USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 589 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 66 THR OG1 : rot 61:sc= -5.47! USER MOD Set 1.2: A 68 GLN :FLIP amide:sc= -6.35! C(o=-13!,f=-12!) USER MOD Single : A 1 ALA N :NH3+ -97:sc= 0.749 (180deg=-1.55!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -163:sc= -0.0275 (180deg=-0.321) USER MOD Single : A 5 THR OG1 : rot -127:sc= -0.0618 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 170:sc= -0.64 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -100:sc= -1.72 (180deg=-2.31!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 110:sc= -0.152 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -163:sc=-0.00916 (180deg=-0.318) USER MOD Single : A 41 THR OG1 : rot 72:sc= 1.16 USER MOD Single : A 46 MET CE :methyl -149:sc= 0 (180deg=-0.0224) USER MOD Single : A 47 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.3) USER MOD Single : A 55 ASN : amide:sc= -0.404 X(o=-0.4,f=-0.89) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc=-0.00644 (180deg=-0.0728) USER MOD Single : A 62 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.46) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.166 K(o=-0.17,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.917 -7.565 1.656 1.00 1.00 N ATOM 2 CA ALA A 1 -9.313 -7.558 0.296 1.00 1.00 C ATOM 3 C ALA A 1 -8.917 -8.976 -0.092 1.00 1.00 C ATOM 4 O ALA A 1 -8.557 -9.789 0.759 1.00 1.00 O ATOM 5 CB ALA A 1 -8.077 -6.657 0.289 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.954 -7.587 1.575 1.00 1.00 H new ATOM 0 H2 ALA A 1 -9.592 -8.405 2.176 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.628 -6.708 2.169 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.039 -7.177 -0.422 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.636 -6.653 -0.708 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.365 -5.642 0.563 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.348 -7.033 1.007 1.00 1.00 H new ATOM 13 N LYS A 2 -8.981 -9.263 -1.388 1.00 1.00 N ATOM 14 CA LYS A 2 -8.624 -10.585 -1.888 1.00 1.00 C ATOM 15 C LYS A 2 -7.108 -10.719 -1.990 1.00 1.00 C ATOM 16 O LYS A 2 -6.373 -9.746 -1.833 1.00 1.00 O ATOM 17 CB LYS A 2 -9.259 -10.810 -3.274 1.00 1.00 C ATOM 18 CG LYS A 2 -9.240 -9.493 -4.085 1.00 1.00 C ATOM 19 CD LYS A 2 -10.554 -8.713 -3.876 1.00 1.00 C ATOM 20 CE LYS A 2 -11.633 -9.227 -4.838 1.00 1.00 C ATOM 21 NZ LYS A 2 -12.896 -8.468 -4.620 1.00 1.00 N ATOM 0 H LYS A 2 -9.275 -8.602 -2.107 1.00 1.00 H new ATOM 0 HA LYS A 2 -9.000 -11.336 -1.193 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.713 -11.586 -3.811 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.284 -11.162 -3.161 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.393 -8.880 -3.776 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -9.105 -9.713 -5.144 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -10.892 -8.824 -2.846 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.385 -7.649 -4.043 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -11.300 -9.111 -5.870 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -11.803 -10.291 -4.675 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -13.627 -8.816 -5.272 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -13.215 -8.600 -3.639 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -12.728 -7.457 -4.796 1.00 1.00 H new ATOM 35 N LYS A 3 -6.651 -11.936 -2.259 1.00 1.00 N ATOM 36 CA LYS A 3 -5.224 -12.194 -2.392 1.00 1.00 C ATOM 37 C LYS A 3 -4.664 -11.476 -3.617 1.00 1.00 C ATOM 38 O LYS A 3 -3.491 -11.105 -3.646 1.00 1.00 O ATOM 39 CB LYS A 3 -4.977 -13.707 -2.523 1.00 1.00 C ATOM 40 CG LYS A 3 -5.988 -14.335 -3.522 1.00 1.00 C ATOM 41 CD LYS A 3 -7.089 -15.096 -2.769 1.00 1.00 C ATOM 42 CE LYS A 3 -8.032 -15.754 -3.774 1.00 1.00 C ATOM 43 NZ LYS A 3 -8.766 -14.701 -4.532 1.00 1.00 N ATOM 0 H LYS A 3 -7.245 -12.755 -2.389 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.718 -11.819 -1.502 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -3.958 -13.888 -2.865 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -5.075 -14.184 -1.548 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -6.434 -13.553 -4.137 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -5.467 -15.013 -4.198 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -6.645 -15.852 -2.121 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -7.644 -14.412 -2.127 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -7.466 -16.384 -4.461 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -8.738 -16.402 -3.255 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -9.595 -15.122 -4.997 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -9.077 -13.955 -3.877 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -8.138 -14.290 -5.252 1.00 1.00 H new ATOM 57 N GLU A 4 -5.506 -11.294 -4.632 1.00 1.00 N ATOM 58 CA GLU A 4 -5.075 -10.631 -5.860 1.00 1.00 C ATOM 59 C GLU A 4 -4.705 -9.175 -5.589 1.00 1.00 C ATOM 60 O GLU A 4 -3.626 -8.729 -5.966 1.00 1.00 O ATOM 61 CB GLU A 4 -6.192 -10.687 -6.906 1.00 1.00 C ATOM 62 CG GLU A 4 -5.661 -10.201 -8.259 1.00 1.00 C ATOM 63 CD GLU A 4 -4.685 -11.224 -8.831 1.00 1.00 C ATOM 64 OE1 GLU A 4 -4.580 -12.297 -8.261 1.00 1.00 O ATOM 65 OE2 GLU A 4 -4.055 -10.917 -9.831 1.00 1.00 O ATOM 0 H GLU A 4 -6.481 -11.593 -4.629 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.195 -11.152 -6.237 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -6.567 -11.707 -6.997 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -7.030 -10.066 -6.590 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -6.489 -10.049 -8.951 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -5.164 -9.238 -8.140 1.00 1.00 H new ATOM 72 N THR A 5 -5.602 -8.445 -4.929 1.00 1.00 N ATOM 73 CA THR A 5 -5.359 -7.036 -4.617 1.00 1.00 C ATOM 74 C THR A 5 -4.101 -6.884 -3.770 1.00 1.00 C ATOM 75 O THR A 5 -3.304 -5.970 -3.981 1.00 1.00 O ATOM 76 CB THR A 5 -6.563 -6.454 -3.869 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.754 -6.790 -4.566 1.00 1.00 O ATOM 78 CG2 THR A 5 -6.442 -4.931 -3.779 1.00 1.00 C ATOM 0 H THR A 5 -6.499 -8.802 -4.601 1.00 1.00 H new ATOM 0 HA THR A 5 -5.217 -6.493 -5.551 1.00 1.00 H new ATOM 0 HB THR A 5 -6.592 -6.869 -2.861 1.00 1.00 H new ATOM 0 HG1 THR A 5 -8.277 -5.978 -4.730 1.00 1.00 H new ATOM 0 HG21 THR A 5 -7.303 -4.528 -3.246 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.529 -4.670 -3.244 1.00 1.00 H new ATOM 0 HG23 THR A 5 -6.408 -4.509 -4.783 1.00 1.00 H new ATOM 86 N ILE A 6 -3.930 -7.784 -2.815 1.00 1.00 N ATOM 87 CA ILE A 6 -2.764 -7.749 -1.942 1.00 1.00 C ATOM 88 C ILE A 6 -1.487 -7.910 -2.761 1.00 1.00 C ATOM 89 O ILE A 6 -0.488 -7.235 -2.511 1.00 1.00 O ATOM 90 CB ILE A 6 -2.857 -8.863 -0.894 1.00 1.00 C ATOM 91 CG1 ILE A 6 -4.003 -8.550 0.072 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.542 -8.956 -0.112 1.00 1.00 C ATOM 93 CD1 ILE A 6 -4.287 -9.768 0.956 1.00 1.00 C ATOM 0 H ILE A 6 -4.580 -8.546 -2.624 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.737 -6.785 -1.433 1.00 1.00 H new ATOM 0 HB ILE A 6 -3.043 -9.814 -1.393 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -3.743 -7.692 0.692 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.898 -8.279 -0.488 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.616 -9.750 0.631 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.725 -9.177 -0.799 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.349 -8.007 0.389 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -5.103 -9.538 1.641 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -4.566 -10.615 0.329 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -3.394 -10.019 1.528 1.00 1.00 H new ATOM 105 N ASP A 7 -1.521 -8.815 -3.732 1.00 1.00 N ATOM 106 CA ASP A 7 -0.357 -9.060 -4.569 1.00 1.00 C ATOM 107 C ASP A 7 0.042 -7.793 -5.317 1.00 1.00 C ATOM 108 O ASP A 7 1.227 -7.488 -5.447 1.00 1.00 O ATOM 109 CB ASP A 7 -0.665 -10.171 -5.575 1.00 1.00 C ATOM 110 CG ASP A 7 -0.745 -11.515 -4.860 1.00 1.00 C ATOM 111 OD1 ASP A 7 -0.300 -11.590 -3.726 1.00 1.00 O ATOM 112 OD2 ASP A 7 -1.254 -12.450 -5.455 1.00 1.00 O ATOM 0 H ASP A 7 -2.336 -9.386 -3.957 1.00 1.00 H new ATOM 0 HA ASP A 7 0.470 -9.366 -3.929 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -1.607 -9.963 -6.082 1.00 1.00 H new ATOM 0 HB3 ASP A 7 0.109 -10.203 -6.342 1.00 1.00 H new ATOM 117 N LYS A 8 -0.949 -7.059 -5.817 1.00 1.00 N ATOM 118 CA LYS A 8 -0.662 -5.835 -6.557 1.00 1.00 C ATOM 119 C LYS A 8 0.024 -4.807 -5.666 1.00 1.00 C ATOM 120 O LYS A 8 1.031 -4.214 -6.052 1.00 1.00 O ATOM 121 CB LYS A 8 -1.952 -5.237 -7.112 1.00 1.00 C ATOM 122 CG LYS A 8 -2.755 -6.317 -7.861 1.00 1.00 C ATOM 123 CD LYS A 8 -3.601 -5.664 -8.957 1.00 1.00 C ATOM 124 CE LYS A 8 -4.516 -4.621 -8.319 1.00 1.00 C ATOM 125 NZ LYS A 8 -5.574 -4.222 -9.292 1.00 1.00 N ATOM 0 H LYS A 8 -1.939 -7.285 -5.726 1.00 1.00 H new ATOM 0 HA LYS A 8 0.006 -6.092 -7.379 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.551 -4.826 -6.299 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.720 -4.412 -7.786 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -2.077 -7.049 -8.299 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.398 -6.855 -7.164 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -2.957 -5.196 -9.702 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.193 -6.418 -9.476 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -4.972 -5.026 -7.416 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -3.936 -3.748 -8.019 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -6.196 -3.512 -8.856 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -5.130 -3.819 -10.142 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -6.134 -5.057 -9.557 1.00 1.00 H new ATOM 139 N VAL A 9 -0.527 -4.594 -4.472 1.00 1.00 N ATOM 140 CA VAL A 9 0.048 -3.630 -3.542 1.00 1.00 C ATOM 141 C VAL A 9 1.431 -4.095 -3.088 1.00 1.00 C ATOM 142 O VAL A 9 2.381 -3.317 -3.069 1.00 1.00 O ATOM 143 CB VAL A 9 -0.871 -3.453 -2.324 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.285 -2.412 -1.366 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.252 -2.981 -2.785 1.00 1.00 C ATOM 0 H VAL A 9 -1.361 -5.071 -4.131 1.00 1.00 H new ATOM 0 HA VAL A 9 0.147 -2.671 -4.052 1.00 1.00 H new ATOM 0 HB VAL A 9 -0.957 -4.410 -1.810 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -0.946 -2.296 -0.507 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.697 -2.742 -1.027 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.189 -1.457 -1.882 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -2.902 -2.856 -1.919 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.156 -2.029 -3.306 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.683 -3.721 -3.459 1.00 1.00 H new ATOM 155 N SER A 10 1.539 -5.371 -2.728 1.00 1.00 N ATOM 156 CA SER A 10 2.811 -5.925 -2.277 1.00 1.00 C ATOM 157 C SER A 10 3.854 -5.838 -3.384 1.00 1.00 C ATOM 158 O SER A 10 5.021 -5.545 -3.129 1.00 1.00 O ATOM 159 CB SER A 10 2.627 -7.388 -1.872 1.00 1.00 C ATOM 160 OG SER A 10 2.237 -8.146 -3.010 1.00 1.00 O ATOM 0 H SER A 10 0.766 -6.037 -2.740 1.00 1.00 H new ATOM 0 HA SER A 10 3.153 -5.346 -1.419 1.00 1.00 H new ATOM 0 HB2 SER A 10 3.555 -7.782 -1.459 1.00 1.00 H new ATOM 0 HB3 SER A 10 1.871 -7.469 -1.091 1.00 1.00 H new ATOM 0 HG SER A 10 2.274 -9.101 -2.795 1.00 1.00 H new ATOM 166 N ASP A 11 3.426 -6.098 -4.612 1.00 1.00 N ATOM 167 CA ASP A 11 4.333 -6.051 -5.748 1.00 1.00 C ATOM 168 C ASP A 11 4.902 -4.649 -5.928 1.00 1.00 C ATOM 169 O ASP A 11 6.093 -4.476 -6.164 1.00 1.00 O ATOM 170 CB ASP A 11 3.595 -6.472 -7.018 1.00 1.00 C ATOM 171 CG ASP A 11 3.340 -7.976 -6.998 1.00 1.00 C ATOM 172 OD1 ASP A 11 3.855 -8.633 -6.107 1.00 1.00 O ATOM 173 OD2 ASP A 11 2.632 -8.450 -7.872 1.00 1.00 O ATOM 0 H ASP A 11 2.463 -6.342 -4.845 1.00 1.00 H new ATOM 0 HA ASP A 11 5.157 -6.739 -5.559 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.649 -5.935 -7.094 1.00 1.00 H new ATOM 0 HB3 ASP A 11 4.184 -6.206 -7.896 1.00 1.00 H new ATOM 178 N ILE A 12 4.044 -3.650 -5.829 1.00 1.00 N ATOM 179 CA ILE A 12 4.482 -2.274 -5.987 1.00 1.00 C ATOM 180 C ILE A 12 5.365 -1.837 -4.815 1.00 1.00 C ATOM 181 O ILE A 12 6.390 -1.186 -5.007 1.00 1.00 O ATOM 182 CB ILE A 12 3.252 -1.369 -6.069 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.474 -1.698 -7.352 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.689 0.106 -6.094 1.00 1.00 C ATOM 185 CD1 ILE A 12 1.049 -1.156 -7.234 1.00 1.00 C ATOM 0 H ILE A 12 3.048 -3.763 -5.642 1.00 1.00 H new ATOM 0 HA ILE A 12 5.071 -2.196 -6.901 1.00 1.00 H new ATOM 0 HB ILE A 12 2.617 -1.536 -5.199 1.00 1.00 H new ATOM 0 HG12 ILE A 12 2.972 -1.258 -8.216 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.453 -2.776 -7.512 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.808 0.745 -6.152 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.245 0.336 -5.185 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.324 0.283 -6.962 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.495 -1.388 -8.143 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.554 -1.617 -6.380 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.081 -0.075 -7.095 1.00 1.00 H new ATOM 197 N VAL A 13 4.943 -2.187 -3.600 1.00 1.00 N ATOM 198 CA VAL A 13 5.679 -1.797 -2.391 1.00 1.00 C ATOM 199 C VAL A 13 7.072 -2.410 -2.336 1.00 1.00 C ATOM 200 O VAL A 13 8.068 -1.700 -2.200 1.00 1.00 O ATOM 201 CB VAL A 13 4.901 -2.256 -1.152 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.711 -1.949 0.119 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.549 -1.530 -1.092 1.00 1.00 C ATOM 0 H VAL A 13 4.102 -2.736 -3.424 1.00 1.00 H new ATOM 0 HA VAL A 13 5.784 -0.712 -2.414 1.00 1.00 H new ATOM 0 HB VAL A 13 4.731 -3.331 -1.215 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.152 -2.278 0.995 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.665 -2.475 0.079 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.891 -0.876 0.185 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.998 -1.858 -0.210 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.716 -0.454 -1.036 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.972 -1.761 -1.987 1.00 1.00 H new ATOM 213 N LYS A 14 7.139 -3.727 -2.430 1.00 1.00 N ATOM 214 CA LYS A 14 8.420 -4.405 -2.367 1.00 1.00 C ATOM 215 C LYS A 14 9.361 -3.803 -3.405 1.00 1.00 C ATOM 216 O LYS A 14 10.560 -3.673 -3.170 1.00 1.00 O ATOM 217 CB LYS A 14 8.222 -5.907 -2.603 1.00 1.00 C ATOM 218 CG LYS A 14 7.871 -6.154 -4.068 1.00 1.00 C ATOM 219 CD LYS A 14 7.312 -7.568 -4.243 1.00 1.00 C ATOM 220 CE LYS A 14 8.275 -8.591 -3.637 1.00 1.00 C ATOM 221 NZ LYS A 14 7.939 -9.950 -4.147 1.00 1.00 N ATOM 0 H LYS A 14 6.333 -4.340 -2.549 1.00 1.00 H new ATOM 0 HA LYS A 14 8.864 -4.273 -1.380 1.00 1.00 H new ATOM 0 HB2 LYS A 14 9.130 -6.449 -2.340 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.427 -6.285 -1.960 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.138 -5.420 -4.403 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.757 -6.025 -4.689 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.337 -7.645 -3.761 1.00 1.00 H new ATOM 0 HD3 LYS A 14 7.162 -7.780 -5.302 1.00 1.00 H new ATOM 0 HE2 LYS A 14 9.303 -8.337 -3.896 1.00 1.00 H new ATOM 0 HE3 LYS A 14 8.206 -8.572 -2.549 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.593 -10.647 -3.736 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.963 -10.190 -3.878 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 8.026 -9.963 -5.183 1.00 1.00 H new ATOM 235 N GLU A 15 8.796 -3.417 -4.545 1.00 1.00 N ATOM 236 CA GLU A 15 9.581 -2.802 -5.608 1.00 1.00 C ATOM 237 C GLU A 15 9.979 -1.377 -5.236 1.00 1.00 C ATOM 238 O GLU A 15 11.088 -0.930 -5.524 1.00 1.00 O ATOM 239 CB GLU A 15 8.772 -2.793 -6.910 1.00 1.00 C ATOM 240 CG GLU A 15 8.675 -4.224 -7.452 1.00 1.00 C ATOM 241 CD GLU A 15 10.043 -4.696 -7.932 1.00 1.00 C ATOM 242 OE1 GLU A 15 10.880 -3.851 -8.198 1.00 1.00 O ATOM 243 OE2 GLU A 15 10.239 -5.899 -8.007 1.00 1.00 O ATOM 0 H GLU A 15 7.803 -3.519 -4.755 1.00 1.00 H new ATOM 0 HA GLU A 15 10.490 -3.387 -5.748 1.00 1.00 H new ATOM 0 HB2 GLU A 15 7.775 -2.391 -6.730 1.00 1.00 H new ATOM 0 HB3 GLU A 15 9.249 -2.145 -7.645 1.00 1.00 H new ATOM 0 HG2 GLU A 15 8.304 -4.891 -6.674 1.00 1.00 H new ATOM 0 HG3 GLU A 15 7.960 -4.262 -8.273 1.00 1.00 H new ATOM 250 N LYS A 16 9.061 -0.664 -4.607 1.00 1.00 N ATOM 251 CA LYS A 16 9.315 0.712 -4.202 1.00 1.00 C ATOM 252 C LYS A 16 10.372 0.792 -3.108 1.00 1.00 C ATOM 253 O LYS A 16 11.179 1.722 -3.077 1.00 1.00 O ATOM 254 CB LYS A 16 8.018 1.347 -3.707 1.00 1.00 C ATOM 255 CG LYS A 16 7.033 1.537 -4.896 1.00 1.00 C ATOM 256 CD LYS A 16 6.789 3.020 -5.171 1.00 1.00 C ATOM 257 CE LYS A 16 8.059 3.686 -5.695 1.00 1.00 C ATOM 258 NZ LYS A 16 8.646 2.876 -6.804 1.00 1.00 N ATOM 0 H LYS A 16 8.133 -1.012 -4.365 1.00 1.00 H new ATOM 0 HA LYS A 16 9.690 1.253 -5.071 1.00 1.00 H new ATOM 0 HB2 LYS A 16 7.563 0.716 -2.944 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.229 2.310 -3.241 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.438 1.059 -5.788 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.087 1.044 -4.672 1.00 1.00 H new ATOM 0 HD2 LYS A 16 5.986 3.133 -5.899 1.00 1.00 H new ATOM 0 HD3 LYS A 16 6.463 3.516 -4.257 1.00 1.00 H new ATOM 0 HE2 LYS A 16 7.831 4.691 -6.050 1.00 1.00 H new ATOM 0 HE3 LYS A 16 8.784 3.790 -4.888 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 9.433 2.304 -6.437 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 7.917 2.248 -7.199 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 8.997 3.511 -7.549 1.00 1.00 H new ATOM 272 N LEU A 17 10.340 -0.170 -2.192 1.00 1.00 N ATOM 273 CA LEU A 17 11.280 -0.184 -1.070 1.00 1.00 C ATOM 274 C LEU A 17 12.563 -0.936 -1.424 1.00 1.00 C ATOM 275 O LEU A 17 13.553 -0.858 -0.696 1.00 1.00 O ATOM 276 CB LEU A 17 10.615 -0.852 0.136 1.00 1.00 C ATOM 277 CG LEU A 17 9.285 -0.151 0.449 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.615 -0.849 1.635 1.00 1.00 C ATOM 279 CD2 LEU A 17 9.532 1.329 0.789 1.00 1.00 C ATOM 0 H LEU A 17 9.679 -0.947 -2.201 1.00 1.00 H new ATOM 0 HA LEU A 17 11.546 0.846 -0.834 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.440 -1.908 -0.071 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.276 -0.802 1.001 1.00 1.00 H new ATOM 0 HG LEU A 17 8.635 -0.206 -0.425 1.00 1.00 H new ATOM 0 HD11 LEU A 17 7.670 -0.355 1.861 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.428 -1.893 1.384 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.269 -0.797 2.505 1.00 1.00 H new ATOM 0 HD21 LEU A 17 8.582 1.815 1.009 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.185 1.398 1.659 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.005 1.823 -0.060 1.00 1.00 H new ATOM 291 N ALA A 18 12.542 -1.658 -2.539 1.00 1.00 N ATOM 292 CA ALA A 18 13.713 -2.416 -2.976 1.00 1.00 C ATOM 293 C ALA A 18 13.452 -3.057 -4.332 1.00 1.00 C ATOM 294 O ALA A 18 12.550 -2.651 -5.052 1.00 1.00 O ATOM 295 CB ALA A 18 14.046 -3.510 -1.960 1.00 1.00 C ATOM 0 H ALA A 18 11.733 -1.736 -3.155 1.00 1.00 H new ATOM 0 HA ALA A 18 14.554 -1.728 -3.057 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.920 -4.067 -2.298 1.00 1.00 H new ATOM 0 HB2 ALA A 18 14.257 -3.056 -0.992 1.00 1.00 H new ATOM 0 HB3 ALA A 18 13.198 -4.188 -1.865 1.00 1.00 H new ATOM 301 N LEU A 19 14.247 -4.062 -4.673 1.00 1.00 N ATOM 302 CA LEU A 19 14.084 -4.752 -5.945 1.00 1.00 C ATOM 303 C LEU A 19 12.959 -5.780 -5.849 1.00 1.00 C ATOM 304 O LEU A 19 12.372 -6.170 -6.860 1.00 1.00 O ATOM 305 CB LEU A 19 15.395 -5.446 -6.328 1.00 1.00 C ATOM 306 CG LEU A 19 16.366 -4.421 -6.922 1.00 1.00 C ATOM 307 CD1 LEU A 19 16.673 -3.339 -5.882 1.00 1.00 C ATOM 308 CD2 LEU A 19 17.661 -5.128 -7.325 1.00 1.00 C ATOM 0 H LEU A 19 15.006 -4.416 -4.091 1.00 1.00 H new ATOM 0 HA LEU A 19 13.826 -4.022 -6.713 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.839 -5.916 -5.450 1.00 1.00 H new ATOM 0 HB3 LEU A 19 15.201 -6.239 -7.050 1.00 1.00 H new ATOM 0 HG LEU A 19 15.915 -3.957 -7.799 1.00 1.00 H new ATOM 0 HD11 LEU A 19 17.364 -2.611 -6.307 1.00 1.00 H new ATOM 0 HD12 LEU A 19 15.749 -2.837 -5.595 1.00 1.00 H new ATOM 0 HD13 LEU A 19 17.125 -3.798 -5.002 1.00 1.00 H new ATOM 0 HD21 LEU A 19 18.355 -4.402 -7.748 1.00 1.00 H new ATOM 0 HD22 LEU A 19 18.111 -5.591 -6.447 1.00 1.00 H new ATOM 0 HD23 LEU A 19 17.441 -5.895 -8.067 1.00 1.00 H new ATOM 320 N GLY A 20 12.665 -6.216 -4.626 1.00 1.00 N ATOM 321 CA GLY A 20 11.609 -7.202 -4.406 1.00 1.00 C ATOM 322 C GLY A 20 12.145 -8.619 -4.568 1.00 1.00 C ATOM 323 O GLY A 20 11.442 -9.596 -4.301 1.00 1.00 O ATOM 0 H GLY A 20 13.139 -5.905 -3.778 1.00 1.00 H new ATOM 0 HA2 GLY A 20 11.193 -7.078 -3.406 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.796 -7.034 -5.112 1.00 1.00 H new ATOM 327 N ALA A 21 13.396 -8.727 -5.009 1.00 1.00 N ATOM 328 CA ALA A 21 14.023 -10.032 -5.206 1.00 1.00 C ATOM 329 C ALA A 21 14.638 -10.536 -3.905 1.00 1.00 C ATOM 330 O ALA A 21 14.521 -11.716 -3.567 1.00 1.00 O ATOM 331 CB ALA A 21 15.109 -9.927 -6.278 1.00 1.00 C ATOM 0 H ALA A 21 13.993 -7.932 -5.236 1.00 1.00 H new ATOM 0 HA ALA A 21 13.257 -10.738 -5.527 1.00 1.00 H new ATOM 0 HB1 ALA A 21 15.574 -10.902 -6.422 1.00 1.00 H new ATOM 0 HB2 ALA A 21 14.664 -9.596 -7.216 1.00 1.00 H new ATOM 0 HB3 ALA A 21 15.865 -9.208 -5.961 1.00 1.00 H new ATOM 337 N ASP A 22 15.301 -9.637 -3.178 1.00 1.00 N ATOM 338 CA ASP A 22 15.942 -9.995 -1.910 1.00 1.00 C ATOM 339 C ASP A 22 15.093 -9.541 -0.726 1.00 1.00 C ATOM 340 O ASP A 22 15.555 -9.544 0.417 1.00 1.00 O ATOM 341 CB ASP A 22 17.321 -9.338 -1.822 1.00 1.00 C ATOM 342 CG ASP A 22 18.069 -9.856 -0.598 1.00 1.00 C ATOM 343 OD1 ASP A 22 17.621 -10.834 -0.024 1.00 1.00 O ATOM 344 OD2 ASP A 22 19.082 -9.268 -0.254 1.00 1.00 O ATOM 0 H ASP A 22 15.409 -8.658 -3.443 1.00 1.00 H new ATOM 0 HA ASP A 22 16.045 -11.080 -1.874 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.893 -9.552 -2.725 1.00 1.00 H new ATOM 0 HB3 ASP A 22 17.214 -8.255 -1.761 1.00 1.00 H new ATOM 349 N VAL A 23 13.851 -9.143 -1.002 1.00 1.00 N ATOM 350 CA VAL A 23 12.940 -8.679 0.048 1.00 1.00 C ATOM 351 C VAL A 23 11.658 -9.507 0.038 1.00 1.00 C ATOM 352 O VAL A 23 11.064 -9.742 -1.015 1.00 1.00 O ATOM 353 CB VAL A 23 12.598 -7.202 -0.181 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.504 -6.765 0.797 1.00 1.00 C ATOM 355 CG2 VAL A 23 13.850 -6.347 0.032 1.00 1.00 C ATOM 0 H VAL A 23 13.452 -9.132 -1.941 1.00 1.00 H new ATOM 0 HA VAL A 23 13.429 -8.794 1.015 1.00 1.00 H new ATOM 0 HB VAL A 23 12.239 -7.071 -1.202 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.265 -5.715 0.630 1.00 1.00 H new ATOM 0 HG12 VAL A 23 10.611 -7.370 0.638 1.00 1.00 H new ATOM 0 HG13 VAL A 23 11.856 -6.899 1.820 1.00 1.00 H new ATOM 0 HG21 VAL A 23 13.606 -5.297 -0.131 1.00 1.00 H new ATOM 0 HG22 VAL A 23 14.213 -6.481 1.051 1.00 1.00 H new ATOM 0 HG23 VAL A 23 14.624 -6.653 -0.672 1.00 1.00 H new ATOM 365 N VAL A 24 11.231 -9.949 1.222 1.00 1.00 N ATOM 366 CA VAL A 24 10.012 -10.753 1.347 1.00 1.00 C ATOM 367 C VAL A 24 8.884 -9.906 1.927 1.00 1.00 C ATOM 368 O VAL A 24 9.036 -9.289 2.982 1.00 1.00 O ATOM 369 CB VAL A 24 10.272 -11.947 2.267 1.00 1.00 C ATOM 370 CG1 VAL A 24 8.985 -12.757 2.434 1.00 1.00 C ATOM 371 CG2 VAL A 24 11.357 -12.835 1.655 1.00 1.00 C ATOM 0 H VAL A 24 11.708 -9.766 2.105 1.00 1.00 H new ATOM 0 HA VAL A 24 9.723 -11.110 0.358 1.00 1.00 H new ATOM 0 HB VAL A 24 10.602 -11.587 3.242 1.00 1.00 H new ATOM 0 HG11 VAL A 24 9.173 -13.607 3.090 1.00 1.00 H new ATOM 0 HG12 VAL A 24 8.212 -12.125 2.871 1.00 1.00 H new ATOM 0 HG13 VAL A 24 8.652 -13.116 1.460 1.00 1.00 H new ATOM 0 HG21 VAL A 24 11.543 -13.686 2.310 1.00 1.00 H new ATOM 0 HG22 VAL A 24 11.027 -13.193 0.680 1.00 1.00 H new ATOM 0 HG23 VAL A 24 12.275 -12.259 1.539 1.00 1.00 H new ATOM 381 N VAL A 25 7.751 -9.874 1.226 1.00 1.00 N ATOM 382 CA VAL A 25 6.592 -9.091 1.667 1.00 1.00 C ATOM 383 C VAL A 25 5.399 -9.998 1.937 1.00 1.00 C ATOM 384 O VAL A 25 5.121 -10.922 1.173 1.00 1.00 O ATOM 385 CB VAL A 25 6.215 -8.079 0.590 1.00 1.00 C ATOM 386 CG1 VAL A 25 5.953 -8.812 -0.726 1.00 1.00 C ATOM 387 CG2 VAL A 25 4.955 -7.322 1.017 1.00 1.00 C ATOM 0 H VAL A 25 7.609 -10.380 0.352 1.00 1.00 H new ATOM 0 HA VAL A 25 6.859 -8.573 2.588 1.00 1.00 H new ATOM 0 HB VAL A 25 7.032 -7.370 0.454 1.00 1.00 H new ATOM 0 HG11 VAL A 25 5.683 -8.090 -1.497 1.00 1.00 H new ATOM 0 HG12 VAL A 25 6.852 -9.348 -1.029 1.00 1.00 H new ATOM 0 HG13 VAL A 25 5.136 -9.521 -0.591 1.00 1.00 H new ATOM 0 HG21 VAL A 25 4.686 -6.599 0.247 1.00 1.00 H new ATOM 0 HG22 VAL A 25 4.136 -8.028 1.154 1.00 1.00 H new ATOM 0 HG23 VAL A 25 5.145 -6.800 1.955 1.00 1.00 H new ATOM 397 N THR A 26 4.688 -9.721 3.028 1.00 1.00 N ATOM 398 CA THR A 26 3.512 -10.509 3.399 1.00 1.00 C ATOM 399 C THR A 26 2.390 -9.599 3.885 1.00 1.00 C ATOM 400 O THR A 26 2.615 -8.438 4.225 1.00 1.00 O ATOM 401 CB THR A 26 3.879 -11.520 4.499 1.00 1.00 C ATOM 402 OG1 THR A 26 4.817 -10.931 5.386 1.00 1.00 O ATOM 403 CG2 THR A 26 4.485 -12.777 3.871 1.00 1.00 C ATOM 0 H THR A 26 4.904 -8.959 3.670 1.00 1.00 H new ATOM 0 HA THR A 26 3.166 -11.049 2.518 1.00 1.00 H new ATOM 0 HB THR A 26 2.979 -11.796 5.049 1.00 1.00 H new ATOM 0 HG1 THR A 26 5.051 -11.573 6.089 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.742 -13.488 4.656 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.761 -13.230 3.194 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.384 -12.509 3.315 1.00 1.00 H new ATOM 411 N ALA A 27 1.183 -10.148 3.916 1.00 1.00 N ATOM 412 CA ALA A 27 0.016 -9.403 4.364 1.00 1.00 C ATOM 413 C ALA A 27 0.166 -9.045 5.843 1.00 1.00 C ATOM 414 O ALA A 27 -0.543 -8.191 6.366 1.00 1.00 O ATOM 415 CB ALA A 27 -1.249 -10.255 4.123 1.00 1.00 C ATOM 0 H ALA A 27 0.987 -11.109 3.635 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.074 -8.474 3.801 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.128 -9.703 4.456 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.341 -10.477 3.060 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -1.172 -11.187 4.683 1.00 1.00 H new ATOM 421 N ASP A 28 1.097 -9.710 6.514 1.00 1.00 N ATOM 422 CA ASP A 28 1.339 -9.458 7.934 1.00 1.00 C ATOM 423 C ASP A 28 2.555 -8.560 8.126 1.00 1.00 C ATOM 424 O ASP A 28 2.840 -8.120 9.241 1.00 1.00 O ATOM 425 CB ASP A 28 1.581 -10.779 8.659 1.00 1.00 C ATOM 426 CG ASP A 28 1.560 -10.556 10.169 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.058 -9.528 10.590 1.00 1.00 O ATOM 428 OD2 ASP A 28 2.048 -11.419 10.883 1.00 1.00 O ATOM 0 H ASP A 28 1.696 -10.426 6.103 1.00 1.00 H new ATOM 0 HA ASP A 28 0.461 -8.960 8.345 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.815 -11.503 8.379 1.00 1.00 H new ATOM 0 HB3 ASP A 28 2.541 -11.198 8.358 1.00 1.00 H new ATOM 433 N SER A 29 3.276 -8.295 7.041 1.00 1.00 N ATOM 434 CA SER A 29 4.461 -7.453 7.121 1.00 1.00 C ATOM 435 C SER A 29 4.075 -5.984 7.232 1.00 1.00 C ATOM 436 O SER A 29 3.279 -5.476 6.442 1.00 1.00 O ATOM 437 CB SER A 29 5.334 -7.664 5.886 1.00 1.00 C ATOM 438 OG SER A 29 6.281 -6.610 5.796 1.00 1.00 O ATOM 0 H SER A 29 3.063 -8.647 6.108 1.00 1.00 H new ATOM 0 HA SER A 29 5.020 -7.733 8.014 1.00 1.00 H new ATOM 0 HB2 SER A 29 5.846 -8.624 5.948 1.00 1.00 H new ATOM 0 HB3 SER A 29 4.715 -7.690 4.989 1.00 1.00 H new ATOM 0 HG SER A 29 7.177 -6.958 5.988 1.00 1.00 H new ATOM 444 N GLU A 30 4.647 -5.309 8.220 1.00 1.00 N ATOM 445 CA GLU A 30 4.364 -3.895 8.436 1.00 1.00 C ATOM 446 C GLU A 30 5.213 -3.035 7.506 1.00 1.00 C ATOM 447 O GLU A 30 6.343 -3.394 7.178 1.00 1.00 O ATOM 448 CB GLU A 30 4.657 -3.520 9.890 1.00 1.00 C ATOM 449 CG GLU A 30 3.698 -4.271 10.819 1.00 1.00 C ATOM 450 CD GLU A 30 4.027 -3.952 12.273 1.00 1.00 C ATOM 451 OE1 GLU A 30 4.923 -3.156 12.497 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.377 -4.511 13.143 1.00 1.00 O ATOM 0 H GLU A 30 5.307 -5.715 8.883 1.00 1.00 H new ATOM 0 HA GLU A 30 3.311 -3.715 8.221 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.689 -3.768 10.139 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.545 -2.445 10.028 1.00 1.00 H new ATOM 0 HG2 GLU A 30 2.669 -3.987 10.599 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.777 -5.344 10.646 1.00 1.00 H new ATOM 459 N PHE A 31 4.665 -1.900 7.085 1.00 1.00 N ATOM 460 CA PHE A 31 5.389 -1.002 6.192 1.00 1.00 C ATOM 461 C PHE A 31 6.681 -0.513 6.847 1.00 1.00 C ATOM 462 O PHE A 31 7.727 -0.453 6.203 1.00 1.00 O ATOM 463 CB PHE A 31 4.507 0.197 5.821 1.00 1.00 C ATOM 464 CG PHE A 31 3.445 -0.231 4.827 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.799 -0.485 3.493 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.104 -0.360 5.228 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.818 -0.871 2.574 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.131 -0.747 4.300 1.00 1.00 C ATOM 469 CZ PHE A 31 1.490 -0.996 2.975 1.00 1.00 C ATOM 0 H PHE A 31 3.731 -1.582 7.344 1.00 1.00 H new ATOM 0 HA PHE A 31 5.645 -1.553 5.287 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.037 0.604 6.716 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.119 0.991 5.393 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.827 -0.383 3.177 1.00 1.00 H new ATOM 0 HD2 PHE A 31 1.825 -0.160 6.252 1.00 1.00 H new ATOM 0 HE1 PHE A 31 3.091 -1.073 1.549 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.102 -0.853 4.609 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.736 -1.286 2.258 1.00 1.00 H new ATOM 479 N SER A 32 6.600 -0.169 8.128 1.00 1.00 N ATOM 480 CA SER A 32 7.772 0.311 8.858 1.00 1.00 C ATOM 481 C SER A 32 8.877 -0.746 8.864 1.00 1.00 C ATOM 482 O SER A 32 10.053 -0.426 8.701 1.00 1.00 O ATOM 483 CB SER A 32 7.381 0.659 10.295 1.00 1.00 C ATOM 484 OG SER A 32 6.441 1.726 10.279 1.00 1.00 O ATOM 0 H SER A 32 5.743 -0.212 8.680 1.00 1.00 H new ATOM 0 HA SER A 32 8.149 1.203 8.358 1.00 1.00 H new ATOM 0 HB2 SER A 32 6.951 -0.213 10.789 1.00 1.00 H new ATOM 0 HB3 SER A 32 8.264 0.945 10.866 1.00 1.00 H new ATOM 0 HG SER A 32 6.186 1.951 11.198 1.00 1.00 H new ATOM 490 N LYS A 33 8.490 -2.005 9.047 1.00 1.00 N ATOM 491 CA LYS A 33 9.455 -3.103 9.068 1.00 1.00 C ATOM 492 C LYS A 33 10.179 -3.220 7.728 1.00 1.00 C ATOM 493 O LYS A 33 11.372 -3.522 7.685 1.00 1.00 O ATOM 494 CB LYS A 33 8.747 -4.425 9.386 1.00 1.00 C ATOM 495 CG LYS A 33 8.379 -4.467 10.870 1.00 1.00 C ATOM 496 CD LYS A 33 7.614 -5.758 11.168 1.00 1.00 C ATOM 497 CE LYS A 33 7.169 -5.759 12.630 1.00 1.00 C ATOM 498 NZ LYS A 33 8.369 -5.830 13.511 1.00 1.00 N ATOM 0 H LYS A 33 7.520 -2.291 9.182 1.00 1.00 H new ATOM 0 HA LYS A 33 10.190 -2.890 9.844 1.00 1.00 H new ATOM 0 HB2 LYS A 33 7.849 -4.524 8.776 1.00 1.00 H new ATOM 0 HB3 LYS A 33 9.396 -5.265 9.138 1.00 1.00 H new ATOM 0 HG2 LYS A 33 9.280 -4.416 11.481 1.00 1.00 H new ATOM 0 HG3 LYS A 33 7.769 -3.602 11.129 1.00 1.00 H new ATOM 0 HD2 LYS A 33 6.747 -5.839 10.513 1.00 1.00 H new ATOM 0 HD3 LYS A 33 8.247 -6.623 10.968 1.00 1.00 H new ATOM 0 HE2 LYS A 33 6.596 -4.858 12.848 1.00 1.00 H new ATOM 0 HE3 LYS A 33 6.512 -6.608 12.822 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 8.081 -6.118 14.468 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 9.040 -6.526 13.128 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 8.825 -4.896 13.553 1.00 1.00 H new ATOM 512 N LEU A 34 9.453 -2.988 6.642 1.00 1.00 N ATOM 513 CA LEU A 34 10.043 -3.083 5.310 1.00 1.00 C ATOM 514 C LEU A 34 11.094 -1.994 5.115 1.00 1.00 C ATOM 515 O LEU A 34 11.973 -2.113 4.260 1.00 1.00 O ATOM 516 CB LEU A 34 8.958 -2.939 4.243 1.00 1.00 C ATOM 517 CG LEU A 34 7.965 -4.107 4.341 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.789 -3.853 3.389 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.657 -5.436 3.965 1.00 1.00 C ATOM 0 H LEU A 34 8.465 -2.735 6.654 1.00 1.00 H new ATOM 0 HA LEU A 34 10.518 -4.059 5.213 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.433 -1.993 4.372 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.412 -2.919 3.252 1.00 1.00 H new ATOM 0 HG LEU A 34 7.603 -4.179 5.366 1.00 1.00 H new ATOM 0 HD11 LEU A 34 6.082 -4.680 3.456 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.289 -2.925 3.667 1.00 1.00 H new ATOM 0 HD13 LEU A 34 7.159 -3.773 2.367 1.00 1.00 H new ATOM 0 HD21 LEU A 34 7.940 -6.253 4.040 1.00 1.00 H new ATOM 0 HD22 LEU A 34 9.032 -5.375 2.943 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.488 -5.619 4.646 1.00 1.00 H new ATOM 531 N GLY A 35 11.001 -0.931 5.917 1.00 1.00 N ATOM 532 CA GLY A 35 11.953 0.179 5.834 1.00 1.00 C ATOM 533 C GLY A 35 11.311 1.414 5.213 1.00 1.00 C ATOM 534 O GLY A 35 11.946 2.464 5.101 1.00 1.00 O ATOM 0 H GLY A 35 10.279 -0.815 6.629 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.321 0.420 6.831 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.816 -0.123 5.240 1.00 1.00 H new ATOM 538 N ALA A 36 10.051 1.288 4.814 1.00 1.00 N ATOM 539 CA ALA A 36 9.344 2.404 4.209 1.00 1.00 C ATOM 540 C ALA A 36 9.449 3.644 5.091 1.00 1.00 C ATOM 541 O ALA A 36 8.841 3.717 6.159 1.00 1.00 O ATOM 542 CB ALA A 36 7.872 2.037 4.012 1.00 1.00 C ATOM 0 H ALA A 36 9.504 0.431 4.898 1.00 1.00 H new ATOM 0 HA ALA A 36 9.798 2.622 3.242 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.345 2.876 3.558 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.798 1.167 3.360 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.422 1.806 4.978 1.00 1.00 H new ATOM 548 N ASP A 37 10.224 4.621 4.629 1.00 1.00 N ATOM 549 CA ASP A 37 10.411 5.868 5.365 1.00 1.00 C ATOM 550 C ASP A 37 9.389 6.902 4.915 1.00 1.00 C ATOM 551 O ASP A 37 8.511 6.612 4.102 1.00 1.00 O ATOM 552 CB ASP A 37 11.821 6.409 5.133 1.00 1.00 C ATOM 553 CG ASP A 37 12.841 5.536 5.857 1.00 1.00 C ATOM 554 OD1 ASP A 37 12.430 4.752 6.697 1.00 1.00 O ATOM 555 OD2 ASP A 37 14.018 5.662 5.560 1.00 1.00 O ATOM 0 H ASP A 37 10.734 4.573 3.747 1.00 1.00 H new ATOM 0 HA ASP A 37 10.273 5.668 6.428 1.00 1.00 H new ATOM 0 HB2 ASP A 37 12.040 6.430 4.065 1.00 1.00 H new ATOM 0 HB3 ASP A 37 11.889 7.436 5.492 1.00 1.00 H new ATOM 560 N SER A 38 9.507 8.108 5.453 1.00 1.00 N ATOM 561 CA SER A 38 8.588 9.182 5.105 1.00 1.00 C ATOM 562 C SER A 38 8.660 9.489 3.614 1.00 1.00 C ATOM 563 O SER A 38 7.633 9.636 2.953 1.00 1.00 O ATOM 564 CB SER A 38 8.936 10.434 5.906 1.00 1.00 C ATOM 0 H SER A 38 10.226 8.366 6.129 1.00 1.00 H new ATOM 0 HA SER A 38 7.573 8.864 5.345 1.00 1.00 H new ATOM 569 N LEU A 39 9.877 9.579 3.091 1.00 1.00 N ATOM 570 CA LEU A 39 10.077 9.862 1.672 1.00 1.00 C ATOM 571 C LEU A 39 9.567 8.701 0.823 1.00 1.00 C ATOM 572 O LEU A 39 9.049 8.899 -0.278 1.00 1.00 O ATOM 573 CB LEU A 39 11.560 10.105 1.387 1.00 1.00 C ATOM 574 CG LEU A 39 12.104 11.168 2.350 1.00 1.00 C ATOM 575 CD1 LEU A 39 13.593 11.386 2.071 1.00 1.00 C ATOM 576 CD2 LEU A 39 11.345 12.492 2.154 1.00 1.00 C ATOM 0 H LEU A 39 10.738 9.461 3.625 1.00 1.00 H new ATOM 0 HA LEU A 39 9.515 10.759 1.414 1.00 1.00 H new ATOM 0 HB2 LEU A 39 12.119 9.176 1.502 1.00 1.00 H new ATOM 0 HB3 LEU A 39 11.693 10.432 0.356 1.00 1.00 H new ATOM 0 HG LEU A 39 11.967 10.828 3.377 1.00 1.00 H new ATOM 0 HD11 LEU A 39 13.984 12.141 2.753 1.00 1.00 H new ATOM 0 HD12 LEU A 39 14.132 10.450 2.218 1.00 1.00 H new ATOM 0 HD13 LEU A 39 13.725 11.723 1.043 1.00 1.00 H new ATOM 0 HD21 LEU A 39 11.737 13.241 2.841 1.00 1.00 H new ATOM 0 HD22 LEU A 39 11.475 12.837 1.128 1.00 1.00 H new ATOM 0 HD23 LEU A 39 10.285 12.337 2.353 1.00 1.00 H new ATOM 588 N ASP A 40 9.733 7.485 1.331 1.00 1.00 N ATOM 589 CA ASP A 40 9.286 6.296 0.615 1.00 1.00 C ATOM 590 C ASP A 40 7.783 6.082 0.791 1.00 1.00 C ATOM 591 O ASP A 40 7.059 5.917 -0.186 1.00 1.00 O ATOM 592 CB ASP A 40 10.048 5.069 1.124 1.00 1.00 C ATOM 593 CG ASP A 40 11.489 5.096 0.620 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.770 5.875 -0.277 1.00 1.00 O ATOM 595 OD2 ASP A 40 12.290 4.334 1.135 1.00 1.00 O ATOM 0 H ASP A 40 10.172 7.297 2.232 1.00 1.00 H new ATOM 0 HA ASP A 40 9.489 6.438 -0.446 1.00 1.00 H new ATOM 0 HB2 ASP A 40 10.037 5.051 2.214 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.554 4.159 0.785 1.00 1.00 H new ATOM 600 N THR A 41 7.328 6.088 2.047 1.00 1.00 N ATOM 601 CA THR A 41 5.913 5.875 2.367 1.00 1.00 C ATOM 602 C THR A 41 5.002 6.738 1.506 1.00 1.00 C ATOM 603 O THR A 41 3.980 6.268 1.005 1.00 1.00 O ATOM 604 CB THR A 41 5.671 6.219 3.843 1.00 1.00 C ATOM 605 OG1 THR A 41 6.437 5.346 4.661 1.00 1.00 O ATOM 606 CG2 THR A 41 4.185 6.064 4.178 1.00 1.00 C ATOM 0 H THR A 41 7.922 6.239 2.862 1.00 1.00 H new ATOM 0 HA THR A 41 5.680 4.829 2.168 1.00 1.00 H new ATOM 0 HB THR A 41 5.971 7.251 4.026 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.386 5.577 4.587 1.00 1.00 H new ATOM 0 HG21 THR A 41 4.021 6.310 5.227 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.599 6.737 3.552 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.876 5.035 3.994 1.00 1.00 H new ATOM 614 N VAL A 42 5.369 7.996 1.339 1.00 1.00 N ATOM 615 CA VAL A 42 4.565 8.906 0.534 1.00 1.00 C ATOM 616 C VAL A 42 4.558 8.444 -0.916 1.00 1.00 C ATOM 617 O VAL A 42 3.574 8.620 -1.633 1.00 1.00 O ATOM 618 CB VAL A 42 5.112 10.331 0.634 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.549 10.359 0.129 1.00 1.00 C ATOM 620 CG2 VAL A 42 4.257 11.269 -0.218 1.00 1.00 C ATOM 0 H VAL A 42 6.209 8.410 1.744 1.00 1.00 H new ATOM 0 HA VAL A 42 3.543 8.902 0.912 1.00 1.00 H new ATOM 0 HB VAL A 42 5.083 10.657 1.674 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.940 11.374 0.200 1.00 1.00 H new ATOM 0 HG12 VAL A 42 7.161 9.691 0.736 1.00 1.00 H new ATOM 0 HG13 VAL A 42 6.576 10.032 -0.910 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.648 12.284 -0.146 1.00 1.00 H new ATOM 0 HG22 VAL A 42 4.285 10.943 -1.258 1.00 1.00 H new ATOM 0 HG23 VAL A 42 3.228 11.250 0.141 1.00 1.00 H new ATOM 630 N GLU A 43 5.667 7.849 -1.340 1.00 1.00 N ATOM 631 CA GLU A 43 5.784 7.360 -2.695 1.00 1.00 C ATOM 632 C GLU A 43 4.892 6.134 -2.896 1.00 1.00 C ATOM 633 O GLU A 43 4.349 5.921 -3.982 1.00 1.00 O ATOM 634 CB GLU A 43 7.244 7.004 -2.981 1.00 1.00 C ATOM 635 CG GLU A 43 7.452 6.907 -4.486 1.00 1.00 C ATOM 636 CD GLU A 43 7.405 8.298 -5.109 1.00 1.00 C ATOM 637 OE1 GLU A 43 7.348 9.261 -4.359 1.00 1.00 O ATOM 638 OE2 GLU A 43 7.420 8.382 -6.325 1.00 1.00 O ATOM 0 H GLU A 43 6.493 7.697 -0.761 1.00 1.00 H new ATOM 0 HA GLU A 43 5.460 8.138 -3.387 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.905 7.761 -2.559 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.500 6.057 -2.505 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.412 6.436 -4.699 1.00 1.00 H new ATOM 0 HG3 GLU A 43 6.682 6.275 -4.928 1.00 1.00 H new ATOM 645 N ILE A 44 4.748 5.329 -1.841 1.00 1.00 N ATOM 646 CA ILE A 44 3.921 4.123 -1.913 1.00 1.00 C ATOM 647 C ILE A 44 2.474 4.467 -2.236 1.00 1.00 C ATOM 648 O ILE A 44 1.881 3.896 -3.153 1.00 1.00 O ATOM 649 CB ILE A 44 3.955 3.393 -0.565 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.402 3.067 -0.171 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.133 2.109 -0.657 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.094 2.255 -1.255 1.00 1.00 C ATOM 0 H ILE A 44 5.189 5.488 -0.935 1.00 1.00 H new ATOM 0 HA ILE A 44 4.323 3.489 -2.704 1.00 1.00 H new ATOM 0 HB ILE A 44 3.526 4.040 0.200 1.00 1.00 H new ATOM 0 HG12 ILE A 44 5.952 3.992 0.002 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.411 2.510 0.766 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.158 1.591 0.302 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.102 2.355 -0.910 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.552 1.463 -1.429 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.118 2.038 -0.950 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.555 1.320 -1.409 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.106 2.824 -2.185 1.00 1.00 H new ATOM 664 N VAL A 45 1.910 5.401 -1.480 1.00 1.00 N ATOM 665 CA VAL A 45 0.528 5.808 -1.699 1.00 1.00 C ATOM 666 C VAL A 45 0.396 6.537 -3.029 1.00 1.00 C ATOM 667 O VAL A 45 -0.618 6.426 -3.713 1.00 1.00 O ATOM 668 CB VAL A 45 0.048 6.712 -0.559 1.00 1.00 C ATOM 669 CG1 VAL A 45 0.962 7.931 -0.448 1.00 1.00 C ATOM 670 CG2 VAL A 45 -1.382 7.177 -0.846 1.00 1.00 C ATOM 0 H VAL A 45 2.383 5.886 -0.717 1.00 1.00 H new ATOM 0 HA VAL A 45 -0.094 4.913 -1.723 1.00 1.00 H new ATOM 0 HB VAL A 45 0.073 6.154 0.377 1.00 1.00 H new ATOM 0 HG11 VAL A 45 0.617 8.571 0.364 1.00 1.00 H new ATOM 0 HG12 VAL A 45 1.982 7.604 -0.244 1.00 1.00 H new ATOM 0 HG13 VAL A 45 0.940 8.489 -1.384 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -1.725 7.820 -0.036 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -1.403 7.732 -1.784 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -2.038 6.310 -0.923 1.00 1.00 H new ATOM 680 N MET A 46 1.431 7.284 -3.386 1.00 1.00 N ATOM 681 CA MET A 46 1.417 8.034 -4.635 1.00 1.00 C ATOM 682 C MET A 46 1.254 7.084 -5.820 1.00 1.00 C ATOM 683 O MET A 46 0.415 7.303 -6.693 1.00 1.00 O ATOM 684 CB MET A 46 2.733 8.806 -4.777 1.00 1.00 C ATOM 685 CG MET A 46 2.615 9.858 -5.887 1.00 1.00 C ATOM 686 SD MET A 46 1.898 11.368 -5.195 1.00 1.00 S ATOM 687 CE MET A 46 3.439 12.075 -4.559 1.00 1.00 C ATOM 0 H MET A 46 2.283 7.387 -2.835 1.00 1.00 H new ATOM 0 HA MET A 46 0.579 8.731 -4.623 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.982 9.290 -3.833 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.545 8.116 -5.006 1.00 1.00 H new ATOM 0 HG2 MET A 46 3.596 10.068 -6.312 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.990 9.482 -6.697 1.00 1.00 H new ATOM 0 HE1 MET A 46 3.227 12.667 -3.669 1.00 1.00 H new ATOM 0 HE2 MET A 46 4.130 11.271 -4.304 1.00 1.00 H new ATOM 0 HE3 MET A 46 3.888 12.712 -5.320 1.00 1.00 H new ATOM 697 N ASN A 47 2.057 6.023 -5.837 1.00 1.00 N ATOM 698 CA ASN A 47 1.990 5.039 -6.914 1.00 1.00 C ATOM 699 C ASN A 47 0.654 4.298 -6.897 1.00 1.00 C ATOM 700 O ASN A 47 0.056 4.060 -7.947 1.00 1.00 O ATOM 701 CB ASN A 47 3.146 4.037 -6.765 1.00 1.00 C ATOM 702 CG ASN A 47 4.434 4.637 -7.319 1.00 1.00 C ATOM 703 OD1 ASN A 47 4.724 4.498 -8.507 1.00 1.00 O ATOM 704 ND2 ASN A 47 5.222 5.307 -6.527 1.00 1.00 N ATOM 0 H ASN A 47 2.757 5.823 -5.123 1.00 1.00 H new ATOM 0 HA ASN A 47 2.076 5.561 -7.867 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.279 3.777 -5.715 1.00 1.00 H new ATOM 0 HB3 ASN A 47 2.908 3.114 -7.294 1.00 1.00 H new ATOM 0 HD21 ASN A 47 6.082 5.718 -6.891 1.00 1.00 H new ATOM 0 HD22 ASN A 47 4.979 5.421 -5.543 1.00 1.00 H new ATOM 711 N LEU A 48 0.195 3.926 -5.705 1.00 1.00 N ATOM 712 CA LEU A 48 -1.064 3.203 -5.583 1.00 1.00 C ATOM 713 C LEU A 48 -2.224 4.071 -6.052 1.00 1.00 C ATOM 714 O LEU A 48 -3.112 3.601 -6.756 1.00 1.00 O ATOM 715 CB LEU A 48 -1.284 2.770 -4.126 1.00 1.00 C ATOM 716 CG LEU A 48 -0.248 1.715 -3.727 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.245 1.575 -2.201 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.599 0.357 -4.348 1.00 1.00 C ATOM 0 H LEU A 48 0.670 4.111 -4.821 1.00 1.00 H new ATOM 0 HA LEU A 48 -1.018 2.315 -6.214 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.207 3.634 -3.466 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.290 2.367 -4.006 1.00 1.00 H new ATOM 0 HG LEU A 48 0.733 2.027 -4.086 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.490 0.826 -1.906 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.011 2.533 -1.748 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.234 1.267 -1.862 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.147 -0.381 -4.054 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.581 0.039 -3.997 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.613 0.446 -5.434 1.00 1.00 H new ATOM 730 N GLU A 49 -2.209 5.342 -5.677 1.00 1.00 N ATOM 731 CA GLU A 49 -3.275 6.244 -6.093 1.00 1.00 C ATOM 732 C GLU A 49 -3.329 6.321 -7.611 1.00 1.00 C ATOM 733 O GLU A 49 -4.405 6.344 -8.210 1.00 1.00 O ATOM 734 CB GLU A 49 -3.049 7.640 -5.497 1.00 1.00 C ATOM 735 CG GLU A 49 -3.415 7.629 -4.010 1.00 1.00 C ATOM 736 CD GLU A 49 -3.041 8.958 -3.363 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.482 9.795 -4.054 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.312 9.118 -2.185 1.00 1.00 O ATOM 0 H GLU A 49 -1.486 5.767 -5.097 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.227 5.859 -5.727 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.008 7.936 -5.623 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.656 8.375 -6.026 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.483 7.448 -3.893 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.896 6.813 -3.507 1.00 1.00 H new ATOM 745 N GLU A 50 -2.158 6.344 -8.220 1.00 1.00 N ATOM 746 CA GLU A 50 -2.056 6.401 -9.673 1.00 1.00 C ATOM 747 C GLU A 50 -2.421 5.057 -10.307 1.00 1.00 C ATOM 748 O GLU A 50 -3.092 5.013 -11.339 1.00 1.00 O ATOM 749 CB GLU A 50 -0.633 6.790 -10.081 1.00 1.00 C ATOM 750 CG GLU A 50 -0.341 8.230 -9.650 1.00 1.00 C ATOM 751 CD GLU A 50 -1.225 9.204 -10.424 1.00 1.00 C ATOM 752 OE1 GLU A 50 -1.691 8.831 -11.489 1.00 1.00 O ATOM 753 OE2 GLU A 50 -1.421 10.307 -9.945 1.00 1.00 O ATOM 0 H GLU A 50 -1.261 6.324 -7.734 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.760 7.152 -10.031 1.00 1.00 H new ATOM 0 HB2 GLU A 50 0.085 6.111 -9.621 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.516 6.694 -11.160 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.518 8.339 -8.580 1.00 1.00 H new ATOM 0 HG3 GLU A 50 0.709 8.463 -9.825 1.00 1.00 H new ATOM 760 N GLU A 51 -1.967 3.961 -9.694 1.00 1.00 N ATOM 761 CA GLU A 51 -2.247 2.631 -10.229 1.00 1.00 C ATOM 762 C GLU A 51 -3.717 2.268 -10.044 1.00 1.00 C ATOM 763 O GLU A 51 -4.343 1.701 -10.939 1.00 1.00 O ATOM 764 CB GLU A 51 -1.368 1.593 -9.527 1.00 1.00 C ATOM 765 CG GLU A 51 -1.472 0.249 -10.253 1.00 1.00 C ATOM 766 CD GLU A 51 -0.771 0.333 -11.605 1.00 1.00 C ATOM 767 OE1 GLU A 51 -0.129 1.340 -11.856 1.00 1.00 O ATOM 768 OE2 GLU A 51 -0.882 -0.613 -12.368 1.00 1.00 O ATOM 0 H GLU A 51 -1.412 3.969 -8.839 1.00 1.00 H new ATOM 0 HA GLU A 51 -2.024 2.637 -11.296 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -0.332 1.930 -9.513 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.680 1.481 -8.489 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -1.020 -0.537 -9.648 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -2.519 -0.019 -10.393 1.00 1.00 H new ATOM 775 N PHE A 52 -4.262 2.594 -8.875 1.00 1.00 N ATOM 776 CA PHE A 52 -5.660 2.292 -8.575 1.00 1.00 C ATOM 777 C PHE A 52 -6.562 3.454 -8.991 1.00 1.00 C ATOM 778 O PHE A 52 -7.787 3.343 -8.954 1.00 1.00 O ATOM 779 CB PHE A 52 -5.817 2.019 -7.074 1.00 1.00 C ATOM 780 CG PHE A 52 -5.276 0.646 -6.741 1.00 1.00 C ATOM 781 CD1 PHE A 52 -3.897 0.457 -6.577 1.00 1.00 C ATOM 782 CD2 PHE A 52 -6.153 -0.433 -6.590 1.00 1.00 C ATOM 783 CE1 PHE A 52 -3.397 -0.811 -6.265 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.651 -1.703 -6.278 1.00 1.00 C ATOM 785 CZ PHE A 52 -4.273 -1.891 -6.115 1.00 1.00 C ATOM 0 H PHE A 52 -3.760 3.065 -8.122 1.00 1.00 H new ATOM 0 HA PHE A 52 -5.957 1.407 -9.138 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.285 2.778 -6.500 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -6.868 2.084 -6.792 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -3.220 1.291 -6.692 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -7.216 -0.287 -6.714 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -2.334 -0.956 -6.140 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -6.327 -2.537 -6.163 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.887 -2.870 -5.873 1.00 1.00 H new ATOM 795 N GLY A 53 -5.947 4.560 -9.401 1.00 1.00 N ATOM 796 CA GLY A 53 -6.706 5.729 -9.837 1.00 1.00 C ATOM 797 C GLY A 53 -7.620 6.247 -8.731 1.00 1.00 C ATOM 798 O GLY A 53 -8.804 6.501 -8.960 1.00 1.00 O ATOM 0 H GLY A 53 -4.934 4.672 -9.441 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.018 6.518 -10.141 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.302 5.471 -10.712 1.00 1.00 H new ATOM 802 N ILE A 54 -7.067 6.400 -7.528 1.00 1.00 N ATOM 803 CA ILE A 54 -7.841 6.889 -6.382 1.00 1.00 C ATOM 804 C ILE A 54 -7.100 8.018 -5.671 1.00 1.00 C ATOM 805 O ILE A 54 -6.051 8.472 -6.128 1.00 1.00 O ATOM 806 CB ILE A 54 -8.096 5.740 -5.400 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.755 5.162 -4.920 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.904 4.648 -6.104 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.987 4.143 -3.797 1.00 1.00 C ATOM 0 H ILE A 54 -6.090 6.194 -7.320 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.793 7.275 -6.747 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.653 6.111 -4.540 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.238 4.685 -5.752 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.111 5.966 -4.564 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.089 3.828 -5.410 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.855 5.059 -6.441 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.344 4.278 -6.963 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -6.029 3.741 -3.466 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.484 4.632 -2.959 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.613 3.331 -4.166 1.00 1.00 H new ATOM 821 N ASN A 55 -7.652 8.461 -4.543 1.00 1.00 N ATOM 822 CA ASN A 55 -7.037 9.534 -3.762 1.00 1.00 C ATOM 823 C ASN A 55 -7.324 9.339 -2.277 1.00 1.00 C ATOM 824 O ASN A 55 -8.481 9.246 -1.866 1.00 1.00 O ATOM 825 CB ASN A 55 -7.586 10.886 -4.217 1.00 1.00 C ATOM 826 CG ASN A 55 -9.109 10.864 -4.184 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.715 11.217 -3.172 1.00 1.00 O ATOM 828 ND2 ASN A 55 -9.769 10.463 -5.236 1.00 1.00 N ATOM 0 H ASN A 55 -8.520 8.096 -4.150 1.00 1.00 H new ATOM 0 HA ASN A 55 -5.959 9.508 -3.920 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.211 11.678 -3.569 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.238 11.109 -5.226 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -10.789 10.442 -5.221 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.265 10.171 -6.073 1.00 1.00 H new ATOM 835 N VAL A 56 -6.263 9.280 -1.473 1.00 1.00 N ATOM 836 CA VAL A 56 -6.407 9.098 -0.027 1.00 1.00 C ATOM 837 C VAL A 56 -5.373 9.930 0.722 1.00 1.00 C ATOM 838 O VAL A 56 -4.206 9.990 0.334 1.00 1.00 O ATOM 839 CB VAL A 56 -6.228 7.622 0.333 1.00 1.00 C ATOM 840 CG1 VAL A 56 -4.818 7.171 -0.047 1.00 1.00 C ATOM 841 CG2 VAL A 56 -6.432 7.438 1.840 1.00 1.00 C ATOM 0 H VAL A 56 -5.298 9.355 -1.795 1.00 1.00 H new ATOM 0 HA VAL A 56 -7.405 9.427 0.264 1.00 1.00 H new ATOM 0 HB VAL A 56 -6.959 7.024 -0.211 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -4.691 6.119 0.210 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -4.670 7.303 -1.119 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -4.086 7.768 0.497 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -6.305 6.387 2.099 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -5.700 8.036 2.382 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -7.437 7.760 2.113 1.00 1.00 H new ATOM 851 N ASP A 57 -5.809 10.566 1.803 1.00 1.00 N ATOM 852 CA ASP A 57 -4.918 11.391 2.610 1.00 1.00 C ATOM 853 C ASP A 57 -4.069 10.520 3.529 1.00 1.00 C ATOM 854 O ASP A 57 -4.472 9.419 3.903 1.00 1.00 O ATOM 855 CB ASP A 57 -5.735 12.376 3.447 1.00 1.00 C ATOM 856 CG ASP A 57 -4.817 13.426 4.063 1.00 1.00 C ATOM 857 OD1 ASP A 57 -3.726 13.607 3.547 1.00 1.00 O ATOM 858 OD2 ASP A 57 -5.220 14.035 5.040 1.00 1.00 O ATOM 0 H ASP A 57 -6.771 10.527 2.140 1.00 1.00 H new ATOM 0 HA ASP A 57 -4.258 11.944 1.941 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -6.487 12.860 2.823 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -6.269 11.842 4.233 1.00 1.00 H new ATOM 863 N GLU A 58 -2.893 11.020 3.890 1.00 1.00 N ATOM 864 CA GLU A 58 -1.993 10.281 4.768 1.00 1.00 C ATOM 865 C GLU A 58 -2.613 10.111 6.151 1.00 1.00 C ATOM 866 O GLU A 58 -2.415 9.089 6.809 1.00 1.00 O ATOM 867 CB GLU A 58 -0.661 11.020 4.891 1.00 1.00 C ATOM 868 CG GLU A 58 0.083 10.962 3.556 1.00 1.00 C ATOM 869 CD GLU A 58 1.370 11.775 3.641 1.00 1.00 C ATOM 870 OE1 GLU A 58 1.633 12.320 4.700 1.00 1.00 O ATOM 871 OE2 GLU A 58 2.074 11.837 2.647 1.00 1.00 O ATOM 0 H GLU A 58 -2.541 11.929 3.590 1.00 1.00 H new ATOM 0 HA GLU A 58 -1.822 9.295 4.336 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -0.834 12.057 5.178 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -0.055 10.569 5.677 1.00 1.00 H new ATOM 0 HG2 GLU A 58 0.313 9.927 3.303 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -0.551 11.352 2.760 1.00 1.00 H new ATOM 878 N ASP A 59 -3.365 11.117 6.586 1.00 1.00 N ATOM 879 CA ASP A 59 -4.008 11.063 7.895 1.00 1.00 C ATOM 880 C ASP A 59 -4.964 9.876 7.972 1.00 1.00 C ATOM 881 O ASP A 59 -4.984 9.146 8.962 1.00 1.00 O ATOM 882 CB ASP A 59 -4.778 12.361 8.149 1.00 1.00 C ATOM 883 CG ASP A 59 -5.514 12.279 9.482 1.00 1.00 C ATOM 884 OD1 ASP A 59 -5.239 11.358 10.232 1.00 1.00 O ATOM 885 OD2 ASP A 59 -6.341 13.140 9.732 1.00 1.00 O ATOM 0 H ASP A 59 -3.543 11.971 6.058 1.00 1.00 H new ATOM 0 HA ASP A 59 -3.237 10.943 8.656 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -4.090 13.206 8.156 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -5.489 12.535 7.342 1.00 1.00 H new ATOM 890 N LYS A 60 -5.753 9.683 6.920 1.00 1.00 N ATOM 891 CA LYS A 60 -6.696 8.572 6.884 1.00 1.00 C ATOM 892 C LYS A 60 -5.955 7.243 6.850 1.00 1.00 C ATOM 893 O LYS A 60 -6.356 6.281 7.503 1.00 1.00 O ATOM 894 CB LYS A 60 -7.611 8.692 5.667 1.00 1.00 C ATOM 895 CG LYS A 60 -8.556 9.886 5.865 1.00 1.00 C ATOM 896 CD LYS A 60 -9.580 9.958 4.719 1.00 1.00 C ATOM 897 CE LYS A 60 -8.985 10.704 3.519 1.00 1.00 C ATOM 898 NZ LYS A 60 -9.017 12.171 3.779 1.00 1.00 N ATOM 0 H LYS A 60 -5.759 10.275 6.089 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.304 8.609 7.788 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.018 8.828 4.763 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.186 7.775 5.537 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.075 9.792 6.819 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -7.980 10.811 5.905 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -9.873 8.951 4.421 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.482 10.465 5.060 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -7.960 10.377 3.346 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -9.550 10.472 2.616 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -8.774 12.683 2.907 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -9.970 12.448 4.089 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -8.329 12.407 4.522 1.00 1.00 H new ATOM 912 N ALA A 61 -4.878 7.194 6.074 1.00 1.00 N ATOM 913 CA ALA A 61 -4.094 5.972 5.955 1.00 1.00 C ATOM 914 C ALA A 61 -3.273 5.718 7.219 1.00 1.00 C ATOM 915 O ALA A 61 -2.253 5.030 7.179 1.00 1.00 O ATOM 916 CB ALA A 61 -3.164 6.064 4.746 1.00 1.00 C ATOM 0 H ALA A 61 -4.531 7.979 5.523 1.00 1.00 H new ATOM 0 HA ALA A 61 -4.784 5.139 5.822 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -2.581 5.146 4.664 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -3.756 6.200 3.841 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.490 6.912 4.869 1.00 1.00 H new ATOM 922 N GLN A 62 -3.728 6.269 8.337 1.00 1.00 N ATOM 923 CA GLN A 62 -3.035 6.087 9.610 1.00 1.00 C ATOM 924 C GLN A 62 -3.375 4.729 10.221 1.00 1.00 C ATOM 925 O GLN A 62 -2.547 4.116 10.895 1.00 1.00 O ATOM 926 CB GLN A 62 -3.429 7.210 10.577 1.00 1.00 C ATOM 927 CG GLN A 62 -2.677 8.493 10.212 1.00 1.00 C ATOM 928 CD GLN A 62 -1.223 8.386 10.658 1.00 1.00 C ATOM 929 OE1 GLN A 62 -0.950 8.060 11.813 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.268 8.642 9.807 1.00 1.00 N ATOM 0 H GLN A 62 -4.569 6.843 8.391 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.960 6.123 9.431 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -4.504 7.382 10.531 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -3.196 6.919 11.601 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -2.725 8.660 9.136 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -3.151 9.351 10.689 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -0.496 8.912 8.850 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.707 8.572 10.098 1.00 1.00 H new ATOM 939 N ASP A 63 -4.600 4.266 9.986 1.00 1.00 N ATOM 940 CA ASP A 63 -5.037 2.982 10.524 1.00 1.00 C ATOM 941 C ASP A 63 -4.287 1.834 9.853 1.00 1.00 C ATOM 942 O ASP A 63 -4.396 0.681 10.269 1.00 1.00 O ATOM 943 CB ASP A 63 -6.543 2.808 10.311 1.00 1.00 C ATOM 944 CG ASP A 63 -7.054 1.632 11.137 1.00 1.00 C ATOM 945 OD1 ASP A 63 -6.325 1.183 12.006 1.00 1.00 O ATOM 946 OD2 ASP A 63 -8.167 1.198 10.889 1.00 1.00 O ATOM 0 H ASP A 63 -5.302 4.756 9.431 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.819 2.966 11.592 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -7.067 3.720 10.598 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.752 2.639 9.255 1.00 1.00 H new ATOM 951 N ILE A 64 -3.528 2.161 8.810 1.00 1.00 N ATOM 952 CA ILE A 64 -2.767 1.160 8.082 1.00 1.00 C ATOM 953 C ILE A 64 -1.589 0.671 8.914 1.00 1.00 C ATOM 954 O ILE A 64 -0.821 1.467 9.455 1.00 1.00 O ATOM 955 CB ILE A 64 -2.263 1.756 6.767 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.433 2.419 6.037 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.660 0.661 5.891 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.584 1.421 5.830 1.00 1.00 C ATOM 0 H ILE A 64 -3.426 3.111 8.454 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.417 0.310 7.872 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.493 2.498 6.977 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.787 3.275 6.611 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.097 2.799 5.072 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.304 1.097 4.957 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.826 0.194 6.415 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.419 -0.091 5.675 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.404 1.915 5.309 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -4.232 0.578 5.236 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.933 1.062 6.798 1.00 1.00 H new ATOM 970 N SER A 65 -1.457 -0.652 9.018 1.00 1.00 N ATOM 971 CA SER A 65 -0.374 -1.261 9.792 1.00 1.00 C ATOM 972 C SER A 65 0.336 -2.327 8.968 1.00 1.00 C ATOM 973 O SER A 65 1.531 -2.555 9.137 1.00 1.00 O ATOM 974 CB SER A 65 -0.940 -1.890 11.066 1.00 1.00 C ATOM 975 OG SER A 65 0.122 -2.451 11.828 1.00 1.00 O ATOM 0 H SER A 65 -2.086 -1.322 8.576 1.00 1.00 H new ATOM 0 HA SER A 65 0.344 -0.485 10.056 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.466 -1.138 11.654 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.667 -2.661 10.812 1.00 1.00 H new ATOM 0 HG SER A 65 -0.239 -2.853 12.646 1.00 1.00 H new ATOM 981 N THR A 66 -0.406 -2.975 8.070 1.00 1.00 N ATOM 982 CA THR A 66 0.159 -4.019 7.211 1.00 1.00 C ATOM 983 C THR A 66 -0.179 -3.744 5.749 1.00 1.00 C ATOM 984 O THR A 66 -0.906 -2.804 5.433 1.00 1.00 O ATOM 985 CB THR A 66 -0.385 -5.395 7.604 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.675 -5.565 7.051 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.472 -5.514 9.118 1.00 1.00 C ATOM 0 H THR A 66 -1.399 -2.797 7.918 1.00 1.00 H new ATOM 0 HA THR A 66 1.241 -4.012 7.341 1.00 1.00 H new ATOM 0 HB THR A 66 0.288 -6.163 7.223 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.621 -5.515 6.074 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.860 -6.497 9.384 1.00 1.00 H new ATOM 0 HG22 THR A 66 0.520 -5.387 9.551 1.00 1.00 H new ATOM 0 HG23 THR A 66 -1.138 -4.744 9.506 1.00 1.00 H new ATOM 995 N ILE A 67 0.367 -4.563 4.863 1.00 1.00 N ATOM 996 CA ILE A 67 0.133 -4.396 3.432 1.00 1.00 C ATOM 997 C ILE A 67 -1.347 -4.544 3.102 1.00 1.00 C ATOM 998 O ILE A 67 -1.920 -3.728 2.384 1.00 1.00 O ATOM 999 CB ILE A 67 0.921 -5.474 2.677 1.00 1.00 C ATOM 1000 CG1 ILE A 67 2.439 -5.217 2.794 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.483 -5.516 1.210 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.916 -4.164 1.778 1.00 1.00 C ATOM 0 H ILE A 67 0.973 -5.347 5.105 1.00 1.00 H new ATOM 0 HA ILE A 67 0.457 -3.398 3.136 1.00 1.00 H new ATOM 0 HB ILE A 67 0.710 -6.444 3.126 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.675 -4.882 3.804 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.980 -6.150 2.633 1.00 1.00 H new ATOM 0 HG21 ILE A 67 1.049 -6.285 0.683 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -0.581 -5.746 1.154 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.669 -4.547 0.747 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.989 -4.010 1.891 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.703 -4.511 0.767 1.00 1.00 H new ATOM 0 HD13 ILE A 67 2.394 -3.224 1.956 1.00 1.00 H new ATOM 1014 N GLN A 68 -1.952 -5.592 3.625 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.353 -5.848 3.379 1.00 1.00 C ATOM 1016 C GLN A 68 -4.227 -4.746 3.975 1.00 1.00 C ATOM 1017 O GLN A 68 -5.280 -4.424 3.433 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.764 -7.206 3.944 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.160 -7.433 5.325 1.00 1.00 C ATOM 1020 CD GLN A 68 -4.052 -6.830 6.413 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.082 -6.096 6.071 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -3.804 -7.031 7.602 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.493 -6.279 4.223 1.00 1.00 H new ATOM 0 HA GLN A 68 -3.502 -5.859 2.299 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -4.851 -7.264 4.005 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.440 -7.997 3.268 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.035 -8.501 5.501 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -2.168 -6.984 5.371 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -3.002 -7.603 7.866 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -4.401 -6.626 8.323 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.799 -4.173 5.098 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.590 -3.120 5.722 1.00 1.00 C ATOM 1033 C GLN A 69 -4.882 -2.043 4.695 1.00 1.00 C ATOM 1034 O GLN A 69 -6.019 -1.592 4.557 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.843 -2.499 6.906 1.00 1.00 C ATOM 1036 CG GLN A 69 -3.780 -3.494 8.072 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.087 -3.479 8.858 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -5.899 -2.568 8.704 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -5.330 -4.436 9.704 1.00 1.00 N ATOM 0 H GLN A 69 -2.934 -4.412 5.582 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.519 -3.556 6.090 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -2.834 -2.219 6.603 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.346 -1.586 7.224 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.589 -4.497 7.692 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -2.950 -3.239 8.731 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -4.654 -5.190 9.829 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -6.196 -4.433 10.243 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.852 -1.654 3.955 1.00 1.00 N ATOM 1049 CA ALA A 70 -4.023 -0.657 2.921 1.00 1.00 C ATOM 1050 C ALA A 70 -4.888 -1.238 1.813 1.00 1.00 C ATOM 1051 O ALA A 70 -5.705 -0.542 1.213 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.660 -0.221 2.362 1.00 1.00 C ATOM 0 H ALA A 70 -2.902 -2.012 4.054 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.511 0.222 3.342 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.808 0.529 1.585 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -2.056 0.202 3.165 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -2.147 -1.085 1.939 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.693 -2.528 1.551 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.451 -3.207 0.511 1.00 1.00 C ATOM 1060 C ALA A 71 -6.952 -3.101 0.761 1.00 1.00 C ATOM 1061 O ALA A 71 -7.716 -2.784 -0.146 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.045 -4.682 0.423 1.00 1.00 C ATOM 0 H ALA A 71 -4.021 -3.118 2.042 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.223 -2.716 -0.435 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.623 -5.172 -0.360 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -3.983 -4.754 0.189 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.240 -5.171 1.378 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.369 -3.365 1.990 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.787 -3.301 2.333 1.00 1.00 C ATOM 1070 C ASP A 72 -9.339 -1.891 2.135 1.00 1.00 C ATOM 1071 O ASP A 72 -10.440 -1.713 1.615 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.983 -3.721 3.786 1.00 1.00 C ATOM 1073 CG ASP A 72 -8.725 -5.216 3.934 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -8.709 -5.896 2.923 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.545 -5.658 5.057 1.00 1.00 O ATOM 0 H ASP A 72 -6.755 -3.624 2.762 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.327 -3.979 1.673 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.305 -3.161 4.430 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.997 -3.485 4.108 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.572 -0.889 2.556 1.00 1.00 N ATOM 1081 CA VAL A 73 -9.003 0.499 2.420 1.00 1.00 C ATOM 1082 C VAL A 73 -9.149 0.874 0.948 1.00 1.00 C ATOM 1083 O VAL A 73 -10.117 1.525 0.557 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.991 1.430 3.096 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.376 2.888 2.833 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.985 1.169 4.606 1.00 1.00 C ATOM 0 H VAL A 73 -7.657 -1.010 2.990 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.973 0.609 2.905 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.998 1.239 2.689 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.654 3.548 3.315 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.378 3.076 1.759 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.370 3.080 3.237 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.265 1.831 5.087 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.979 1.358 5.012 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.707 0.132 4.795 1.00 1.00 H new ATOM 1096 N ILE A 74 -8.179 0.464 0.137 1.00 1.00 N ATOM 1097 CA ILE A 74 -8.213 0.773 -1.288 1.00 1.00 C ATOM 1098 C ILE A 74 -9.440 0.143 -1.946 1.00 1.00 C ATOM 1099 O ILE A 74 -10.157 0.804 -2.694 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.940 0.234 -1.951 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.731 1.046 -1.461 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.054 0.350 -3.476 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.429 0.317 -1.819 1.00 1.00 C ATOM 0 H ILE A 74 -7.368 -0.077 0.438 1.00 1.00 H new ATOM 0 HA ILE A 74 -8.269 1.854 -1.414 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.811 -0.815 -1.684 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.740 2.037 -1.916 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.792 1.190 -0.382 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -6.146 -0.035 -3.939 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.911 -0.228 -3.822 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.187 1.396 -3.752 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.577 0.900 -1.468 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.418 -0.664 -1.343 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -4.365 0.196 -2.900 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.683 -1.130 -1.646 1.00 1.00 N ATOM 1116 CA GLU A 75 -10.835 -1.833 -2.208 1.00 1.00 C ATOM 1117 C GLU A 75 -12.120 -1.072 -1.911 1.00 1.00 C ATOM 1118 O GLU A 75 -13.036 -1.032 -2.731 1.00 1.00 O ATOM 1119 CB GLU A 75 -10.927 -3.231 -1.596 1.00 1.00 C ATOM 1120 CG GLU A 75 -9.763 -4.081 -2.088 1.00 1.00 C ATOM 1121 CD GLU A 75 -9.988 -4.485 -3.541 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -11.022 -5.070 -3.817 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -9.125 -4.202 -4.355 1.00 1.00 O ATOM 0 H GLU A 75 -9.104 -1.693 -1.023 1.00 1.00 H new ATOM 0 HA GLU A 75 -10.707 -1.906 -3.288 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.908 -3.165 -0.508 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -11.873 -3.698 -1.870 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -8.831 -3.523 -1.998 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -9.664 -4.971 -1.466 1.00 1.00 H new ATOM 1130 N GLY A 76 -12.178 -0.474 -0.728 1.00 1.00 N ATOM 1131 CA GLY A 76 -13.359 0.280 -0.325 1.00 1.00 C ATOM 1132 C GLY A 76 -13.581 1.482 -1.240 1.00 1.00 C ATOM 1133 O GLY A 76 -14.715 1.793 -1.608 1.00 1.00 O ATOM 0 H GLY A 76 -11.429 -0.495 -0.036 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -14.235 -0.368 -0.352 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -13.244 0.619 0.705 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.493 2.151 -1.603 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.578 3.318 -2.475 1.00 1.00 C ATOM 1139 C LEU A 77 -13.090 2.921 -3.857 1.00 1.00 C ATOM 1140 O LEU A 77 -13.897 3.631 -4.455 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.203 3.978 -2.600 1.00 1.00 C ATOM 1142 CG LEU A 77 -10.807 4.617 -1.258 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.335 5.034 -1.322 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -11.688 5.853 -0.964 1.00 1.00 C ATOM 0 H LEU A 77 -11.547 1.908 -1.310 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.279 4.027 -2.035 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.459 3.237 -2.894 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.224 4.737 -3.382 1.00 1.00 H new ATOM 0 HG LEU A 77 -10.955 3.892 -0.458 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.044 5.488 -0.375 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.716 4.156 -1.509 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.196 5.754 -2.128 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.393 6.292 -0.011 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -11.559 6.589 -1.757 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -12.734 5.551 -0.916 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.612 1.787 -4.358 1.00 1.00 N ATOM 1157 CA LEU A 78 -13.026 1.315 -5.674 1.00 1.00 C ATOM 1158 C LEU A 78 -14.528 1.031 -5.681 1.00 1.00 C ATOM 1159 O LEU A 78 -15.225 1.342 -6.646 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.244 0.043 -6.062 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.860 0.401 -6.637 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -9.917 0.827 -5.512 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -10.274 -0.824 -7.340 1.00 1.00 C ATOM 0 H LEU A 78 -11.944 1.183 -3.879 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.809 2.093 -6.406 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.124 -0.596 -5.187 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.811 -0.527 -6.798 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.971 1.223 -7.344 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -8.942 1.078 -5.930 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.328 1.698 -5.003 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -9.807 0.009 -4.800 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.295 -0.575 -7.748 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -10.172 -1.640 -6.625 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -10.937 -1.131 -8.149 1.00 1.00 H new