 0 HG3 GLN A 44 -20.222 8.178 -20.988 1.00 53.33 H new ATOM 0 HE21 GLN A 44 -22.084 6.573 -23.565 1.00 51.14 H new ATOM 0 HE22 GLN A 44 -22.049 7.906 -24.723 1.00 51.14 H new ATOM 696 N VAL A 45 -18.141 3.872 -21.160 1.00 53.00 N ATOM 697 CA VAL A 45 -17.277 2.736 -21.434 1.00 53.31 C ATOM 698 C VAL A 45 -17.412 2.342 -22.906 1.00 52.13 C ATOM 699 O VAL A 45 -18.438 2.605 -23.532 1.00 12.44 O ATOM 700 CB VAL A 45 -17.602 1.589 -20.476 1.00 22.42 C ATOM 701 CG1 VAL A 45 -17.282 1.974 -19.030 1.00 45.23 C ATOM 702 CG2 VAL A 45 -19.062 1.153 -20.617 1.00 23.14 C ATOM 0 H VAL A 45 -19.124 3.637 -21.022 1.00 53.00 H new ATOM 0 HA VAL A 45 -16.233 2.999 -21.262 1.00 53.31 H new ATOM 0 HB VAL A 45 -16.972 0.741 -20.744 1.00 22.42 H new ATOM 0 HG11 VAL A 45 -17.522 1.141 -18.370 1.00 45.23 H new ATOM 0 HG12 VAL A 45 -16.222 2.212 -18.943 1.00 45.23 H new ATOM 0 HG13 VAL A 45 -17.874 2.844 -18.746 1.00 45.23 H new ATOM 0 HG21 VAL A 45 -19.266 0.336 -19.925 1.00 23.14 H new ATOM 0 HG22 VAL A 45 -19.717 1.994 -20.389 1.00 23.14 H new ATOM 0 HG23 VAL A 45 -19.245 0.817 -21.638 1.00 23.14 H new ATOM 712 N ASN A 46 -16.362 1.717 -23.417 1.00 45.22 N ATOM 713 CA ASN A 46 -16.350 1.284 -24.804 1.00 43.11 C ATOM 714 C ASN A 46 -16.522 -0.235 -24.861 1.00 30.11 C ATOM 715 O ASN A 46 -16.014 -0.887 -25.772 1.00 32.43 O ATOM 716 CB ASN A 46 -15.023 1.635 -25.479 1.00 65.14 C ATOM 717 CG ASN A 46 -13.869 0.838 -24.867 1.00 45.24 C ATOM 718 OD1 ASN A 46 -13.932 -0.369 -24.703 1.00 63.15 O ATOM 719 ND2 ASN A 46 -12.814 1.579 -24.540 1.00 3.01 N ATOM 0 H ASN A 46 -15.513 1.500 -22.895 1.00 45.22 H new ATOM 0 HA ASN A 46 -17.164 1.791 -25.323 1.00 43.11 H new ATOM 0 HB2 ASN A 46 -15.088 1.426 -26.547 1.00 65.14 H new ATOM 0 HB3 ASN A 46 -14.829 2.702 -25.374 1.00 65.14 H new ATOM 0 HD21 ASN A 46 -11.992 1.141 -24.125 1.00 3.01 H new ATOM 0 HD22 ASN A 46 -12.827 2.586 -24.704 1.00 3.01 H new ATOM 726 N GLN A 47 -17.240 -0.754 -23.876 1.00 31.41 N ATOM 727 CA GLN A 47 -17.486 -2.185 -23.802 1.00 43.33 C ATOM 728 C GLN A 47 -18.310 -2.518 -22.557 1.00 71.33 C ATOM 729 O GLN A 47 -18.194 -1.847 -21.533 1.00 43.13 O ATOM 730 CB GLN A 47 -16.172 -2.968 -23.816 1.00 24.01 C ATOM 731 CG GLN A 47 -16.412 -4.448 -23.511 1.00 12.12 C ATOM 732 CD GLN A 47 -15.091 -5.177 -23.257 1.00 34.21 C ATOM 733 OE1 GLN A 47 -14.338 -4.620 -22.313 1.00 43.53 O flip ATOM 734 NE2 GLN A 47 -14.777 -6.180 -23.877 1.00 14.22 N flip ATOM 0 H GLN A 47 -17.660 -0.210 -23.122 1.00 31.41 H new ATOM 0 HA GLN A 47 -18.057 -2.482 -24.682 1.00 43.33 H new ATOM 0 HB2 GLN A 47 -15.695 -2.867 -24.791 1.00 24.01 H new ATOM 0 HB3 GLN A 47 -15.486 -2.548 -23.080 1.00 24.01 H new ATOM 0 HG2 GLN A 47 -17.058 -4.543 -22.638 1.00 12.12 H new ATOM 0 HG3 GLN A 47 -16.934 -4.915 -24.346 1.00 12.12 H new ATOM 0 HE21 GLN A 47 -15.403 -6.556 -24.590 1.00 14.22 H new ATOM 0 HE22 GLN A 47 -13.889 -6.643 -23.682 1.00 14.22 H new ATOM 743 N VAL A 48 -19.125 -3.555 -22.686 1.00 64.24 N ATOM 744 CA VAL A 48 -19.968 -3.986 -21.584 1.00 71.04 C ATOM 745 C VAL A 48 -19.086 -4.442 -20.421 1.00 2.15 C ATOM 746 O VAL A 48 -18.529 -5.538 -20.452 1.00 25.04 O ATOM 747 CB VAL A 48 -20.937 -5.070 -22.060 1.00 74.11 C ATOM 748 CG1 VAL A 48 -21.358 -5.976 -20.901 1.00 62.44 C ATOM 749 CG2 VAL A 48 -22.159 -4.452 -22.744 1.00 4.11 C ATOM 0 H VAL A 48 -19.219 -4.109 -23.537 1.00 64.24 H new ATOM 0 HA VAL A 48 -20.579 -3.158 -21.224 1.00 71.04 H new ATOM 0 HB VAL A 48 -20.417 -5.685 -22.795 1.00 74.11 H new ATOM 0 HG11 VAL A 48 -22.047 -6.738 -21.266 1.00 62.44 H new ATOM 0 HG12 VAL A 48 -20.477 -6.457 -20.477 1.00 62.44 H new ATOM 0 HG13 VAL A 48 -21.851 -5.379 -20.133 1.00 62.44 H new ATOM 0 HG21 VAL A 48 -22.831 -5.244 -23.073 1.00 4.11 H new ATOM 0 HG22 VAL A 48 -22.680 -3.802 -22.041 1.00 4.11 H new ATOM 0 HG23 VAL A 48 -21.837 -3.869 -23.606 1.00 4.11 H new ATOM 759 N VAL A 49 -18.986 -3.578 -19.421 1.00 54.43 N ATOM 760 CA VAL A 49 -18.181 -3.878 -18.249 1.00 54.35 C ATOM 761 C VAL A 49 -19.102 -4.112 -17.050 1.00 61.31 C ATOM 762 O VAL A 49 -19.578 -3.161 -16.433 1.00 53.11 O ATOM 763 CB VAL A 49 -17.164 -2.759 -18.013 1.00 34.32 C ATOM 764 CG1 VAL A 49 -16.339 -3.026 -16.752 1.00 73.34 C ATOM 765 CG2 VAL A 49 -16.259 -2.575 -19.232 1.00 40.42 C ATOM 0 H VAL A 49 -19.450 -2.670 -19.398 1.00 54.43 H new ATOM 0 HA VAL A 49 -17.608 -4.793 -18.402 1.00 54.35 H new ATOM 0 HB VAL A 49 -17.715 -1.831 -17.863 1.00 34.32 H new ATOM 0 HG11 VAL A 49 -15.624 -2.216 -16.607 1.00 73.34 H new ATOM 0 HG12 VAL A 49 -17.002 -3.084 -15.889 1.00 73.34 H new ATOM 0 HG13 VAL A 49 -15.803 -3.969 -16.861 1.00 73.34 H new ATOM 0 HG21 VAL A 49 -15.546 -1.774 -19.038 1.00 40.42 H new ATOM 0 HG22 VAL A 49 -15.720 -3.502 -19.428 1.00 40.42 H new ATOM 0 HG23 VAL A 49 -16.866 -2.318 -20.100 1.00 40.42 H new ATOM 775 N PRO A 50 -19.331 -5.418 -16.748 1.00 24.40 N ATOM 776 CA PRO A 50 -20.186 -5.790 -15.634 1.00 24.25 C ATOM 777 C PRO A 50 -19.472 -5.570 -14.298 1.00 33.21 C ATOM 778 O PRO A 50 -18.247 -5.477 -14.253 1.00 4.43 O ATOM 779 CB PRO A 50 -20.545 -7.246 -15.882 1.00 53.12 C ATOM 780 CG PRO A 50 -19.512 -7.768 -16.867 1.00 21.30 C ATOM 781 CD PRO A 50 -18.783 -6.572 -17.457 1.00 14.34 C ATOM 0 HA PRO A 50 -21.085 -5.177 -15.571 1.00 24.25 H new ATOM 0 HB2 PRO A 50 -20.523 -7.817 -14.954 1.00 53.12 H new ATOM 0 HB3 PRO A 50 -21.552 -7.336 -16.288 1.00 53.12 H new ATOM 0 HG2 PRO A 50 -18.809 -8.434 -16.366 1.00 21.30 H new ATOM 0 HG3 PRO A 50 -19.994 -8.347 -17.654 1.00 21.30 H new ATOM 0 HD2 PRO A 50 -17.706 -6.652 -17.310 1.00 14.34 H new ATOM 0 HD3 PRO A 50 -18.953 -6.495 -18.531 1.00 14.34 H new ATOM 789 N MET A 51 -20.270 -5.494 -13.243 1.00 31.31 N ATOM 790 CA MET A 51 -19.730 -5.287 -11.910 1.00 34.22 C ATOM 791 C MET A 51 -18.642 -6.315 -11.593 1.00 34.30 C ATOM 792 O MET A 51 -18.697 -7.449 -12.068 1.00 13.24 O ATOM 793 CB MET A 51 -20.856 -5.401 -10.880 1.00 10.01 C ATOM 794 CG MET A 51 -20.343 -5.094 -9.471 1.00 73.23 C ATOM 795 SD MET A 51 -21.692 -5.156 -8.304 1.00 31.13 S ATOM 796 CE MET A 51 -21.543 -6.846 -7.747 1.00 42.51 C ATOM 0 H MET A 51 -21.286 -5.572 -13.284 1.00 31.31 H new ATOM 0 HA MET A 51 -19.286 -4.292 -11.868 1.00 34.22 H new ATOM 0 HB2 MET A 51 -21.660 -4.711 -11.137 1.00 10.01 H new ATOM 0 HB3 MET A 51 -21.278 -6.406 -10.907 1.00 10.01 H new ATOM 0 HG2 MET A 51 -19.575 -5.814 -9.190 1.00 73.23 H new ATOM 0 HG3 MET A 51 -19.879 -4.108 -9.451 1.00 73.23 H new ATOM 0 HE1 MET A 51 -22.316 -7.055 -7.008 1.00 42.51 H new ATOM 0 HE2 MET A 51 -21.660 -7.520 -8.595 1.00 42.51 H new ATOM 0 HE3 MET A 51 -20.561 -6.996 -7.297 1.00 42.51 H new ATOM 806 N GLY A 52 -17.679 -5.883 -10.793 1.00 11.42 N ATOM 807 CA GLY A 52 -16.580 -6.751 -10.407 1.00 31.20 C ATOM 808 C GLY A 52 -15.516 -6.810 -11.505 1.00 74.52 C ATOM 809 O GLY A 52 -14.468 -7.428 -11.326 1.00 61.22 O ATOM 0 H GLY A 52 -17.637 -4.942 -10.401 1.00 11.42 H new ATOM 0 HA2 GLY A 52 -16.133 -6.388 -9.482 1.00 31.20 H new ATOM 0 HA3 GLY A 52 -16.957 -7.754 -10.207 1.00 31.20 H new ATOM 813 N THR A 53 -15.823 -6.160 -12.618 1.00 13.44 N ATOM 814 CA THR A 53 -14.907 -6.130 -13.745 1.00 22.42 C ATOM 815 C THR A 53 -13.943 -4.949 -13.618 1.00 51.10 C ATOM 816 O THR A 53 -14.360 -3.793 -13.680 1.00 72.52 O ATOM 817 CB THR A 53 -15.738 -6.102 -15.029 1.00 43.31 C ATOM 818 OG1 THR A 53 -16.593 -7.235 -14.914 1.00 75.24 O ATOM 819 CG2 THR A 53 -14.899 -6.392 -16.276 1.00 33.54 C ATOM 0 H THR A 53 -16.694 -5.650 -12.763 1.00 13.44 H new ATOM 0 HA THR A 53 -14.278 -7.020 -13.768 1.00 22.42 H new ATOM 0 HB THR A 53 -16.215 -5.127 -15.131 1.00 43.31 H new ATOM 0 HG1 THR A 53 -17.437 -6.967 -14.494 1.00 75.24 H new ATOM 0 HG21 THR A 53 -15.537 -6.360 -17.159 1.00 33.54 H new ATOM 0 HG22 THR A 53 -14.113 -5.642 -16.368 1.00 33.54 H new ATOM 0 HG23 THR A 53 -14.448 -7.381 -16.190 1.00 33.54 H new ATOM 827 N THR A 54 -12.672 -5.280 -13.443 1.00 11.54 N ATOM 828 CA THR A 54 -11.646 -4.260 -13.306 1.00 64.25 C ATOM 829 C THR A 54 -11.766 -3.229 -14.430 1.00 63.13 C ATOM 830 O THR A 54 -12.106 -3.574 -15.561 1.00 20.42 O ATOM 831 CB THR A 54 -10.286 -4.961 -13.267 1.00 50.32 C ATOM 832 OG1 THR A 54 -10.327 -5.732 -12.070 1.00 34.20 O ATOM 833 CG2 THR A 54 -9.130 -3.984 -13.041 1.00 53.22 C ATOM 0 H THR A 54 -12.329 -6.239 -13.393 1.00 11.54 H new ATOM 0 HA THR A 54 -11.766 -3.699 -12.379 1.00 64.25 H new ATOM 0 HB THR A 54 -10.129 -5.500 -14.201 1.00 50.32 H new ATOM 0 HG1 THR A 54 -9.789 -6.543 -12.185 1.00 34.20 H new ATOM 0 HG21 THR A 54 -8.188 -4.533 -13.022 1.00 53.22 H new ATOM 0 HG22 THR A 54 -9.108 -3.253 -13.850 1.00 53.22 H new ATOM 0 HG23 THR A 54 -9.269 -3.469 -12.090 1.00 53.22 H new ATOM 841 N LEU A 55 -11.480 -1.984 -14.080 1.00 44.44 N ATOM 842 CA LEU A 55 -11.551 -0.900 -15.046 1.00 13.24 C ATOM 843 C LEU A 55 -10.230 -0.817 -15.812 1.00 63.00 C ATOM 844 O LEU A 55 -9.157 -0.841 -15.211 1.00 22.11 O ATOM 845 CB LEU A 55 -11.945 0.408 -14.355 1.00 23.51 C ATOM 846 CG LEU A 55 -13.292 1.005 -14.767 1.00 63.10 C ATOM 847 CD1 LEU A 55 -13.493 0.910 -16.281 1.00 34.04 C ATOM 848 CD2 LEU A 55 -14.440 0.354 -13.994 1.00 21.53 C ATOM 0 H LEU A 55 -11.199 -1.701 -13.141 1.00 44.44 H new ATOM 0 HA LEU A 55 -12.333 -1.095 -15.780 1.00 13.24 H new ATOM 0 HB2 LEU A 55 -11.960 0.237 -13.279 1.00 23.51 H new ATOM 0 HB3 LEU A 55 -11.168 1.147 -14.550 1.00 23.51 H new ATOM 0 HG LEU A 55 -13.290 2.064 -14.508 1.00 63.10 H new ATOM 0 HD11 LEU A 55 -14.458 1.341 -16.548 1.00 34.04 H new ATOM 0 HD12 LEU A 55 -12.698 1.457 -16.789 1.00 34.04 H new ATOM 0 HD13 LEU A 55 -13.466 -0.136 -16.587 1.00 34.04 H new ATOM 0 HD21 LEU A 55 -15.386 0.797 -14.306 1.00 21.53 H new ATOM 0 HD22 LEU A 55 -14.455 -0.717 -14.199 1.00 21.53 H new ATOM 0 HD23 LEU A 55 -14.298 0.517 -12.926 1.00 21.53 H new ATOM 860 N MET A 56 -10.351 -0.721 -17.128 1.00 24.11 N ATOM 861 CA MET A 56 -9.179 -0.635 -17.983 1.00 1.42 C ATOM 862 C MET A 56 -9.197 0.653 -18.810 1.00 33.43 C ATOM 863 O MET A 56 -10.264 1.187 -19.109 1.00 2.31 O ATOM 864 CB MET A 56 -9.140 -1.843 -18.920 1.00 73.21 C ATOM 865 CG MET A 56 -9.179 -3.152 -18.129 1.00 24.13 C ATOM 866 SD MET A 56 -7.518 -3.735 -17.832 1.00 62.23 S ATOM 867 CE MET A 56 -7.586 -3.980 -16.066 1.00 21.05 C ATOM 0 H MET A 56 -11.243 -0.701 -17.623 1.00 24.11 H new ATOM 0 HA MET A 56 -8.291 -0.626 -17.351 1.00 1.42 H new ATOM 0 HB2 MET A 56 -9.986 -1.803 -19.606 1.00 73.21 H new ATOM 0 HB3 MET A 56 -8.235 -1.808 -19.527 1.00 73.21 H new ATOM 0 HG2 MET A 56 -9.694 -2.998 -17.181 1.00 24.13 H new ATOM 0 HG3 MET A 56 -9.744 -3.903 -18.681 1.00 24.13 H new ATOM 0 HE1 MET A 56 -6.577 -3.943 -15.654 1.00 21.05 H new ATOM 0 HE2 MET A 56 -8.192 -3.196 -15.613 1.00 21.05 H new ATOM 0 HE3 MET A 56 -8.030 -4.952 -15.850 1.00 21.05 H new ATOM 877 N PRO A 57 -7.972 1.125 -19.165 1.00 14.22 N ATOM 878 CA PRO A 57 -7.838 2.340 -19.951 1.00 61.52 C ATOM 879 C PRO A 57 -8.204 2.088 -21.415 1.00 64.15 C ATOM 880 O PRO A 57 -8.324 3.028 -22.199 1.00 51.13 O ATOM 881 CB PRO A 57 -6.392 2.770 -19.766 1.00 12.34 C ATOM 882 CG PRO A 57 -5.652 1.541 -19.266 1.00 23.52 C ATOM 883 CD PRO A 57 -6.688 0.518 -18.828 1.00 41.32 C ATOM 0 HA PRO A 57 -8.518 3.128 -19.628 1.00 61.52 H new ATOM 0 HB2 PRO A 57 -5.968 3.126 -20.705 1.00 12.34 H new ATOM 0 HB3 PRO A 57 -6.317 3.589 -19.051 1.00 12.34 H new ATOM 0 HG2 PRO A 57 -5.019 1.130 -20.053 1.00 23.52 H new ATOM 0 HG3 PRO A 57 -4.998 1.802 -18.434 1.00 23.52 H new ATOM 0 HD2 PRO A 57 -6.551 -0.431 -19.345 1.00 41.32 H new ATOM 0 HD3 PRO A 57 -6.615 0.312 -17.760 1.00 41.32 H new ATOM 891 N ASP A 58 -8.370 0.814 -21.740 1.00 52.20 N ATOM 892 CA ASP A 58 -8.720 0.427 -23.096 1.00 61.02 C ATOM 893 C ASP A 58 -10.204 0.061 -23.151 1.00 15.13 C ATOM 894 O ASP A 58 -10.687 -0.439 -24.166 1.00 14.35 O ATOM 895 CB ASP A 58 -7.915 -0.794 -23.545 1.00 72.30 C ATOM 896 CG ASP A 58 -6.928 -1.335 -22.508 1.00 74.24 C ATOM 897 OD1 ASP A 58 -5.951 -0.664 -22.146 1.00 11.23 O ATOM 898 OD2 ASP A 58 -7.199 -2.515 -22.062 1.00 43.00 O ATOM 0 H ASP A 58 -8.269 0.037 -21.087 1.00 52.20 H new ATOM 0 HA ASP A 58 -8.499 1.267 -23.754 1.00 61.02 H new ATOM 0 HB2 ASP A 58 -8.610 -1.590 -23.813 1.00 72.30 H new ATOM 0 HB3 ASP A 58 -7.363 -0.535 -24.449 1.00 72.30 H new ATOM 904 N MET A 59 -10.887 0.324 -22.046 1.00 40.41 N ATOM 905 CA MET A 59 -12.307 0.029 -21.955 1.00 42.13 C ATOM 906 C MET A 59 -13.113 1.296 -21.660 1.00 25.22 C ATOM 907 O MET A 59 -14.296 1.221 -21.333 1.00 22.15 O ATOM 908 CB MET A 59 -12.545 -0.998 -20.846 1.00 41.24 C ATOM 909 CG MET A 59 -12.030 -2.379 -21.258 1.00 53.33 C ATOM 910 SD MET A 59 -12.630 -3.618 -20.122 1.00 2.52 S ATOM 911 CE MET A 59 -12.505 -2.716 -18.586 1.00 64.02 C ATOM 0 H MET A 59 -10.483 0.738 -21.206 1.00 40.41 H new ATOM 0 HA MET A 59 -12.637 -0.374 -22.912 1.00 42.13 H new ATOM 0 HB2 MET A 59 -12.043 -0.676 -19.934 1.00 41.24 H new ATOM 0 HB3 MET A 59 -13.610 -1.055 -20.621 1.00 41.24 H new ATOM 0 HG2 MET A 59 -12.360 -2.612 -22.270 1.00 53.33 H new ATOM 0 HG3 MET A 59 -10.940 -2.381 -21.269 1.00 53.33 H new ATOM 0 HE1 MET A 59 -12.026 -3.343 -17.834 1.00 64.02 H new ATOM 0 HE2 MET A 59 -11.910 -1.816 -18.740 1.00 64.02 H new ATOM 0 HE3 MET A 59 -13.502 -2.438 -18.245 1.00 64.02 H new ATOM 921 N VAL A 60 -12.439 2.430 -21.786 1.00 32.20 N ATOM 922 CA VAL A 60 -13.078 3.711 -21.537 1.00 3.14 C ATOM 923 C VAL A 60 -12.963 4.585 -22.787 1.00 5.31 C ATOM 924 O VAL A 60 -11.916 4.616 -23.433 1.00 74.01 O ATOM 925 CB VAL A 60 -12.472 4.364 -20.293 1.00 11.24 C ATOM 926 CG1 VAL A 60 -13.076 5.749 -20.052 1.00 3.24 C ATOM 927 CG2 VAL A 60 -12.645 3.469 -19.064 1.00 14.01 C ATOM 0 H VAL A 60 -11.457 2.488 -22.057 1.00 32.20 H new ATOM 0 HA VAL A 60 -14.140 3.575 -21.332 1.00 3.14 H new ATOM 0 HB VAL A 60 -11.403 4.490 -20.468 1.00 11.24 H new ATOM 0 HG11 VAL A 60 -12.628 6.191 -19.162 1.00 3.24 H new ATOM 0 HG12 VAL A 60 -12.878 6.387 -20.913 1.00 3.24 H new ATOM 0 HG13 VAL A 60 -14.153 5.657 -19.909 1.00 3.24 H new ATOM 0 HG21 VAL A 60 -12.206 3.957 -18.194 1.00 14.01 H new ATOM 0 HG22 VAL A 60 -13.706 3.297 -18.886 1.00 14.01 H new ATOM 0 HG23 VAL A 60 -12.146 2.515 -19.236 1.00 14.01 H new ATOM 937 N LYS A 61 -14.053 5.275 -23.090 1.00 65.34 N ATOM 938 CA LYS A 61 -14.087 6.147 -24.252 1.00 10.22 C ATOM 939 C LYS A 61 -13.635 7.551 -23.844 1.00 25.43 C ATOM 940 O LYS A 61 -13.845 7.968 -22.706 1.00 54.31 O ATOM 941 CB LYS A 61 -15.469 6.113 -24.907 1.00 33.12 C ATOM 942 CG LYS A 61 -15.509 5.097 -26.050 1.00 73.21 C ATOM 943 CD LYS A 61 -16.668 4.114 -25.869 1.00 64.45 C ATOM 944 CE LYS A 61 -18.014 4.805 -26.094 1.00 43.22 C ATOM 945 NZ LYS A 61 -18.382 5.619 -24.914 1.00 44.11 N ATOM 0 H LYS A 61 -14.919 5.248 -22.551 1.00 65.34 H new ATOM 0 HA LYS A 61 -13.390 5.795 -25.013 1.00 10.22 H new ATOM 0 HB2 LYS A 61 -16.222 5.857 -24.162 1.00 33.12 H new ATOM 0 HB3 LYS A 61 -15.720 7.103 -25.287 1.00 33.12 H new ATOM 0 HG2 LYS A 61 -15.615 5.618 -27.001 1.00 73.21 H new ATOM 0 HG3 LYS A 61 -14.567 4.551 -26.089 1.00 73.21 H new ATOM 0 HD2 LYS A 61 -16.559 3.285 -26.569 1.00 64.45 H new ATOM 0 HD3 LYS A 61 -16.636 3.690 -24.865 1.00 64.45 H new ATOM 0 HE2 LYS A 61 -17.960 5.440 -26.979 1.00 43.22 H new ATOM 0 HE3 LYS A 61 -18.786 4.059 -26.283 1.00 43.22 H new ATOM 0 HZ1 LYS A 61 -19.418 5.673 -24.839 1.00 44.11 H new ATOM 0 HZ2 LYS A 61 -17.995 5.180 -24.055 1.00 44.11 H new ATOM 0 HZ3 LYS A 61 -17.992 6.578 -25.018 1.00 44.11 H new ATOM 958 N GLY A 62 -13.021 8.240 -24.794 1.00 62.34 N ATOM 959 CA GLY A 62 -12.537 9.587 -24.548 1.00 42.41 C ATOM 960 C GLY A 62 -11.567 9.614 -23.365 1.00 65.13 C ATOM 961 O GLY A 62 -11.307 10.672 -22.794 1.00 72.02 O ATOM 0 H GLY A 62 -12.848 7.890 -25.736 1.00 62.34 H new ATOM 0 HA2 GLY A 62 -12.039 9.967 -25.440 1.00 42.41 H new ATOM 0 HA3 GLY A 62 -13.379 10.249 -24.347 1.00 42.41 H new ATOM 965 N TYR A 63 -11.057 8.437 -23.033 1.00 2.12 N ATOM 966 CA TYR A 63 -10.121 8.312 -21.928 1.00 62.04 C ATOM 967 C TYR A 63 -8.703 8.687 -22.366 1.00 33.23 C ATOM 968 O TYR A 63 -8.460 8.941 -23.544 1.00 54.14 O ATOM 969 CB TYR A 63 -10.143 6.837 -21.522 1.00 10.22 C ATOM 970 CG TYR A 63 -9.164 6.486 -20.400 1.00 12.45 C ATOM 971 CD1 TYR A 63 -9.554 6.606 -19.081 1.00 14.20 C ATOM 972 CD2 TYR A 63 -7.891 6.050 -20.705 1.00 52.14 C ATOM 973 CE1 TYR A 63 -8.633 6.276 -18.025 1.00 31.03 C ATOM 974 CE2 TYR A 63 -6.970 5.720 -19.649 1.00 60.11 C ATOM 975 CZ TYR A 63 -7.386 5.849 -18.361 1.00 14.01 C ATOM 976 OH TYR A 63 -6.516 5.537 -17.363 1.00 53.22 O ATOM 0 H TYR A 63 -11.274 7.562 -23.509 1.00 2.12 H new ATOM 0 HA TYR A 63 -10.402 8.975 -21.110 1.00 62.04 H new ATOM 0 HB2 TYR A 63 -11.152 6.573 -21.206 1.00 10.22 H new ATOM 0 HB3 TYR A 63 -9.913 6.227 -22.395 1.00 10.22 H new ATOM 0 HD1 TYR A 63 -10.550 6.947 -18.841 1.00 14.20 H new ATOM 0 HD2 TYR A 63 -7.585 5.956 -21.737 1.00 52.14 H new ATOM 0 HE1 TYR A 63 -8.926 6.365 -16.989 1.00 31.03 H new ATOM 0 HE2 TYR A 63 -5.971 5.378 -19.875 1.00 60.11 H new ATOM 0 HH TYR A 63 -6.722 6.074 -16.570 1.00 53.22 H new ATOM 986 N ALA A 64 -7.805 8.709 -21.393 1.00 4.35 N ATOM 987 CA ALA A 64 -6.418 9.049 -21.662 1.00 62.22 C ATOM 988 C ALA A 64 -5.652 9.136 -20.340 1.00 53.14 C ATOM 989 O ALA A 64 -6.251 9.330 -19.284 1.00 32.33 O ATOM 990 CB ALA A 64 -6.357 10.354 -22.458 1.00 71.25 C ATOM 0 H ALA A 64 -8.010 8.497 -20.417 1.00 4.35 H new ATOM 0 HA ALA A 64 -5.944 8.276 -22.267 1.00 62.22 H new ATOM 0 HB1 ALA A 64 -5.317 10.609 -22.660 1.00 71.25 H new ATOM 0 HB2 ALA A 64 -6.890 10.230 -23.401 1.00 71.25 H new ATOM 0 HB3 ALA A 64 -6.821 11.154 -21.881 1.00 71.25 H new ATOM 996 N PRO A 65 -4.305 8.985 -20.446 1.00 2.25 N ATOM 997 CA PRO A 65 -3.451 9.045 -19.271 1.00 51.03 C ATOM 998 C PRO A 65 -3.287 10.487 -18.786 1.00 24.42 C ATOM 999 O PRO A 65 -4.073 11.361 -19.147 1.00 33.43 O ATOM 1000 CB PRO A 65 -2.140 8.411 -19.706 1.00 3.24 C ATOM 1001 CG PRO A 65 -2.145 8.443 -21.225 1.00 64.33 C ATOM 1002 CD PRO A 65 -3.561 8.754 -21.680 1.00 41.54 C ATOM 0 HA PRO A 65 -3.871 8.513 -18.417 1.00 51.03 H new ATOM 0 HB2 PRO A 65 -1.288 8.962 -19.307 1.00 3.24 H new ATOM 0 HB3 PRO A 65 -2.059 7.388 -19.337 1.00 3.24 H new ATOM 0 HG2 PRO A 65 -1.451 9.199 -21.593 1.00 64.33 H new ATOM 0 HG3 PRO A 65 -1.816 7.485 -21.628 1.00 64.33 H new ATOM 0 HD2 PRO A 65 -3.585 9.631 -22.327 1.00 41.54 H new ATOM 0 HD3 PRO A 65 -3.985 7.926 -22.249 1.00 41.54 H new ATOM 1010 N ALA A 66 -2.259 10.690 -17.975 1.00 1.52 N ATOM 1011 CA ALA A 66 -1.981 12.011 -17.436 1.00 40.13 C ATOM 1012 C ALA A 66 -0.582 12.451 -17.872 1.00 24.54 C ATOM 1013 O ALA A 66 0.044 13.282 -17.216 1.00 12.32 O ATOM 1014 CB ALA A 66 -2.137 11.985 -15.915 1.00 0.25 C ATOM 0 H ALA A 66 -1.609 9.962 -17.678 1.00 1.52 H new ATOM 0 HA ALA A 66 -2.692 12.741 -17.824 1.00 40.13 H new ATOM 0 HB1 ALA A 66 -1.928 12.976 -15.511 1.00 0.25 H new ATOM 0 HB2 ALA A 66 -3.156 11.696 -15.659 1.00 0.25 H new ATOM 0 HB3 ALA A 66 -1.438 11.265 -15.490 1.00 0.25 H new TER 1020 ALA A 66