USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=22 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 -150:sc= -1.43 USER MOD Set 1.2: A 21 MET CE :methyl -103:sc= -1.41 (180deg=-2.62!) USER MOD Set 2.1: A 14 ASN : amide:sc= -1.09 K(o=-0.84,f=-6.5!) USER MOD Set 2.2: A 44 GLN : amide:sc=-0.00437 X(o=-0.84,f=-0.94) USER MOD Set 2.3: A 61 LYS NZ :NH3+ 141:sc= 0.257 (180deg=-0.814) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 150:sc= -0.147 (180deg=-0.947) USER MOD Single : A 1 ASN : amide:sc= -0.0371 X(o=-0.037,f=-0.025) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.925 F(o=-3.2,f=-0.92) USER MOD Single : A 4 SER OG : rot -93:sc= -0.5 USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0698 F(o=-0.58,f=-0.07) USER MOD Single : A 15 THR OG1 : rot -60:sc= -2.07 USER MOD Single : A 22 MET CE :methyl -168:sc= -3.92! (180deg=-4.38!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.107! USER MOD Single : A 24 THR OG1 : rot 160:sc= 0.822 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0161 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -131:sc= -5.44! (180deg=-11.6!) USER MOD Single : A 46 ASN : amide:sc= -7.72! C(o=-7.7!,f=-8.4!) USER MOD Single : A 47 GLN :FLIP amide:sc= -1.11 F(o=-2.4!,f=-1.1) USER MOD Single : A 51 MET CE :methyl 172:sc= -3.24! (180deg=-3.51!) USER MOD Single : A 53 THR OG1 : rot 98:sc= 1.18 USER MOD Single : A 54 THR OG1 : rot 147:sc= -5.59! USER MOD Single : A 56 MET CE :methyl -167:sc= -5.78! (180deg=-6.3!) USER MOD Single : A 59 MET CE :methyl 175:sc= -5.75 (180deg=-5.88) USER MOD Single : A 63 TYR OH : rot 150:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 2.593 -0.901 -0.088 1.00 54.14 N ATOM 2 CA MET A 0 2.164 -0.243 -1.311 1.00 3.31 C ATOM 3 C MET A 0 1.315 -1.181 -2.171 1.00 21.35 C ATOM 4 O MET A 0 1.797 -2.216 -2.628 1.00 23.32 O ATOM 5 CB MET A 0 3.392 0.207 -2.106 1.00 11.13 C ATOM 6 CG MET A 0 4.218 -0.996 -2.567 1.00 14.25 C ATOM 7 SD MET A 0 5.925 -0.520 -2.776 1.00 2.03 S ATOM 8 CE MET A 0 5.843 0.227 -4.395 1.00 13.23 C ATOM 0 H1 MET A 0 3.509 -0.511 0.214 1.00 54.14 H new ATOM 0 H2 MET A 0 1.886 -0.742 0.658 1.00 54.14 H new ATOM 0 H3 MET A 0 2.692 -1.922 -0.259 1.00 54.14 H new ATOM 0 HA MET A 0 1.557 0.621 -1.042 1.00 3.31 H new ATOM 0 HB2 MET A 0 3.076 0.789 -2.972 1.00 11.13 H new ATOM 0 HB3 MET A 0 4.009 0.861 -1.490 1.00 11.13 H new ATOM 0 HG2 MET A 0 4.143 -1.801 -1.836 1.00 14.25 H new ATOM 0 HG3 MET A 0 3.822 -1.381 -3.506 1.00 14.25 H new ATOM 0 HE1 MET A 0 6.833 0.582 -4.683 1.00 13.23 H new ATOM 0 HE2 MET A 0 5.497 -0.511 -5.119 1.00 13.23 H new ATOM 0 HE3 MET A 0 5.149 1.067 -4.373 1.00 13.23 H new ATOM 18 N ASN A 1 0.066 -0.786 -2.364 1.00 55.14 N ATOM 19 CA ASN A 1 -0.855 -1.579 -3.161 1.00 13.10 C ATOM 20 C ASN A 1 -1.549 -0.675 -4.182 1.00 1.42 C ATOM 21 O ASN A 1 -2.264 0.254 -3.809 1.00 3.41 O ATOM 22 CB ASN A 1 -1.935 -2.216 -2.284 1.00 24.13 C ATOM 23 CG ASN A 1 -1.330 -2.791 -1.001 1.00 61.12 C ATOM 24 OD1 ASN A 1 -0.590 -3.761 -1.014 1.00 5.24 O ATOM 25 ND2 ASN A 1 -1.685 -2.141 0.103 1.00 34.12 N ATOM 0 H ASN A 1 -0.331 0.073 -1.982 1.00 55.14 H new ATOM 0 HA ASN A 1 -0.282 -2.363 -3.656 1.00 13.10 H new ATOM 0 HB2 ASN A 1 -2.690 -1.471 -2.032 1.00 24.13 H new ATOM 0 HB3 ASN A 1 -2.440 -3.007 -2.839 1.00 24.13 H new ATOM 0 HD21 ASN A 1 -1.334 -2.447 1.010 1.00 34.12 H new ATOM 0 HD22 ASN A 1 -2.308 -1.336 0.043 1.00 34.12 H new ATOM 32 N GLN A 2 -1.313 -0.978 -5.450 1.00 35.12 N ATOM 33 CA GLN A 2 -1.907 -0.204 -6.527 1.00 63.32 C ATOM 34 C GLN A 2 -3.400 -0.516 -6.645 1.00 62.52 C ATOM 35 O GLN A 2 -3.778 -1.608 -7.068 1.00 1.01 O ATOM 36 CB GLN A 2 -1.186 -0.465 -7.851 1.00 63.31 C ATOM 37 CG GLN A 2 -1.865 0.280 -9.002 1.00 2.44 C ATOM 38 CD GLN A 2 -2.208 1.716 -8.598 1.00 20.22 C ATOM 39 OE1 GLN A 2 -3.512 1.975 -8.577 1.00 75.13 O flip ATOM 40 NE2 GLN A 2 -1.345 2.534 -8.323 1.00 73.21 N flip ATOM 0 H GLN A 2 -0.719 -1.749 -5.756 1.00 35.12 H new ATOM 0 HA GLN A 2 -1.795 0.854 -6.292 1.00 63.32 H new ATOM 0 HB2 GLN A 2 -0.146 -0.148 -7.771 1.00 63.31 H new ATOM 0 HB3 GLN A 2 -1.178 -1.535 -8.060 1.00 63.31 H new ATOM 0 HG2 GLN A 2 -1.208 0.290 -9.872 1.00 2.44 H new ATOM 0 HG3 GLN A 2 -2.773 -0.246 -9.295 1.00 2.44 H new ATOM 0 HE21 GLN A 2 -0.361 2.269 -8.359 1.00 73.21 H new ATOM 0 HE22 GLN A 2 -1.608 3.483 -8.057 1.00 73.21 H new ATOM 49 N GLU A 3 -4.208 0.462 -6.264 1.00 32.41 N ATOM 50 CA GLU A 3 -5.652 0.305 -6.322 1.00 23.23 C ATOM 51 C GLU A 3 -6.175 0.711 -7.701 1.00 21.01 C ATOM 52 O GLU A 3 -6.043 1.866 -8.104 1.00 24.44 O ATOM 53 CB GLU A 3 -6.335 1.112 -5.216 1.00 75.05 C ATOM 54 CG GLU A 3 -6.780 0.203 -4.068 1.00 45.15 C ATOM 55 CD GLU A 3 -7.922 0.841 -3.275 1.00 24.23 C ATOM 56 OE1 GLU A 3 -8.213 2.032 -3.457 1.00 14.23 O ATOM 57 OE2 GLU A 3 -8.515 0.052 -2.444 1.00 53.04 O ATOM 0 H GLU A 3 -3.891 1.366 -5.914 1.00 32.41 H new ATOM 0 HA GLU A 3 -5.891 -0.746 -6.160 1.00 23.23 H new ATOM 0 HB2 GLU A 3 -5.650 1.871 -4.839 1.00 75.05 H new ATOM 0 HB3 GLU A 3 -7.199 1.637 -5.624 1.00 75.05 H new ATOM 0 HG2 GLU A 3 -7.102 -0.760 -4.465 1.00 45.15 H new ATOM 0 HG3 GLU A 3 -5.937 0.009 -3.405 1.00 45.15 H new ATOM 65 N SER A 4 -6.758 -0.261 -8.387 1.00 52.10 N ATOM 66 CA SER A 4 -7.302 -0.019 -9.713 1.00 1.04 C ATOM 67 C SER A 4 -8.825 0.107 -9.638 1.00 41.05 C ATOM 68 O SER A 4 -9.453 -0.437 -8.731 1.00 40.43 O ATOM 69 CB SER A 4 -6.908 -1.136 -10.682 1.00 12.35 C ATOM 70 OG SER A 4 -5.507 -1.392 -10.660 1.00 4.13 O ATOM 0 H SER A 4 -6.866 -1.218 -8.050 1.00 52.10 H new ATOM 0 HA SER A 4 -6.885 0.915 -10.089 1.00 1.04 H new ATOM 0 HB2 SER A 4 -7.447 -2.047 -10.423 1.00 12.35 H new ATOM 0 HB3 SER A 4 -7.211 -0.863 -11.693 1.00 12.35 H new ATOM 0 HG SER A 4 -5.067 -0.863 -11.358 1.00 4.13 H new ATOM 76 N VAL A 5 -9.375 0.827 -10.605 1.00 2.30 N ATOM 77 CA VAL A 5 -10.812 1.032 -10.661 1.00 33.33 C ATOM 78 C VAL A 5 -11.507 -0.316 -10.868 1.00 0.25 C ATOM 79 O VAL A 5 -11.062 -1.130 -11.675 1.00 32.10 O ATOM 80 CB VAL A 5 -11.154 2.053 -11.747 1.00 41.43 C ATOM 81 CG1 VAL A 5 -12.668 2.182 -11.922 1.00 14.31 C ATOM 82 CG2 VAL A 5 -10.520 3.412 -11.442 1.00 25.45 C ATOM 0 H VAL A 5 -8.851 1.276 -11.356 1.00 2.30 H new ATOM 0 HA VAL A 5 -11.175 1.445 -9.720 1.00 33.33 H new ATOM 0 HB VAL A 5 -10.738 1.692 -12.688 1.00 41.43 H new ATOM 0 HG11 VAL A 5 -12.883 2.914 -12.700 1.00 14.31 H new ATOM 0 HG12 VAL A 5 -13.085 1.216 -12.207 1.00 14.31 H new ATOM 0 HG13 VAL A 5 -13.116 2.508 -10.983 1.00 14.31 H new ATOM 0 HG21 VAL A 5 -10.779 4.119 -12.230 1.00 25.45 H new ATOM 0 HG22 VAL A 5 -10.892 3.781 -10.486 1.00 25.45 H new ATOM 0 HG23 VAL A 5 -9.436 3.305 -11.392 1.00 25.45 H new ATOM 92 N VAL A 6 -12.586 -0.509 -10.124 1.00 33.21 N ATOM 93 CA VAL A 6 -13.347 -1.744 -10.216 1.00 1.15 C ATOM 94 C VAL A 6 -14.834 -1.413 -10.352 1.00 13.32 C ATOM 95 O VAL A 6 -15.393 -0.695 -9.523 1.00 63.42 O ATOM 96 CB VAL A 6 -13.041 -2.637 -9.012 1.00 32.44 C ATOM 97 CG1 VAL A 6 -13.763 -3.981 -9.129 1.00 34.03 C ATOM 98 CG2 VAL A 6 -11.533 -2.838 -8.846 1.00 54.43 C ATOM 0 H VAL A 6 -12.952 0.169 -9.455 1.00 33.21 H new ATOM 0 HA VAL A 6 -13.057 -2.306 -11.104 1.00 1.15 H new ATOM 0 HB VAL A 6 -13.412 -2.133 -8.119 1.00 32.44 H new ATOM 0 HG11 VAL A 6 -13.529 -4.597 -8.261 1.00 34.03 H new ATOM 0 HG12 VAL A 6 -14.839 -3.813 -9.175 1.00 34.03 H new ATOM 0 HG13 VAL A 6 -13.436 -4.492 -10.035 1.00 34.03 H new ATOM 0 HG21 VAL A 6 -11.344 -3.476 -7.983 1.00 54.43 H new ATOM 0 HG22 VAL A 6 -11.128 -3.309 -9.742 1.00 54.43 H new ATOM 0 HG23 VAL A 6 -11.052 -1.872 -8.695 1.00 54.43 H new ATOM 108 N ALA A 7 -15.434 -1.951 -11.404 1.00 23.14 N ATOM 109 CA ALA A 7 -16.846 -1.722 -11.659 1.00 44.32 C ATOM 110 C ALA A 7 -17.645 -2.025 -10.390 1.00 60.13 C ATOM 111 O ALA A 7 -17.838 -3.187 -10.037 1.00 21.30 O ATOM 112 CB ALA A 7 -17.294 -2.573 -12.848 1.00 72.35 C ATOM 0 H ALA A 7 -14.968 -2.545 -12.090 1.00 23.14 H new ATOM 0 HA ALA A 7 -17.025 -0.679 -11.919 1.00 44.32 H new ATOM 0 HB1 ALA A 7 -18.353 -2.402 -13.040 1.00 72.35 H new ATOM 0 HB2 ALA A 7 -16.716 -2.298 -13.730 1.00 72.35 H new ATOM 0 HB3 ALA A 7 -17.132 -3.627 -12.623 1.00 72.35 H new ATOM 118 N ALA A 8 -18.088 -0.959 -9.740 1.00 35.52 N ATOM 119 CA ALA A 8 -18.863 -1.097 -8.518 1.00 24.11 C ATOM 120 C ALA A 8 -20.172 -1.825 -8.828 1.00 53.42 C ATOM 121 O ALA A 8 -20.734 -2.495 -7.963 1.00 54.52 O ATOM 122 CB ALA A 8 -19.095 0.284 -7.902 1.00 44.10 C ATOM 0 H ALA A 8 -17.925 0.003 -10.036 1.00 35.52 H new ATOM 0 HA ALA A 8 -18.320 -1.694 -7.785 1.00 24.11 H new ATOM 0 HB1 ALA A 8 -19.676 0.181 -6.986 1.00 44.10 H new ATOM 0 HB2 ALA A 8 -18.135 0.746 -7.673 1.00 44.10 H new ATOM 0 HB3 ALA A 8 -19.640 0.911 -8.608 1.00 44.10 H new ATOM 128 N GLN A 9 -20.620 -1.668 -10.065 1.00 71.22 N ATOM 129 CA GLN A 9 -21.853 -2.302 -10.500 1.00 52.15 C ATOM 130 C GLN A 9 -21.772 -2.656 -11.987 1.00 11.22 C ATOM 131 O GLN A 9 -20.791 -2.331 -12.653 1.00 42.23 O ATOM 132 CB GLN A 9 -23.060 -1.406 -10.215 1.00 73.22 C ATOM 133 CG GLN A 9 -22.710 -0.322 -9.194 1.00 23.43 C ATOM 134 CD GLN A 9 -23.953 0.473 -8.790 1.00 44.43 C ATOM 135 OE1 GLN A 9 -24.558 1.083 -9.806 1.00 4.23 O flip ATOM 136 NE2 GLN A 9 -24.337 0.530 -7.634 1.00 2.13 N flip ATOM 0 H GLN A 9 -20.151 -1.111 -10.780 1.00 71.22 H new ATOM 0 HA GLN A 9 -21.984 -3.224 -9.934 1.00 52.15 H new ATOM 0 HB2 GLN A 9 -23.400 -0.942 -11.141 1.00 73.22 H new ATOM 0 HB3 GLN A 9 -23.886 -2.011 -9.840 1.00 73.22 H new ATOM 0 HG2 GLN A 9 -22.264 -0.780 -8.311 1.00 23.43 H new ATOM 0 HG3 GLN A 9 -21.964 0.352 -9.615 1.00 23.43 H new ATOM 0 HE21 GLN A 9 -23.825 0.037 -6.902 1.00 2.13 H new ATOM 0 HE22 GLN A 9 -25.170 1.070 -7.399 1.00 2.13 H new ATOM 145 N LEU A 10 -22.817 -3.317 -12.463 1.00 21.34 N ATOM 146 CA LEU A 10 -22.876 -3.719 -13.858 1.00 12.22 C ATOM 147 C LEU A 10 -22.894 -2.471 -14.743 1.00 11.01 C ATOM 148 O LEU A 10 -23.921 -1.803 -14.860 1.00 65.42 O ATOM 149 CB LEU A 10 -24.060 -4.658 -14.095 1.00 74.11 C ATOM 150 CG LEU A 10 -24.436 -4.907 -15.557 1.00 75.22 C ATOM 151 CD1 LEU A 10 -23.580 -6.022 -16.161 1.00 74.11 C ATOM 152 CD2 LEU A 10 -25.933 -5.194 -15.697 1.00 41.23 C ATOM 0 H LEU A 10 -23.630 -3.584 -11.907 1.00 21.34 H new ATOM 0 HA LEU A 10 -21.987 -4.289 -14.128 1.00 12.22 H new ATOM 0 HB2 LEU A 10 -23.836 -5.618 -13.630 1.00 74.11 H new ATOM 0 HB3 LEU A 10 -24.930 -4.250 -13.581 1.00 74.11 H new ATOM 0 HG LEU A 10 -24.228 -3.999 -16.123 1.00 75.22 H new ATOM 0 HD11 LEU A 10 -23.868 -6.179 -17.201 1.00 74.11 H new ATOM 0 HD12 LEU A 10 -22.528 -5.739 -16.114 1.00 74.11 H new ATOM 0 HD13 LEU A 10 -23.733 -6.943 -15.599 1.00 74.11 H new ATOM 0 HD21 LEU A 10 -26.174 -5.367 -16.746 1.00 41.23 H new ATOM 0 HD22 LEU A 10 -26.190 -6.079 -15.115 1.00 41.23 H new ATOM 0 HD23 LEU A 10 -26.503 -4.340 -15.330 1.00 41.23 H new ATOM 164 N ILE A 11 -21.746 -2.194 -15.343 1.00 41.30 N ATOM 165 CA ILE A 11 -21.617 -1.038 -16.214 1.00 3.31 C ATOM 166 C ILE A 11 -21.730 -1.488 -17.672 1.00 4.11 C ATOM 167 O ILE A 11 -20.826 -2.137 -18.197 1.00 12.14 O ATOM 168 CB ILE A 11 -20.327 -0.275 -15.904 1.00 12.10 C ATOM 169 CG1 ILE A 11 -20.333 0.252 -14.467 1.00 75.34 C ATOM 170 CG2 ILE A 11 -20.093 0.842 -16.923 1.00 5.21 C ATOM 171 CD1 ILE A 11 -18.913 0.320 -13.902 1.00 53.23 C ATOM 0 H ILE A 11 -20.897 -2.750 -15.243 1.00 41.30 H new ATOM 0 HA ILE A 11 -22.428 -0.333 -16.034 1.00 3.31 H new ATOM 0 HB ILE A 11 -19.491 -0.969 -15.989 1.00 12.10 H new ATOM 0 HG12 ILE A 11 -20.786 1.243 -14.441 1.00 75.34 H new ATOM 0 HG13 ILE A 11 -20.947 -0.396 -13.841 1.00 75.34 H new ATOM 0 HG21 ILE A 11 -19.170 1.369 -16.680 1.00 5.21 H new ATOM 0 HG22 ILE A 11 -20.014 0.413 -17.922 1.00 5.21 H new ATOM 0 HG23 ILE A 11 -20.928 1.542 -16.894 1.00 5.21 H new ATOM 0 HD11 ILE A 11 -18.946 0.698 -12.880 1.00 53.23 H new ATOM 0 HD12 ILE A 11 -18.471 -0.677 -13.907 1.00 53.23 H new ATOM 0 HD13 ILE A 11 -18.309 0.987 -14.516 1.00 53.23 H new ATOM 183 N PRO A 12 -22.876 -1.116 -18.301 1.00 54.31 N ATOM 184 CA PRO A 12 -23.119 -1.474 -19.688 1.00 72.11 C ATOM 185 C PRO A 12 -22.280 -0.611 -20.632 1.00 60.05 C ATOM 186 O PRO A 12 -21.680 0.375 -20.209 1.00 3.51 O ATOM 187 CB PRO A 12 -24.615 -1.290 -19.886 1.00 42.51 C ATOM 188 CG PRO A 12 -25.079 -0.396 -18.748 1.00 2.44 C ATOM 189 CD PRO A 12 -23.968 -0.347 -17.711 1.00 52.31 C ATOM 0 HA PRO A 12 -22.824 -2.498 -19.916 1.00 72.11 H new ATOM 0 HB2 PRO A 12 -24.828 -0.834 -20.853 1.00 42.51 H new ATOM 0 HB3 PRO A 12 -25.133 -2.249 -19.865 1.00 42.51 H new ATOM 0 HG2 PRO A 12 -25.302 0.605 -19.116 1.00 2.44 H new ATOM 0 HG3 PRO A 12 -25.996 -0.785 -18.306 1.00 2.44 H new ATOM 0 HD2 PRO A 12 -23.664 0.679 -17.505 1.00 52.31 H new ATOM 0 HD3 PRO A 12 -24.291 -0.780 -16.764 1.00 52.31 H new ATOM 197 N ILE A 13 -22.265 -1.014 -21.895 1.00 12.24 N ATOM 198 CA ILE A 13 -21.510 -0.290 -22.903 1.00 3.55 C ATOM 199 C ILE A 13 -22.201 1.044 -23.192 1.00 15.24 C ATOM 200 O ILE A 13 -23.429 1.117 -23.223 1.00 21.10 O ATOM 201 CB ILE A 13 -21.305 -1.158 -24.145 1.00 63.13 C ATOM 202 CG1 ILE A 13 -20.451 -0.432 -25.187 1.00 55.32 C ATOM 203 CG2 ILE A 13 -22.646 -1.616 -24.721 1.00 70.34 C ATOM 204 CD1 ILE A 13 -20.422 -1.205 -26.507 1.00 51.33 C ATOM 0 H ILE A 13 -22.764 -1.833 -22.243 1.00 12.24 H new ATOM 0 HA ILE A 13 -20.510 -0.058 -22.536 1.00 3.55 H new ATOM 0 HB ILE A 13 -20.759 -2.054 -23.849 1.00 63.13 H new ATOM 0 HG12 ILE A 13 -20.850 0.568 -25.356 1.00 55.32 H new ATOM 0 HG13 ILE A 13 -19.436 -0.311 -24.810 1.00 55.32 H new ATOM 0 HG21 ILE A 13 -22.472 -2.232 -25.603 1.00 70.34 H new ATOM 0 HG22 ILE A 13 -23.184 -2.198 -23.973 1.00 70.34 H new ATOM 0 HG23 ILE A 13 -23.240 -0.745 -24.998 1.00 70.34 H new ATOM 0 HD11 ILE A 13 -19.808 -0.667 -27.230 1.00 51.33 H new ATOM 0 HD12 ILE A 13 -20.001 -2.196 -26.339 1.00 51.33 H new ATOM 0 HD13 ILE A 13 -21.436 -1.303 -26.894 1.00 51.33 H new ATOM 216 N ASN A 14 -21.384 2.066 -23.396 1.00 3.45 N ATOM 217 CA ASN A 14 -21.902 3.394 -23.681 1.00 24.30 C ATOM 218 C ASN A 14 -22.630 3.928 -22.447 1.00 14.44 C ATOM 219 O ASN A 14 -23.590 4.689 -22.568 1.00 64.24 O ATOM 220 CB ASN A 14 -22.899 3.358 -24.840 1.00 51.14 C ATOM 221 CG ASN A 14 -22.302 2.646 -26.056 1.00 31.43 C ATOM 222 OD1 ASN A 14 -21.098 2.580 -26.240 1.00 23.15 O ATOM 223 ND2 ASN A 14 -23.209 2.117 -26.873 1.00 1.35 N ATOM 0 H ASN A 14 -20.366 2.002 -23.370 1.00 3.45 H new ATOM 0 HA ASN A 14 -21.061 4.034 -23.948 1.00 24.30 H new ATOM 0 HB2 ASN A 14 -23.809 2.847 -24.526 1.00 51.14 H new ATOM 0 HB3 ASN A 14 -23.182 4.375 -25.112 1.00 51.14 H new ATOM 0 HD21 ASN A 14 -22.911 1.620 -27.712 1.00 1.35 H new ATOM 0 HD22 ASN A 14 -24.202 2.208 -26.660 1.00 1.35 H new ATOM 230 N THR A 15 -22.147 3.510 -21.286 1.00 74.21 N ATOM 231 CA THR A 15 -22.741 3.937 -20.030 1.00 41.15 C ATOM 232 C THR A 15 -21.825 4.936 -19.320 1.00 71.23 C ATOM 233 O THR A 15 -20.740 4.575 -18.866 1.00 75.21 O ATOM 234 CB THR A 15 -23.038 2.688 -19.199 1.00 34.22 C ATOM 235 OG1 THR A 15 -23.780 1.851 -20.082 1.00 41.14 O ATOM 236 CG2 THR A 15 -24.008 2.967 -18.049 1.00 11.23 C ATOM 0 H THR A 15 -21.351 2.880 -21.189 1.00 74.21 H new ATOM 0 HA THR A 15 -23.680 4.465 -20.195 1.00 41.15 H new ATOM 0 HB THR A 15 -22.106 2.288 -18.800 1.00 34.22 H new ATOM 0 HG1 THR A 15 -24.600 2.312 -20.357 1.00 41.14 H new ATOM 0 HG21 THR A 15 -24.185 2.047 -17.491 1.00 11.23 H new ATOM 0 HG22 THR A 15 -23.579 3.717 -17.385 1.00 11.23 H new ATOM 0 HG23 THR A 15 -24.952 3.335 -18.451 1.00 11.23 H new ATOM 244 N ALA A 16 -22.295 6.172 -19.247 1.00 13.33 N ATOM 245 CA ALA A 16 -21.532 7.226 -18.599 1.00 72.15 C ATOM 246 C ALA A 16 -21.137 6.773 -17.193 1.00 22.23 C ATOM 247 O ALA A 16 -21.988 6.653 -16.313 1.00 71.41 O ATOM 248 CB ALA A 16 -22.353 8.517 -18.587 1.00 31.00 C ATOM 0 H ALA A 16 -23.195 6.468 -19.626 1.00 13.33 H new ATOM 0 HA ALA A 16 -20.614 7.429 -19.150 1.00 72.15 H new ATOM 0 HB1 ALA A 16 -21.781 9.307 -18.101 1.00 31.00 H new ATOM 0 HB2 ALA A 16 -22.582 8.812 -19.611 1.00 31.00 H new ATOM 0 HB3 ALA A 16 -23.282 8.353 -18.040 1.00 31.00 H new ATOM 254 N LEU A 17 -19.845 6.534 -17.024 1.00 64.51 N ATOM 255 CA LEU A 17 -19.326 6.096 -15.739 1.00 41.21 C ATOM 256 C LEU A 17 -19.702 7.121 -14.667 1.00 24.11 C ATOM 257 O LEU A 17 -19.794 8.315 -14.949 1.00 72.52 O ATOM 258 CB LEU A 17 -17.823 5.826 -15.832 1.00 3.21 C ATOM 259 CG LEU A 17 -17.406 4.654 -16.722 1.00 24.53 C ATOM 260 CD1 LEU A 17 -15.909 4.707 -17.034 1.00 2.43 C ATOM 261 CD2 LEU A 17 -17.813 3.318 -16.096 1.00 1.23 C ATOM 0 H LEU A 17 -19.142 6.635 -17.756 1.00 64.51 H new ATOM 0 HA LEU A 17 -19.779 5.148 -15.448 1.00 41.21 H new ATOM 0 HB2 LEU A 17 -17.334 6.728 -16.200 1.00 3.21 H new ATOM 0 HB3 LEU A 17 -17.443 5.646 -14.826 1.00 3.21 H new ATOM 0 HG LEU A 17 -17.936 4.741 -17.670 1.00 24.53 H new ATOM 0 HD11 LEU A 17 -15.639 3.862 -17.668 1.00 2.43 H new ATOM 0 HD12 LEU A 17 -15.678 5.638 -17.552 1.00 2.43 H new ATOM 0 HD13 LEU A 17 -15.342 4.658 -16.105 1.00 2.43 H new ATOM 0 HD21 LEU A 17 -17.505 2.501 -16.749 1.00 1.23 H new ATOM 0 HD22 LEU A 17 -17.329 3.209 -15.125 1.00 1.23 H new ATOM 0 HD23 LEU A 17 -18.895 3.291 -15.967 1.00 1.23 H new ATOM 273 N THR A 18 -19.908 6.617 -13.459 1.00 1.21 N ATOM 274 CA THR A 18 -20.272 7.474 -12.343 1.00 25.10 C ATOM 275 C THR A 18 -19.572 7.009 -11.064 1.00 41.41 C ATOM 276 O THR A 18 -19.105 5.874 -10.985 1.00 42.20 O ATOM 277 CB THR A 18 -21.797 7.483 -12.232 1.00 14.32 C ATOM 278 OG1 THR A 18 -22.157 6.105 -12.275 1.00 11.14 O ATOM 279 CG2 THR A 18 -22.471 8.083 -13.468 1.00 20.31 C ATOM 0 H THR A 18 -19.830 5.626 -13.229 1.00 1.21 H new ATOM 0 HA THR A 18 -19.938 8.499 -12.505 1.00 25.10 H new ATOM 0 HB THR A 18 -22.093 8.047 -11.348 1.00 14.32 H new ATOM 0 HG1 THR A 18 -23.046 6.011 -12.677 1.00 11.14 H new ATOM 0 HG21 THR A 18 -23.553 8.065 -13.337 1.00 20.31 H new ATOM 0 HG22 THR A 18 -22.138 9.113 -13.600 1.00 20.31 H new ATOM 0 HG23 THR A 18 -22.202 7.499 -14.348 1.00 20.31 H new ATOM 287 N LEU A 19 -19.522 7.911 -10.094 1.00 64.25 N ATOM 288 CA LEU A 19 -18.887 7.608 -8.823 1.00 62.30 C ATOM 289 C LEU A 19 -19.691 6.524 -8.102 1.00 13.53 C ATOM 290 O LEU A 19 -19.219 5.941 -7.127 1.00 14.31 O ATOM 291 CB LEU A 19 -18.698 8.884 -8.001 1.00 13.04 C ATOM 292 CG LEU A 19 -17.703 8.794 -6.842 1.00 11.32 C ATOM 293 CD1 LEU A 19 -16.388 8.159 -7.297 1.00 2.13 C ATOM 294 CD2 LEU A 19 -17.485 10.165 -6.199 1.00 13.51 C ATOM 0 H LEU A 19 -19.911 8.851 -10.163 1.00 64.25 H new ATOM 0 HA LEU A 19 -17.885 7.209 -8.983 1.00 62.30 H new ATOM 0 HB2 LEU A 19 -18.373 9.680 -8.672 1.00 13.04 H new ATOM 0 HB3 LEU A 19 -19.667 9.181 -7.600 1.00 13.04 H new ATOM 0 HG LEU A 19 -18.127 8.143 -6.077 1.00 11.32 H new ATOM 0 HD11 LEU A 19 -15.698 8.107 -6.454 1.00 2.13 H new ATOM 0 HD12 LEU A 19 -16.580 7.154 -7.672 1.00 2.13 H new ATOM 0 HD13 LEU A 19 -15.947 8.763 -8.090 1.00 2.13 H new ATOM 0 HD21 LEU A 19 -16.774 10.073 -5.378 1.00 13.51 H new ATOM 0 HD22 LEU A 19 -17.092 10.858 -6.943 1.00 13.51 H new ATOM 0 HD23 LEU A 19 -18.433 10.542 -5.817 1.00 13.51 H new ATOM 306 N VAL A 20 -20.892 6.288 -8.609 1.00 14.14 N ATOM 307 CA VAL A 20 -21.767 5.285 -8.025 1.00 0.21 C ATOM 308 C VAL A 20 -21.656 3.988 -8.828 1.00 62.13 C ATOM 309 O VAL A 20 -22.320 3.001 -8.515 1.00 62.13 O ATOM 310 CB VAL A 20 -23.198 5.820 -7.948 1.00 14.10 C ATOM 311 CG1 VAL A 20 -23.209 7.307 -7.590 1.00 14.52 C ATOM 312 CG2 VAL A 20 -23.950 5.565 -9.256 1.00 42.42 C ATOM 0 H VAL A 20 -21.280 6.774 -9.418 1.00 14.14 H new ATOM 0 HA VAL A 20 -21.463 5.061 -7.003 1.00 0.21 H new ATOM 0 HB VAL A 20 -23.715 5.281 -7.154 1.00 14.10 H new ATOM 0 HG11 VAL A 20 -24.238 7.662 -7.542 1.00 14.52 H new ATOM 0 HG12 VAL A 20 -22.730 7.452 -6.622 1.00 14.52 H new ATOM 0 HG13 VAL A 20 -22.667 7.868 -8.351 1.00 14.52 H new ATOM 0 HG21 VAL A 20 -24.965 5.955 -9.174 1.00 42.42 H new ATOM 0 HG22 VAL A 20 -23.434 6.065 -10.076 1.00 42.42 H new ATOM 0 HG23 VAL A 20 -23.988 4.493 -9.451 1.00 42.42 H new ATOM 322 N MET A 21 -20.812 4.032 -9.848 1.00 64.35 N ATOM 323 CA MET A 21 -20.605 2.872 -10.699 1.00 40.02 C ATOM 324 C MET A 21 -19.121 2.508 -10.779 1.00 40.24 C ATOM 325 O MET A 21 -18.728 1.665 -11.584 1.00 25.23 O ATOM 326 CB MET A 21 -21.135 3.168 -12.104 1.00 2.13 C ATOM 327 CG MET A 21 -22.665 3.147 -12.128 1.00 65.13 C ATOM 328 SD MET A 21 -23.243 2.688 -13.754 1.00 4.15 S ATOM 329 CE MET A 21 -22.502 3.989 -14.725 1.00 4.51 C ATOM 0 H MET A 21 -20.263 4.853 -10.105 1.00 64.35 H new ATOM 0 HA MET A 21 -21.144 2.028 -10.268 1.00 40.02 H new ATOM 0 HB2 MET A 21 -20.776 4.143 -12.434 1.00 2.13 H new ATOM 0 HB3 MET A 21 -20.746 2.430 -12.806 1.00 2.13 H new ATOM 0 HG2 MET A 21 -23.039 2.440 -11.387 1.00 65.13 H new ATOM 0 HG3 MET A 21 -23.055 4.128 -11.858 1.00 65.13 H new ATOM 0 HE1 MET A 21 -23.261 4.728 -14.983 1.00 4.51 H new ATOM 0 HE2 MET A 21 -21.711 4.468 -14.148 1.00 4.51 H new ATOM 0 HE3 MET A 21 -22.081 3.567 -15.638 1.00 4.51 H new ATOM 339 N MET A 22 -18.338 3.163 -9.935 1.00 24.53 N ATOM 340 CA MET A 22 -16.906 2.919 -9.900 1.00 24.42 C ATOM 341 C MET A 22 -16.398 2.841 -8.459 1.00 24.33 C ATOM 342 O MET A 22 -17.004 3.408 -7.551 1.00 73.23 O ATOM 343 CB MET A 22 -16.178 4.044 -10.638 1.00 22.02 C ATOM 344 CG MET A 22 -16.544 4.052 -12.123 1.00 61.04 C ATOM 345 SD MET A 22 -15.503 5.205 -13.003 1.00 24.35 S ATOM 346 CE MET A 22 -16.318 6.738 -12.587 1.00 64.53 C ATOM 0 H MET A 22 -18.668 3.863 -9.270 1.00 24.53 H new ATOM 0 HA MET A 22 -16.707 1.965 -10.388 1.00 24.42 H new ATOM 0 HB2 MET A 22 -16.437 5.004 -10.191 1.00 22.02 H new ATOM 0 HB3 MET A 22 -15.101 3.920 -10.526 1.00 22.02 H new ATOM 0 HG2 MET A 22 -16.427 3.052 -12.540 1.00 61.04 H new ATOM 0 HG3 MET A 22 -17.591 4.328 -12.246 1.00 61.04 H new ATOM 0 HE1 MET A 22 -15.933 7.538 -13.219 1.00 64.53 H new ATOM 0 HE2 MET A 22 -17.391 6.634 -12.746 1.00 64.53 H new ATOM 0 HE3 MET A 22 -16.128 6.979 -11.541 1.00 64.53 H new ATOM 356 N THR A 23 -15.289 2.134 -8.293 1.00 74.41 N ATOM 357 CA THR A 23 -14.693 1.974 -6.978 1.00 1.22 C ATOM 358 C THR A 23 -13.234 1.531 -7.104 1.00 72.40 C ATOM 359 O THR A 23 -12.690 1.479 -8.206 1.00 53.41 O ATOM 360 CB THR A 23 -15.559 0.996 -6.181 1.00 62.04 C ATOM 361 OG1 THR A 23 -14.907 0.905 -4.918 1.00 21.14 O ATOM 362 CG2 THR A 23 -15.495 -0.428 -6.737 1.00 32.32 C ATOM 0 H THR A 23 -14.788 1.666 -9.048 1.00 74.41 H new ATOM 0 HA THR A 23 -14.667 2.921 -6.438 1.00 1.22 H new ATOM 0 HB THR A 23 -16.593 1.341 -6.183 1.00 62.04 H new ATOM 0 HG1 THR A 23 -15.403 0.292 -4.337 1.00 21.14 H new ATOM 0 HG21 THR A 23 -16.127 -1.082 -6.136 1.00 32.32 H new ATOM 0 HG22 THR A 23 -15.847 -0.432 -7.769 1.00 32.32 H new ATOM 0 HG23 THR A 23 -14.466 -0.786 -6.703 1.00 32.32 H new ATOM 370 N THR A 24 -12.642 1.221 -5.960 1.00 11.11 N ATOM 371 CA THR A 24 -11.257 0.783 -5.928 1.00 41.45 C ATOM 372 C THR A 24 -11.144 -0.582 -5.248 1.00 34.20 C ATOM 373 O THR A 24 -11.933 -0.905 -4.361 1.00 10.52 O ATOM 374 CB THR A 24 -10.432 1.874 -5.242 1.00 40.13 C ATOM 375 OG1 THR A 24 -10.768 1.748 -3.863 1.00 54.04 O ATOM 376 CG2 THR A 24 -10.900 3.283 -5.613 1.00 33.22 C ATOM 0 H THR A 24 -13.097 1.265 -5.048 1.00 11.11 H new ATOM 0 HA THR A 24 -10.864 0.642 -6.935 1.00 41.45 H new ATOM 0 HB THR A 24 -9.382 1.758 -5.511 1.00 40.13 H new ATOM 0 HG1 THR A 24 -10.075 2.176 -3.317 1.00 54.04 H new ATOM 0 HG21 THR A 24 -10.281 4.019 -5.099 1.00 33.22 H new ATOM 0 HG22 THR A 24 -10.812 3.424 -6.690 1.00 33.22 H new ATOM 0 HG23 THR A 24 -11.940 3.411 -5.314 1.00 33.22 H new ATOM 384 N ARG A 25 -10.158 -1.348 -5.689 1.00 64.15 N ATOM 385 CA ARG A 25 -9.932 -2.672 -5.134 1.00 44.31 C ATOM 386 C ARG A 25 -8.738 -3.339 -5.821 1.00 13.10 C ATOM 387 O ARG A 25 -8.643 -3.337 -7.047 1.00 63.03 O ATOM 388 CB ARG A 25 -11.168 -3.557 -5.301 1.00 20.40 C ATOM 389 CG ARG A 25 -11.391 -4.426 -4.062 1.00 33.35 C ATOM 390 CD ARG A 25 -10.778 -5.815 -4.248 1.00 62.51 C ATOM 391 NE ARG A 25 -11.468 -6.794 -3.378 1.00 65.22 N ATOM 392 CZ ARG A 25 -10.901 -7.930 -2.919 1.00 64.10 C ATOM 393 NH1 ARG A 25 -9.627 -8.240 -3.244 1.00 34.23 N ATOM 394 NH2 ARG A 25 -11.610 -8.733 -2.148 1.00 22.11 N ATOM 0 H ARG A 25 -9.506 -1.077 -6.425 1.00 64.15 H new ATOM 0 HA ARG A 25 -9.724 -2.555 -4.070 1.00 44.31 H new ATOM 0 HB2 ARG A 25 -12.045 -2.934 -5.475 1.00 20.40 H new ATOM 0 HB3 ARG A 25 -11.049 -4.192 -6.179 1.00 20.40 H new ATOM 0 HG2 ARG A 25 -10.949 -3.943 -3.191 1.00 33.35 H new ATOM 0 HG3 ARG A 25 -12.459 -4.519 -3.867 1.00 33.35 H new ATOM 0 HD2 ARG A 25 -10.861 -6.121 -5.291 1.00 62.51 H new ATOM 0 HD3 ARG A 25 -9.715 -5.788 -4.007 1.00 62.51 H new ATOM 0 HE ARG A 25 -12.432 -6.598 -3.108 1.00 65.22 H new ATOM 0 HH11 ARG A 25 -9.086 -7.614 -3.840 1.00 34.23 H new ATOM 0 HH12 ARG A 25 -9.206 -9.100 -2.893 1.00 34.23 H new ATOM 0 HH21 ARG A 25 -12.571 -8.491 -1.907 1.00 22.11 H new ATOM 0 HH22 ARG A 25 -11.197 -9.595 -1.793 1.00 22.11 H new ATOM 407 N VAL A 26 -7.858 -3.894 -5.001 1.00 13.35 N ATOM 408 CA VAL A 26 -6.675 -4.563 -5.514 1.00 31.13 C ATOM 409 C VAL A 26 -7.098 -5.804 -6.302 1.00 33.31 C ATOM 410 O VAL A 26 -7.507 -6.806 -5.717 1.00 31.11 O ATOM 411 CB VAL A 26 -5.715 -4.882 -4.366 1.00 32.42 C ATOM 412 CG1 VAL A 26 -4.330 -5.257 -4.897 1.00 53.33 C ATOM 413 CG2 VAL A 26 -5.628 -3.713 -3.383 1.00 21.21 C ATOM 0 H VAL A 26 -7.941 -3.894 -3.984 1.00 13.35 H new ATOM 0 HA VAL A 26 -6.134 -3.911 -6.200 1.00 31.13 H new ATOM 0 HB VAL A 26 -6.111 -5.743 -3.828 1.00 32.42 H new ATOM 0 HG11 VAL A 26 -3.667 -5.479 -4.060 1.00 53.33 H new ATOM 0 HG12 VAL A 26 -4.412 -6.135 -5.538 1.00 53.33 H new ATOM 0 HG13 VAL A 26 -3.923 -4.425 -5.471 1.00 53.33 H new ATOM 0 HG21 VAL A 26 -4.939 -3.966 -2.577 1.00 21.21 H new ATOM 0 HG22 VAL A 26 -5.267 -2.826 -3.904 1.00 21.21 H new ATOM 0 HG23 VAL A 26 -6.615 -3.513 -2.967 1.00 21.21 H new ATOM 423 N VAL A 27 -6.986 -5.697 -7.618 1.00 24.33 N ATOM 424 CA VAL A 27 -7.351 -6.799 -8.492 1.00 54.42 C ATOM 425 C VAL A 27 -6.194 -7.091 -9.449 1.00 3.32 C ATOM 426 O VAL A 27 -5.280 -6.279 -9.589 1.00 70.34 O ATOM 427 CB VAL A 27 -8.660 -6.478 -9.217 1.00 70.55 C ATOM 428 CG1 VAL A 27 -9.754 -6.081 -8.225 1.00 32.34 C ATOM 429 CG2 VAL A 27 -8.451 -5.387 -10.269 1.00 51.10 C ATOM 0 H VAL A 27 -6.648 -4.864 -8.100 1.00 24.33 H new ATOM 0 HA VAL A 27 -7.528 -7.705 -7.912 1.00 54.42 H new ATOM 0 HB VAL A 27 -8.987 -7.381 -9.732 1.00 70.55 H new ATOM 0 HG11 VAL A 27 -10.673 -5.858 -8.767 1.00 32.34 H new ATOM 0 HG12 VAL A 27 -9.932 -6.903 -7.531 1.00 32.34 H new ATOM 0 HG13 VAL A 27 -9.438 -5.199 -7.669 1.00 32.34 H new ATOM 0 HG21 VAL A 27 -9.397 -5.178 -10.769 1.00 51.10 H new ATOM 0 HG22 VAL A 27 -8.088 -4.480 -9.785 1.00 51.10 H new ATOM 0 HG23 VAL A 27 -7.719 -5.725 -11.003 1.00 51.10 H new ATOM 439 N SER A 28 -6.270 -8.252 -10.082 1.00 21.11 N ATOM 440 CA SER A 28 -5.240 -8.661 -11.021 1.00 63.43 C ATOM 441 C SER A 28 -5.880 -9.307 -12.252 1.00 31.45 C ATOM 442 O SER A 28 -6.729 -10.188 -12.124 1.00 12.03 O ATOM 443 CB SER A 28 -4.251 -9.629 -10.368 1.00 33.15 C ATOM 444 OG SER A 28 -2.975 -9.598 -11.001 1.00 11.41 O ATOM 0 H SER A 28 -7.029 -8.923 -9.963 1.00 21.11 H new ATOM 0 HA SER A 28 -4.688 -7.773 -11.330 1.00 63.43 H new ATOM 0 HB2 SER A 28 -4.139 -9.376 -9.314 1.00 33.15 H new ATOM 0 HB3 SER A 28 -4.653 -10.641 -10.412 1.00 33.15 H new ATOM 0 HG SER A 28 -2.373 -10.228 -10.554 1.00 11.41 H new ATOM 450 N PRO A 29 -5.437 -8.832 -13.446 1.00 61.44 N ATOM 451 CA PRO A 29 -4.429 -7.788 -13.509 1.00 64.11 C ATOM 452 C PRO A 29 -5.027 -6.426 -13.150 1.00 63.22 C ATOM 453 O PRO A 29 -6.245 -6.255 -13.168 1.00 24.03 O ATOM 454 CB PRO A 29 -3.891 -7.845 -14.930 1.00 30.14 C ATOM 455 CG PRO A 29 -4.933 -8.598 -15.740 1.00 35.31 C ATOM 456 CD PRO A 29 -5.882 -9.275 -14.764 1.00 72.33 C ATOM 0 HA PRO A 29 -3.626 -7.935 -12.787 1.00 64.11 H new ATOM 0 HB2 PRO A 29 -3.735 -6.843 -15.329 1.00 30.14 H new ATOM 0 HB3 PRO A 29 -2.928 -8.354 -14.963 1.00 30.14 H new ATOM 0 HG2 PRO A 29 -5.478 -7.914 -16.390 1.00 35.31 H new ATOM 0 HG3 PRO A 29 -4.456 -9.337 -16.383 1.00 35.31 H new ATOM 0 HD2 PRO A 29 -6.916 -8.985 -14.951 1.00 72.33 H new ATOM 0 HD3 PRO A 29 -5.834 -10.360 -14.854 1.00 72.33 H new ATOM 464 N THR A 30 -4.142 -5.492 -12.833 1.00 70.24 N ATOM 465 CA THR A 30 -4.567 -4.151 -12.471 1.00 52.21 C ATOM 466 C THR A 30 -4.890 -3.337 -13.726 1.00 2.34 C ATOM 467 O THR A 30 -4.307 -3.564 -14.785 1.00 32.43 O ATOM 468 CB THR A 30 -3.472 -3.525 -11.606 1.00 24.12 C ATOM 469 OG1 THR A 30 -2.258 -3.982 -12.198 1.00 15.14 O ATOM 470 CG2 THR A 30 -3.438 -4.107 -10.191 1.00 75.53 C ATOM 0 H THR A 30 -3.133 -5.638 -12.819 1.00 70.24 H new ATOM 0 HA THR A 30 -5.488 -4.172 -11.889 1.00 52.21 H new ATOM 0 HB THR A 30 -3.625 -2.447 -11.551 1.00 24.12 H new ATOM 0 HG1 THR A 30 -1.495 -3.621 -11.700 1.00 15.14 H new ATOM 0 HG21 THR A 30 -2.643 -3.628 -9.620 1.00 75.53 H new ATOM 0 HG22 THR A 30 -4.395 -3.928 -9.701 1.00 75.53 H new ATOM 0 HG23 THR A 30 -3.252 -5.180 -10.243 1.00 75.53 H new ATOM 478 N GLY A 31 -5.817 -2.404 -13.565 1.00 33.32 N ATOM 479 CA GLY A 31 -6.225 -1.555 -14.671 1.00 65.03 C ATOM 480 C GLY A 31 -6.114 -0.076 -14.296 1.00 52.34 C ATOM 481 O GLY A 31 -5.227 0.312 -13.538 1.00 64.32 O ATOM 0 H GLY A 31 -6.297 -2.217 -12.685 1.00 33.32 H new ATOM 0 HA2 GLY A 31 -5.602 -1.761 -15.541 1.00 65.03 H new ATOM 0 HA3 GLY A 31 -7.252 -1.787 -14.952 1.00 65.03 H new ATOM 485 N ILE A 32 -7.029 0.711 -14.845 1.00 64.41 N ATOM 486 CA ILE A 32 -7.045 2.139 -14.578 1.00 32.21 C ATOM 487 C ILE A 32 -6.819 2.376 -13.083 1.00 43.35 C ATOM 488 O ILE A 32 -7.351 1.648 -12.248 1.00 31.43 O ATOM 489 CB ILE A 32 -8.333 2.769 -15.112 1.00 61.15 C ATOM 490 CG1 ILE A 32 -8.412 2.646 -16.635 1.00 74.45 C ATOM 491 CG2 ILE A 32 -8.467 4.220 -14.647 1.00 53.31 C ATOM 492 CD1 ILE A 32 -9.853 2.808 -17.124 1.00 51.13 C ATOM 0 H ILE A 32 -7.764 0.386 -15.473 1.00 64.41 H new ATOM 0 HA ILE A 32 -6.231 2.635 -15.107 1.00 32.21 H new ATOM 0 HB ILE A 32 -9.179 2.219 -14.700 1.00 61.15 H new ATOM 0 HG12 ILE A 32 -7.780 3.404 -17.098 1.00 74.45 H new ATOM 0 HG13 ILE A 32 -8.026 1.675 -16.946 1.00 74.45 H new ATOM 0 HG21 ILE A 32 -9.391 4.644 -15.040 1.00 53.31 H new ATOM 0 HG22 ILE A 32 -8.488 4.253 -13.558 1.00 53.31 H new ATOM 0 HG23 ILE A 32 -7.618 4.799 -15.011 1.00 53.31 H new ATOM 0 HD11 ILE A 32 -9.881 2.716 -18.210 1.00 51.13 H new ATOM 0 HD12 ILE A 32 -10.478 2.034 -16.678 1.00 51.13 H new ATOM 0 HD13 ILE A 32 -10.228 3.789 -16.833 1.00 51.13 H new ATOM 504 N PRO A 33 -6.007 3.426 -12.785 1.00 21.21 N ATOM 505 CA PRO A 33 -5.703 3.768 -11.406 1.00 14.51 C ATOM 506 C PRO A 33 -6.895 4.455 -10.736 1.00 54.44 C ATOM 507 O PRO A 33 -7.655 5.167 -11.392 1.00 3.31 O ATOM 508 CB PRO A 33 -4.472 4.657 -11.483 1.00 74.31 C ATOM 509 CG PRO A 33 -4.408 5.157 -12.917 1.00 73.42 C ATOM 510 CD PRO A 33 -5.359 4.311 -13.749 1.00 21.45 C ATOM 0 HA PRO A 33 -5.507 2.891 -10.789 1.00 14.51 H new ATOM 0 HB2 PRO A 33 -4.546 5.489 -10.782 1.00 74.31 H new ATOM 0 HB3 PRO A 33 -3.572 4.101 -11.223 1.00 74.31 H new ATOM 0 HG2 PRO A 33 -4.689 6.209 -12.967 1.00 73.42 H new ATOM 0 HG3 PRO A 33 -3.392 5.080 -13.303 1.00 73.42 H new ATOM 0 HD2 PRO A 33 -6.088 4.931 -14.270 1.00 21.45 H new ATOM 0 HD3 PRO A 33 -4.822 3.743 -14.509 1.00 21.45 H new ATOM 518 N ALA A 34 -7.022 4.218 -9.439 1.00 74.22 N ATOM 519 CA ALA A 34 -8.109 4.805 -8.674 1.00 30.23 C ATOM 520 C ALA A 34 -8.015 6.330 -8.750 1.00 3.04 C ATOM 521 O ALA A 34 -8.995 7.029 -8.498 1.00 41.44 O ATOM 522 CB ALA A 34 -8.057 4.288 -7.234 1.00 50.35 C ATOM 0 H ALA A 34 -6.390 3.627 -8.898 1.00 74.22 H new ATOM 0 HA ALA A 34 -9.073 4.513 -9.091 1.00 30.23 H new ATOM 0 HB1 ALA A 34 -8.872 4.728 -6.660 1.00 50.35 H new ATOM 0 HB2 ALA A 34 -8.157 3.203 -7.233 1.00 50.35 H new ATOM 0 HB3 ALA A 34 -7.104 4.565 -6.782 1.00 50.35 H new ATOM 528 N GLU A 35 -6.826 6.801 -9.097 1.00 71.11 N ATOM 529 CA GLU A 35 -6.591 8.230 -9.209 1.00 50.43 C ATOM 530 C GLU A 35 -7.301 8.790 -10.444 1.00 32.15 C ATOM 531 O GLU A 35 -7.295 9.998 -10.673 1.00 50.31 O ATOM 532 CB GLU A 35 -5.093 8.538 -9.252 1.00 61.02 C ATOM 533 CG GLU A 35 -4.304 7.539 -8.404 1.00 5.24 C ATOM 534 CD GLU A 35 -3.145 8.229 -7.681 1.00 44.12 C ATOM 535 OE1 GLU A 35 -2.255 8.794 -8.335 1.00 13.42 O ATOM 536 OE2 GLU A 35 -3.189 8.165 -6.394 1.00 31.14 O ATOM 0 H GLU A 35 -6.015 6.218 -9.304 1.00 71.11 H new ATOM 0 HA GLU A 35 -7.003 8.716 -8.325 1.00 50.43 H new ATOM 0 HB2 GLU A 35 -4.740 8.504 -10.283 1.00 61.02 H new ATOM 0 HB3 GLU A 35 -4.915 9.550 -8.888 1.00 61.02 H new ATOM 0 HG2 GLU A 35 -4.966 7.073 -7.675 1.00 5.24 H new ATOM 0 HG3 GLU A 35 -3.918 6.742 -9.040 1.00 5.24 H new ATOM 544 N ASP A 36 -7.896 7.884 -11.206 1.00 15.33 N ATOM 545 CA ASP A 36 -8.610 8.272 -12.411 1.00 3.42 C ATOM 546 C ASP A 36 -10.116 8.158 -12.166 1.00 64.21 C ATOM 547 O ASP A 36 -10.914 8.355 -13.081 1.00 64.22 O ATOM 548 CB ASP A 36 -8.250 7.357 -13.582 1.00 71.35 C ATOM 549 CG ASP A 36 -6.783 7.404 -14.013 1.00 42.05 C ATOM 550 OD1 ASP A 36 -6.422 6.934 -15.103 1.00 3.42 O ATOM 551 OD2 ASP A 36 -5.983 7.959 -13.167 1.00 15.13 O ATOM 0 H ASP A 36 -7.898 6.883 -11.013 1.00 15.33 H new ATOM 0 HA ASP A 36 -8.329 9.297 -12.655 1.00 3.42 H new ATOM 0 HB2 ASP A 36 -8.501 6.331 -13.312 1.00 71.35 H new ATOM 0 HB3 ASP A 36 -8.873 7.623 -14.436 1.00 71.35 H new ATOM 557 N ILE A 37 -10.459 7.840 -10.927 1.00 21.34 N ATOM 558 CA ILE A 37 -11.855 7.697 -10.550 1.00 60.40 C ATOM 559 C ILE A 37 -12.624 8.950 -10.972 1.00 42.15 C ATOM 560 O ILE A 37 -13.673 8.855 -11.607 1.00 60.22 O ATOM 561 CB ILE A 37 -11.977 7.373 -9.060 1.00 14.14 C ATOM 562 CG1 ILE A 37 -12.058 5.862 -8.831 1.00 41.32 C ATOM 563 CG2 ILE A 37 -13.163 8.111 -8.434 1.00 4.31 C ATOM 564 CD1 ILE A 37 -12.678 5.546 -7.469 1.00 11.12 C ATOM 0 H ILE A 37 -9.794 7.677 -10.171 1.00 21.34 H new ATOM 0 HA ILE A 37 -12.306 6.854 -11.074 1.00 60.40 H new ATOM 0 HB ILE A 37 -11.076 7.727 -8.559 1.00 14.14 H new ATOM 0 HG12 ILE A 37 -12.653 5.402 -9.621 1.00 41.32 H new ATOM 0 HG13 ILE A 37 -11.060 5.428 -8.890 1.00 41.32 H new ATOM 0 HG21 ILE A 37 -13.227 7.863 -7.374 1.00 4.31 H new ATOM 0 HG22 ILE A 37 -13.024 9.186 -8.548 1.00 4.31 H new ATOM 0 HG23 ILE A 37 -14.084 7.810 -8.934 1.00 4.31 H new ATOM 0 HD11 ILE A 37 -12.724 4.466 -7.332 1.00 11.12 H new ATOM 0 HD12 ILE A 37 -12.068 5.986 -6.680 1.00 11.12 H new ATOM 0 HD13 ILE A 37 -13.685 5.961 -7.423 1.00 11.12 H new ATOM 576 N PRO A 38 -12.057 10.127 -10.593 1.00 71.14 N ATOM 577 CA PRO A 38 -12.678 11.398 -10.926 1.00 63.20 C ATOM 578 C PRO A 38 -12.475 11.737 -12.404 1.00 73.33 C ATOM 579 O PRO A 38 -12.956 12.764 -12.881 1.00 20.31 O ATOM 580 CB PRO A 38 -12.032 12.408 -9.991 1.00 70.43 C ATOM 581 CG PRO A 38 -10.751 11.757 -9.496 1.00 4.00 C ATOM 582 CD PRO A 38 -10.815 10.278 -9.841 1.00 12.12 C ATOM 0 HA PRO A 38 -13.760 11.386 -10.792 1.00 63.20 H new ATOM 0 HB2 PRO A 38 -11.820 13.342 -10.511 1.00 70.43 H new ATOM 0 HB3 PRO A 38 -12.694 12.650 -9.159 1.00 70.43 H new ATOM 0 HG2 PRO A 38 -9.882 12.221 -9.963 1.00 4.00 H new ATOM 0 HG3 PRO A 38 -10.645 11.894 -8.420 1.00 4.00 H new ATOM 0 HD2 PRO A 38 -9.953 9.972 -10.434 1.00 12.12 H new ATOM 0 HD3 PRO A 38 -10.819 9.661 -8.942 1.00 12.12 H new ATOM 590 N ARG A 39 -11.763 10.854 -13.089 1.00 30.34 N ATOM 591 CA ARG A 39 -11.491 11.046 -14.503 1.00 12.20 C ATOM 592 C ARG A 39 -12.484 10.246 -15.348 1.00 54.11 C ATOM 593 O ARG A 39 -12.972 10.734 -16.367 1.00 32.24 O ATOM 594 CB ARG A 39 -10.067 10.611 -14.854 1.00 40.32 C ATOM 595 CG ARG A 39 -9.044 11.303 -13.951 1.00 20.01 C ATOM 596 CD ARG A 39 -7.617 10.909 -14.337 1.00 42.41 C ATOM 597 NE ARG A 39 -7.262 11.509 -15.643 1.00 12.32 N ATOM 598 CZ ARG A 39 -6.384 10.966 -16.512 1.00 24.12 C ATOM 599 NH1 ARG A 39 -5.762 9.804 -16.221 1.00 23.44 N ATOM 600 NH2 ARG A 39 -6.142 11.588 -17.651 1.00 4.15 N ATOM 0 H ARG A 39 -11.366 10.003 -12.690 1.00 30.34 H new ATOM 0 HA ARG A 39 -11.598 12.109 -14.720 1.00 12.20 H new ATOM 0 HB2 ARG A 39 -9.977 9.530 -14.749 1.00 40.32 H new ATOM 0 HB3 ARG A 39 -9.857 10.849 -15.897 1.00 40.32 H new ATOM 0 HG2 ARG A 39 -9.160 12.384 -14.026 1.00 20.01 H new ATOM 0 HG3 ARG A 39 -9.231 11.034 -12.911 1.00 20.01 H new ATOM 0 HD2 ARG A 39 -6.918 11.245 -13.571 1.00 42.41 H new ATOM 0 HD3 ARG A 39 -7.533 9.824 -14.391 1.00 42.41 H new ATOM 0 HE ARG A 39 -7.709 12.388 -15.902 1.00 12.32 H new ATOM 0 HH11 ARG A 39 -5.954 9.330 -15.339 1.00 23.44 H new ATOM 0 HH12 ARG A 39 -5.100 9.400 -16.883 1.00 23.44 H new ATOM 0 HH21 ARG A 39 -6.616 12.466 -17.863 1.00 4.15 H new ATOM 0 HH22 ARG A 39 -5.481 11.191 -18.319 1.00 4.15 H new ATOM 613 N LEU A 40 -12.754 9.031 -14.894 1.00 54.03 N ATOM 614 CA LEU A 40 -13.681 8.159 -15.596 1.00 22.30 C ATOM 615 C LEU A 40 -15.096 8.729 -15.484 1.00 41.44 C ATOM 616 O LEU A 40 -15.938 8.484 -16.347 1.00 2.20 O ATOM 617 CB LEU A 40 -13.555 6.722 -15.085 1.00 70.14 C ATOM 618 CG LEU A 40 -12.320 5.949 -15.554 1.00 14.20 C ATOM 619 CD1 LEU A 40 -12.263 5.881 -17.081 1.00 52.33 C ATOM 620 CD2 LEU A 40 -11.043 6.544 -14.958 1.00 63.24 C ATOM 0 H LEU A 40 -12.347 8.630 -14.049 1.00 54.03 H new ATOM 0 HA LEU A 40 -13.437 8.119 -16.657 1.00 22.30 H new ATOM 0 HB2 LEU A 40 -13.553 6.744 -13.995 1.00 70.14 H new ATOM 0 HB3 LEU A 40 -14.443 6.169 -15.391 1.00 70.14 H new ATOM 0 HG LEU A 40 -12.399 4.925 -15.190 1.00 14.20 H new ATOM 0 HD11 LEU A 40 -11.376 5.327 -17.388 1.00 52.33 H new ATOM 0 HD12 LEU A 40 -13.154 5.377 -17.456 1.00 52.33 H new ATOM 0 HD13 LEU A 40 -12.219 6.891 -17.489 1.00 52.33 H new ATOM 0 HD21 LEU A 40 -10.180 5.977 -15.307 1.00 63.24 H new ATOM 0 HD22 LEU A 40 -10.945 7.583 -15.272 1.00 63.24 H new ATOM 0 HD23 LEU A 40 -11.093 6.497 -13.870 1.00 63.24 H new ATOM 632 N ILE A 41 -15.314 9.480 -14.415 1.00 12.03 N ATOM 633 CA ILE A 41 -16.613 10.088 -14.179 1.00 60.41 C ATOM 634 C ILE A 41 -17.004 10.931 -15.394 1.00 15.20 C ATOM 635 O ILE A 41 -16.217 11.749 -15.866 1.00 45.31 O ATOM 636 CB ILE A 41 -16.608 10.869 -12.864 1.00 33.14 C ATOM 637 CG1 ILE A 41 -16.293 9.950 -11.681 1.00 51.24 C ATOM 638 CG2 ILE A 41 -17.926 11.622 -12.669 1.00 4.33 C ATOM 639 CD1 ILE A 41 -17.569 9.570 -10.927 1.00 42.11 C ATOM 0 H ILE A 41 -14.613 9.682 -13.702 1.00 12.03 H new ATOM 0 HA ILE A 41 -17.378 9.320 -14.063 1.00 60.41 H new ATOM 0 HB ILE A 41 -15.814 11.615 -12.913 1.00 33.14 H new ATOM 0 HG12 ILE A 41 -15.796 9.048 -12.039 1.00 51.24 H new ATOM 0 HG13 ILE A 41 -15.600 10.449 -11.003 1.00 51.24 H new ATOM 0 HG21 ILE A 41 -17.897 12.169 -11.727 1.00 4.33 H new ATOM 0 HG22 ILE A 41 -18.070 12.323 -13.491 1.00 4.33 H new ATOM 0 HG23 ILE A 41 -18.752 10.911 -12.650 1.00 4.33 H new ATOM 0 HD11 ILE A 41 -17.317 8.917 -10.092 1.00 42.11 H new ATOM 0 HD12 ILE A 41 -18.051 10.472 -10.550 1.00 42.11 H new ATOM 0 HD13 ILE A 41 -18.249 9.050 -11.602 1.00 42.11 H new ATOM 651 N SER A 42 -18.221 10.703 -15.865 1.00 54.04 N ATOM 652 CA SER A 42 -18.727 11.432 -17.016 1.00 71.23 C ATOM 653 C SER A 42 -18.329 10.713 -18.307 1.00 43.30 C ATOM 654 O SER A 42 -18.897 10.972 -19.367 1.00 13.04 O ATOM 655 CB SER A 42 -18.208 12.871 -17.028 1.00 51.02 C ATOM 656 OG SER A 42 -19.119 13.762 -17.667 1.00 31.25 O ATOM 0 H SER A 42 -18.872 10.024 -15.471 1.00 54.04 H new ATOM 0 HA SER A 42 -19.814 11.467 -16.948 1.00 71.23 H new ATOM 0 HB2 SER A 42 -18.035 13.202 -16.004 1.00 51.02 H new ATOM 0 HB3 SER A 42 -17.247 12.906 -17.541 1.00 51.02 H new ATOM 0 HG SER A 42 -18.752 14.671 -17.653 1.00 31.25 H new ATOM 662 N MET A 43 -17.355 9.825 -18.175 1.00 63.14 N ATOM 663 CA MET A 43 -16.874 9.067 -19.318 1.00 44.01 C ATOM 664 C MET A 43 -17.513 7.678 -19.363 1.00 75.14 C ATOM 665 O MET A 43 -17.512 6.957 -18.367 1.00 22.02 O ATOM 666 CB MET A 43 -15.352 8.926 -19.234 1.00 15.15 C ATOM 667 CG MET A 43 -14.725 10.150 -18.564 1.00 1.32 C ATOM 668 SD MET A 43 -13.098 10.447 -19.236 1.00 54.43 S ATOM 669 CE MET A 43 -12.487 8.772 -19.321 1.00 11.44 C ATOM 0 H MET A 43 -16.886 9.613 -17.294 1.00 63.14 H new ATOM 0 HA MET A 43 -17.149 9.603 -20.227 1.00 44.01 H new ATOM 0 HB2 MET A 43 -15.097 8.028 -18.671 1.00 15.15 H new ATOM 0 HB3 MET A 43 -14.939 8.803 -20.235 1.00 15.15 H new ATOM 0 HG2 MET A 43 -15.357 11.024 -18.720 1.00 1.32 H new ATOM 0 HG3 MET A 43 -14.660 9.992 -17.487 1.00 1.32 H new ATOM 0 HE1 MET A 43 -11.495 8.723 -18.872 1.00 11.44 H new ATOM 0 HE2 MET A 43 -13.163 8.110 -18.780 1.00 11.44 H new ATOM 0 HE3 MET A 43 -12.429 8.458 -20.363 1.00 11.44 H new ATOM 679 N GLN A 44 -18.045 7.344 -20.530 1.00 53.31 N ATOM 680 CA GLN A 44 -18.687 6.054 -20.718 1.00 53.45 C ATOM 681 C GLN A 44 -17.637 4.970 -20.968 1.00 11.10 C ATOM 682 O GLN A 44 -16.441 5.256 -21.005 1.00 13.02 O ATOM 683 CB GLN A 44 -19.702 6.109 -21.862 1.00 63.35 C ATOM 684 CG GLN A 44 -20.634 7.312 -21.712 1.00 11.51 C ATOM 685 CD GLN A 44 -20.890 7.980 -23.064 1.00 42.55 C ATOM 686 OE1 GLN A 44 -20.666 9.165 -23.253 1.00 63.22 O ATOM 687 NE2 GLN A 44 -21.370 7.157 -23.992 1.00 51.32 N ATOM 0 H GLN A 44 -18.045 7.944 -21.355 1.00 53.31 H new ATOM 0 HA GLN A 44 -19.229 5.803 -19.806 1.00 53.45 H new ATOM 0 HB2 GLN A 44 -19.177 6.168 -22.816 1.00 63.35 H new ATOM 0 HB3 GLN A 44 -20.288 5.190 -21.877 1.00 63.35 H new ATOM 0 HG2 GLN A 44 -21.580 6.991 -21.276 1.00 11.51 H new ATOM 0 HG3 GLN A 44 -20.194 8.034 -21.023 1.00 11.51 H new ATOM 0 HE21 GLN A 44 -21.535 6.176 -23.768 1.00 51.32 H new ATOM 0 HE22 GLN A 44 -21.573 7.507 -24.928 1.00 51.32 H new ATOM 696 N VAL A 45 -18.122 3.748 -21.133 1.00 0.21 N ATOM 697 CA VAL A 45 -17.240 2.620 -21.378 1.00 21.21 C ATOM 698 C VAL A 45 -17.412 2.148 -22.823 1.00 33.30 C ATOM 699 O VAL A 45 -18.520 2.163 -23.357 1.00 12.31 O ATOM 700 CB VAL A 45 -17.506 1.516 -20.353 1.00 24.35 C ATOM 701 CG1 VAL A 45 -16.818 1.826 -19.022 1.00 4.22 C ATOM 702 CG2 VAL A 45 -19.008 1.300 -20.156 1.00 65.32 C ATOM 0 H VAL A 45 -19.114 3.515 -21.102 1.00 0.21 H new ATOM 0 HA VAL A 45 -16.198 2.916 -21.255 1.00 21.21 H new ATOM 0 HB VAL A 45 -17.083 0.590 -20.742 1.00 24.35 H new ATOM 0 HG11 VAL A 45 -17.023 1.025 -18.311 1.00 4.22 H new ATOM 0 HG12 VAL A 45 -15.742 1.906 -19.178 1.00 4.22 H new ATOM 0 HG13 VAL A 45 -17.198 2.768 -18.627 1.00 4.22 H new ATOM 0 HG21 VAL A 45 -19.169 0.510 -19.422 1.00 65.32 H new ATOM 0 HG22 VAL A 45 -19.465 2.224 -19.801 1.00 65.32 H new ATOM 0 HG23 VAL A 45 -19.462 1.012 -21.104 1.00 65.32 H new ATOM 712 N ASN A 46 -16.300 1.739 -23.415 1.00 4.00 N ATOM 713 CA ASN A 46 -16.314 1.263 -24.788 1.00 4.31 C ATOM 714 C ASN A 46 -16.504 -0.255 -24.795 1.00 43.20 C ATOM 715 O ASN A 46 -15.980 -0.945 -25.668 1.00 24.54 O ATOM 716 CB ASN A 46 -14.993 1.578 -25.493 1.00 61.32 C ATOM 717 CG ASN A 46 -13.832 0.819 -24.847 1.00 50.00 C ATOM 718 OD1 ASN A 46 -13.886 -0.380 -24.627 1.00 43.13 O ATOM 719 ND2 ASN A 46 -12.782 1.582 -24.556 1.00 14.11 N ATOM 0 H ASN A 46 -15.383 1.727 -22.969 1.00 4.00 H new ATOM 0 HA ASN A 46 -17.130 1.763 -25.310 1.00 4.31 H new ATOM 0 HB2 ASN A 46 -15.066 1.309 -26.547 1.00 61.32 H new ATOM 0 HB3 ASN A 46 -14.800 2.650 -25.450 1.00 61.32 H new ATOM 0 HD21 ASN A 46 -11.956 1.169 -24.122 1.00 14.11 H new ATOM 0 HD22 ASN A 46 -12.803 2.580 -24.767 1.00 14.11 H new ATOM 726 N GLN A 47 -17.255 -0.730 -23.812 1.00 42.24 N ATOM 727 CA GLN A 47 -17.521 -2.153 -23.695 1.00 25.45 C ATOM 728 C GLN A 47 -18.311 -2.442 -22.417 1.00 11.23 C ATOM 729 O GLN A 47 -18.163 -1.738 -21.419 1.00 12.01 O ATOM 730 CB GLN A 47 -16.220 -2.959 -23.728 1.00 50.40 C ATOM 731 CG GLN A 47 -16.472 -4.422 -23.361 1.00 23.43 C ATOM 732 CD GLN A 47 -15.153 -5.172 -23.163 1.00 21.44 C ATOM 733 OE1 GLN A 47 -14.333 -4.603 -22.283 1.00 74.12 O flip ATOM 734 NE2 GLN A 47 -14.896 -6.200 -23.768 1.00 75.13 N flip ATOM 0 H GLN A 47 -17.687 -0.154 -23.090 1.00 42.24 H new ATOM 0 HA GLN A 47 -18.123 -2.461 -24.550 1.00 25.45 H new ATOM 0 HB2 GLN A 47 -15.777 -2.901 -24.722 1.00 50.40 H new ATOM 0 HB3 GLN A 47 -15.501 -2.525 -23.033 1.00 50.40 H new ATOM 0 HG2 GLN A 47 -17.065 -4.475 -22.448 1.00 23.43 H new ATOM 0 HG3 GLN A 47 -17.054 -4.903 -24.147 1.00 23.43 H new ATOM 0 HE21 GLN A 47 -15.570 -6.584 -24.430 1.00 75.13 H new ATOM 0 HE22 GLN A 47 -14.007 -6.675 -23.611 1.00 75.13 H new ATOM 743 N VAL A 48 -19.134 -3.478 -22.489 1.00 25.11 N ATOM 744 CA VAL A 48 -19.948 -3.868 -21.350 1.00 64.23 C ATOM 745 C VAL A 48 -19.038 -4.367 -20.226 1.00 32.42 C ATOM 746 O VAL A 48 -18.476 -5.458 -20.315 1.00 12.10 O ATOM 747 CB VAL A 48 -20.989 -4.903 -21.781 1.00 64.45 C ATOM 748 CG1 VAL A 48 -21.383 -5.805 -20.610 1.00 61.00 C ATOM 749 CG2 VAL A 48 -22.218 -4.225 -22.389 1.00 42.40 C ATOM 0 H VAL A 48 -19.255 -4.059 -23.318 1.00 25.11 H new ATOM 0 HA VAL A 48 -20.501 -3.012 -20.964 1.00 64.23 H new ATOM 0 HB VAL A 48 -20.539 -5.530 -22.550 1.00 64.45 H new ATOM 0 HG11 VAL A 48 -22.124 -6.531 -20.944 1.00 61.00 H new ATOM 0 HG12 VAL A 48 -20.501 -6.329 -20.242 1.00 61.00 H new ATOM 0 HG13 VAL A 48 -21.805 -5.198 -19.809 1.00 61.00 H new ATOM 0 HG21 VAL A 48 -22.942 -4.983 -22.687 1.00 42.40 H new ATOM 0 HG22 VAL A 48 -22.670 -3.562 -21.651 1.00 42.40 H new ATOM 0 HG23 VAL A 48 -21.919 -3.646 -23.263 1.00 42.40 H new ATOM 759 N VAL A 49 -18.922 -3.545 -19.193 1.00 63.43 N ATOM 760 CA VAL A 49 -18.090 -3.890 -18.053 1.00 11.24 C ATOM 761 C VAL A 49 -18.985 -4.276 -16.873 1.00 4.21 C ATOM 762 O VAL A 49 -19.580 -3.411 -16.232 1.00 22.44 O ATOM 763 CB VAL A 49 -17.140 -2.735 -17.730 1.00 12.43 C ATOM 764 CG1 VAL A 49 -16.252 -3.074 -16.531 1.00 40.11 C ATOM 765 CG2 VAL A 49 -16.296 -2.362 -18.950 1.00 1.41 C ATOM 0 H VAL A 49 -19.390 -2.642 -19.122 1.00 63.43 H new ATOM 0 HA VAL A 49 -17.465 -4.753 -18.283 1.00 11.24 H new ATOM 0 HB VAL A 49 -17.745 -1.868 -17.464 1.00 12.43 H new ATOM 0 HG11 VAL A 49 -15.586 -2.236 -16.323 1.00 40.11 H new ATOM 0 HG12 VAL A 49 -16.877 -3.267 -15.659 1.00 40.11 H new ATOM 0 HG13 VAL A 49 -15.660 -3.961 -16.756 1.00 40.11 H new ATOM 0 HG21 VAL A 49 -15.629 -1.539 -18.693 1.00 1.41 H new ATOM 0 HG22 VAL A 49 -15.705 -3.224 -19.261 1.00 1.41 H new ATOM 0 HG23 VAL A 49 -16.951 -2.058 -19.766 1.00 1.41 H new ATOM 775 N PRO A 50 -19.053 -5.610 -16.616 1.00 1.53 N ATOM 776 CA PRO A 50 -19.865 -6.121 -15.524 1.00 43.35 C ATOM 777 C PRO A 50 -19.195 -5.859 -14.174 1.00 31.42 C ATOM 778 O PRO A 50 -17.970 -5.792 -14.087 1.00 20.31 O ATOM 779 CB PRO A 50 -20.040 -7.600 -15.824 1.00 60.52 C ATOM 780 CG PRO A 50 -18.942 -7.959 -16.812 1.00 41.55 C ATOM 781 CD PRO A 50 -18.362 -6.662 -17.354 1.00 63.32 C ATOM 0 HA PRO A 50 -20.833 -5.626 -15.451 1.00 43.35 H new ATOM 0 HB2 PRO A 50 -19.957 -8.195 -14.915 1.00 60.52 H new ATOM 0 HB3 PRO A 50 -21.025 -7.799 -16.246 1.00 60.52 H new ATOM 0 HG2 PRO A 50 -18.167 -8.549 -16.324 1.00 41.55 H new ATOM 0 HG3 PRO A 50 -19.342 -8.567 -17.623 1.00 41.55 H new ATOM 0 HD2 PRO A 50 -17.285 -6.614 -17.197 1.00 63.32 H new ATOM 0 HD3 PRO A 50 -18.532 -6.570 -18.427 1.00 63.32 H new ATOM 789 N MET A 51 -20.029 -5.719 -13.154 1.00 24.15 N ATOM 790 CA MET A 51 -19.533 -5.467 -11.811 1.00 43.22 C ATOM 791 C MET A 51 -18.438 -6.468 -11.434 1.00 15.52 C ATOM 792 O MET A 51 -18.512 -7.640 -11.799 1.00 2.13 O ATOM 793 CB MET A 51 -20.687 -5.571 -10.812 1.00 61.34 C ATOM 794 CG MET A 51 -20.200 -5.320 -9.384 1.00 11.32 C ATOM 795 SD MET A 51 -21.357 -6.011 -8.214 1.00 14.12 S ATOM 796 CE MET A 51 -22.812 -5.058 -8.617 1.00 31.30 C ATOM 0 H MET A 51 -21.045 -5.775 -13.230 1.00 24.15 H new ATOM 0 HA MET A 51 -19.107 -4.464 -11.783 1.00 43.22 H new ATOM 0 HB2 MET A 51 -21.461 -4.848 -11.068 1.00 61.34 H new ATOM 0 HB3 MET A 51 -21.141 -6.560 -10.877 1.00 61.34 H new ATOM 0 HG2 MET A 51 -19.216 -5.768 -9.243 1.00 11.32 H new ATOM 0 HG3 MET A 51 -20.091 -4.249 -9.211 1.00 11.32 H new ATOM 0 HE1 MET A 51 -23.670 -5.458 -8.077 1.00 31.30 H new ATOM 0 HE2 MET A 51 -22.656 -4.018 -8.331 1.00 31.30 H new ATOM 0 HE3 MET A 51 -22.999 -5.115 -9.689 1.00 31.30 H new ATOM 806 N GLY A 52 -17.449 -5.968 -10.708 1.00 32.02 N ATOM 807 CA GLY A 52 -16.341 -6.804 -10.277 1.00 12.40 C ATOM 808 C GLY A 52 -15.255 -6.872 -11.353 1.00 11.45 C ATOM 809 O GLY A 52 -14.147 -7.338 -11.092 1.00 71.03 O ATOM 0 H GLY A 52 -17.392 -4.995 -10.407 1.00 32.02 H new ATOM 0 HA2 GLY A 52 -15.919 -6.407 -9.354 1.00 12.40 H new ATOM 0 HA3 GLY A 52 -16.703 -7.808 -10.056 1.00 12.40 H new ATOM 813 N THR A 53 -15.611 -6.399 -12.538 1.00 61.32 N ATOM 814 CA THR A 53 -14.680 -6.401 -13.654 1.00 54.42 C ATOM 815 C THR A 53 -13.775 -5.169 -13.595 1.00 50.20 C ATOM 816 O THR A 53 -14.248 -4.040 -13.720 1.00 4.04 O ATOM 817 CB THR A 53 -15.493 -6.496 -14.947 1.00 61.11 C ATOM 818 OG1 THR A 53 -16.315 -7.645 -14.757 1.00 4.53 O ATOM 819 CG2 THR A 53 -14.628 -6.853 -16.157 1.00 63.44 C ATOM 0 H THR A 53 -16.531 -6.012 -12.750 1.00 61.32 H new ATOM 0 HA THR A 53 -14.011 -7.260 -13.610 1.00 54.42 H new ATOM 0 HB THR A 53 -15.998 -5.547 -15.129 1.00 61.11 H new ATOM 0 HG1 THR A 53 -17.206 -7.364 -14.461 1.00 4.53 H new ATOM 0 HG21 THR A 53 -15.254 -6.908 -17.048 1.00 63.44 H new ATOM 0 HG22 THR A 53 -13.864 -6.088 -16.296 1.00 63.44 H new ATOM 0 HG23 THR A 53 -14.149 -7.818 -15.990 1.00 63.44 H new ATOM 827 N THR A 54 -12.490 -5.427 -13.405 1.00 24.31 N ATOM 828 CA THR A 54 -11.514 -4.354 -13.328 1.00 4.43 C ATOM 829 C THR A 54 -11.666 -3.407 -14.520 1.00 74.42 C ATOM 830 O THR A 54 -11.952 -3.847 -15.633 1.00 50.41 O ATOM 831 CB THR A 54 -10.124 -4.985 -13.227 1.00 5.52 C ATOM 832 OG1 THR A 54 -10.220 -5.860 -12.106 1.00 51.25 O ATOM 833 CG2 THR A 54 -9.050 -3.974 -12.818 1.00 41.24 C ATOM 0 H THR A 54 -12.102 -6.365 -13.302 1.00 24.31 H new ATOM 0 HA THR A 54 -11.673 -3.739 -12.442 1.00 4.43 H new ATOM 0 HB THR A 54 -9.858 -5.431 -14.186 1.00 5.52 H new ATOM 0 HG1 THR A 54 -9.652 -6.645 -12.254 1.00 51.25 H new ATOM 0 HG21 THR A 54 -8.083 -4.474 -12.761 1.00 41.24 H new ATOM 0 HG22 THR A 54 -9.002 -3.175 -13.557 1.00 41.24 H new ATOM 0 HG23 THR A 54 -9.299 -3.553 -11.844 1.00 41.24 H new ATOM 841 N LEU A 55 -11.469 -2.126 -14.247 1.00 72.00 N ATOM 842 CA LEU A 55 -11.581 -1.114 -15.284 1.00 14.04 C ATOM 843 C LEU A 55 -10.219 -0.923 -15.954 1.00 32.23 C ATOM 844 O LEU A 55 -9.198 -0.824 -15.275 1.00 51.22 O ATOM 845 CB LEU A 55 -12.171 0.176 -14.711 1.00 11.51 C ATOM 846 CG LEU A 55 -13.655 0.419 -14.994 1.00 11.13 C ATOM 847 CD1 LEU A 55 -14.072 1.827 -14.564 1.00 71.10 C ATOM 848 CD2 LEU A 55 -13.985 0.147 -16.463 1.00 20.23 C ATOM 0 H LEU A 55 -11.232 -1.765 -13.323 1.00 72.00 H new ATOM 0 HA LEU A 55 -12.275 -1.438 -16.060 1.00 14.04 H new ATOM 0 HB2 LEU A 55 -12.024 0.171 -13.631 1.00 11.51 H new ATOM 0 HB3 LEU A 55 -11.603 1.018 -15.106 1.00 11.51 H new ATOM 0 HG LEU A 55 -14.236 -0.285 -14.398 1.00 11.13 H new ATOM 0 HD11 LEU A 55 -15.131 1.974 -14.776 1.00 71.10 H new ATOM 0 HD12 LEU A 55 -13.896 1.948 -13.495 1.00 71.10 H new ATOM 0 HD13 LEU A 55 -13.486 2.564 -15.114 1.00 71.10 H new ATOM 0 HD21 LEU A 55 -15.046 0.327 -16.637 1.00 20.23 H new ATOM 0 HD22 LEU A 55 -13.396 0.809 -17.097 1.00 20.23 H new ATOM 0 HD23 LEU A 55 -13.749 -0.890 -16.703 1.00 20.23 H new ATOM 860 N MET A 56 -10.248 -0.878 -17.278 1.00 1.15 N ATOM 861 CA MET A 56 -9.028 -0.701 -18.047 1.00 11.21 C ATOM 862 C MET A 56 -9.063 0.610 -18.836 1.00 24.14 C ATOM 863 O MET A 56 -10.135 1.151 -19.100 1.00 42.30 O ATOM 864 CB MET A 56 -8.859 -1.874 -19.014 1.00 34.41 C ATOM 865 CG MET A 56 -8.785 -3.202 -18.257 1.00 71.10 C ATOM 866 SD MET A 56 -7.087 -3.585 -17.862 1.00 31.22 S ATOM 867 CE MET A 56 -7.261 -4.025 -16.141 1.00 11.35 C ATOM 0 H MET A 56 -11.097 -0.961 -17.837 1.00 1.15 H new ATOM 0 HA MET A 56 -8.187 -0.665 -17.355 1.00 11.21 H new ATOM 0 HB2 MET A 56 -9.694 -1.896 -19.714 1.00 34.41 H new ATOM 0 HB3 MET A 56 -7.953 -1.736 -19.604 1.00 34.41 H new ATOM 0 HG2 MET A 56 -9.375 -3.142 -17.343 1.00 71.10 H new ATOM 0 HG3 MET A 56 -9.215 -4.000 -18.863 1.00 71.10 H new ATOM 0 HE1 MET A 56 -6.276 -4.069 -15.675 1.00 11.35 H new ATOM 0 HE2 MET A 56 -7.869 -3.276 -15.634 1.00 11.35 H new ATOM 0 HE3 MET A 56 -7.744 -4.999 -16.061 1.00 11.35 H new ATOM 877 N PRO A 57 -7.845 1.094 -19.198 1.00 42.55 N ATOM 878 CA PRO A 57 -7.726 2.331 -19.952 1.00 4.35 C ATOM 879 C PRO A 57 -8.117 2.122 -21.416 1.00 31.23 C ATOM 880 O PRO A 57 -8.257 3.084 -22.169 1.00 2.55 O ATOM 881 CB PRO A 57 -6.277 2.759 -19.779 1.00 72.22 C ATOM 882 CG PRO A 57 -5.527 1.516 -19.329 1.00 4.23 C ATOM 883 CD PRO A 57 -6.554 0.480 -18.903 1.00 2.03 C ATOM 0 HA PRO A 57 -8.403 3.108 -19.595 1.00 4.35 H new ATOM 0 HB2 PRO A 57 -5.869 3.144 -20.713 1.00 72.22 H new ATOM 0 HB3 PRO A 57 -6.191 3.556 -19.041 1.00 72.22 H new ATOM 0 HG2 PRO A 57 -4.908 1.129 -20.139 1.00 4.23 H new ATOM 0 HG3 PRO A 57 -4.858 1.753 -18.502 1.00 4.23 H new ATOM 0 HD2 PRO A 57 -6.425 -0.454 -19.451 1.00 2.03 H new ATOM 0 HD3 PRO A 57 -6.461 0.243 -17.843 1.00 2.03 H new ATOM 891 N ASP A 58 -8.283 0.858 -21.775 1.00 73.54 N ATOM 892 CA ASP A 58 -8.656 0.509 -23.136 1.00 11.40 C ATOM 893 C ASP A 58 -10.133 0.112 -23.170 1.00 13.14 C ATOM 894 O ASP A 58 -10.614 -0.420 -24.169 1.00 30.21 O ATOM 895 CB ASP A 58 -7.836 -0.677 -23.645 1.00 63.33 C ATOM 896 CG ASP A 58 -6.531 -0.305 -24.352 1.00 62.43 C ATOM 897 OD1 ASP A 58 -5.990 0.793 -24.158 1.00 3.12 O ATOM 898 OD2 ASP A 58 -6.062 -1.211 -25.143 1.00 11.40 O ATOM 0 H ASP A 58 -8.166 0.062 -21.147 1.00 73.54 H new ATOM 0 HA ASP A 58 -8.468 1.376 -23.770 1.00 11.40 H new ATOM 0 HB2 ASP A 58 -7.602 -1.327 -22.801 1.00 63.33 H new ATOM 0 HB3 ASP A 58 -8.452 -1.257 -24.333 1.00 63.33 H new ATOM 904 N MET A 59 -10.812 0.386 -22.065 1.00 50.23 N ATOM 905 CA MET A 59 -12.225 0.064 -21.956 1.00 3.13 C ATOM 906 C MET A 59 -13.055 1.321 -21.688 1.00 4.21 C ATOM 907 O MET A 59 -14.263 1.238 -21.471 1.00 64.55 O ATOM 908 CB MET A 59 -12.433 -0.938 -20.818 1.00 53.42 C ATOM 909 CG MET A 59 -11.992 -2.342 -21.236 1.00 44.40 C ATOM 910 SD MET A 59 -12.701 -3.557 -20.138 1.00 54.12 S ATOM 911 CE MET A 59 -12.321 -2.810 -18.562 1.00 74.30 C ATOM 0 H MET A 59 -10.410 0.827 -21.238 1.00 50.23 H new ATOM 0 HA MET A 59 -12.554 -0.371 -22.900 1.00 3.13 H new ATOM 0 HB2 MET A 59 -11.867 -0.621 -19.942 1.00 53.42 H new ATOM 0 HB3 MET A 59 -13.484 -0.954 -20.530 1.00 53.42 H new ATOM 0 HG2 MET A 59 -12.305 -2.540 -22.261 1.00 44.40 H new ATOM 0 HG3 MET A 59 -10.904 -2.412 -21.215 1.00 44.40 H new ATOM 0 HE1 MET A 59 -12.773 -3.397 -17.763 1.00 74.30 H new ATOM 0 HE2 MET A 59 -11.240 -2.781 -18.424 1.00 74.30 H new ATOM 0 HE3 MET A 59 -12.718 -1.795 -18.535 1.00 74.30 H new ATOM 921 N VAL A 60 -12.373 2.457 -21.711 1.00 54.42 N ATOM 922 CA VAL A 60 -13.033 3.730 -21.474 1.00 4.34 C ATOM 923 C VAL A 60 -12.873 4.620 -22.708 1.00 14.42 C ATOM 924 O VAL A 60 -11.794 4.687 -23.295 1.00 34.05 O ATOM 925 CB VAL A 60 -12.485 4.373 -20.198 1.00 44.40 C ATOM 926 CG1 VAL A 60 -13.105 5.753 -19.969 1.00 74.21 C ATOM 927 CG2 VAL A 60 -12.706 3.465 -18.987 1.00 62.42 C ATOM 0 H VAL A 60 -11.371 2.522 -21.890 1.00 54.42 H new ATOM 0 HA VAL A 60 -14.101 3.583 -21.316 1.00 4.34 H new ATOM 0 HB VAL A 60 -11.411 4.505 -20.325 1.00 44.40 H new ATOM 0 HG11 VAL A 60 -12.698 6.188 -19.056 1.00 74.21 H new ATOM 0 HG12 VAL A 60 -12.873 6.401 -20.814 1.00 74.21 H new ATOM 0 HG13 VAL A 60 -14.186 5.655 -19.874 1.00 74.21 H new ATOM 0 HG21 VAL A 60 -12.307 3.946 -18.094 1.00 62.42 H new ATOM 0 HG22 VAL A 60 -13.773 3.286 -18.857 1.00 62.42 H new ATOM 0 HG23 VAL A 60 -12.195 2.515 -19.146 1.00 62.42 H new ATOM 937 N LYS A 61 -13.964 5.282 -23.065 1.00 51.14 N ATOM 938 CA LYS A 61 -13.959 6.165 -24.219 1.00 51.42 C ATOM 939 C LYS A 61 -13.557 7.574 -23.776 1.00 72.43 C ATOM 940 O LYS A 61 -13.874 7.992 -22.664 1.00 2.41 O ATOM 941 CB LYS A 61 -15.306 6.109 -24.943 1.00 0.22 C ATOM 942 CG LYS A 61 -16.098 4.866 -24.532 1.00 3.01 C ATOM 943 CD LYS A 61 -17.003 4.391 -25.671 1.00 4.15 C ATOM 944 CE LYS A 61 -18.417 4.103 -25.163 1.00 61.20 C ATOM 945 NZ LYS A 61 -19.397 4.993 -25.825 1.00 64.13 N ATOM 0 H LYS A 61 -14.857 5.225 -22.576 1.00 51.14 H new ATOM 0 HA LYS A 61 -13.218 5.835 -24.947 1.00 51.42 H new ATOM 0 HB2 LYS A 61 -15.883 7.005 -24.714 1.00 0.22 H new ATOM 0 HB3 LYS A 61 -15.144 6.101 -26.021 1.00 0.22 H new ATOM 0 HG2 LYS A 61 -15.410 4.068 -24.252 1.00 3.01 H new ATOM 0 HG3 LYS A 61 -16.701 5.089 -23.652 1.00 3.01 H new ATOM 0 HD2 LYS A 61 -17.041 5.151 -26.451 1.00 4.15 H new ATOM 0 HD3 LYS A 61 -16.584 3.491 -26.122 1.00 4.15 H new ATOM 0 HE2 LYS A 61 -18.674 3.062 -25.356 1.00 61.20 H new ATOM 0 HE3 LYS A 61 -18.458 4.246 -24.083 1.00 61.20 H new ATOM 0 HZ1 LYS A 61 -20.266 4.460 -26.031 1.00 64.13 H new ATOM 0 HZ2 LYS A 61 -19.621 5.791 -25.197 1.00 64.13 H new ATOM 0 HZ3 LYS A 61 -18.994 5.354 -26.713 1.00 64.13 H new ATOM 958 N GLY A 62 -12.866 8.266 -24.670 1.00 25.53 N ATOM 959 CA GLY A 62 -12.417 9.618 -24.385 1.00 30.01 C ATOM 960 C GLY A 62 -11.444 9.636 -23.204 1.00 61.24 C ATOM 961 O GLY A 62 -11.183 10.690 -22.626 1.00 60.33 O ATOM 0 H GLY A 62 -12.606 7.916 -25.592 1.00 25.53 H new ATOM 0 HA2 GLY A 62 -11.932 10.037 -25.267 1.00 30.01 H new ATOM 0 HA3 GLY A 62 -13.276 10.251 -24.163 1.00 30.01 H new ATOM 965 N TYR A 63 -10.934 8.457 -22.882 1.00 24.55 N ATOM 966 CA TYR A 63 -9.995 8.323 -21.780 1.00 50.33 C ATOM 967 C TYR A 63 -8.565 8.611 -22.241 1.00 64.42 C ATOM 968 O TYR A 63 -8.317 8.793 -23.432 1.00 52.02 O ATOM 969 CB TYR A 63 -10.087 6.867 -21.321 1.00 74.23 C ATOM 970 CG TYR A 63 -9.085 6.494 -20.228 1.00 4.24 C ATOM 971 CD1 TYR A 63 -7.819 6.063 -20.570 1.00 1.24 C ATOM 972 CD2 TYR A 63 -9.446 6.589 -18.899 1.00 4.12 C ATOM 973 CE1 TYR A 63 -6.875 5.713 -19.540 1.00 71.42 C ATOM 974 CE2 TYR A 63 -8.502 6.238 -17.869 1.00 42.54 C ATOM 975 CZ TYR A 63 -7.263 5.817 -18.241 1.00 11.41 C ATOM 976 OH TYR A 63 -6.372 5.486 -17.269 1.00 4.34 O ATOM 0 H TYR A 63 -11.153 7.585 -23.364 1.00 24.55 H new ATOM 0 HA TYR A 63 -10.235 9.028 -20.984 1.00 50.33 H new ATOM 0 HB2 TYR A 63 -11.096 6.675 -20.955 1.00 74.23 H new ATOM 0 HB3 TYR A 63 -9.930 6.215 -22.181 1.00 74.23 H new ATOM 0 HD1 TYR A 63 -7.536 5.988 -21.610 1.00 1.24 H new ATOM 0 HD2 TYR A 63 -10.436 6.927 -18.631 1.00 4.12 H new ATOM 0 HE1 TYR A 63 -5.881 5.375 -19.794 1.00 71.42 H new ATOM 0 HE2 TYR A 63 -8.772 6.307 -16.826 1.00 42.54 H new ATOM 0 HH TYR A 63 -6.551 6.019 -16.466 1.00 4.34 H new ATOM 986 N ALA A 64 -7.660 8.642 -21.274 1.00 32.25 N ATOM 987 CA ALA A 64 -6.261 8.904 -21.565 1.00 60.21 C ATOM 988 C ALA A 64 -5.546 9.322 -20.279 1.00 30.34 C ATOM 989 O ALA A 64 -6.187 9.736 -19.314 1.00 53.23 O ATOM 990 CB ALA A 64 -6.158 9.966 -22.661 1.00 0.41 C ATOM 0 H ALA A 64 -7.869 8.490 -20.287 1.00 32.25 H new ATOM 0 HA ALA A 64 -5.771 8.004 -21.936 1.00 60.21 H new ATOM 0 HB1 ALA A 64 -5.108 10.163 -22.879 1.00 0.41 H new ATOM 0 HB2 ALA A 64 -6.655 9.608 -23.562 1.00 0.41 H new ATOM 0 HB3 ALA A 64 -6.637 10.885 -22.323 1.00 0.41 H new ATOM 996 N PRO A 65 -4.192 9.195 -20.306 1.00 72.12 N ATOM 997 CA PRO A 65 -3.383 9.555 -19.154 1.00 72.42 C ATOM 998 C PRO A 65 -3.273 11.074 -19.015 1.00 4.23 C ATOM 999 O PRO A 65 -4.068 11.814 -19.592 1.00 60.33 O ATOM 1000 CB PRO A 65 -2.041 8.881 -19.390 1.00 34.51 C ATOM 1001 CG PRO A 65 -1.992 8.557 -20.874 1.00 54.23 C ATOM 1002 CD PRO A 65 -3.399 8.708 -21.431 1.00 22.52 C ATOM 0 HA PRO A 65 -3.820 9.223 -18.212 1.00 72.42 H new ATOM 0 HB2 PRO A 65 -1.219 9.538 -19.106 1.00 34.51 H new ATOM 0 HB3 PRO A 65 -1.948 7.976 -18.789 1.00 34.51 H new ATOM 0 HG2 PRO A 65 -1.304 9.228 -21.389 1.00 54.23 H new ATOM 0 HG3 PRO A 65 -1.626 7.542 -21.031 1.00 54.23 H new ATOM 0 HD2 PRO A 65 -3.422 9.410 -22.265 1.00 22.52 H new ATOM 0 HD3 PRO A 65 -3.782 7.758 -21.803 1.00 22.52 H new ATOM 1010 N ALA A 66 -2.280 11.495 -18.245 1.00 1.12 N ATOM 1011 CA ALA A 66 -2.055 12.913 -18.022 1.00 41.22 C ATOM 1012 C ALA A 66 -0.642 13.279 -18.480 1.00 25.01 C ATOM 1013 O ALA A 66 0.222 13.584 -17.658 1.00 75.23 O ATOM 1014 CB ALA A 66 -2.294 13.243 -16.547 1.00 63.24 C ATOM 0 H ALA A 66 -1.622 10.879 -17.768 1.00 1.12 H new ATOM 0 HA ALA A 66 -2.756 13.509 -18.607 1.00 41.22 H new ATOM 0 HB1 ALA A 66 -2.125 14.307 -16.380 1.00 63.24 H new ATOM 0 HB2 ALA A 66 -3.321 12.992 -16.280 1.00 63.24 H new ATOM 0 HB3 ALA A 66 -1.607 12.665 -15.929 1.00 63.24 H new TER 1020 ALA A 66