USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 654 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 9 GLN : amide:sc= 0.965 K(o=2.7,f=1.1) USER MOD Set 1.2: A 13 THR OG1 : rot 112:sc= 1.78 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.384 X(o=-0.38,f=0) USER MOD Single : A 10 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.18) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -2 K(o=-2,f=-4.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.05 K(o=-1,f=-5.7!) USER MOD Single : A 23 GLN : amide:sc= -0.0135 K(o=-0.014,f=-0.94) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.384 K(o=-0.38,f=-3!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.39! K(o=-2.4!,f=-0.56) USER MOD Single : A 34 HIS : no HE2:sc= -21.8! C(o=-22!,f=-23!) USER MOD Single : A 39 ASN : amide:sc= -1.19 X(o=-1.2,f=-0.95) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 81:sc= 1.01 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -162:sc= -0.208 (180deg=-0.896) USER MOD Single : A 55 ASN : amide:sc= -9.89! C(o=-9.9!,f=-14!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.068) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0899 USER MOD Single : A 71 LYS NZ :NH3+ -116:sc= -1.5 (180deg=-4.16!) USER MOD Single : A 73 GLN : amide:sc= -0.198 K(o=-0.2,f=-0.81) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.0641 X(o=-0.064,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 33.843 -12.663 -35.985 1.00 0.00 N ATOM 2 CA GLY A 1 33.067 -12.782 -34.720 1.00 0.00 C ATOM 3 C GLY A 1 33.804 -12.197 -33.531 1.00 0.00 C ATOM 4 O GLY A 1 34.093 -11.001 -33.498 1.00 0.00 O ATOM 0 H1 GLY A 1 33.297 -13.077 -36.767 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.029 -11.660 -36.185 1.00 0.00 H new ATOM 0 H3 GLY A 1 34.746 -13.169 -35.887 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.109 -12.274 -34.836 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.850 -13.833 -34.528 1.00 0.00 H new ATOM 10 N SER A 2 34.108 -13.043 -32.553 1.00 0.00 N ATOM 11 CA SER A 2 34.817 -12.604 -31.355 1.00 0.00 C ATOM 12 C SER A 2 34.047 -11.501 -30.634 1.00 0.00 C ATOM 13 O SER A 2 34.099 -10.335 -31.027 1.00 0.00 O ATOM 14 CB SER A 2 36.217 -12.108 -31.719 1.00 0.00 C ATOM 15 OG SER A 2 36.781 -12.887 -32.759 1.00 0.00 O ATOM 0 H SER A 2 33.875 -14.036 -32.565 1.00 0.00 H new ATOM 0 HA SER A 2 34.903 -13.458 -30.684 1.00 0.00 H new ATOM 0 HB2 SER A 2 36.167 -11.064 -32.029 1.00 0.00 H new ATOM 0 HB3 SER A 2 36.860 -12.149 -30.840 1.00 0.00 H new ATOM 0 HG SER A 2 37.675 -12.548 -32.974 1.00 0.00 H new ATOM 21 N SER A 3 33.333 -11.877 -29.578 1.00 0.00 N ATOM 22 CA SER A 3 32.551 -10.924 -28.800 1.00 0.00 C ATOM 23 C SER A 3 31.542 -10.194 -29.683 1.00 0.00 C ATOM 24 O SER A 3 31.779 -9.063 -30.110 1.00 0.00 O ATOM 25 CB SER A 3 33.476 -9.915 -28.114 1.00 0.00 C ATOM 26 OG SER A 3 33.381 -10.013 -26.704 1.00 0.00 O ATOM 0 H SER A 3 33.280 -12.838 -29.241 1.00 0.00 H new ATOM 0 HA SER A 3 32.001 -11.478 -28.039 1.00 0.00 H new ATOM 0 HB2 SER A 3 34.506 -10.091 -28.425 1.00 0.00 H new ATOM 0 HB3 SER A 3 33.215 -8.905 -28.430 1.00 0.00 H new ATOM 0 HG SER A 3 33.982 -9.360 -26.289 1.00 0.00 H new ATOM 32 N LEU A 4 30.416 -10.847 -29.949 1.00 0.00 N ATOM 33 CA LEU A 4 29.370 -10.260 -30.778 1.00 0.00 C ATOM 34 C LEU A 4 28.579 -9.221 -29.989 1.00 0.00 C ATOM 35 O LEU A 4 28.875 -8.956 -28.824 1.00 0.00 O ATOM 36 CB LEU A 4 28.431 -11.351 -31.300 1.00 0.00 C ATOM 37 CG LEU A 4 28.564 -11.661 -32.793 1.00 0.00 C ATOM 38 CD1 LEU A 4 28.386 -13.151 -33.045 1.00 0.00 C ATOM 39 CD2 LEU A 4 27.555 -10.857 -33.600 1.00 0.00 C ATOM 0 H LEU A 4 30.204 -11.783 -29.603 1.00 0.00 H new ATOM 0 HA LEU A 4 29.842 -9.765 -31.627 1.00 0.00 H new ATOM 0 HB2 LEU A 4 28.614 -12.266 -30.737 1.00 0.00 H new ATOM 0 HB3 LEU A 4 27.403 -11.052 -31.097 1.00 0.00 H new ATOM 0 HG LEU A 4 29.565 -11.374 -33.116 1.00 0.00 H new ATOM 0 HD11 LEU A 4 28.484 -13.354 -34.112 1.00 0.00 H new ATOM 0 HD12 LEU A 4 29.149 -13.706 -32.499 1.00 0.00 H new ATOM 0 HD13 LEU A 4 27.398 -13.462 -32.705 1.00 0.00 H new ATOM 0 HD21 LEU A 4 27.666 -11.092 -34.659 1.00 0.00 H new ATOM 0 HD22 LEU A 4 26.545 -11.110 -33.276 1.00 0.00 H new ATOM 0 HD23 LEU A 4 27.730 -9.792 -33.444 1.00 0.00 H new ATOM 51 N ALA A 5 27.573 -8.639 -30.630 1.00 0.00 N ATOM 52 CA ALA A 5 26.737 -7.631 -29.986 1.00 0.00 C ATOM 53 C ALA A 5 26.136 -8.165 -28.690 1.00 0.00 C ATOM 54 O ALA A 5 25.521 -9.230 -28.672 1.00 0.00 O ATOM 55 CB ALA A 5 25.634 -7.181 -30.933 1.00 0.00 C ATOM 0 H ALA A 5 27.316 -8.847 -31.595 1.00 0.00 H new ATOM 0 HA ALA A 5 27.365 -6.774 -29.740 1.00 0.00 H new ATOM 0 HB1 ALA A 5 25.017 -6.429 -30.441 1.00 0.00 H new ATOM 0 HB2 ALA A 5 26.078 -6.755 -31.832 1.00 0.00 H new ATOM 0 HB3 ALA A 5 25.016 -8.037 -31.204 1.00 0.00 H new ATOM 61 N SER A 6 26.317 -7.416 -27.607 1.00 0.00 N ATOM 62 CA SER A 6 25.787 -7.817 -26.310 1.00 0.00 C ATOM 63 C SER A 6 24.266 -7.713 -26.302 1.00 0.00 C ATOM 64 O SER A 6 23.676 -7.059 -27.162 1.00 0.00 O ATOM 65 CB SER A 6 26.380 -6.946 -25.201 1.00 0.00 C ATOM 66 OG SER A 6 27.361 -7.658 -24.464 1.00 0.00 O ATOM 0 H SER A 6 26.825 -6.531 -27.602 1.00 0.00 H new ATOM 0 HA SER A 6 26.067 -8.855 -26.128 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.825 -6.051 -25.636 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.587 -6.614 -24.531 1.00 0.00 H new ATOM 0 HG SER A 6 27.726 -7.080 -23.762 1.00 0.00 H new ATOM 72 N GLN A 7 23.634 -8.362 -25.329 1.00 0.00 N ATOM 73 CA GLN A 7 22.181 -8.337 -25.221 1.00 0.00 C ATOM 74 C GLN A 7 21.718 -7.174 -24.355 1.00 0.00 C ATOM 75 O GLN A 7 22.494 -6.610 -23.585 1.00 0.00 O ATOM 76 CB GLN A 7 21.665 -9.658 -24.650 1.00 0.00 C ATOM 77 CG GLN A 7 20.458 -10.206 -25.394 1.00 0.00 C ATOM 78 CD GLN A 7 20.843 -11.172 -26.497 1.00 0.00 C ATOM 79 OE1 GLN A 7 20.461 -12.342 -26.477 1.00 0.00 O ATOM 80 NE2 GLN A 7 21.607 -10.687 -27.471 1.00 0.00 N ATOM 0 H GLN A 7 24.103 -8.909 -24.607 1.00 0.00 H new ATOM 0 HA GLN A 7 21.771 -8.202 -26.222 1.00 0.00 H new ATOM 0 HB2 GLN A 7 22.467 -10.396 -24.679 1.00 0.00 H new ATOM 0 HB3 GLN A 7 21.402 -9.514 -23.602 1.00 0.00 H new ATOM 0 HG2 GLN A 7 19.799 -10.711 -24.688 1.00 0.00 H new ATOM 0 HG3 GLN A 7 19.893 -9.378 -25.822 1.00 0.00 H new ATOM 0 HE21 GLN A 7 21.902 -9.711 -27.450 1.00 0.00 H new ATOM 0 HE22 GLN A 7 21.898 -11.291 -28.240 1.00 0.00 H new ATOM 89 N GLY A 8 20.445 -6.819 -24.490 1.00 0.00 N ATOM 90 CA GLY A 8 19.896 -5.722 -23.718 1.00 0.00 C ATOM 91 C GLY A 8 19.074 -6.198 -22.537 1.00 0.00 C ATOM 92 O GLY A 8 17.899 -5.851 -22.415 1.00 0.00 O ATOM 0 H GLY A 8 19.784 -7.272 -25.121 1.00 0.00 H new ATOM 0 HA2 GLY A 8 20.709 -5.091 -23.360 1.00 0.00 H new ATOM 0 HA3 GLY A 8 19.273 -5.103 -24.364 1.00 0.00 H new ATOM 96 N GLN A 9 19.692 -6.984 -21.661 1.00 0.00 N ATOM 97 CA GLN A 9 19.003 -7.494 -20.481 1.00 0.00 C ATOM 98 C GLN A 9 18.966 -6.438 -19.378 1.00 0.00 C ATOM 99 O GLN A 9 19.353 -6.697 -18.239 1.00 0.00 O ATOM 100 CB GLN A 9 19.684 -8.766 -19.965 1.00 0.00 C ATOM 101 CG GLN A 9 21.202 -8.682 -19.936 1.00 0.00 C ATOM 102 CD GLN A 9 21.797 -9.313 -18.691 1.00 0.00 C ATOM 103 OE1 GLN A 9 22.401 -10.383 -18.751 1.00 0.00 O ATOM 104 NE2 GLN A 9 21.628 -8.648 -17.553 1.00 0.00 N ATOM 0 H GLN A 9 20.664 -7.281 -21.745 1.00 0.00 H new ATOM 0 HA GLN A 9 17.979 -7.736 -20.767 1.00 0.00 H new ATOM 0 HB2 GLN A 9 19.322 -8.978 -18.959 1.00 0.00 H new ATOM 0 HB3 GLN A 9 19.388 -9.606 -20.594 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.607 -9.177 -20.819 1.00 0.00 H new ATOM 0 HG3 GLN A 9 21.506 -7.636 -19.990 1.00 0.00 H new ATOM 0 HE21 GLN A 9 21.120 -7.763 -17.550 1.00 0.00 H new ATOM 0 HE22 GLN A 9 22.006 -9.022 -16.683 1.00 0.00 H new ATOM 113 N ASN A 10 18.495 -5.246 -19.729 1.00 0.00 N ATOM 114 CA ASN A 10 18.403 -4.145 -18.780 1.00 0.00 C ATOM 115 C ASN A 10 17.391 -4.459 -17.683 1.00 0.00 C ATOM 116 O ASN A 10 17.478 -3.928 -16.575 1.00 0.00 O ATOM 117 CB ASN A 10 18.005 -2.859 -19.505 1.00 0.00 C ATOM 118 CG ASN A 10 18.673 -1.632 -18.917 1.00 0.00 C ATOM 119 OD1 ASN A 10 19.890 -1.597 -18.738 1.00 0.00 O ATOM 120 ND2 ASN A 10 17.875 -0.613 -18.612 1.00 0.00 N ATOM 0 H ASN A 10 18.170 -5.018 -20.669 1.00 0.00 H new ATOM 0 HA ASN A 10 19.381 -4.008 -18.318 1.00 0.00 H new ATOM 0 HB2 ASN A 10 18.270 -2.943 -20.559 1.00 0.00 H new ATOM 0 HB3 ASN A 10 16.923 -2.738 -19.457 1.00 0.00 H new ATOM 0 HD21 ASN A 10 18.267 0.240 -18.213 1.00 0.00 H new ATOM 0 HD22 ASN A 10 16.871 -0.684 -18.777 1.00 0.00 H new ATOM 127 N LEU A 11 16.431 -5.321 -18.001 1.00 0.00 N ATOM 128 CA LEU A 11 15.401 -5.704 -17.045 1.00 0.00 C ATOM 129 C LEU A 11 15.998 -6.476 -15.873 1.00 0.00 C ATOM 130 O LEU A 11 15.900 -6.050 -14.722 1.00 0.00 O ATOM 131 CB LEU A 11 14.331 -6.551 -17.738 1.00 0.00 C ATOM 132 CG LEU A 11 13.630 -5.872 -18.916 1.00 0.00 C ATOM 133 CD1 LEU A 11 13.172 -6.907 -19.931 1.00 0.00 C ATOM 134 CD2 LEU A 11 12.451 -5.039 -18.427 1.00 0.00 C ATOM 0 H LEU A 11 16.346 -5.767 -18.914 1.00 0.00 H new ATOM 0 HA LEU A 11 14.945 -4.794 -16.656 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.792 -7.473 -18.092 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.579 -6.833 -17.001 1.00 0.00 H new ATOM 0 HG LEU A 11 14.341 -5.205 -19.404 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.675 -6.406 -20.762 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.035 -7.459 -20.303 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.476 -7.599 -19.456 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.964 -4.563 -19.278 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.737 -5.684 -17.915 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.807 -4.273 -17.738 1.00 0.00 H new ATOM 146 N SER A 12 16.617 -7.614 -16.172 1.00 0.00 N ATOM 147 CA SER A 12 17.229 -8.447 -15.140 1.00 0.00 C ATOM 148 C SER A 12 18.433 -7.748 -14.511 1.00 0.00 C ATOM 149 O SER A 12 18.820 -8.054 -13.384 1.00 0.00 O ATOM 150 CB SER A 12 17.650 -9.794 -15.725 1.00 0.00 C ATOM 151 OG SER A 12 18.151 -10.656 -14.716 1.00 0.00 O ATOM 0 H SER A 12 16.709 -7.981 -17.119 1.00 0.00 H new ATOM 0 HA SER A 12 16.487 -8.615 -14.360 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.798 -10.262 -16.217 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.413 -9.640 -16.488 1.00 0.00 H new ATOM 0 HG SER A 12 18.412 -11.512 -15.117 1.00 0.00 H new ATOM 157 N THR A 13 19.021 -6.809 -15.247 1.00 0.00 N ATOM 158 CA THR A 13 20.178 -6.068 -14.759 1.00 0.00 C ATOM 159 C THR A 13 19.783 -5.159 -13.595 1.00 0.00 C ATOM 160 O THR A 13 20.159 -5.401 -12.447 1.00 0.00 O ATOM 161 CB THR A 13 20.788 -5.239 -15.893 1.00 0.00 C ATOM 162 OG1 THR A 13 21.343 -6.085 -16.886 1.00 0.00 O ATOM 163 CG2 THR A 13 21.882 -4.293 -15.438 1.00 0.00 C ATOM 0 H THR A 13 18.715 -6.544 -16.183 1.00 0.00 H new ATOM 0 HA THR A 13 20.921 -6.781 -14.402 1.00 0.00 H new ATOM 0 HB THR A 13 19.963 -4.645 -16.286 1.00 0.00 H new ATOM 0 HG1 THR A 13 20.817 -6.012 -17.710 1.00 0.00 H new ATOM 0 HG21 THR A 13 22.265 -3.741 -16.296 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.477 -3.593 -14.707 1.00 0.00 H new ATOM 0 HG23 THR A 13 22.691 -4.864 -14.983 1.00 0.00 H new ATOM 171 N VAL A 14 19.024 -4.115 -13.905 1.00 0.00 N ATOM 172 CA VAL A 14 18.569 -3.163 -12.900 1.00 0.00 C ATOM 173 C VAL A 14 17.346 -3.708 -12.151 1.00 0.00 C ATOM 174 O VAL A 14 16.877 -4.810 -12.440 1.00 0.00 O ATOM 175 CB VAL A 14 18.242 -1.801 -13.557 1.00 0.00 C ATOM 176 CG1 VAL A 14 16.941 -1.866 -14.348 1.00 0.00 C ATOM 177 CG2 VAL A 14 18.195 -0.687 -12.520 1.00 0.00 C ATOM 0 H VAL A 14 18.709 -3.906 -14.852 1.00 0.00 H new ATOM 0 HA VAL A 14 19.372 -3.015 -12.178 1.00 0.00 H new ATOM 0 HB VAL A 14 19.046 -1.573 -14.257 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.739 -0.894 -14.797 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.030 -2.617 -15.133 1.00 0.00 H new ATOM 0 HG13 VAL A 14 16.122 -2.134 -13.680 1.00 0.00 H new ATOM 0 HG21 VAL A 14 17.963 0.258 -13.011 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.425 -0.910 -11.781 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.163 -0.610 -12.024 1.00 0.00 H new ATOM 187 N LEU A 15 16.835 -2.943 -11.186 1.00 0.00 N ATOM 188 CA LEU A 15 15.673 -3.364 -10.403 1.00 0.00 C ATOM 189 C LEU A 15 14.362 -3.041 -11.116 1.00 0.00 C ATOM 190 O LEU A 15 13.348 -2.775 -10.473 1.00 0.00 O ATOM 191 CB LEU A 15 15.683 -2.683 -9.030 1.00 0.00 C ATOM 192 CG LEU A 15 16.780 -3.144 -8.062 1.00 0.00 C ATOM 193 CD1 LEU A 15 16.975 -4.651 -8.136 1.00 0.00 C ATOM 194 CD2 LEU A 15 18.085 -2.419 -8.355 1.00 0.00 C ATOM 0 H LEU A 15 17.207 -2.029 -10.928 1.00 0.00 H new ATOM 0 HA LEU A 15 15.739 -4.445 -10.281 1.00 0.00 H new ATOM 0 HB2 LEU A 15 15.786 -1.608 -9.180 1.00 0.00 H new ATOM 0 HB3 LEU A 15 14.715 -2.848 -8.557 1.00 0.00 H new ATOM 0 HG LEU A 15 16.465 -2.896 -7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.758 -4.951 -7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.044 -5.152 -7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.263 -4.931 -9.149 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.853 -2.757 -7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.400 -2.634 -9.376 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.938 -1.345 -8.239 1.00 0.00 H new ATOM 206 N ALA A 16 14.384 -3.060 -12.444 1.00 0.00 N ATOM 207 CA ALA A 16 13.192 -2.765 -13.230 1.00 0.00 C ATOM 208 C ALA A 16 12.100 -3.810 -13.013 1.00 0.00 C ATOM 209 O ALA A 16 10.922 -3.546 -13.252 1.00 0.00 O ATOM 210 CB ALA A 16 13.544 -2.666 -14.707 1.00 0.00 C ATOM 0 H ALA A 16 15.213 -3.276 -12.998 1.00 0.00 H new ATOM 0 HA ALA A 16 12.802 -1.805 -12.892 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.644 -2.445 -15.281 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.273 -1.869 -14.855 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.967 -3.612 -15.044 1.00 0.00 H new ATOM 216 N ASN A 17 12.491 -4.999 -12.556 1.00 0.00 N ATOM 217 CA ASN A 17 11.532 -6.073 -12.311 1.00 0.00 C ATOM 218 C ASN A 17 10.909 -5.958 -10.921 1.00 0.00 C ATOM 219 O ASN A 17 10.065 -6.774 -10.544 1.00 0.00 O ATOM 220 CB ASN A 17 12.210 -7.439 -12.452 1.00 0.00 C ATOM 221 CG ASN A 17 12.964 -7.584 -13.759 1.00 0.00 C ATOM 222 OD1 ASN A 17 14.194 -7.616 -13.778 1.00 0.00 O ATOM 223 ND2 ASN A 17 12.227 -7.677 -14.858 1.00 0.00 N ATOM 0 H ASN A 17 13.460 -5.241 -12.349 1.00 0.00 H new ATOM 0 HA ASN A 17 10.741 -5.980 -13.055 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.900 -7.586 -11.621 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.456 -8.223 -12.383 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.678 -7.780 -15.767 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.210 -7.646 -14.794 1.00 0.00 H new ATOM 230 N LEU A 18 11.324 -4.950 -10.159 1.00 0.00 N ATOM 231 CA LEU A 18 10.800 -4.747 -8.815 1.00 0.00 C ATOM 232 C LEU A 18 9.913 -3.507 -8.752 1.00 0.00 C ATOM 233 O LEU A 18 10.226 -2.544 -8.052 1.00 0.00 O ATOM 234 CB LEU A 18 11.951 -4.611 -7.815 1.00 0.00 C ATOM 235 CG LEU A 18 12.493 -5.931 -7.264 1.00 0.00 C ATOM 236 CD1 LEU A 18 13.129 -6.752 -8.376 1.00 0.00 C ATOM 237 CD2 LEU A 18 13.496 -5.671 -6.147 1.00 0.00 C ATOM 0 H LEU A 18 12.020 -4.263 -10.450 1.00 0.00 H new ATOM 0 HA LEU A 18 10.195 -5.616 -8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.768 -4.074 -8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.615 -3.997 -6.979 1.00 0.00 H new ATOM 0 HG LEU A 18 11.660 -6.501 -6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.509 -7.688 -7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.383 -6.968 -9.141 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.951 -6.190 -8.819 1.00 0.00 H new ATOM 0 HD21 LEU A 18 13.871 -6.621 -5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.327 -5.081 -6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.008 -5.124 -5.340 1.00 0.00 H new ATOM 249 N THR A 19 8.801 -3.537 -9.480 1.00 0.00 N ATOM 250 CA THR A 19 7.873 -2.414 -9.497 1.00 0.00 C ATOM 251 C THR A 19 6.867 -2.509 -8.345 1.00 0.00 C ATOM 252 O THR A 19 6.686 -1.551 -7.596 1.00 0.00 O ATOM 253 CB THR A 19 7.137 -2.352 -10.838 1.00 0.00 C ATOM 254 OG1 THR A 19 8.053 -2.188 -11.906 1.00 0.00 O ATOM 255 CG2 THR A 19 6.133 -1.220 -10.923 1.00 0.00 C ATOM 0 H THR A 19 8.522 -4.325 -10.064 1.00 0.00 H new ATOM 0 HA THR A 19 8.451 -1.499 -9.367 1.00 0.00 H new ATOM 0 HB THR A 19 6.602 -3.299 -10.914 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.563 -2.152 -12.754 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.649 -1.236 -11.899 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.381 -1.341 -10.143 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.646 -0.268 -10.788 1.00 0.00 H new ATOM 263 N PRO A 20 6.188 -3.666 -8.186 1.00 0.00 N ATOM 264 CA PRO A 20 5.202 -3.850 -7.116 1.00 0.00 C ATOM 265 C PRO A 20 5.836 -3.908 -5.731 1.00 0.00 C ATOM 266 O PRO A 20 5.184 -3.613 -4.731 1.00 0.00 O ATOM 267 CB PRO A 20 4.540 -5.187 -7.457 1.00 0.00 C ATOM 268 CG PRO A 20 5.555 -5.920 -8.262 1.00 0.00 C ATOM 269 CD PRO A 20 6.319 -4.874 -9.026 1.00 0.00 C ATOM 0 HA PRO A 20 4.505 -3.014 -7.069 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.277 -5.739 -6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.619 -5.040 -8.021 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.220 -6.496 -7.619 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.077 -6.627 -8.941 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.363 -5.158 -9.160 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.901 -4.718 -10.020 1.00 0.00 H new ATOM 277 N GLU A 21 7.107 -4.291 -5.675 1.00 0.00 N ATOM 278 CA GLU A 21 7.816 -4.381 -4.401 1.00 0.00 C ATOM 279 C GLU A 21 8.297 -3.007 -3.945 1.00 0.00 C ATOM 280 O GLU A 21 8.143 -2.644 -2.779 1.00 0.00 O ATOM 281 CB GLU A 21 9.006 -5.336 -4.515 1.00 0.00 C ATOM 282 CG GLU A 21 9.594 -5.729 -3.169 1.00 0.00 C ATOM 283 CD GLU A 21 10.638 -6.824 -3.281 1.00 0.00 C ATOM 284 OE1 GLU A 21 10.715 -7.464 -4.351 1.00 0.00 O ATOM 285 OE2 GLU A 21 11.376 -7.043 -2.299 1.00 0.00 O ATOM 0 H GLU A 21 7.666 -4.543 -6.490 1.00 0.00 H new ATOM 0 HA GLU A 21 7.119 -4.769 -3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.691 -6.236 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.782 -4.867 -5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.043 -4.852 -2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.792 -6.064 -2.511 1.00 0.00 H new ATOM 292 N GLN A 22 8.877 -2.249 -4.869 1.00 0.00 N ATOM 293 CA GLN A 22 9.377 -0.917 -4.554 1.00 0.00 C ATOM 294 C GLN A 22 8.227 0.067 -4.371 1.00 0.00 C ATOM 295 O GLN A 22 8.178 0.804 -3.388 1.00 0.00 O ATOM 296 CB GLN A 22 10.320 -0.428 -5.657 1.00 0.00 C ATOM 297 CG GLN A 22 11.549 -1.304 -5.839 1.00 0.00 C ATOM 298 CD GLN A 22 12.532 -1.179 -4.691 1.00 0.00 C ATOM 299 OE1 GLN A 22 12.148 -0.890 -3.559 1.00 0.00 O ATOM 300 NE2 GLN A 22 13.810 -1.398 -4.980 1.00 0.00 N ATOM 0 H GLN A 22 9.012 -2.533 -5.839 1.00 0.00 H new ATOM 0 HA GLN A 22 9.930 -0.975 -3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.773 -0.384 -6.599 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.639 0.588 -5.426 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.238 -2.344 -5.934 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.048 -1.034 -6.770 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.084 -1.635 -5.933 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.517 -1.329 -4.248 1.00 0.00 H new ATOM 309 N GLN A 23 7.306 0.075 -5.327 1.00 0.00 N ATOM 310 CA GLN A 23 6.159 0.974 -5.270 1.00 0.00 C ATOM 311 C GLN A 23 5.363 0.772 -3.981 1.00 0.00 C ATOM 312 O GLN A 23 5.091 1.727 -3.256 1.00 0.00 O ATOM 313 CB GLN A 23 5.252 0.764 -6.482 1.00 0.00 C ATOM 314 CG GLN A 23 4.409 1.986 -6.819 1.00 0.00 C ATOM 315 CD GLN A 23 3.169 1.643 -7.619 1.00 0.00 C ATOM 316 OE1 GLN A 23 2.064 2.082 -7.294 1.00 0.00 O ATOM 317 NE2 GLN A 23 3.344 0.858 -8.677 1.00 0.00 N ATOM 0 H GLN A 23 7.330 -0.529 -6.149 1.00 0.00 H new ATOM 0 HA GLN A 23 6.537 1.996 -5.283 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.864 0.504 -7.345 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.593 -0.083 -6.292 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.113 2.483 -5.895 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.015 2.695 -7.383 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.277 0.517 -8.910 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.546 0.597 -9.256 1.00 0.00 H new ATOM 326 N LYS A 24 4.996 -0.476 -3.697 1.00 0.00 N ATOM 327 CA LYS A 24 4.236 -0.790 -2.489 1.00 0.00 C ATOM 328 C LYS A 24 4.934 -0.248 -1.246 1.00 0.00 C ATOM 329 O LYS A 24 4.291 0.051 -0.239 1.00 0.00 O ATOM 330 CB LYS A 24 4.047 -2.302 -2.353 1.00 0.00 C ATOM 331 CG LYS A 24 2.838 -2.838 -3.102 1.00 0.00 C ATOM 332 CD LYS A 24 1.786 -3.396 -2.152 1.00 0.00 C ATOM 333 CE LYS A 24 1.745 -4.915 -2.194 1.00 0.00 C ATOM 334 NZ LYS A 24 0.406 -5.444 -1.811 1.00 0.00 N ATOM 0 H LYS A 24 5.211 -1.282 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 24 3.260 -0.312 -2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.942 -2.805 -2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.949 -2.553 -1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.399 -2.041 -3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.155 -3.619 -3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.000 -3.065 -1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.807 -2.997 -2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.998 -5.258 -3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.501 -5.318 -1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.419 -6.483 -1.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.176 -5.138 -0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.312 -5.080 -2.469 1.00 0.00 H new ATOM 348 N ASN A 25 6.256 -0.127 -1.323 1.00 0.00 N ATOM 349 CA ASN A 25 7.046 0.373 -0.206 1.00 0.00 C ATOM 350 C ASN A 25 6.818 1.867 0.015 1.00 0.00 C ATOM 351 O ASN A 25 6.486 2.293 1.121 1.00 0.00 O ATOM 352 CB ASN A 25 8.532 0.095 -0.443 1.00 0.00 C ATOM 353 CG ASN A 25 9.066 -1.000 0.458 1.00 0.00 C ATOM 354 OD1 ASN A 25 8.325 -1.591 1.245 1.00 0.00 O ATOM 355 ND2 ASN A 25 10.361 -1.278 0.350 1.00 0.00 N ATOM 0 H ASN A 25 6.802 -0.369 -2.150 1.00 0.00 H new ATOM 0 HA ASN A 25 6.723 -0.151 0.693 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.684 -0.189 -1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.101 1.009 -0.275 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.777 -2.005 0.932 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.939 -0.764 -0.315 1.00 0.00 H new ATOM 362 N VAL A 26 6.997 2.662 -1.038 1.00 0.00 N ATOM 363 CA VAL A 26 6.809 4.106 -0.938 1.00 0.00 C ATOM 364 C VAL A 26 5.409 4.441 -0.431 1.00 0.00 C ATOM 365 O VAL A 26 5.242 5.314 0.422 1.00 0.00 O ATOM 366 CB VAL A 26 7.064 4.815 -2.290 1.00 0.00 C ATOM 367 CG1 VAL A 26 5.805 4.871 -3.144 1.00 0.00 C ATOM 368 CG2 VAL A 26 7.614 6.213 -2.056 1.00 0.00 C ATOM 0 H VAL A 26 7.270 2.333 -1.964 1.00 0.00 H new ATOM 0 HA VAL A 26 7.543 4.473 -0.220 1.00 0.00 H new ATOM 0 HB VAL A 26 7.803 4.230 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.025 5.376 -4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.459 3.858 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.028 5.419 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.789 6.700 -3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.895 6.795 -1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.553 6.147 -1.506 1.00 0.00 H new ATOM 378 N LEU A 27 4.410 3.742 -0.958 1.00 0.00 N ATOM 379 CA LEU A 27 3.027 3.962 -0.556 1.00 0.00 C ATOM 380 C LEU A 27 2.870 3.825 0.952 1.00 0.00 C ATOM 381 O LEU A 27 2.342 4.717 1.609 1.00 0.00 O ATOM 382 CB LEU A 27 2.103 2.960 -1.257 1.00 0.00 C ATOM 383 CG LEU A 27 1.726 3.269 -2.718 1.00 0.00 C ATOM 384 CD1 LEU A 27 2.236 4.634 -3.162 1.00 0.00 C ATOM 385 CD2 LEU A 27 2.250 2.182 -3.646 1.00 0.00 C ATOM 0 H LEU A 27 4.533 3.018 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 27 2.751 4.976 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.580 1.980 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.183 2.883 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 27 0.638 3.291 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.948 4.811 -4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.803 5.408 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.322 4.661 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.974 2.417 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.336 2.127 -3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.816 1.223 -3.364 1.00 0.00 H new ATOM 397 N GLY A 28 3.316 2.692 1.489 1.00 0.00 N ATOM 398 CA GLY A 28 3.191 2.442 2.915 1.00 0.00 C ATOM 399 C GLY A 28 3.916 3.467 3.762 1.00 0.00 C ATOM 400 O GLY A 28 3.355 3.978 4.731 1.00 0.00 O ATOM 0 H GLY A 28 3.762 1.942 0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.135 2.436 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.583 1.450 3.140 1.00 0.00 H new ATOM 404 N GLU A 29 5.153 3.780 3.404 1.00 0.00 N ATOM 405 CA GLU A 29 5.924 4.765 4.153 1.00 0.00 C ATOM 406 C GLU A 29 5.251 6.129 4.063 1.00 0.00 C ATOM 407 O GLU A 29 5.002 6.781 5.076 1.00 0.00 O ATOM 408 CB GLU A 29 7.358 4.840 3.625 1.00 0.00 C ATOM 409 CG GLU A 29 8.242 3.707 4.119 1.00 0.00 C ATOM 410 CD GLU A 29 8.641 3.868 5.574 1.00 0.00 C ATOM 411 OE1 GLU A 29 7.733 3.952 6.429 1.00 0.00 O ATOM 412 OE2 GLU A 29 9.855 3.913 5.856 1.00 0.00 O ATOM 0 H GLU A 29 5.642 3.371 2.607 1.00 0.00 H new ATOM 0 HA GLU A 29 5.962 4.459 5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.337 4.826 2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.798 5.791 3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.717 2.760 3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.140 3.657 3.503 1.00 0.00 H new ATOM 419 N ARG A 30 4.948 6.546 2.840 1.00 0.00 N ATOM 420 CA ARG A 30 4.292 7.826 2.606 1.00 0.00 C ATOM 421 C ARG A 30 2.846 7.796 3.096 1.00 0.00 C ATOM 422 O ARG A 30 2.203 8.838 3.223 1.00 0.00 O ATOM 423 CB ARG A 30 4.324 8.174 1.118 1.00 0.00 C ATOM 424 CG ARG A 30 5.720 8.150 0.518 1.00 0.00 C ATOM 425 CD ARG A 30 6.294 9.552 0.386 1.00 0.00 C ATOM 426 NE ARG A 30 7.731 9.582 0.639 1.00 0.00 N ATOM 427 CZ ARG A 30 8.524 10.596 0.297 1.00 0.00 C ATOM 428 NH1 ARG A 30 8.022 11.661 -0.315 1.00 0.00 N ATOM 429 NH2 ARG A 30 9.822 10.544 0.567 1.00 0.00 N ATOM 0 H ARG A 30 5.147 6.014 1.993 1.00 0.00 H new ATOM 0 HA ARG A 30 4.833 8.589 3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.692 7.471 0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.893 9.165 0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.376 7.545 1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.688 7.675 -0.463 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.095 9.932 -0.616 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.789 10.218 1.086 1.00 0.00 H new ATOM 0 HE ARG A 30 8.153 8.779 1.105 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.025 11.706 -0.525 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.633 12.435 -0.575 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.213 9.727 1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.429 11.321 0.305 1.00 0.00 H new ATOM 443 N LEU A 31 2.331 6.596 3.370 1.00 0.00 N ATOM 444 CA LEU A 31 0.964 6.444 3.842 1.00 0.00 C ATOM 445 C LEU A 31 0.858 6.816 5.314 1.00 0.00 C ATOM 446 O LEU A 31 0.141 7.739 5.692 1.00 0.00 O ATOM 447 CB LEU A 31 0.517 4.992 3.657 1.00 0.00 C ATOM 448 CG LEU A 31 -0.732 4.800 2.805 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.372 4.202 1.454 1.00 0.00 C ATOM 450 CD2 LEU A 31 -1.746 3.921 3.527 1.00 0.00 C ATOM 0 H LEU A 31 2.843 5.720 3.272 1.00 0.00 H new ATOM 0 HA LEU A 31 0.323 7.109 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.335 4.432 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.337 4.556 4.640 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.185 5.777 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.277 4.073 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.312 4.870 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.107 3.234 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.630 3.796 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.304 2.945 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.031 4.392 4.468 1.00 0.00 H new ATOM 462 N TYR A 32 1.583 6.080 6.138 1.00 0.00 N ATOM 463 CA TYR A 32 1.590 6.303 7.574 1.00 0.00 C ATOM 464 C TYR A 32 1.840 7.772 7.907 1.00 0.00 C ATOM 465 O TYR A 32 1.321 8.287 8.889 1.00 0.00 O ATOM 466 CB TYR A 32 2.665 5.414 8.205 1.00 0.00 C ATOM 467 CG TYR A 32 2.430 5.060 9.657 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.721 5.965 10.668 1.00 0.00 C ATOM 469 CD2 TYR A 32 1.937 3.811 10.014 1.00 0.00 C ATOM 470 CE1 TYR A 32 2.525 5.635 11.997 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.734 3.476 11.340 1.00 0.00 C ATOM 472 CZ TYR A 32 2.032 4.392 12.326 1.00 0.00 C ATOM 473 OH TYR A 32 1.836 4.059 13.647 1.00 0.00 O ATOM 0 H TYR A 32 2.182 5.313 5.832 1.00 0.00 H new ATOM 0 HA TYR A 32 0.612 6.044 7.980 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.737 4.492 7.629 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.628 5.918 8.121 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.106 6.941 10.413 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.709 3.090 9.243 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.758 6.349 12.773 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.345 2.503 11.601 1.00 0.00 H new ATOM 0 HH TYR A 32 1.483 3.147 13.705 1.00 0.00 H new ATOM 483 N ASN A 33 2.642 8.435 7.084 1.00 0.00 N ATOM 484 CA ASN A 33 2.970 9.844 7.292 1.00 0.00 C ATOM 485 C ASN A 33 1.752 10.737 7.085 1.00 0.00 C ATOM 486 O ASN A 33 1.563 11.713 7.809 1.00 0.00 O ATOM 487 CB ASN A 33 4.116 10.242 6.345 1.00 0.00 C ATOM 488 CG ASN A 33 4.058 11.688 5.880 1.00 0.00 C ATOM 489 OD1 ASN A 33 4.870 12.515 6.294 1.00 0.00 O ATOM 490 ND2 ASN A 33 3.099 11.998 5.013 1.00 0.00 N ATOM 0 H ASN A 33 3.080 8.020 6.262 1.00 0.00 H new ATOM 0 HA ASN A 33 3.292 9.982 8.324 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.067 10.071 6.850 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.096 9.589 5.472 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.016 12.953 4.665 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.447 11.281 4.696 1.00 0.00 H new ATOM 497 N HIS A 34 0.930 10.410 6.100 1.00 0.00 N ATOM 498 CA HIS A 34 -0.255 11.208 5.829 1.00 0.00 C ATOM 499 C HIS A 34 -1.212 11.164 7.010 1.00 0.00 C ATOM 500 O HIS A 34 -1.819 12.168 7.378 1.00 0.00 O ATOM 501 CB HIS A 34 -0.965 10.714 4.557 1.00 0.00 C ATOM 502 CG HIS A 34 -1.719 9.424 4.708 1.00 0.00 C ATOM 503 ND1 HIS A 34 -1.488 8.309 3.933 1.00 0.00 N ATOM 504 CD2 HIS A 34 -2.708 9.079 5.557 1.00 0.00 C ATOM 505 CE1 HIS A 34 -2.302 7.336 4.312 1.00 0.00 C ATOM 506 NE2 HIS A 34 -3.052 7.783 5.295 1.00 0.00 N ATOM 0 H HIS A 34 1.059 9.609 5.482 1.00 0.00 H new ATOM 0 HA HIS A 34 0.062 12.239 5.673 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.659 11.486 4.224 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.222 10.592 3.769 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -0.798 8.243 3.185 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.150 9.714 6.310 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.343 6.344 3.886 1.00 0.00 H new ATOM 515 N ILE A 35 -1.367 9.974 7.565 1.00 0.00 N ATOM 516 CA ILE A 35 -2.283 9.743 8.680 1.00 0.00 C ATOM 517 C ILE A 35 -1.605 9.776 10.059 1.00 0.00 C ATOM 518 O ILE A 35 -2.293 9.878 11.071 1.00 0.00 O ATOM 519 CB ILE A 35 -3.029 8.398 8.508 1.00 0.00 C ATOM 520 CG1 ILE A 35 -3.821 8.043 9.767 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.054 7.286 8.152 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.062 7.228 9.477 1.00 0.00 C ATOM 0 H ILE A 35 -0.865 9.140 7.260 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.989 10.573 8.652 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.738 8.508 7.687 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.178 7.485 10.448 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.108 8.961 10.279 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.598 6.349 8.035 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.548 7.531 7.218 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.316 7.181 8.947 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.580 7.009 10.411 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.723 7.793 8.820 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.779 6.294 8.991 1.00 0.00 H new ATOM 534 N VAL A 36 -0.279 9.664 10.123 1.00 0.00 N ATOM 535 CA VAL A 36 0.391 9.665 11.427 1.00 0.00 C ATOM 536 C VAL A 36 0.106 10.953 12.194 1.00 0.00 C ATOM 537 O VAL A 36 -0.309 10.913 13.351 1.00 0.00 O ATOM 538 CB VAL A 36 1.922 9.454 11.329 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.605 10.623 10.637 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.507 9.241 12.719 1.00 0.00 C ATOM 0 H VAL A 36 0.338 9.574 9.316 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.024 8.815 11.968 1.00 0.00 H new ATOM 0 HB VAL A 36 2.102 8.565 10.724 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.678 10.439 10.587 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.208 10.731 9.628 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.419 11.538 11.200 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.584 9.093 12.642 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.304 10.116 13.337 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.052 8.361 13.174 1.00 0.00 H new ATOM 550 N ALA A 37 0.325 12.092 11.545 1.00 0.00 N ATOM 551 CA ALA A 37 0.080 13.383 12.175 1.00 0.00 C ATOM 552 C ALA A 37 -1.415 13.654 12.284 1.00 0.00 C ATOM 553 O ALA A 37 -1.859 14.416 13.142 1.00 0.00 O ATOM 554 CB ALA A 37 0.762 14.492 11.390 1.00 0.00 C ATOM 0 H ALA A 37 0.670 12.147 10.587 1.00 0.00 H new ATOM 0 HA ALA A 37 0.498 13.358 13.181 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.570 15.450 11.873 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.836 14.309 11.360 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.369 14.513 10.373 1.00 0.00 H new ATOM 560 N ILE A 38 -2.189 13.031 11.400 1.00 0.00 N ATOM 561 CA ILE A 38 -3.639 13.216 11.393 1.00 0.00 C ATOM 562 C ILE A 38 -4.342 12.256 12.354 1.00 0.00 C ATOM 563 O ILE A 38 -4.896 12.680 13.367 1.00 0.00 O ATOM 564 CB ILE A 38 -4.217 13.035 9.978 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.377 13.821 8.969 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.667 13.489 9.934 1.00 0.00 C ATOM 567 CD1 ILE A 38 -3.287 15.297 9.282 1.00 0.00 C ATOM 0 H ILE A 38 -1.840 12.396 10.682 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.823 14.237 11.728 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.184 11.978 9.715 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.371 13.402 8.940 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.804 13.694 7.974 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.060 13.354 8.926 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.255 12.897 10.635 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.727 14.542 10.209 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.677 15.793 8.527 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.287 15.730 9.282 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.832 15.434 10.263 1.00 0.00 H new ATOM 579 N ASN A 39 -4.310 10.967 12.038 1.00 0.00 N ATOM 580 CA ASN A 39 -4.937 9.955 12.886 1.00 0.00 C ATOM 581 C ASN A 39 -3.918 8.899 13.311 1.00 0.00 C ATOM 582 O ASN A 39 -3.868 7.805 12.748 1.00 0.00 O ATOM 583 CB ASN A 39 -6.116 9.299 12.162 1.00 0.00 C ATOM 584 CG ASN A 39 -7.357 9.219 13.033 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.195 10.122 13.021 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.480 8.139 13.796 1.00 0.00 N ATOM 0 H ASN A 39 -3.858 10.596 11.202 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.314 10.449 13.782 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.345 9.865 11.259 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.832 8.295 11.846 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.293 8.033 14.403 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.762 7.415 13.775 1.00 0.00 H new ATOM 593 N PRO A 40 -3.087 9.220 14.319 1.00 0.00 N ATOM 594 CA PRO A 40 -2.061 8.301 14.822 1.00 0.00 C ATOM 595 C PRO A 40 -2.629 6.931 15.174 1.00 0.00 C ATOM 596 O PRO A 40 -2.081 5.900 14.783 1.00 0.00 O ATOM 597 CB PRO A 40 -1.540 8.992 16.082 1.00 0.00 C ATOM 598 CG PRO A 40 -1.855 10.436 15.900 1.00 0.00 C ATOM 599 CD PRO A 40 -3.086 10.505 15.040 1.00 0.00 C ATOM 0 HA PRO A 40 -1.292 8.112 14.073 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.021 8.594 16.976 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.468 8.836 16.201 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.028 10.919 16.862 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.023 10.957 15.427 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.987 10.626 15.641 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.046 11.349 14.352 1.00 0.00 H new ATOM 607 N ALA A 41 -3.730 6.927 15.918 1.00 0.00 N ATOM 608 CA ALA A 41 -4.372 5.682 16.329 1.00 0.00 C ATOM 609 C ALA A 41 -5.170 5.063 15.182 1.00 0.00 C ATOM 610 O ALA A 41 -6.303 4.618 15.365 1.00 0.00 O ATOM 611 CB ALA A 41 -5.264 5.926 17.538 1.00 0.00 C ATOM 0 H ALA A 41 -4.197 7.771 16.249 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.592 4.973 16.606 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.738 4.990 17.836 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.662 6.307 18.363 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.032 6.656 17.282 1.00 0.00 H new ATOM 617 N ALA A 42 -4.562 5.028 14.000 1.00 0.00 N ATOM 618 CA ALA A 42 -5.197 4.457 12.821 1.00 0.00 C ATOM 619 C ALA A 42 -4.148 4.088 11.778 1.00 0.00 C ATOM 620 O ALA A 42 -4.217 3.023 11.167 1.00 0.00 O ATOM 621 CB ALA A 42 -6.210 5.421 12.233 1.00 0.00 C ATOM 0 H ALA A 42 -3.623 5.392 13.835 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.723 3.551 13.123 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.671 4.972 11.353 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.979 5.638 12.975 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.709 6.346 11.948 1.00 0.00 H new ATOM 627 N ALA A 43 -3.177 4.985 11.586 1.00 0.00 N ATOM 628 CA ALA A 43 -2.096 4.774 10.622 1.00 0.00 C ATOM 629 C ALA A 43 -1.684 3.307 10.568 1.00 0.00 C ATOM 630 O ALA A 43 -1.596 2.715 9.492 1.00 0.00 O ATOM 631 CB ALA A 43 -0.900 5.644 10.975 1.00 0.00 C ATOM 0 H ALA A 43 -3.119 5.870 12.090 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.463 5.057 9.636 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.103 5.478 10.251 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.195 6.693 10.956 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.544 5.386 11.972 1.00 0.00 H new ATOM 637 N ALA A 44 -1.428 2.726 11.737 1.00 0.00 N ATOM 638 CA ALA A 44 -1.024 1.329 11.826 1.00 0.00 C ATOM 639 C ALA A 44 -2.011 0.417 11.102 1.00 0.00 C ATOM 640 O ALA A 44 -1.613 -0.519 10.408 1.00 0.00 O ATOM 641 CB ALA A 44 -0.882 0.911 13.284 1.00 0.00 C ATOM 0 H ALA A 44 -1.494 3.203 12.636 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.056 1.228 11.335 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.580 -0.135 13.335 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.127 1.531 13.768 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.837 1.038 13.794 1.00 0.00 H new ATOM 647 N LYS A 45 -3.298 0.698 11.268 1.00 0.00 N ATOM 648 CA LYS A 45 -4.342 -0.091 10.627 1.00 0.00 C ATOM 649 C LYS A 45 -4.450 0.254 9.148 1.00 0.00 C ATOM 650 O LYS A 45 -4.500 -0.628 8.293 1.00 0.00 O ATOM 651 CB LYS A 45 -5.689 0.161 11.308 1.00 0.00 C ATOM 652 CG LYS A 45 -5.787 -0.433 12.702 1.00 0.00 C ATOM 653 CD LYS A 45 -6.673 -1.670 12.720 1.00 0.00 C ATOM 654 CE LYS A 45 -6.266 -2.633 13.822 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.959 -3.992 13.293 1.00 0.00 N ATOM 0 H LYS A 45 -3.644 1.467 11.842 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.077 -1.144 10.725 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.861 1.236 11.367 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.483 -0.255 10.688 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.790 -0.693 13.059 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.187 0.313 13.389 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.712 -1.372 12.862 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.615 -2.174 11.755 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.392 -2.240 14.341 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.068 -2.703 14.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.686 -4.617 14.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.800 -4.379 12.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.176 -3.930 12.611 1.00 0.00 H new ATOM 669 N VAL A 46 -4.489 1.547 8.863 1.00 0.00 N ATOM 670 CA VAL A 46 -4.598 2.033 7.494 1.00 0.00 C ATOM 671 C VAL A 46 -3.407 1.604 6.646 1.00 0.00 C ATOM 672 O VAL A 46 -3.576 1.004 5.588 1.00 0.00 O ATOM 673 CB VAL A 46 -4.702 3.567 7.464 1.00 0.00 C ATOM 674 CG1 VAL A 46 -5.109 4.048 6.081 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.682 4.059 8.518 1.00 0.00 C ATOM 0 H VAL A 46 -4.446 2.284 9.567 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.504 1.594 7.076 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.721 3.982 7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.177 5.136 6.080 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.364 3.730 5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.078 3.623 5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.741 5.147 8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.667 3.635 8.325 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.341 3.748 9.505 1.00 0.00 H new ATOM 685 N THR A 47 -2.208 1.926 7.110 1.00 0.00 N ATOM 686 CA THR A 47 -0.984 1.584 6.390 1.00 0.00 C ATOM 687 C THR A 47 -0.885 0.082 6.134 1.00 0.00 C ATOM 688 O THR A 47 -0.648 -0.351 5.007 1.00 0.00 O ATOM 689 CB THR A 47 0.236 2.054 7.181 1.00 0.00 C ATOM 690 OG1 THR A 47 0.118 3.425 7.517 1.00 0.00 O ATOM 691 CG2 THR A 47 1.541 1.871 6.437 1.00 0.00 C ATOM 0 H THR A 47 -2.054 2.426 7.986 1.00 0.00 H new ATOM 0 HA THR A 47 -1.013 2.090 5.425 1.00 0.00 H new ATOM 0 HB THR A 47 0.258 1.430 8.074 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.459 3.521 8.303 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.365 2.225 7.056 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.685 0.815 6.210 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.514 2.441 5.508 1.00 0.00 H new ATOM 699 N GLY A 48 -1.043 -0.706 7.192 1.00 0.00 N ATOM 700 CA GLY A 48 -0.942 -2.147 7.067 1.00 0.00 C ATOM 701 C GLY A 48 -2.102 -2.753 6.315 1.00 0.00 C ATOM 702 O GLY A 48 -1.909 -3.455 5.321 1.00 0.00 O ATOM 0 H GLY A 48 -1.240 -0.371 8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.013 -2.398 6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.889 -2.590 8.061 1.00 0.00 H new ATOM 706 N MET A 49 -3.311 -2.481 6.783 1.00 0.00 N ATOM 707 CA MET A 49 -4.503 -3.004 6.138 1.00 0.00 C ATOM 708 C MET A 49 -4.657 -2.405 4.749 1.00 0.00 C ATOM 709 O MET A 49 -4.860 -3.135 3.783 1.00 0.00 O ATOM 710 CB MET A 49 -5.748 -2.701 6.974 1.00 0.00 C ATOM 711 CG MET A 49 -5.648 -3.174 8.414 1.00 0.00 C ATOM 712 SD MET A 49 -5.649 -4.970 8.554 1.00 0.00 S ATOM 713 CE MET A 49 -3.953 -5.271 9.047 1.00 0.00 C ATOM 0 H MET A 49 -3.491 -1.903 7.604 1.00 0.00 H new ATOM 0 HA MET A 49 -4.396 -4.085 6.051 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.927 -1.626 6.966 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.612 -3.172 6.506 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.735 -2.779 8.860 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.483 -2.768 8.985 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.796 -6.342 9.174 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.278 -4.894 8.278 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.752 -4.760 9.989 1.00 0.00 H new ATOM 723 N LEU A 50 -4.583 -1.070 4.682 1.00 0.00 N ATOM 724 CA LEU A 50 -4.736 -0.303 3.432 1.00 0.00 C ATOM 725 C LEU A 50 -5.509 -1.059 2.352 1.00 0.00 C ATOM 726 O LEU A 50 -6.618 -0.668 1.987 1.00 0.00 O ATOM 727 CB LEU A 50 -3.372 0.097 2.879 1.00 0.00 C ATOM 728 CG LEU A 50 -3.427 0.927 1.591 1.00 0.00 C ATOM 729 CD1 LEU A 50 -4.185 2.235 1.821 1.00 0.00 C ATOM 730 CD2 LEU A 50 -2.023 1.194 1.070 1.00 0.00 C ATOM 0 H LEU A 50 -4.414 -0.483 5.499 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.315 0.583 3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.838 0.666 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.792 -0.806 2.690 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.967 0.356 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.212 2.808 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.203 2.014 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.681 2.817 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.080 1.784 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.454 1.743 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.527 0.247 0.860 1.00 0.00 H new ATOM 742 N LEU A 51 -4.922 -2.135 1.846 1.00 0.00 N ATOM 743 CA LEU A 51 -5.552 -2.936 0.809 1.00 0.00 C ATOM 744 C LEU A 51 -6.756 -3.697 1.354 1.00 0.00 C ATOM 745 O LEU A 51 -6.758 -4.926 1.402 1.00 0.00 O ATOM 746 CB LEU A 51 -4.530 -3.903 0.203 1.00 0.00 C ATOM 747 CG LEU A 51 -3.124 -3.320 0.017 1.00 0.00 C ATOM 748 CD1 LEU A 51 -2.164 -3.882 1.055 1.00 0.00 C ATOM 749 CD2 LEU A 51 -2.609 -3.595 -1.390 1.00 0.00 C ATOM 0 H LEU A 51 -4.006 -2.473 2.140 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.912 -2.266 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.461 -4.784 0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.899 -4.240 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.184 -2.241 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.173 -3.454 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.519 -3.629 2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.111 -4.966 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.610 -3.173 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.569 -4.671 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.279 -3.138 -2.118 1.00 0.00 H new ATOM 761 N GLU A 52 -7.788 -2.955 1.755 1.00 0.00 N ATOM 762 CA GLU A 52 -9.004 -3.555 2.285 1.00 0.00 C ATOM 763 C GLU A 52 -9.974 -3.870 1.152 1.00 0.00 C ATOM 764 O GLU A 52 -9.713 -3.550 -0.008 1.00 0.00 O ATOM 765 CB GLU A 52 -9.675 -2.611 3.288 1.00 0.00 C ATOM 766 CG GLU A 52 -9.073 -2.666 4.681 1.00 0.00 C ATOM 767 CD GLU A 52 -9.369 -3.970 5.396 1.00 0.00 C ATOM 768 OE1 GLU A 52 -8.870 -5.022 4.944 1.00 0.00 O ATOM 769 OE2 GLU A 52 -10.100 -3.940 6.409 1.00 0.00 O ATOM 0 H GLU A 52 -7.802 -1.936 1.721 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.735 -4.480 2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.606 -1.590 2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.735 -2.857 3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.994 -2.532 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.460 -1.836 5.272 1.00 0.00 H new ATOM 776 N MET A 53 -11.086 -4.509 1.489 1.00 0.00 N ATOM 777 CA MET A 53 -12.079 -4.873 0.488 1.00 0.00 C ATOM 778 C MET A 53 -12.679 -3.636 -0.183 1.00 0.00 C ATOM 779 O MET A 53 -12.552 -3.460 -1.393 1.00 0.00 O ATOM 780 CB MET A 53 -13.189 -5.709 1.129 1.00 0.00 C ATOM 781 CG MET A 53 -12.740 -7.099 1.551 1.00 0.00 C ATOM 782 SD MET A 53 -12.027 -8.045 0.189 1.00 0.00 S ATOM 783 CE MET A 53 -13.236 -7.753 -1.099 1.00 0.00 C ATOM 0 H MET A 53 -11.322 -4.785 2.442 1.00 0.00 H new ATOM 0 HA MET A 53 -11.578 -5.462 -0.280 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.572 -5.180 2.001 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.015 -5.802 0.424 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.005 -7.011 2.351 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.592 -7.643 1.959 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.122 -8.503 -1.882 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.239 -7.817 -0.678 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.084 -6.760 -1.523 1.00 0.00 H new ATOM 793 N ASP A 54 -13.326 -2.783 0.602 1.00 0.00 N ATOM 794 CA ASP A 54 -13.938 -1.572 0.063 1.00 0.00 C ATOM 795 C ASP A 54 -12.992 -0.384 0.167 1.00 0.00 C ATOM 796 O ASP A 54 -12.445 0.072 -0.835 1.00 0.00 O ATOM 797 CB ASP A 54 -15.248 -1.276 0.794 1.00 0.00 C ATOM 798 CG ASP A 54 -15.879 0.037 0.366 1.00 0.00 C ATOM 799 OD1 ASP A 54 -16.603 0.047 -0.652 1.00 0.00 O ATOM 800 OD2 ASP A 54 -15.649 1.056 1.051 1.00 0.00 O ATOM 0 H ASP A 54 -13.441 -2.905 1.608 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.150 -1.739 -0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.952 -2.088 0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.062 -1.251 1.868 1.00 0.00 H new ATOM 805 N ASN A 55 -12.799 0.113 1.386 1.00 0.00 N ATOM 806 CA ASN A 55 -11.909 1.251 1.615 1.00 0.00 C ATOM 807 C ASN A 55 -10.596 1.062 0.866 1.00 0.00 C ATOM 808 O ASN A 55 -9.953 2.031 0.460 1.00 0.00 O ATOM 809 CB ASN A 55 -11.628 1.412 3.108 1.00 0.00 C ATOM 810 CG ASN A 55 -11.052 2.774 3.440 1.00 0.00 C ATOM 811 OD1 ASN A 55 -11.789 3.719 3.721 1.00 0.00 O ATOM 812 ND2 ASN A 55 -9.729 2.877 3.415 1.00 0.00 N ATOM 0 H ASN A 55 -13.244 -0.252 2.228 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.402 2.149 1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.552 1.264 3.668 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.932 0.637 3.430 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.283 3.767 3.635 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.159 2.066 3.176 1.00 0.00 H new ATOM 819 N GLY A 56 -10.207 -0.195 0.689 1.00 0.00 N ATOM 820 CA GLY A 56 -8.976 -0.502 -0.006 1.00 0.00 C ATOM 821 C GLY A 56 -9.025 -0.144 -1.478 1.00 0.00 C ATOM 822 O GLY A 56 -8.190 0.624 -1.953 1.00 0.00 O ATOM 0 H GLY A 56 -10.727 -1.009 1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.154 0.036 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.762 -1.566 0.097 1.00 0.00 H new ATOM 826 N GLU A 57 -9.984 -0.710 -2.212 1.00 0.00 N ATOM 827 CA GLU A 57 -10.099 -0.439 -3.650 1.00 0.00 C ATOM 828 C GLU A 57 -9.757 1.009 -3.988 1.00 0.00 C ATOM 829 O GLU A 57 -8.941 1.275 -4.869 1.00 0.00 O ATOM 830 CB GLU A 57 -11.502 -0.748 -4.146 1.00 0.00 C ATOM 831 CG GLU A 57 -11.945 -2.169 -3.859 1.00 0.00 C ATOM 832 CD GLU A 57 -11.124 -3.206 -4.603 1.00 0.00 C ATOM 833 OE1 GLU A 57 -10.242 -2.812 -5.395 1.00 0.00 O ATOM 834 OE2 GLU A 57 -11.363 -4.413 -4.395 1.00 0.00 O ATOM 0 H GLU A 57 -10.686 -1.352 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.381 -1.089 -4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.204 -0.056 -3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.546 -0.572 -5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.874 -2.357 -2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.994 -2.279 -4.133 1.00 0.00 H new ATOM 841 N ILE A 58 -10.388 1.938 -3.282 1.00 0.00 N ATOM 842 CA ILE A 58 -10.151 3.359 -3.500 1.00 0.00 C ATOM 843 C ILE A 58 -8.662 3.679 -3.398 1.00 0.00 C ATOM 844 O ILE A 58 -8.112 4.405 -4.226 1.00 0.00 O ATOM 845 CB ILE A 58 -10.945 4.205 -2.480 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.447 4.012 -2.697 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.579 5.683 -2.579 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.299 4.598 -1.593 1.00 0.00 C ATOM 0 H ILE A 58 -11.070 1.732 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.493 3.609 -4.504 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.682 3.864 -1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.730 4.470 -3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.659 2.946 -2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.155 6.250 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.515 5.809 -2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.805 6.047 -3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.352 4.423 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.044 4.123 -0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.116 5.670 -1.522 1.00 0.00 H new ATOM 860 N LEU A 59 -8.021 3.130 -2.367 1.00 0.00 N ATOM 861 CA LEU A 59 -6.597 3.345 -2.129 1.00 0.00 C ATOM 862 C LEU A 59 -5.792 3.327 -3.428 1.00 0.00 C ATOM 863 O LEU A 59 -4.813 4.060 -3.575 1.00 0.00 O ATOM 864 CB LEU A 59 -6.068 2.276 -1.173 1.00 0.00 C ATOM 865 CG LEU A 59 -5.570 0.990 -1.840 1.00 0.00 C ATOM 866 CD1 LEU A 59 -4.120 1.139 -2.277 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.727 -0.184 -0.893 1.00 0.00 C ATOM 0 H LEU A 59 -8.472 2.528 -1.678 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.479 4.333 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.251 2.704 -0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.859 2.018 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.173 0.802 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.785 0.215 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.037 1.960 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.498 1.349 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.370 -1.093 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.146 -0.002 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.778 -0.302 -0.631 1.00 0.00 H new ATOM 879 N ASN A 60 -6.210 2.480 -4.361 1.00 0.00 N ATOM 880 CA ASN A 60 -5.527 2.356 -5.648 1.00 0.00 C ATOM 881 C ASN A 60 -5.265 3.723 -6.282 1.00 0.00 C ATOM 882 O ASN A 60 -4.371 3.865 -7.117 1.00 0.00 O ATOM 883 CB ASN A 60 -6.352 1.490 -6.602 1.00 0.00 C ATOM 884 CG ASN A 60 -5.502 0.476 -7.343 1.00 0.00 C ATOM 885 OD1 ASN A 60 -4.530 0.833 -8.010 1.00 0.00 O ATOM 886 ND2 ASN A 60 -5.868 -0.796 -7.234 1.00 0.00 N ATOM 0 H ASN A 60 -7.019 1.868 -4.253 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.564 1.880 -5.466 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.126 0.969 -6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.860 2.131 -7.323 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.337 -1.522 -7.714 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.680 -1.046 -6.670 1.00 0.00 H new ATOM 893 N LEU A 61 -6.049 4.726 -5.891 1.00 0.00 N ATOM 894 CA LEU A 61 -5.893 6.071 -6.437 1.00 0.00 C ATOM 895 C LEU A 61 -5.557 7.088 -5.349 1.00 0.00 C ATOM 896 O LEU A 61 -6.243 8.101 -5.209 1.00 0.00 O ATOM 897 CB LEU A 61 -7.174 6.493 -7.160 1.00 0.00 C ATOM 898 CG LEU A 61 -7.528 5.652 -8.386 1.00 0.00 C ATOM 899 CD1 LEU A 61 -8.836 4.906 -8.164 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.610 6.522 -9.634 1.00 0.00 C ATOM 0 H LEU A 61 -6.795 4.633 -5.202 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.062 6.047 -7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.004 6.448 -6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.074 7.534 -7.468 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.736 4.918 -8.536 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.071 4.313 -9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.737 4.248 -7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.637 5.622 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.863 5.902 -10.494 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.378 7.283 -9.497 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.648 7.004 -9.805 1.00 0.00 H new ATOM 912 N LEU A 62 -4.506 6.807 -4.577 1.00 0.00 N ATOM 913 CA LEU A 62 -4.064 7.685 -3.483 1.00 0.00 C ATOM 914 C LEU A 62 -4.405 9.155 -3.750 1.00 0.00 C ATOM 915 O LEU A 62 -3.624 9.886 -4.358 1.00 0.00 O ATOM 916 CB LEU A 62 -2.557 7.530 -3.269 1.00 0.00 C ATOM 917 CG LEU A 62 -2.110 6.131 -2.850 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.772 5.783 -3.486 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.028 6.026 -1.333 1.00 0.00 C ATOM 0 H LEU A 62 -3.936 5.968 -4.689 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.599 7.383 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.044 7.799 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.237 8.242 -2.508 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.852 5.414 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.471 4.783 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.866 5.813 -4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.019 6.504 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.708 5.022 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.309 6.754 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.008 6.227 -0.901 1.00 0.00 H new ATOM 931 N ASP A 63 -5.589 9.566 -3.297 1.00 0.00 N ATOM 932 CA ASP A 63 -6.057 10.936 -3.492 1.00 0.00 C ATOM 933 C ASP A 63 -6.141 11.691 -2.167 1.00 0.00 C ATOM 934 O ASP A 63 -6.001 11.108 -1.099 1.00 0.00 O ATOM 935 CB ASP A 63 -7.426 10.925 -4.175 1.00 0.00 C ATOM 936 CG ASP A 63 -7.353 11.337 -5.632 1.00 0.00 C ATOM 937 OD1 ASP A 63 -6.231 11.401 -6.176 1.00 0.00 O ATOM 938 OD2 ASP A 63 -8.419 11.594 -6.230 1.00 0.00 O ATOM 0 H ASP A 63 -6.242 8.968 -2.791 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.337 11.452 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.855 9.925 -4.105 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.099 11.599 -3.644 1.00 0.00 H new ATOM 943 N THR A 64 -6.376 12.994 -2.244 1.00 0.00 N ATOM 944 CA THR A 64 -6.480 13.813 -1.043 1.00 0.00 C ATOM 945 C THR A 64 -7.805 13.565 -0.328 1.00 0.00 C ATOM 946 O THR A 64 -7.822 13.230 0.850 1.00 0.00 O ATOM 947 CB THR A 64 -6.336 15.298 -1.383 1.00 0.00 C ATOM 948 OG1 THR A 64 -6.125 15.480 -2.772 1.00 0.00 O ATOM 949 CG2 THR A 64 -5.190 15.963 -0.653 1.00 0.00 C ATOM 0 H THR A 64 -6.498 13.504 -3.119 1.00 0.00 H new ATOM 0 HA THR A 64 -5.667 13.529 -0.375 1.00 0.00 H new ATOM 0 HB THR A 64 -7.270 15.761 -1.066 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.037 16.436 -2.967 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.140 17.014 -0.936 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.349 15.884 0.422 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.255 15.471 -0.919 1.00 0.00 H new ATOM 957 N PRO A 65 -8.940 13.718 -1.029 1.00 0.00 N ATOM 958 CA PRO A 65 -10.254 13.498 -0.428 1.00 0.00 C ATOM 959 C PRO A 65 -10.507 12.026 -0.118 1.00 0.00 C ATOM 960 O PRO A 65 -10.597 11.633 1.046 1.00 0.00 O ATOM 961 CB PRO A 65 -11.237 14.007 -1.486 1.00 0.00 C ATOM 962 CG PRO A 65 -10.488 13.986 -2.778 1.00 0.00 C ATOM 963 CD PRO A 65 -9.025 14.112 -2.446 1.00 0.00 C ATOM 0 HA PRO A 65 -10.351 14.011 0.529 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.122 13.372 -1.536 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.580 15.014 -1.249 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.681 13.060 -3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.808 14.805 -3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.416 13.464 -3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.669 15.131 -2.598 1.00 0.00 H new ATOM 971 N GLY A 66 -10.631 11.219 -1.166 1.00 0.00 N ATOM 972 CA GLY A 66 -10.882 9.799 -0.996 1.00 0.00 C ATOM 973 C GLY A 66 -9.982 9.154 0.041 1.00 0.00 C ATOM 974 O GLY A 66 -10.456 8.689 1.077 1.00 0.00 O ATOM 0 H GLY A 66 -10.562 11.525 -2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.923 9.652 -0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.743 9.295 -1.952 1.00 0.00 H new ATOM 978 N LEU A 67 -8.681 9.118 -0.237 1.00 0.00 N ATOM 979 CA LEU A 67 -7.717 8.519 0.679 1.00 0.00 C ATOM 980 C LEU A 67 -7.900 9.045 2.101 1.00 0.00 C ATOM 981 O LEU A 67 -8.363 8.319 2.979 1.00 0.00 O ATOM 982 CB LEU A 67 -6.300 8.822 0.189 1.00 0.00 C ATOM 983 CG LEU A 67 -5.401 7.611 -0.059 1.00 0.00 C ATOM 984 CD1 LEU A 67 -4.774 7.135 1.239 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.182 6.488 -0.725 1.00 0.00 C ATOM 0 H LEU A 67 -8.271 9.497 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.882 7.442 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.372 9.391 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.814 9.466 0.922 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.600 7.913 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.138 6.272 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.174 7.937 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.559 6.853 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.523 5.636 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.008 6.187 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.576 6.835 -1.680 1.00 0.00 H new ATOM 997 N LEU A 68 -7.531 10.308 2.321 1.00 0.00 N ATOM 998 CA LEU A 68 -7.640 10.925 3.650 1.00 0.00 C ATOM 999 C LEU A 68 -8.971 10.602 4.318 1.00 0.00 C ATOM 1000 O LEU A 68 -9.005 10.176 5.473 1.00 0.00 O ATOM 1001 CB LEU A 68 -7.449 12.442 3.567 1.00 0.00 C ATOM 1002 CG LEU A 68 -6.102 12.958 4.088 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.950 12.161 3.490 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -5.944 14.437 3.772 1.00 0.00 C ATOM 0 H LEU A 68 -7.155 10.924 1.601 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.845 10.502 4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.561 12.750 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.248 12.924 4.130 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.081 12.828 5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.005 12.544 3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.053 11.111 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.966 12.256 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.983 14.789 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.988 14.585 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.748 14.999 4.248 1.00 0.00 H new ATOM 1016 N ASP A 69 -10.067 10.790 3.594 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.382 10.495 4.144 1.00 0.00 C ATOM 1018 C ASP A 69 -11.471 9.018 4.510 1.00 0.00 C ATOM 1019 O ASP A 69 -11.829 8.662 5.630 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.477 10.866 3.142 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.848 10.945 3.788 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -14.084 10.211 4.770 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.684 11.741 3.312 1.00 0.00 O ATOM 0 H ASP A 69 -10.072 11.141 2.636 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.529 11.090 5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.238 11.826 2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.498 10.128 2.340 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.138 8.164 3.551 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.176 6.717 3.754 1.00 0.00 C ATOM 1030 C ALA A 70 -10.075 6.231 4.700 1.00 0.00 C ATOM 1031 O ALA A 70 -10.024 5.047 5.034 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.066 6.003 2.416 1.00 0.00 C ATOM 0 H ALA A 70 -10.837 8.448 2.619 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.131 6.480 4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.095 4.925 2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.898 6.298 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.126 6.274 1.935 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.190 7.133 5.127 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.101 6.761 6.028 1.00 0.00 C ATOM 1040 C LYS A 71 -8.593 6.578 7.459 1.00 0.00 C ATOM 1041 O LYS A 71 -8.374 5.533 8.073 1.00 0.00 O ATOM 1042 CB LYS A 71 -6.997 7.823 6.014 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.210 7.899 4.714 1.00 0.00 C ATOM 1044 CD LYS A 71 -5.504 6.593 4.393 1.00 0.00 C ATOM 1045 CE LYS A 71 -6.428 5.598 3.702 1.00 0.00 C ATOM 1046 NZ LYS A 71 -5.679 4.649 2.835 1.00 0.00 N ATOM 0 H LYS A 71 -9.206 8.119 4.865 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.703 5.812 5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.445 8.797 6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.305 7.620 6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.885 8.155 3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.474 8.700 4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.644 6.794 3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.121 6.153 5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.986 5.039 4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.158 6.139 3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.960 4.789 1.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.658 4.821 2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.895 3.673 3.121 1.00 0.00 H new ATOM 1060 N VAL A 72 -9.240 7.606 7.989 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.741 7.568 9.356 1.00 0.00 C ATOM 1062 C VAL A 72 -11.009 6.726 9.476 1.00 0.00 C ATOM 1063 O VAL A 72 -11.151 5.940 10.412 1.00 0.00 O ATOM 1064 CB VAL A 72 -10.019 8.987 9.881 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -8.732 9.794 9.928 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -11.061 9.685 9.019 1.00 0.00 C ATOM 0 H VAL A 72 -9.431 8.477 7.493 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.962 7.105 9.962 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.415 8.909 10.894 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.944 10.796 10.301 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.019 9.303 10.590 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.309 9.862 8.926 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -11.243 10.687 9.408 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.698 9.754 7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.990 9.115 9.037 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.933 6.903 8.539 1.00 0.00 N ATOM 1077 CA GLN A 73 -13.193 6.164 8.561 1.00 0.00 C ATOM 1078 C GLN A 73 -12.962 4.661 8.679 1.00 0.00 C ATOM 1079 O GLN A 73 -13.486 4.017 9.587 1.00 0.00 O ATOM 1080 CB GLN A 73 -14.002 6.469 7.300 1.00 0.00 C ATOM 1081 CG GLN A 73 -14.339 7.942 7.137 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.942 8.546 8.389 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -15.712 7.897 9.098 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -14.595 9.798 8.667 1.00 0.00 N ATOM 0 H GLN A 73 -11.836 7.549 7.756 1.00 0.00 H new ATOM 0 HA GLN A 73 -13.752 6.487 9.440 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.440 6.134 6.428 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.927 5.893 7.323 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.435 8.490 6.873 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.037 8.061 6.308 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.954 10.298 8.051 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.970 10.259 9.496 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.181 4.106 7.761 1.00 0.00 N ATOM 1094 CA GLU A 74 -11.893 2.677 7.764 1.00 0.00 C ATOM 1095 C GLU A 74 -11.148 2.262 9.031 1.00 0.00 C ATOM 1096 O GLU A 74 -11.480 1.252 9.651 1.00 0.00 O ATOM 1097 CB GLU A 74 -11.077 2.305 6.526 1.00 0.00 C ATOM 1098 CG GLU A 74 -10.592 0.862 6.508 1.00 0.00 C ATOM 1099 CD GLU A 74 -9.119 0.746 6.159 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -8.738 1.162 5.046 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -8.349 0.237 7.001 1.00 0.00 O ATOM 0 H GLU A 74 -11.735 4.624 7.004 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.842 2.141 7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.683 2.484 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.214 2.967 6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.767 0.412 7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.179 0.294 5.786 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.143 3.040 9.411 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.360 2.740 10.603 1.00 0.00 C ATOM 1110 C ALA A 75 -10.207 2.872 11.865 1.00 0.00 C ATOM 1111 O ALA A 75 -9.994 2.159 12.845 1.00 0.00 O ATOM 1112 CB ALA A 75 -8.145 3.648 10.680 1.00 0.00 C ATOM 0 H ALA A 75 -9.851 3.881 8.913 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.020 1.707 10.533 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.570 3.412 11.576 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.522 3.497 9.799 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.470 4.688 10.721 1.00 0.00 H new ATOM 1118 N LEU A 76 -11.168 3.786 11.837 1.00 0.00 N ATOM 1119 CA LEU A 76 -12.044 4.002 12.982 1.00 0.00 C ATOM 1120 C LEU A 76 -13.188 2.990 12.980 1.00 0.00 C ATOM 1121 O LEU A 76 -13.668 2.582 14.036 1.00 0.00 O ATOM 1122 CB LEU A 76 -12.589 5.430 12.977 1.00 0.00 C ATOM 1123 CG LEU A 76 -11.570 6.510 13.338 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -12.212 7.889 13.306 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.961 6.236 14.709 1.00 0.00 C ATOM 0 H LEU A 76 -11.361 4.388 11.037 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.462 3.860 13.893 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.990 5.646 11.987 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.422 5.488 13.678 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.772 6.487 12.596 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.469 8.643 13.566 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -12.596 8.088 12.306 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.032 7.925 14.023 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.238 7.016 14.948 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.749 6.228 15.462 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.460 5.268 14.698 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.608 2.583 11.787 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.683 1.607 11.652 1.00 0.00 C ATOM 1139 C GLU A 77 -14.241 0.258 12.204 1.00 0.00 C ATOM 1140 O GLU A 77 -14.960 -0.379 12.973 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.087 1.453 10.183 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.587 1.347 9.968 1.00 0.00 C ATOM 1143 CD GLU A 77 -16.943 1.013 8.532 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -16.130 1.318 7.633 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -18.034 0.448 8.306 1.00 0.00 O ATOM 0 H GLU A 77 -13.222 2.913 10.902 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.542 1.964 12.220 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.708 2.306 9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.607 0.563 9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.993 0.580 10.628 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.059 2.289 10.247 1.00 0.00 H new ATOM 1152 N VAL A 78 -13.048 -0.171 11.801 1.00 0.00 N ATOM 1153 CA VAL A 78 -12.502 -1.442 12.250 1.00 0.00 C ATOM 1154 C VAL A 78 -12.404 -1.493 13.772 1.00 0.00 C ATOM 1155 O VAL A 78 -12.590 -2.548 14.378 1.00 0.00 O ATOM 1156 CB VAL A 78 -11.120 -1.716 11.627 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -10.117 -0.654 12.046 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -10.628 -3.105 12.000 1.00 0.00 C ATOM 0 H VAL A 78 -12.443 0.346 11.163 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.189 -2.219 11.917 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.221 -1.673 10.543 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.149 -0.869 11.594 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.463 0.325 11.714 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.018 -0.655 13.132 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.651 -3.278 11.550 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.547 -3.183 13.084 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.333 -3.851 11.634 1.00 0.00 H new ATOM 1168 N LEU A 79 -12.132 -0.344 14.393 1.00 0.00 N ATOM 1169 CA LEU A 79 -12.041 -0.278 15.849 1.00 0.00 C ATOM 1170 C LEU A 79 -13.392 -0.618 16.468 1.00 0.00 C ATOM 1171 O LEU A 79 -13.522 -1.596 17.203 1.00 0.00 O ATOM 1172 CB LEU A 79 -11.589 1.114 16.305 1.00 0.00 C ATOM 1173 CG LEU A 79 -11.072 1.187 17.746 1.00 0.00 C ATOM 1174 CD1 LEU A 79 -9.804 0.364 17.903 1.00 0.00 C ATOM 1175 CD2 LEU A 79 -10.823 2.634 18.153 1.00 0.00 C ATOM 0 H LEU A 79 -11.973 0.543 13.915 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.299 -1.004 16.182 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.803 1.462 15.635 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.426 1.804 16.200 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.835 0.771 18.404 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.453 0.429 18.933 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.013 -0.677 17.656 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.035 0.749 17.233 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.456 2.665 19.179 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.081 3.076 17.489 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.754 3.197 18.083 1.00 0.00 H new ATOM 1187 N ASN A 80 -14.400 0.192 16.147 1.00 0.00 N ATOM 1188 CA ASN A 80 -15.753 -0.024 16.651 1.00 0.00 C ATOM 1189 C ASN A 80 -16.491 -1.086 15.835 1.00 0.00 C ATOM 1190 O ASN A 80 -17.707 -1.233 15.961 1.00 0.00 O ATOM 1191 CB ASN A 80 -16.545 1.285 16.633 1.00 0.00 C ATOM 1192 CG ASN A 80 -16.307 2.122 17.874 1.00 0.00 C ATOM 1193 OD1 ASN A 80 -16.837 1.827 18.947 1.00 0.00 O ATOM 1194 ND2 ASN A 80 -15.513 3.176 17.734 1.00 0.00 N ATOM 0 H ASN A 80 -14.303 1.005 15.539 1.00 0.00 H new ATOM 0 HA ASN A 80 -15.668 -0.380 17.678 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -16.268 1.862 15.751 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -17.608 1.062 16.547 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -15.320 3.779 18.534 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -15.095 3.383 16.827 1.00 0.00 H new ATOM 1201 N ARG A 81 -15.760 -1.835 15.009 1.00 0.00 N ATOM 1202 CA ARG A 81 -16.367 -2.884 14.199 1.00 0.00 C ATOM 1203 C ARG A 81 -16.658 -4.122 15.045 1.00 0.00 C ATOM 1204 O ARG A 81 -16.815 -5.223 14.520 1.00 0.00 O ATOM 1205 CB ARG A 81 -15.451 -3.252 13.031 1.00 0.00 C ATOM 1206 CG ARG A 81 -15.976 -2.794 11.680 1.00 0.00 C ATOM 1207 CD ARG A 81 -17.012 -3.760 11.126 1.00 0.00 C ATOM 1208 NE ARG A 81 -16.454 -4.618 10.082 1.00 0.00 N ATOM 1209 CZ ARG A 81 -15.998 -5.853 10.293 1.00 0.00 C ATOM 1210 NH1 ARG A 81 -16.027 -6.385 11.510 1.00 0.00 N ATOM 1211 NH2 ARG A 81 -15.511 -6.559 9.284 1.00 0.00 N ATOM 0 H ARG A 81 -14.753 -1.734 14.886 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.310 -2.505 13.804 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.468 -2.812 13.198 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.317 -4.334 13.012 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.418 -1.802 11.778 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.147 -2.706 10.978 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.401 -4.379 11.935 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.854 -3.197 10.722 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.411 -4.248 9.132 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.400 -5.848 12.293 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -15.676 -7.331 11.662 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -15.485 -6.158 8.347 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.162 -7.504 9.444 1.00 0.00 H new ATOM 1225 N HIS A 82 -16.726 -3.929 16.359 1.00 0.00 N ATOM 1226 CA HIS A 82 -16.994 -5.014 17.287 1.00 0.00 C ATOM 1227 C HIS A 82 -18.457 -5.441 17.212 1.00 0.00 C ATOM 1228 O HIS A 82 -18.765 -6.631 17.164 1.00 0.00 O ATOM 1229 CB HIS A 82 -16.642 -4.567 18.706 1.00 0.00 C ATOM 1230 CG HIS A 82 -15.561 -5.386 19.336 1.00 0.00 C ATOM 1231 ND1 HIS A 82 -15.760 -6.155 20.463 1.00 0.00 N ATOM 1232 CD2 HIS A 82 -14.263 -5.560 18.990 1.00 0.00 C ATOM 1233 CE1 HIS A 82 -14.633 -6.766 20.782 1.00 0.00 C ATOM 1234 NE2 HIS A 82 -13.710 -6.423 19.904 1.00 0.00 N ATOM 0 H HIS A 82 -16.597 -3.021 16.805 1.00 0.00 H new ATOM 0 HA HIS A 82 -16.379 -5.872 17.016 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -16.330 -3.523 18.683 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -17.536 -4.619 19.328 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -13.757 -5.105 18.151 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -14.491 -7.433 21.619 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -12.743 -6.746 19.904 1.00 0.00 H new ATOM 1243 N MET A 83 -19.353 -4.459 17.203 1.00 0.00 N ATOM 1244 CA MET A 83 -20.783 -4.728 17.133 1.00 0.00 C ATOM 1245 C MET A 83 -21.197 -5.107 15.713 1.00 0.00 C ATOM 1246 O MET A 83 -20.631 -4.612 14.738 1.00 0.00 O ATOM 1247 CB MET A 83 -21.575 -3.504 17.601 1.00 0.00 C ATOM 1248 CG MET A 83 -22.385 -3.750 18.862 1.00 0.00 C ATOM 1249 SD MET A 83 -23.722 -2.559 19.073 1.00 0.00 S ATOM 1250 CE MET A 83 -22.803 -1.103 19.565 1.00 0.00 C ATOM 0 H MET A 83 -19.112 -3.469 17.243 1.00 0.00 H new ATOM 0 HA MET A 83 -21.004 -5.568 17.791 1.00 0.00 H new ATOM 0 HB2 MET A 83 -20.884 -2.680 17.778 1.00 0.00 H new ATOM 0 HB3 MET A 83 -22.247 -3.190 16.803 1.00 0.00 H new ATOM 0 HG2 MET A 83 -22.802 -4.757 18.830 1.00 0.00 H new ATOM 0 HG3 MET A 83 -21.724 -3.706 19.728 1.00 0.00 H new ATOM 0 HE1 MET A 83 -23.493 -0.277 19.733 1.00 0.00 H new ATOM 0 HE2 MET A 83 -22.256 -1.312 20.484 1.00 0.00 H new ATOM 0 HE3 MET A 83 -22.099 -0.833 18.777 1.00 0.00 H new ATOM 1260 N ASN A 84 -22.189 -5.986 15.606 1.00 0.00 N ATOM 1261 CA ASN A 84 -22.681 -6.432 14.308 1.00 0.00 C ATOM 1262 C ASN A 84 -23.709 -5.450 13.747 1.00 0.00 C ATOM 1263 O ASN A 84 -23.853 -5.317 12.532 1.00 0.00 O ATOM 1264 CB ASN A 84 -23.300 -7.825 14.423 1.00 0.00 C ATOM 1265 CG ASN A 84 -23.222 -8.601 13.122 1.00 0.00 C ATOM 1266 OD1 ASN A 84 -22.499 -9.594 13.021 1.00 0.00 O ATOM 1267 ND2 ASN A 84 -23.965 -8.152 12.119 1.00 0.00 N ATOM 0 H ASN A 84 -22.668 -6.404 16.404 1.00 0.00 H new ATOM 0 HA ASN A 84 -21.834 -6.475 13.623 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -22.789 -8.383 15.207 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -24.343 -7.732 14.726 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -23.952 -8.633 11.220 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -24.549 -7.326 12.247 1.00 0.00 H new ATOM 1274 N VAL A 85 -24.419 -4.767 14.639 1.00 0.00 N ATOM 1275 CA VAL A 85 -25.432 -3.802 14.229 1.00 0.00 C ATOM 1276 C VAL A 85 -24.899 -2.375 14.321 1.00 0.00 C ATOM 1277 O VAL A 85 -24.941 -1.661 13.298 1.00 0.00 O ATOM 1278 CB VAL A 85 -26.705 -3.918 15.087 1.00 0.00 C ATOM 1279 CG1 VAL A 85 -27.855 -3.161 14.439 1.00 0.00 C ATOM 1280 CG2 VAL A 85 -27.077 -5.377 15.308 1.00 0.00 C ATOM 1281 OXT VAL A 85 -24.446 -1.984 15.419 1.00 0.00 O ATOM 0 H VAL A 85 -24.312 -4.864 15.649 1.00 0.00 H new ATOM 0 HA VAL A 85 -25.682 -4.030 13.193 1.00 0.00 H new ATOM 0 HB VAL A 85 -26.504 -3.470 16.060 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -28.747 -3.254 15.059 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -27.589 -2.109 14.341 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -28.054 -3.578 13.452 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -27.979 -5.434 15.917 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -27.257 -5.856 14.346 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -26.261 -5.887 15.820 1.00 0.00 H new TER 1291 VAL A 85