USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 798 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 26 ASN : amide:sc= -0.806 X(o=-0.76,f=-0.42) USER MOD Set 1.2: A 84 ASN : amide:sc= 0.0413 K(o=-0.76,f=-2.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 36:sc= 0.209 USER MOD Single : A 14 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.5!) USER MOD Single : A 15 THR OG1 : rot 36:sc= 0.641 USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00252) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 0.143 (180deg=0.138) USER MOD Single : A 42 ASN : amide:sc= -2.27! C(o=-2.3!,f=-8.4!) USER MOD Single : A 46 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.862 X(o=-0.86,f=-0.45) USER MOD Single : A 56 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.22) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.467 USER MOD Single : A 66 THR OG1 : rot -53:sc= 1.28 USER MOD Single : A 67 ASN : amide:sc= 0.477 K(o=0.48,f=-5.9!) USER MOD Single : A 70 ASN : amide:sc= -0.759 X(o=-0.76,f=-0.8) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0339 USER MOD Single : A 79 GLN : amide:sc= -0.0207 K(o=-0.021,f=-0.89) USER MOD Single : A 93 HIS : no HE2:sc= -0.147 K(o=-0.15,f=-0.89) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 95 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.71) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.0636 X(o=-0.064,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.598 -40.520 -8.420 1.00 0.00 N ATOM 2 CA GLY A 1 -34.651 -39.473 -8.864 1.00 0.00 C ATOM 3 C GLY A 1 -35.359 -38.373 -9.626 1.00 0.00 C ATOM 4 O GLY A 1 -35.721 -38.561 -10.795 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.081 -41.258 -7.901 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.316 -40.097 -7.797 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.064 -40.941 -9.249 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.143 -39.049 -7.998 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.883 -39.919 -9.496 1.00 0.00 H new ATOM 10 N ASP A 2 -35.582 -37.232 -8.958 1.00 0.00 N ATOM 11 CA ASP A 2 -36.299 -36.081 -9.528 1.00 0.00 C ATOM 12 C ASP A 2 -35.544 -34.793 -9.185 1.00 0.00 C ATOM 13 O ASP A 2 -35.398 -34.444 -8.012 1.00 0.00 O ATOM 14 CB ASP A 2 -37.755 -36.035 -8.982 1.00 0.00 C ATOM 15 CG ASP A 2 -38.569 -34.817 -9.469 1.00 0.00 C ATOM 16 OD1 ASP A 2 -39.043 -34.830 -10.622 1.00 0.00 O ATOM 17 OD2 ASP A 2 -38.734 -33.842 -8.703 1.00 0.00 O ATOM 0 H ASP A 2 -35.268 -37.080 -8.000 1.00 0.00 H new ATOM 0 HA ASP A 2 -36.349 -36.180 -10.612 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -38.273 -36.947 -9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -37.724 -36.026 -7.892 1.00 0.00 H new ATOM 22 N ARG A 3 -35.024 -34.120 -10.216 1.00 0.00 N ATOM 23 CA ARG A 3 -34.421 -32.781 -10.106 1.00 0.00 C ATOM 24 C ARG A 3 -35.351 -31.784 -10.814 1.00 0.00 C ATOM 25 O ARG A 3 -35.273 -31.598 -12.038 1.00 0.00 O ATOM 26 CB ARG A 3 -32.968 -32.769 -10.696 1.00 0.00 C ATOM 27 CG ARG A 3 -31.830 -32.877 -9.652 1.00 0.00 C ATOM 28 CD ARG A 3 -31.869 -34.166 -8.813 1.00 0.00 C ATOM 29 NE ARG A 3 -30.790 -34.172 -7.807 1.00 0.00 N ATOM 30 CZ ARG A 3 -30.293 -35.252 -7.187 1.00 0.00 C ATOM 31 NH1 ARG A 3 -30.739 -36.474 -7.457 1.00 0.00 N ATOM 32 NH2 ARG A 3 -29.333 -35.099 -6.288 1.00 0.00 N ATOM 0 H ARG A 3 -35.008 -34.492 -11.166 1.00 0.00 H new ATOM 0 HA ARG A 3 -34.320 -32.491 -9.060 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -32.873 -33.595 -11.400 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -32.832 -31.849 -11.264 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -30.871 -32.821 -10.168 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -31.883 -32.018 -8.982 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -32.835 -34.252 -8.316 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -31.768 -35.033 -9.466 1.00 0.00 H new ATOM 0 HE ARG A 3 -30.384 -33.270 -7.560 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -31.476 -36.606 -8.150 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -30.344 -37.280 -6.972 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -28.979 -34.167 -6.073 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -28.947 -35.913 -5.810 1.00 0.00 H new ATOM 46 N ARG A 4 -36.267 -31.198 -10.031 1.00 0.00 N ATOM 47 CA ARG A 4 -37.320 -30.302 -10.537 1.00 0.00 C ATOM 48 C ARG A 4 -36.927 -28.842 -10.270 1.00 0.00 C ATOM 49 O ARG A 4 -37.297 -28.255 -9.243 1.00 0.00 O ATOM 50 CB ARG A 4 -38.669 -30.686 -9.871 1.00 0.00 C ATOM 51 CG ARG A 4 -39.932 -30.089 -10.536 1.00 0.00 C ATOM 52 CD ARG A 4 -41.224 -30.785 -10.056 1.00 0.00 C ATOM 53 NE ARG A 4 -41.157 -32.256 -10.250 1.00 0.00 N ATOM 54 CZ ARG A 4 -42.195 -33.063 -10.512 1.00 0.00 C ATOM 55 NH1 ARG A 4 -43.437 -32.591 -10.636 1.00 0.00 N ATOM 56 NH2 ARG A 4 -41.973 -34.356 -10.661 1.00 0.00 N ATOM 0 H ARG A 4 -36.300 -31.332 -9.020 1.00 0.00 H new ATOM 0 HA ARG A 4 -37.437 -30.410 -11.615 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -38.758 -31.772 -9.871 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -38.643 -30.368 -8.829 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -39.990 -29.024 -10.313 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -39.850 -30.184 -11.619 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -41.387 -30.564 -9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -42.078 -30.384 -10.602 1.00 0.00 H new ATOM 0 HE ARG A 4 -40.238 -32.692 -10.177 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -43.616 -31.592 -10.531 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -44.207 -33.229 -10.836 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -41.025 -34.724 -10.576 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -42.749 -34.987 -10.861 1.00 0.00 H new ATOM 70 N VAL A 5 -36.097 -28.288 -11.176 1.00 0.00 N ATOM 71 CA VAL A 5 -35.542 -26.925 -11.056 1.00 0.00 C ATOM 72 C VAL A 5 -35.806 -26.139 -12.352 1.00 0.00 C ATOM 73 O VAL A 5 -35.676 -26.678 -13.464 1.00 0.00 O ATOM 74 CB VAL A 5 -33.986 -26.955 -10.761 1.00 0.00 C ATOM 75 CG1 VAL A 5 -33.372 -25.534 -10.674 1.00 0.00 C ATOM 76 CG2 VAL A 5 -33.675 -27.757 -9.470 1.00 0.00 C ATOM 0 H VAL A 5 -35.791 -28.777 -12.017 1.00 0.00 H new ATOM 0 HA VAL A 5 -36.037 -26.435 -10.217 1.00 0.00 H new ATOM 0 HB VAL A 5 -33.521 -27.460 -11.608 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -32.304 -25.611 -10.470 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -33.525 -25.013 -11.619 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -33.855 -24.977 -9.871 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -32.599 -27.760 -9.294 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -34.180 -27.293 -8.623 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -34.027 -28.782 -9.585 1.00 0.00 H new ATOM 86 N ARG A 6 -36.192 -24.867 -12.186 1.00 0.00 N ATOM 87 CA ARG A 6 -36.323 -23.897 -13.286 1.00 0.00 C ATOM 88 C ARG A 6 -35.117 -22.937 -13.256 1.00 0.00 C ATOM 89 O ARG A 6 -34.738 -22.426 -12.190 1.00 0.00 O ATOM 90 CB ARG A 6 -37.670 -23.126 -13.184 1.00 0.00 C ATOM 91 CG ARG A 6 -37.978 -22.539 -11.786 1.00 0.00 C ATOM 92 CD ARG A 6 -39.218 -21.637 -11.777 1.00 0.00 C ATOM 93 NE ARG A 6 -38.996 -20.411 -12.577 1.00 0.00 N ATOM 94 CZ ARG A 6 -39.949 -19.718 -13.221 1.00 0.00 C ATOM 95 NH1 ARG A 6 -41.212 -20.132 -13.222 1.00 0.00 N ATOM 96 NH2 ARG A 6 -39.632 -18.601 -13.858 1.00 0.00 N ATOM 0 H ARG A 6 -36.425 -24.476 -11.273 1.00 0.00 H new ATOM 0 HA ARG A 6 -36.329 -24.424 -14.240 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -37.663 -22.313 -13.910 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -38.480 -23.799 -13.466 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -38.124 -23.356 -11.079 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -37.117 -21.968 -11.440 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -40.072 -22.185 -12.176 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -39.465 -21.365 -10.751 1.00 0.00 H new ATOM 0 HE ARG A 6 -38.039 -20.064 -12.645 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -41.469 -20.987 -12.729 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -41.924 -19.595 -13.716 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -38.667 -18.270 -13.858 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -40.353 -18.071 -14.348 1.00 0.00 H new ATOM 110 N LEU A 7 -34.492 -22.732 -14.428 1.00 0.00 N ATOM 111 CA LEU A 7 -33.306 -21.870 -14.570 1.00 0.00 C ATOM 112 C LEU A 7 -33.752 -20.395 -14.504 1.00 0.00 C ATOM 113 O LEU A 7 -34.402 -19.895 -15.430 1.00 0.00 O ATOM 114 CB LEU A 7 -32.569 -22.209 -15.914 1.00 0.00 C ATOM 115 CG LEU A 7 -31.092 -21.692 -16.103 1.00 0.00 C ATOM 116 CD1 LEU A 7 -30.380 -22.482 -17.227 1.00 0.00 C ATOM 117 CD2 LEU A 7 -31.022 -20.170 -16.401 1.00 0.00 C ATOM 0 H LEU A 7 -34.795 -23.159 -15.303 1.00 0.00 H new ATOM 0 HA LEU A 7 -32.599 -22.046 -13.759 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -32.559 -23.293 -16.024 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -33.169 -21.811 -16.732 1.00 0.00 H new ATOM 0 HG LEU A 7 -30.580 -21.860 -15.156 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -29.362 -22.111 -17.343 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -30.354 -23.540 -16.967 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -30.923 -22.352 -18.163 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -29.981 -19.870 -16.522 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -31.571 -19.953 -17.318 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -31.465 -19.616 -15.573 1.00 0.00 H new ATOM 129 N ILE A 8 -33.438 -19.717 -13.385 1.00 0.00 N ATOM 130 CA ILE A 8 -33.788 -18.299 -13.190 1.00 0.00 C ATOM 131 C ILE A 8 -32.528 -17.423 -13.377 1.00 0.00 C ATOM 132 O ILE A 8 -31.516 -17.592 -12.678 1.00 0.00 O ATOM 133 CB ILE A 8 -34.480 -18.040 -11.795 1.00 0.00 C ATOM 134 CG1 ILE A 8 -34.913 -16.533 -11.648 1.00 0.00 C ATOM 135 CG2 ILE A 8 -33.591 -18.496 -10.599 1.00 0.00 C ATOM 136 CD1 ILE A 8 -35.738 -16.209 -10.411 1.00 0.00 C ATOM 0 H ILE A 8 -32.939 -20.132 -12.598 1.00 0.00 H new ATOM 0 HA ILE A 8 -34.524 -18.022 -13.945 1.00 0.00 H new ATOM 0 HB ILE A 8 -35.380 -18.654 -11.767 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -34.016 -15.914 -11.638 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -35.486 -16.249 -12.531 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -34.111 -18.297 -9.662 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -33.389 -19.564 -10.682 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -32.650 -17.947 -10.615 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -35.984 -15.147 -10.405 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -36.658 -16.794 -10.423 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -35.165 -16.453 -9.517 1.00 0.00 H new ATOM 148 N ARG A 9 -32.590 -16.523 -14.373 1.00 0.00 N ATOM 149 CA ARG A 9 -31.511 -15.571 -14.677 1.00 0.00 C ATOM 150 C ARG A 9 -31.471 -14.476 -13.596 1.00 0.00 C ATOM 151 O ARG A 9 -32.525 -13.934 -13.228 1.00 0.00 O ATOM 152 CB ARG A 9 -31.730 -14.979 -16.111 1.00 0.00 C ATOM 153 CG ARG A 9 -30.656 -13.955 -16.605 1.00 0.00 C ATOM 154 CD ARG A 9 -31.015 -12.483 -16.304 1.00 0.00 C ATOM 155 NE ARG A 9 -29.881 -11.572 -16.553 1.00 0.00 N ATOM 156 CZ ARG A 9 -29.964 -10.236 -16.695 1.00 0.00 C ATOM 157 NH1 ARG A 9 -31.140 -9.625 -16.779 1.00 0.00 N ATOM 158 NH2 ARG A 9 -28.860 -9.514 -16.788 1.00 0.00 N ATOM 0 H ARG A 9 -33.395 -16.436 -14.993 1.00 0.00 H new ATOM 0 HA ARG A 9 -30.545 -16.075 -14.670 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -31.768 -15.805 -16.821 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -32.705 -14.492 -16.136 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -29.701 -14.190 -16.136 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -30.521 -14.074 -17.680 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -31.862 -12.184 -16.921 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -31.330 -12.393 -15.265 1.00 0.00 H new ATOM 0 HE ARG A 9 -28.954 -11.991 -16.624 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -32.002 -10.169 -16.736 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -31.182 -8.612 -16.886 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -27.948 -9.970 -16.752 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -28.920 -8.501 -16.896 1.00 0.00 H new ATOM 172 N THR A 10 -30.263 -14.173 -13.085 1.00 0.00 N ATOM 173 CA THR A 10 -30.066 -13.137 -12.062 1.00 0.00 C ATOM 174 C THR A 10 -30.372 -11.740 -12.638 1.00 0.00 C ATOM 175 O THR A 10 -29.572 -11.171 -13.395 1.00 0.00 O ATOM 176 CB THR A 10 -28.618 -13.190 -11.459 1.00 0.00 C ATOM 177 OG1 THR A 10 -27.626 -13.147 -12.500 1.00 0.00 O ATOM 178 CG2 THR A 10 -28.399 -14.455 -10.617 1.00 0.00 C ATOM 0 H THR A 10 -29.402 -14.639 -13.370 1.00 0.00 H new ATOM 0 HA THR A 10 -30.765 -13.335 -11.250 1.00 0.00 H new ATOM 0 HB THR A 10 -28.514 -12.316 -10.816 1.00 0.00 H new ATOM 0 HG1 THR A 10 -27.936 -12.563 -13.223 1.00 0.00 H new ATOM 0 HG21 THR A 10 -27.385 -14.455 -10.217 1.00 0.00 H new ATOM 0 HG22 THR A 10 -29.114 -14.473 -9.794 1.00 0.00 H new ATOM 0 HG23 THR A 10 -28.543 -15.337 -11.241 1.00 0.00 H new ATOM 186 N ARG A 11 -31.578 -11.232 -12.317 1.00 0.00 N ATOM 187 CA ARG A 11 -32.024 -9.893 -12.712 1.00 0.00 C ATOM 188 C ARG A 11 -31.214 -8.832 -11.962 1.00 0.00 C ATOM 189 O ARG A 11 -31.554 -8.444 -10.838 1.00 0.00 O ATOM 190 CB ARG A 11 -33.552 -9.720 -12.461 1.00 0.00 C ATOM 191 CG ARG A 11 -34.451 -10.521 -13.426 1.00 0.00 C ATOM 192 CD ARG A 11 -34.158 -10.211 -14.909 1.00 0.00 C ATOM 193 NE ARG A 11 -34.144 -8.760 -15.186 1.00 0.00 N ATOM 194 CZ ARG A 11 -34.064 -8.195 -16.397 1.00 0.00 C ATOM 195 NH1 ARG A 11 -34.126 -8.925 -17.502 1.00 0.00 N ATOM 196 NH2 ARG A 11 -33.953 -6.879 -16.493 1.00 0.00 N ATOM 0 H ARG A 11 -32.270 -11.747 -11.773 1.00 0.00 H new ATOM 0 HA ARG A 11 -31.853 -9.766 -13.781 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -33.777 -10.023 -11.438 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -33.804 -8.663 -12.542 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -34.310 -11.587 -13.247 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -35.496 -10.298 -13.212 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -33.195 -10.641 -15.184 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -34.911 -10.691 -15.534 1.00 0.00 H new ATOM 0 HE ARG A 11 -34.200 -8.133 -14.383 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -34.237 -9.937 -17.439 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -34.063 -8.475 -18.415 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -33.929 -6.306 -15.649 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -33.891 -6.438 -17.411 1.00 0.00 H new ATOM 210 N GLY A 12 -30.114 -8.413 -12.589 1.00 0.00 N ATOM 211 CA GLY A 12 -29.188 -7.461 -11.989 1.00 0.00 C ATOM 212 C GLY A 12 -28.423 -6.673 -13.037 1.00 0.00 C ATOM 213 O GLY A 12 -28.164 -7.180 -14.138 1.00 0.00 O ATOM 0 H GLY A 12 -29.844 -8.724 -13.522 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -29.740 -6.772 -11.349 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -28.483 -7.994 -11.350 1.00 0.00 H new ATOM 217 N GLY A 13 -28.079 -5.425 -12.694 1.00 0.00 N ATOM 218 CA GLY A 13 -27.282 -4.548 -13.552 1.00 0.00 C ATOM 219 C GLY A 13 -26.217 -3.839 -12.744 1.00 0.00 C ATOM 220 O GLY A 13 -25.022 -4.026 -12.980 1.00 0.00 O ATOM 0 H GLY A 13 -28.349 -4.996 -11.809 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -26.816 -5.132 -14.346 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -27.929 -3.815 -14.034 1.00 0.00 H new ATOM 224 N ASN A 14 -26.663 -3.023 -11.770 1.00 0.00 N ATOM 225 CA ASN A 14 -25.771 -2.327 -10.824 1.00 0.00 C ATOM 226 C ASN A 14 -25.362 -3.313 -9.716 1.00 0.00 C ATOM 227 O ASN A 14 -26.075 -3.473 -8.716 1.00 0.00 O ATOM 228 CB ASN A 14 -26.482 -1.068 -10.240 1.00 0.00 C ATOM 229 CG ASN A 14 -25.609 -0.179 -9.325 1.00 0.00 C ATOM 230 OD1 ASN A 14 -24.678 -0.635 -8.655 1.00 0.00 O ATOM 231 ND2 ASN A 14 -25.913 1.107 -9.280 1.00 0.00 N ATOM 0 H ASN A 14 -27.652 -2.828 -11.617 1.00 0.00 H new ATOM 0 HA ASN A 14 -24.873 -1.982 -11.336 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -26.846 -0.460 -11.068 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -27.356 -1.394 -9.675 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -25.375 1.738 -8.686 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -26.685 1.468 -9.840 1.00 0.00 H new ATOM 238 N THR A 15 -24.259 -4.034 -9.935 1.00 0.00 N ATOM 239 CA THR A 15 -23.696 -4.963 -8.947 1.00 0.00 C ATOM 240 C THR A 15 -22.320 -4.441 -8.513 1.00 0.00 C ATOM 241 O THR A 15 -21.342 -4.556 -9.267 1.00 0.00 O ATOM 242 CB THR A 15 -23.605 -6.422 -9.524 1.00 0.00 C ATOM 243 OG1 THR A 15 -22.765 -6.458 -10.694 1.00 0.00 O ATOM 244 CG2 THR A 15 -25.000 -6.974 -9.892 1.00 0.00 C ATOM 0 H THR A 15 -23.728 -3.991 -10.805 1.00 0.00 H new ATOM 0 HA THR A 15 -24.352 -5.014 -8.078 1.00 0.00 H new ATOM 0 HB THR A 15 -23.173 -7.047 -8.742 1.00 0.00 H new ATOM 0 HG1 THR A 15 -22.022 -5.828 -10.583 1.00 0.00 H new ATOM 0 HG21 THR A 15 -24.899 -7.985 -10.288 1.00 0.00 H new ATOM 0 HG22 THR A 15 -25.630 -6.994 -9.002 1.00 0.00 H new ATOM 0 HG23 THR A 15 -25.457 -6.333 -10.646 1.00 0.00 H new ATOM 252 N LYS A 16 -22.266 -3.814 -7.320 1.00 0.00 N ATOM 253 CA LYS A 16 -21.031 -3.212 -6.785 1.00 0.00 C ATOM 254 C LYS A 16 -20.046 -4.307 -6.340 1.00 0.00 C ATOM 255 O LYS A 16 -20.012 -4.696 -5.165 1.00 0.00 O ATOM 256 CB LYS A 16 -21.333 -2.232 -5.619 1.00 0.00 C ATOM 257 CG LYS A 16 -21.974 -0.889 -6.042 1.00 0.00 C ATOM 258 CD LYS A 16 -22.319 0.016 -4.831 1.00 0.00 C ATOM 259 CE LYS A 16 -21.110 0.295 -3.915 1.00 0.00 C ATOM 260 NZ LYS A 16 -19.993 0.962 -4.638 1.00 0.00 N ATOM 0 H LYS A 16 -23.073 -3.712 -6.705 1.00 0.00 H new ATOM 0 HA LYS A 16 -20.568 -2.634 -7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -21.998 -2.727 -4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -20.403 -2.023 -5.090 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -21.291 -0.358 -6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -22.881 -1.088 -6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -22.716 0.963 -5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -23.108 -0.457 -4.246 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.426 0.923 -3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.755 -0.644 -3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -19.211 1.144 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -19.660 0.346 -5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.326 1.863 -5.036 1.00 0.00 H new ATOM 274 N VAL A 17 -19.295 -4.833 -7.317 1.00 0.00 N ATOM 275 CA VAL A 17 -18.223 -5.806 -7.094 1.00 0.00 C ATOM 276 C VAL A 17 -16.956 -5.054 -6.643 1.00 0.00 C ATOM 277 O VAL A 17 -16.714 -3.920 -7.078 1.00 0.00 O ATOM 278 CB VAL A 17 -17.953 -6.650 -8.410 1.00 0.00 C ATOM 279 CG1 VAL A 17 -16.783 -7.650 -8.235 1.00 0.00 C ATOM 280 CG2 VAL A 17 -19.245 -7.384 -8.861 1.00 0.00 C ATOM 0 H VAL A 17 -19.419 -4.589 -8.300 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.518 -6.508 -6.314 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.658 -5.948 -9.190 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -16.636 -8.204 -9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -15.872 -7.104 -7.990 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -17.017 -8.346 -7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -19.041 -7.958 -9.765 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -19.575 -8.058 -8.070 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -20.027 -6.652 -9.065 1.00 0.00 H new ATOM 290 N ARG A 18 -16.173 -5.689 -5.753 1.00 0.00 N ATOM 291 CA ARG A 18 -14.897 -5.139 -5.241 1.00 0.00 C ATOM 292 C ARG A 18 -13.834 -5.005 -6.370 1.00 0.00 C ATOM 293 O ARG A 18 -14.156 -5.166 -7.552 1.00 0.00 O ATOM 294 CB ARG A 18 -14.405 -6.020 -4.063 1.00 0.00 C ATOM 295 CG ARG A 18 -14.171 -7.536 -4.393 1.00 0.00 C ATOM 296 CD ARG A 18 -14.837 -8.487 -3.371 1.00 0.00 C ATOM 297 NE ARG A 18 -14.425 -8.190 -1.981 1.00 0.00 N ATOM 298 CZ ARG A 18 -15.169 -8.405 -0.879 1.00 0.00 C ATOM 299 NH1 ARG A 18 -16.361 -8.979 -0.952 1.00 0.00 N ATOM 300 NH2 ARG A 18 -14.700 -8.048 0.297 1.00 0.00 N ATOM 0 H ARG A 18 -16.405 -6.603 -5.364 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.061 -4.127 -4.871 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.471 -5.602 -3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.133 -5.952 -3.255 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.561 -7.750 -5.388 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.100 -7.735 -4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.921 -8.404 -3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.577 -9.518 -3.613 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.497 -7.788 -1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.733 -9.268 -1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.906 -9.132 -0.104 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.780 -7.613 0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.256 -8.207 1.137 1.00 0.00 H new ATOM 314 N LEU A 19 -12.579 -4.667 -6.000 1.00 0.00 N ATOM 315 CA LEU A 19 -11.484 -4.381 -6.973 1.00 0.00 C ATOM 316 C LEU A 19 -10.893 -5.670 -7.628 1.00 0.00 C ATOM 317 O LEU A 19 -9.686 -5.948 -7.571 1.00 0.00 O ATOM 318 CB LEU A 19 -10.407 -3.457 -6.299 1.00 0.00 C ATOM 319 CG LEU A 19 -9.980 -3.788 -4.812 1.00 0.00 C ATOM 320 CD1 LEU A 19 -8.997 -4.972 -4.717 1.00 0.00 C ATOM 321 CD2 LEU A 19 -9.413 -2.543 -4.111 1.00 0.00 C ATOM 0 H LEU A 19 -12.290 -4.583 -5.025 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.905 -3.834 -7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.510 -3.480 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.782 -2.434 -6.320 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.887 -4.097 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.742 -5.150 -3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.462 -5.865 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.091 -4.739 -5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.127 -2.798 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.538 -2.186 -4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.171 -1.760 -4.090 1.00 0.00 H new ATOM 333 N ALA A 20 -11.784 -6.431 -8.284 1.00 0.00 N ATOM 334 CA ALA A 20 -11.443 -7.628 -9.064 1.00 0.00 C ATOM 335 C ALA A 20 -11.313 -7.269 -10.550 1.00 0.00 C ATOM 336 O ALA A 20 -10.676 -7.993 -11.320 1.00 0.00 O ATOM 337 CB ALA A 20 -12.515 -8.702 -8.846 1.00 0.00 C ATOM 0 H ALA A 20 -12.783 -6.225 -8.286 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.484 -8.023 -8.729 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.263 -9.591 -9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.562 -8.959 -7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.483 -8.321 -9.170 1.00 0.00 H new ATOM 343 N SER A 21 -11.931 -6.133 -10.929 1.00 0.00 N ATOM 344 CA SER A 21 -11.840 -5.558 -12.281 1.00 0.00 C ATOM 345 C SER A 21 -10.419 -5.043 -12.554 1.00 0.00 C ATOM 346 O SER A 21 -9.923 -5.118 -13.681 1.00 0.00 O ATOM 347 CB SER A 21 -12.881 -4.426 -12.411 1.00 0.00 C ATOM 348 OG SER A 21 -12.793 -3.537 -11.304 1.00 0.00 O ATOM 0 H SER A 21 -12.513 -5.585 -10.296 1.00 0.00 H new ATOM 0 HA SER A 21 -12.054 -6.326 -13.024 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.717 -3.878 -13.339 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.883 -4.851 -12.465 1.00 0.00 H new ATOM 0 HG SER A 21 -13.458 -2.824 -11.403 1.00 0.00 H new ATOM 354 N ASP A 22 -9.784 -4.522 -11.493 1.00 0.00 N ATOM 355 CA ASP A 22 -8.381 -4.092 -11.500 1.00 0.00 C ATOM 356 C ASP A 22 -7.819 -4.290 -10.088 1.00 0.00 C ATOM 357 O ASP A 22 -8.416 -3.795 -9.122 1.00 0.00 O ATOM 358 CB ASP A 22 -8.269 -2.608 -11.935 1.00 0.00 C ATOM 359 CG ASP A 22 -6.809 -2.122 -12.057 1.00 0.00 C ATOM 360 OD1 ASP A 22 -6.114 -2.551 -12.997 1.00 0.00 O ATOM 361 OD2 ASP A 22 -6.366 -1.290 -11.239 1.00 0.00 O ATOM 0 H ASP A 22 -10.241 -4.386 -10.591 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.809 -4.684 -12.214 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.770 -2.478 -12.894 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.795 -1.983 -11.213 1.00 0.00 H new ATOM 366 N THR A 23 -6.691 -5.018 -9.969 1.00 0.00 N ATOM 367 CA THR A 23 -6.082 -5.346 -8.669 1.00 0.00 C ATOM 368 C THR A 23 -5.473 -4.091 -8.015 1.00 0.00 C ATOM 369 O THR A 23 -4.496 -3.508 -8.515 1.00 0.00 O ATOM 370 CB THR A 23 -4.996 -6.461 -8.824 1.00 0.00 C ATOM 371 OG1 THR A 23 -5.570 -7.593 -9.500 1.00 0.00 O ATOM 372 CG2 THR A 23 -4.424 -6.915 -7.457 1.00 0.00 C ATOM 0 H THR A 23 -6.180 -5.393 -10.768 1.00 0.00 H new ATOM 0 HA THR A 23 -6.871 -5.725 -8.019 1.00 0.00 H new ATOM 0 HB THR A 23 -4.173 -6.044 -9.404 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.891 -8.293 -9.600 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.674 -7.690 -7.616 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.966 -6.064 -6.954 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.230 -7.311 -6.839 1.00 0.00 H new ATOM 380 N ARG A 24 -6.093 -3.679 -6.901 1.00 0.00 N ATOM 381 CA ARG A 24 -5.716 -2.461 -6.154 1.00 0.00 C ATOM 382 C ARG A 24 -5.517 -2.767 -4.653 1.00 0.00 C ATOM 383 O ARG A 24 -5.748 -3.894 -4.197 1.00 0.00 O ATOM 384 CB ARG A 24 -6.797 -1.369 -6.381 1.00 0.00 C ATOM 385 CG ARG A 24 -7.003 -0.974 -7.860 1.00 0.00 C ATOM 386 CD ARG A 24 -8.139 0.036 -8.075 1.00 0.00 C ATOM 387 NE ARG A 24 -8.314 0.349 -9.504 1.00 0.00 N ATOM 388 CZ ARG A 24 -9.212 1.212 -10.005 1.00 0.00 C ATOM 389 NH1 ARG A 24 -10.017 1.900 -9.208 1.00 0.00 N ATOM 390 NH2 ARG A 24 -9.296 1.399 -11.315 1.00 0.00 N ATOM 0 H ARG A 24 -6.877 -4.182 -6.486 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.761 -2.090 -6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.745 -1.724 -5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.522 -0.479 -5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.075 -0.552 -8.247 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.212 -1.872 -8.441 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.068 -0.367 -7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.924 0.951 -7.524 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.703 -0.129 -10.167 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.960 1.778 -8.197 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.694 2.552 -9.606 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.678 0.887 -11.944 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.979 2.055 -11.694 1.00 0.00 H new ATOM 404 N ILE A 25 -5.079 -1.742 -3.912 1.00 0.00 N ATOM 405 CA ILE A 25 -4.686 -1.859 -2.497 1.00 0.00 C ATOM 406 C ILE A 25 -5.077 -0.573 -1.752 1.00 0.00 C ATOM 407 O ILE A 25 -5.086 0.511 -2.339 1.00 0.00 O ATOM 408 CB ILE A 25 -3.127 -2.114 -2.373 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.666 -2.268 -0.881 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.319 -0.993 -3.077 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.197 -2.629 -0.689 1.00 0.00 C ATOM 0 H ILE A 25 -4.985 -0.795 -4.280 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.205 -2.707 -2.051 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.924 -3.059 -2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.865 -1.333 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.277 -3.035 -0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.253 -1.195 -2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.584 -0.963 -4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.552 -0.033 -2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.979 -2.712 0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.990 -3.581 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.571 -1.852 -1.128 1.00 0.00 H new ATOM 423 N ASN A 26 -5.418 -0.694 -0.458 1.00 0.00 N ATOM 424 CA ASN A 26 -5.704 0.470 0.394 1.00 0.00 C ATOM 425 C ASN A 26 -4.402 0.916 1.064 1.00 0.00 C ATOM 426 O ASN A 26 -3.931 0.280 2.012 1.00 0.00 O ATOM 427 CB ASN A 26 -6.779 0.144 1.457 1.00 0.00 C ATOM 428 CG ASN A 26 -8.129 -0.197 0.837 1.00 0.00 C ATOM 429 OD1 ASN A 26 -8.958 0.682 0.588 1.00 0.00 O ATOM 430 ND2 ASN A 26 -8.357 -1.467 0.588 1.00 0.00 N ATOM 0 H ASN A 26 -5.502 -1.590 0.021 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.101 1.275 -0.224 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.441 -0.694 2.066 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.895 0.997 2.125 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.244 -1.754 0.175 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.647 -2.165 0.808 1.00 0.00 H new ATOM 437 N VAL A 27 -3.822 1.997 0.541 1.00 0.00 N ATOM 438 CA VAL A 27 -2.565 2.562 1.018 1.00 0.00 C ATOM 439 C VAL A 27 -2.863 3.554 2.143 1.00 0.00 C ATOM 440 O VAL A 27 -3.521 4.573 1.917 1.00 0.00 O ATOM 441 CB VAL A 27 -1.809 3.275 -0.161 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.489 3.926 0.305 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.565 2.282 -1.314 1.00 0.00 C ATOM 0 H VAL A 27 -4.223 2.513 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.924 1.766 1.398 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.445 4.083 -0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.001 4.407 -0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.702 4.671 1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.169 3.160 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.041 2.788 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.961 1.449 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.521 1.906 -1.679 1.00 0.00 H new ATOM 453 N VAL A 28 -2.430 3.214 3.359 1.00 0.00 N ATOM 454 CA VAL A 28 -2.592 4.075 4.531 1.00 0.00 C ATOM 455 C VAL A 28 -1.285 4.825 4.772 1.00 0.00 C ATOM 456 O VAL A 28 -0.296 4.222 5.193 1.00 0.00 O ATOM 457 CB VAL A 28 -2.972 3.252 5.822 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.299 4.178 7.015 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.126 2.266 5.546 1.00 0.00 C ATOM 0 H VAL A 28 -1.957 2.333 3.558 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.408 4.770 4.334 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.096 2.665 6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.556 3.574 7.885 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.430 4.795 7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.142 4.820 6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.361 1.716 6.458 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.006 2.819 5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.827 1.565 4.767 1.00 0.00 H new ATOM 469 N ASP A 29 -1.269 6.110 4.406 1.00 0.00 N ATOM 470 CA ASP A 29 -0.215 7.053 4.794 1.00 0.00 C ATOM 471 C ASP A 29 -0.064 7.033 6.330 1.00 0.00 C ATOM 472 O ASP A 29 -0.947 7.523 7.015 1.00 0.00 O ATOM 473 CB ASP A 29 -0.574 8.490 4.321 1.00 0.00 C ATOM 474 CG ASP A 29 -0.481 8.701 2.805 1.00 0.00 C ATOM 475 OD1 ASP A 29 -1.034 7.885 2.042 1.00 0.00 O ATOM 476 OD2 ASP A 29 0.164 9.682 2.365 1.00 0.00 O ATOM 0 H ASP A 29 -1.995 6.530 3.826 1.00 0.00 H new ATOM 0 HA ASP A 29 0.723 6.758 4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.588 8.724 4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.091 9.199 4.815 1.00 0.00 H new ATOM 481 N PRO A 30 1.038 6.450 6.897 1.00 0.00 N ATOM 482 CA PRO A 30 1.182 6.288 8.367 1.00 0.00 C ATOM 483 C PRO A 30 1.380 7.635 9.109 1.00 0.00 C ATOM 484 O PRO A 30 1.060 7.747 10.300 1.00 0.00 O ATOM 485 CB PRO A 30 2.421 5.361 8.499 1.00 0.00 C ATOM 486 CG PRO A 30 3.229 5.644 7.274 1.00 0.00 C ATOM 487 CD PRO A 30 2.218 5.897 6.174 1.00 0.00 C ATOM 0 HA PRO A 30 0.285 5.876 8.828 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.985 5.578 9.406 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.129 4.312 8.549 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.875 6.510 7.421 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.876 4.802 7.027 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.600 6.600 5.434 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.967 4.979 5.642 1.00 0.00 H new ATOM 495 N GLU A 31 1.888 8.643 8.386 1.00 0.00 N ATOM 496 CA GLU A 31 2.197 9.964 8.952 1.00 0.00 C ATOM 497 C GLU A 31 0.921 10.832 9.072 1.00 0.00 C ATOM 498 O GLU A 31 0.643 11.406 10.132 1.00 0.00 O ATOM 499 CB GLU A 31 3.255 10.659 8.057 1.00 0.00 C ATOM 500 CG GLU A 31 4.574 9.862 7.885 1.00 0.00 C ATOM 501 CD GLU A 31 5.540 10.483 6.859 1.00 0.00 C ATOM 502 OE1 GLU A 31 6.145 11.532 7.157 1.00 0.00 O ATOM 503 OE2 GLU A 31 5.688 9.931 5.742 1.00 0.00 O ATOM 0 H GLU A 31 2.097 8.565 7.391 1.00 0.00 H new ATOM 0 HA GLU A 31 2.597 9.838 9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.821 10.835 7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.488 11.635 8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.076 9.794 8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.336 8.844 7.578 1.00 0.00 H new ATOM 510 N THR A 32 0.157 10.926 7.972 1.00 0.00 N ATOM 511 CA THR A 32 -1.083 11.739 7.903 1.00 0.00 C ATOM 512 C THR A 32 -2.362 10.919 8.207 1.00 0.00 C ATOM 513 O THR A 32 -3.450 11.502 8.326 1.00 0.00 O ATOM 514 CB THR A 32 -1.209 12.409 6.498 1.00 0.00 C ATOM 515 OG1 THR A 32 -1.115 11.398 5.487 1.00 0.00 O ATOM 516 CG2 THR A 32 -0.126 13.485 6.266 1.00 0.00 C ATOM 0 H THR A 32 0.376 10.443 7.101 1.00 0.00 H new ATOM 0 HA THR A 32 -1.000 12.502 8.677 1.00 0.00 H new ATOM 0 HB THR A 32 -2.176 12.909 6.448 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.195 11.812 4.602 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.254 13.923 5.276 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.220 14.264 7.022 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.861 13.028 6.336 1.00 0.00 H new ATOM 524 N GLY A 33 -2.231 9.580 8.290 1.00 0.00 N ATOM 525 CA GLY A 33 -3.360 8.677 8.598 1.00 0.00 C ATOM 526 C GLY A 33 -4.280 8.393 7.405 1.00 0.00 C ATOM 527 O GLY A 33 -5.210 7.590 7.524 1.00 0.00 O ATOM 0 H GLY A 33 -1.345 9.095 8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.964 7.732 8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.951 9.114 9.403 1.00 0.00 H new ATOM 531 N LYS A 34 -4.001 9.037 6.254 1.00 0.00 N ATOM 532 CA LYS A 34 -4.897 9.043 5.077 1.00 0.00 C ATOM 533 C LYS A 34 -4.878 7.715 4.303 1.00 0.00 C ATOM 534 O LYS A 34 -3.821 7.251 3.885 1.00 0.00 O ATOM 535 CB LYS A 34 -4.502 10.221 4.154 1.00 0.00 C ATOM 536 CG LYS A 34 -4.675 11.601 4.816 1.00 0.00 C ATOM 537 CD LYS A 34 -6.161 11.939 5.097 1.00 0.00 C ATOM 538 CE LYS A 34 -6.340 13.212 5.937 1.00 0.00 C ATOM 539 NZ LYS A 34 -5.851 13.029 7.325 1.00 0.00 N ATOM 0 H LYS A 34 -3.143 9.571 6.113 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.920 9.168 5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.463 10.101 3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.107 10.182 3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.117 11.625 5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.247 12.367 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.686 12.059 4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.627 11.100 5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.802 14.036 5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.394 13.489 5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.020 13.898 7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.358 12.237 7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.832 12.823 7.310 1.00 0.00 H new ATOM 553 N VAL A 35 -6.078 7.124 4.110 1.00 0.00 N ATOM 554 CA VAL A 35 -6.258 5.870 3.346 1.00 0.00 C ATOM 555 C VAL A 35 -6.847 6.193 1.952 1.00 0.00 C ATOM 556 O VAL A 35 -7.783 6.998 1.849 1.00 0.00 O ATOM 557 CB VAL A 35 -7.226 4.867 4.094 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.223 3.472 3.422 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.889 4.763 5.603 1.00 0.00 C ATOM 0 H VAL A 35 -6.949 7.504 4.480 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.281 5.396 3.247 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.235 5.272 4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.898 2.807 3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.554 3.566 2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.214 3.060 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.576 4.065 6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.866 4.406 5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.988 5.745 6.066 1.00 0.00 H new ATOM 569 N GLU A 36 -6.298 5.569 0.897 1.00 0.00 N ATOM 570 CA GLU A 36 -6.828 5.674 -0.481 1.00 0.00 C ATOM 571 C GLU A 36 -6.595 4.352 -1.218 1.00 0.00 C ATOM 572 O GLU A 36 -5.596 3.672 -0.979 1.00 0.00 O ATOM 573 CB GLU A 36 -6.145 6.846 -1.247 1.00 0.00 C ATOM 574 CG GLU A 36 -6.526 7.003 -2.744 1.00 0.00 C ATOM 575 CD GLU A 36 -8.003 7.384 -2.972 1.00 0.00 C ATOM 576 OE1 GLU A 36 -8.324 8.594 -2.953 1.00 0.00 O ATOM 577 OE2 GLU A 36 -8.848 6.481 -3.173 1.00 0.00 O ATOM 0 H GLU A 36 -5.472 4.975 0.971 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.897 5.879 -0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.385 7.777 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.065 6.715 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.890 7.766 -3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.317 6.067 -3.263 1.00 0.00 H new ATOM 584 N ILE A 37 -7.530 4.004 -2.112 1.00 0.00 N ATOM 585 CA ILE A 37 -7.401 2.838 -2.985 1.00 0.00 C ATOM 586 C ILE A 37 -6.446 3.199 -4.144 1.00 0.00 C ATOM 587 O ILE A 37 -6.832 3.924 -5.069 1.00 0.00 O ATOM 588 CB ILE A 37 -8.803 2.390 -3.556 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.847 2.213 -2.404 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.665 1.082 -4.383 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.267 1.940 -2.866 1.00 0.00 C ATOM 0 H ILE A 37 -8.396 4.525 -2.248 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.001 2.003 -2.410 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.166 3.176 -4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.524 1.392 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.847 3.114 -1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.642 0.790 -4.768 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.982 1.249 -5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.274 0.288 -3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.918 1.832 -1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.616 2.770 -3.480 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.289 1.021 -3.452 1.00 0.00 H new ATOM 603 N ALA A 38 -5.186 2.758 -4.039 1.00 0.00 N ATOM 604 CA ALA A 38 -4.175 2.942 -5.093 1.00 0.00 C ATOM 605 C ALA A 38 -4.132 1.740 -6.039 1.00 0.00 C ATOM 606 O ALA A 38 -4.439 0.618 -5.643 1.00 0.00 O ATOM 607 CB ALA A 38 -2.800 3.170 -4.468 1.00 0.00 C ATOM 0 H ALA A 38 -4.836 2.262 -3.219 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.453 3.819 -5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.060 3.305 -5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.829 4.061 -3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.529 2.307 -3.860 1.00 0.00 H new ATOM 613 N GLU A 39 -3.694 1.999 -7.277 1.00 0.00 N ATOM 614 CA GLU A 39 -3.612 0.992 -8.343 1.00 0.00 C ATOM 615 C GLU A 39 -2.202 0.394 -8.337 1.00 0.00 C ATOM 616 O GLU A 39 -1.220 1.148 -8.461 1.00 0.00 O ATOM 617 CB GLU A 39 -3.900 1.645 -9.715 1.00 0.00 C ATOM 618 CG GLU A 39 -5.221 2.433 -9.797 1.00 0.00 C ATOM 619 CD GLU A 39 -5.402 3.110 -11.164 1.00 0.00 C ATOM 620 OE1 GLU A 39 -4.752 4.152 -11.411 1.00 0.00 O ATOM 621 OE2 GLU A 39 -6.158 2.593 -12.010 1.00 0.00 O ATOM 0 H GLU A 39 -3.383 2.925 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.352 0.210 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.078 2.317 -9.960 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.912 0.865 -10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.057 1.759 -9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.242 3.189 -9.012 1.00 0.00 H new ATOM 628 N ILE A 40 -2.099 -0.939 -8.193 1.00 0.00 N ATOM 629 CA ILE A 40 -0.797 -1.619 -8.077 1.00 0.00 C ATOM 630 C ILE A 40 -0.106 -1.677 -9.460 1.00 0.00 C ATOM 631 O ILE A 40 -0.580 -2.354 -10.376 1.00 0.00 O ATOM 632 CB ILE A 40 -0.958 -3.066 -7.481 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.760 -3.009 -6.138 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.429 -3.740 -7.274 1.00 0.00 C ATOM 635 CD1 ILE A 40 -2.053 -4.352 -5.501 1.00 0.00 C ATOM 0 H ILE A 40 -2.902 -1.567 -8.154 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.174 -1.046 -7.391 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.517 -3.674 -8.192 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.201 -2.402 -5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.705 -2.498 -6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.290 -4.739 -6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.945 -3.812 -8.231 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.025 -3.142 -6.584 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.612 -4.202 -4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.643 -4.959 -6.187 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.115 -4.862 -5.279 1.00 0.00 H new ATOM 647 N ARG A 41 1.001 -0.937 -9.585 1.00 0.00 N ATOM 648 CA ARG A 41 1.822 -0.878 -10.803 1.00 0.00 C ATOM 649 C ARG A 41 2.701 -2.129 -10.936 1.00 0.00 C ATOM 650 O ARG A 41 2.680 -2.810 -11.962 1.00 0.00 O ATOM 651 CB ARG A 41 2.725 0.379 -10.781 1.00 0.00 C ATOM 652 CG ARG A 41 1.989 1.730 -10.910 1.00 0.00 C ATOM 653 CD ARG A 41 2.972 2.918 -10.944 1.00 0.00 C ATOM 654 NE ARG A 41 4.060 2.692 -11.923 1.00 0.00 N ATOM 655 CZ ARG A 41 4.384 3.491 -12.946 1.00 0.00 C ATOM 656 NH1 ARG A 41 3.800 4.671 -13.117 1.00 0.00 N ATOM 657 NH2 ARG A 41 5.336 3.109 -13.782 1.00 0.00 N ATOM 0 H ARG A 41 1.359 -0.352 -8.830 1.00 0.00 H new ATOM 0 HA ARG A 41 1.147 -0.829 -11.657 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.291 0.381 -9.850 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.447 0.300 -11.593 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.387 1.730 -11.819 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.302 1.851 -10.072 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.434 3.830 -11.201 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.398 3.068 -9.952 1.00 0.00 H new ATOM 0 HE ARG A 41 4.616 1.845 -11.806 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.086 4.987 -12.460 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.065 5.262 -13.905 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.811 2.217 -13.641 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.595 3.706 -14.567 1.00 0.00 H new ATOM 671 N ASN A 42 3.474 -2.412 -9.879 1.00 0.00 N ATOM 672 CA ASN A 42 4.490 -3.483 -9.884 1.00 0.00 C ATOM 673 C ASN A 42 4.394 -4.306 -8.589 1.00 0.00 C ATOM 674 O ASN A 42 4.044 -3.767 -7.537 1.00 0.00 O ATOM 675 CB ASN A 42 5.911 -2.865 -10.027 1.00 0.00 C ATOM 676 CG ASN A 42 7.027 -3.911 -10.132 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.831 -4.981 -10.701 1.00 0.00 O ATOM 678 ND2 ASN A 42 8.196 -3.618 -9.585 1.00 0.00 N ATOM 0 H ASN A 42 3.416 -1.907 -8.995 1.00 0.00 H new ATOM 0 HA ASN A 42 4.307 -4.143 -10.732 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.935 -2.230 -10.913 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.107 -2.222 -9.169 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.963 -4.289 -9.630 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.330 -2.721 -9.119 1.00 0.00 H new ATOM 685 N VAL A 43 4.682 -5.621 -8.678 1.00 0.00 N ATOM 686 CA VAL A 43 4.667 -6.544 -7.520 1.00 0.00 C ATOM 687 C VAL A 43 6.017 -7.255 -7.345 1.00 0.00 C ATOM 688 O VAL A 43 6.302 -7.761 -6.248 1.00 0.00 O ATOM 689 CB VAL A 43 3.532 -7.633 -7.661 1.00 0.00 C ATOM 690 CG1 VAL A 43 2.149 -6.982 -7.908 1.00 0.00 C ATOM 691 CG2 VAL A 43 3.859 -8.668 -8.766 1.00 0.00 C ATOM 0 H VAL A 43 4.932 -6.075 -9.556 1.00 0.00 H new ATOM 0 HA VAL A 43 4.469 -5.930 -6.641 1.00 0.00 H new ATOM 0 HB VAL A 43 3.488 -8.168 -6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.392 -7.760 -8.000 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.899 -6.330 -7.071 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.181 -6.397 -8.827 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.053 -9.399 -8.830 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.963 -8.158 -9.723 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.792 -9.177 -8.523 1.00 0.00 H new ATOM 701 N VAL A 44 6.835 -7.326 -8.435 1.00 0.00 N ATOM 702 CA VAL A 44 8.078 -8.121 -8.432 1.00 0.00 C ATOM 703 C VAL A 44 9.156 -7.455 -7.527 1.00 0.00 C ATOM 704 O VAL A 44 9.928 -6.577 -7.933 1.00 0.00 O ATOM 705 CB VAL A 44 8.610 -8.454 -9.889 1.00 0.00 C ATOM 706 CG1 VAL A 44 8.991 -7.206 -10.723 1.00 0.00 C ATOM 707 CG2 VAL A 44 9.780 -9.469 -9.845 1.00 0.00 C ATOM 0 H VAL A 44 6.650 -6.843 -9.314 1.00 0.00 H new ATOM 0 HA VAL A 44 7.840 -9.092 -7.997 1.00 0.00 H new ATOM 0 HB VAL A 44 7.766 -8.911 -10.406 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.345 -7.519 -11.705 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.117 -6.565 -10.839 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.780 -6.654 -10.212 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.121 -9.675 -10.860 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.602 -9.052 -9.264 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.441 -10.395 -9.381 1.00 0.00 H new ATOM 717 N GLU A 45 9.121 -7.857 -6.256 1.00 0.00 N ATOM 718 CA GLU A 45 10.045 -7.410 -5.206 1.00 0.00 C ATOM 719 C GLU A 45 11.258 -8.361 -5.215 1.00 0.00 C ATOM 720 O GLU A 45 11.185 -9.437 -5.832 1.00 0.00 O ATOM 721 CB GLU A 45 9.270 -7.437 -3.842 1.00 0.00 C ATOM 722 CG GLU A 45 9.673 -6.363 -2.804 1.00 0.00 C ATOM 723 CD GLU A 45 11.033 -6.587 -2.138 1.00 0.00 C ATOM 724 OE1 GLU A 45 11.144 -7.489 -1.283 1.00 0.00 O ATOM 725 OE2 GLU A 45 12.004 -5.864 -2.451 1.00 0.00 O ATOM 0 H GLU A 45 8.428 -8.524 -5.915 1.00 0.00 H new ATOM 0 HA GLU A 45 10.409 -6.395 -5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.206 -7.329 -4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.408 -8.419 -3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.681 -5.390 -3.295 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.908 -6.323 -2.029 1.00 0.00 H new ATOM 732 N ASN A 46 12.374 -7.966 -4.568 1.00 0.00 N ATOM 733 CA ASN A 46 13.556 -8.836 -4.422 1.00 0.00 C ATOM 734 C ASN A 46 13.219 -9.999 -3.465 1.00 0.00 C ATOM 735 O ASN A 46 13.420 -9.913 -2.247 1.00 0.00 O ATOM 736 CB ASN A 46 14.814 -8.042 -3.946 1.00 0.00 C ATOM 737 CG ASN A 46 16.139 -8.847 -4.001 1.00 0.00 C ATOM 738 OD1 ASN A 46 16.174 -10.074 -3.862 1.00 0.00 O ATOM 739 ND2 ASN A 46 17.242 -8.152 -4.206 1.00 0.00 N ATOM 0 H ASN A 46 12.480 -7.047 -4.138 1.00 0.00 H new ATOM 0 HA ASN A 46 13.810 -9.244 -5.400 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.920 -7.149 -4.562 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.650 -7.705 -2.922 1.00 0.00 H new ATOM 0 HD21 ASN A 46 18.143 -8.627 -4.252 1.00 0.00 H new ATOM 0 HD22 ASN A 46 17.193 -7.139 -4.319 1.00 0.00 H new ATOM 746 N THR A 47 12.635 -11.058 -4.043 1.00 0.00 N ATOM 747 CA THR A 47 12.306 -12.301 -3.345 1.00 0.00 C ATOM 748 C THR A 47 13.048 -13.459 -4.042 1.00 0.00 C ATOM 749 O THR A 47 12.817 -13.734 -5.229 1.00 0.00 O ATOM 750 CB THR A 47 10.750 -12.540 -3.280 1.00 0.00 C ATOM 751 OG1 THR A 47 10.471 -13.805 -2.663 1.00 0.00 O ATOM 752 CG2 THR A 47 10.062 -12.477 -4.657 1.00 0.00 C ATOM 0 H THR A 47 12.374 -11.071 -5.029 1.00 0.00 H new ATOM 0 HA THR A 47 12.635 -12.239 -2.308 1.00 0.00 H new ATOM 0 HB THR A 47 10.340 -11.725 -2.683 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.502 -13.944 -2.625 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.992 -12.650 -4.538 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.223 -11.494 -5.100 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.483 -13.242 -5.309 1.00 0.00 H new ATOM 760 N ALA A 48 14.003 -14.066 -3.298 1.00 0.00 N ATOM 761 CA ALA A 48 14.916 -15.118 -3.801 1.00 0.00 C ATOM 762 C ALA A 48 15.796 -14.610 -4.970 1.00 0.00 C ATOM 763 O ALA A 48 16.372 -15.418 -5.712 1.00 0.00 O ATOM 764 CB ALA A 48 14.120 -16.385 -4.192 1.00 0.00 C ATOM 0 H ALA A 48 14.162 -13.835 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 48 15.597 -15.383 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.807 -17.147 -4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.589 -16.765 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.402 -16.137 -4.974 1.00 0.00 H new ATOM 770 N ASN A 49 15.942 -13.258 -5.057 1.00 0.00 N ATOM 771 CA ASN A 49 16.555 -12.549 -6.197 1.00 0.00 C ATOM 772 C ASN A 49 15.818 -12.903 -7.520 1.00 0.00 C ATOM 773 O ASN A 49 16.120 -13.936 -8.131 1.00 0.00 O ATOM 774 CB ASN A 49 18.084 -12.817 -6.317 1.00 0.00 C ATOM 775 CG ASN A 49 18.885 -12.300 -5.121 1.00 0.00 C ATOM 776 OD1 ASN A 49 19.124 -13.023 -4.152 1.00 0.00 O ATOM 777 ND2 ASN A 49 19.281 -11.035 -5.162 1.00 0.00 N ATOM 0 H ASN A 49 15.629 -12.627 -4.319 1.00 0.00 H new ATOM 0 HA ASN A 49 16.442 -11.481 -6.009 1.00 0.00 H new ATOM 0 HB2 ASN A 49 18.251 -13.889 -6.421 1.00 0.00 H new ATOM 0 HB3 ASN A 49 18.458 -12.347 -7.226 1.00 0.00 H new ATOM 0 HD21 ASN A 49 19.798 -10.637 -4.378 1.00 0.00 H new ATOM 0 HD22 ASN A 49 19.069 -10.460 -5.978 1.00 0.00 H new ATOM 784 N PRO A 50 14.833 -12.054 -7.963 1.00 0.00 N ATOM 785 CA PRO A 50 13.964 -12.349 -9.133 1.00 0.00 C ATOM 786 C PRO A 50 14.765 -12.548 -10.441 1.00 0.00 C ATOM 787 O PRO A 50 15.503 -11.656 -10.873 1.00 0.00 O ATOM 788 CB PRO A 50 13.012 -11.123 -9.205 1.00 0.00 C ATOM 789 CG PRO A 50 13.720 -10.039 -8.455 1.00 0.00 C ATOM 790 CD PRO A 50 14.490 -10.742 -7.364 1.00 0.00 C ATOM 0 HA PRO A 50 13.427 -13.291 -9.018 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.823 -10.830 -10.238 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.045 -11.347 -8.755 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.389 -9.480 -9.110 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.012 -9.323 -8.037 1.00 0.00 H new ATOM 0 HD2 PRO A 50 15.384 -10.185 -7.082 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.889 -10.859 -6.462 1.00 0.00 H new ATOM 798 N HIS A 51 14.631 -13.748 -11.037 1.00 0.00 N ATOM 799 CA HIS A 51 15.340 -14.130 -12.271 1.00 0.00 C ATOM 800 C HIS A 51 14.398 -14.952 -13.179 1.00 0.00 C ATOM 801 O HIS A 51 14.100 -16.113 -12.884 1.00 0.00 O ATOM 802 CB HIS A 51 16.659 -14.905 -11.936 1.00 0.00 C ATOM 803 CG HIS A 51 16.488 -16.233 -11.228 1.00 0.00 C ATOM 804 ND1 HIS A 51 16.487 -17.441 -11.893 1.00 0.00 N ATOM 805 CD2 HIS A 51 16.272 -16.541 -9.925 1.00 0.00 C ATOM 806 CE1 HIS A 51 16.290 -18.417 -11.036 1.00 0.00 C ATOM 807 NE2 HIS A 51 16.149 -17.897 -9.840 1.00 0.00 N ATOM 0 H HIS A 51 14.024 -14.483 -10.673 1.00 0.00 H new ATOM 0 HA HIS A 51 15.631 -13.231 -12.814 1.00 0.00 H new ATOM 0 HB2 HIS A 51 17.201 -15.079 -12.866 1.00 0.00 H new ATOM 0 HB3 HIS A 51 17.286 -14.264 -11.317 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.209 -15.841 -9.105 1.00 0.00 H new ATOM 0 HE1 HIS A 51 16.251 -19.469 -11.276 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.975 -18.423 -8.983 1.00 0.00 H new ATOM 816 N PHE A 52 13.887 -14.301 -14.247 1.00 0.00 N ATOM 817 CA PHE A 52 12.949 -14.907 -15.225 1.00 0.00 C ATOM 818 C PHE A 52 11.679 -15.452 -14.503 1.00 0.00 C ATOM 819 O PHE A 52 11.045 -16.412 -14.947 1.00 0.00 O ATOM 820 CB PHE A 52 13.693 -16.002 -16.066 1.00 0.00 C ATOM 821 CG PHE A 52 12.915 -16.547 -17.276 1.00 0.00 C ATOM 822 CD1 PHE A 52 12.549 -15.703 -18.326 1.00 0.00 C ATOM 823 CD2 PHE A 52 12.582 -17.902 -17.374 1.00 0.00 C ATOM 824 CE1 PHE A 52 11.852 -16.191 -19.421 1.00 0.00 C ATOM 825 CE2 PHE A 52 11.885 -18.386 -18.468 1.00 0.00 C ATOM 826 CZ PHE A 52 11.531 -17.534 -19.496 1.00 0.00 C ATOM 0 H PHE A 52 14.115 -13.330 -14.459 1.00 0.00 H new ATOM 0 HA PHE A 52 12.601 -14.145 -15.923 1.00 0.00 H new ATOM 0 HB2 PHE A 52 14.636 -15.586 -16.420 1.00 0.00 H new ATOM 0 HB3 PHE A 52 13.939 -16.836 -15.408 1.00 0.00 H new ATOM 0 HD1 PHE A 52 12.812 -14.656 -18.285 1.00 0.00 H new ATOM 0 HD2 PHE A 52 12.873 -18.580 -16.585 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.559 -15.521 -20.216 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.618 -19.431 -18.518 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.004 -17.916 -20.358 1.00 0.00 H new ATOM 836 N VAL A 53 11.310 -14.800 -13.381 1.00 0.00 N ATOM 837 CA VAL A 53 10.201 -15.240 -12.523 1.00 0.00 C ATOM 838 C VAL A 53 8.844 -14.770 -13.104 1.00 0.00 C ATOM 839 O VAL A 53 8.578 -13.566 -13.229 1.00 0.00 O ATOM 840 CB VAL A 53 10.401 -14.762 -11.024 1.00 0.00 C ATOM 841 CG1 VAL A 53 10.532 -13.228 -10.899 1.00 0.00 C ATOM 842 CG2 VAL A 53 9.287 -15.295 -10.090 1.00 0.00 C ATOM 0 H VAL A 53 11.775 -13.955 -13.048 1.00 0.00 H new ATOM 0 HA VAL A 53 10.195 -16.330 -12.506 1.00 0.00 H new ATOM 0 HB VAL A 53 11.347 -15.194 -10.699 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.667 -12.959 -9.851 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.393 -12.888 -11.475 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.629 -12.753 -11.282 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.465 -14.943 -9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.319 -14.933 -10.435 1.00 0.00 H new ATOM 0 HG23 VAL A 53 9.292 -16.385 -10.102 1.00 0.00 H new ATOM 852 N ARG A 54 8.017 -15.743 -13.532 1.00 0.00 N ATOM 853 CA ARG A 54 6.641 -15.494 -13.988 1.00 0.00 C ATOM 854 C ARG A 54 5.690 -15.904 -12.864 1.00 0.00 C ATOM 855 O ARG A 54 5.222 -17.046 -12.815 1.00 0.00 O ATOM 856 CB ARG A 54 6.332 -16.264 -15.311 1.00 0.00 C ATOM 857 CG ARG A 54 4.968 -15.923 -15.981 1.00 0.00 C ATOM 858 CD ARG A 54 4.944 -14.546 -16.686 1.00 0.00 C ATOM 859 NE ARG A 54 5.140 -13.412 -15.756 1.00 0.00 N ATOM 860 CZ ARG A 54 6.043 -12.426 -15.898 1.00 0.00 C ATOM 861 NH1 ARG A 54 6.868 -12.391 -16.934 1.00 0.00 N ATOM 862 NH2 ARG A 54 6.110 -11.467 -14.986 1.00 0.00 N ATOM 0 H ARG A 54 8.288 -16.726 -13.570 1.00 0.00 H new ATOM 0 HA ARG A 54 6.510 -14.436 -14.213 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.129 -16.059 -16.025 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.358 -17.334 -15.103 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.728 -16.698 -16.709 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.186 -15.946 -15.222 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.723 -14.521 -17.448 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.991 -14.425 -17.201 1.00 0.00 H new ATOM 0 HE ARG A 54 4.537 -13.375 -14.934 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.826 -13.122 -17.644 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.545 -11.633 -17.021 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.480 -11.481 -14.184 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.792 -10.715 -15.086 1.00 0.00 H new ATOM 876 N ARG A 55 5.470 -14.977 -11.928 1.00 0.00 N ATOM 877 CA ARG A 55 4.689 -15.233 -10.714 1.00 0.00 C ATOM 878 C ARG A 55 4.304 -13.888 -10.081 1.00 0.00 C ATOM 879 O ARG A 55 5.126 -13.244 -9.411 1.00 0.00 O ATOM 880 CB ARG A 55 5.515 -16.118 -9.730 1.00 0.00 C ATOM 881 CG ARG A 55 4.778 -16.585 -8.461 1.00 0.00 C ATOM 882 CD ARG A 55 3.525 -17.427 -8.756 1.00 0.00 C ATOM 883 NE ARG A 55 2.976 -18.017 -7.521 1.00 0.00 N ATOM 884 CZ ARG A 55 1.732 -18.497 -7.360 1.00 0.00 C ATOM 885 NH1 ARG A 55 0.797 -18.329 -8.292 1.00 0.00 N ATOM 886 NH2 ARG A 55 1.424 -19.127 -6.236 1.00 0.00 N ATOM 0 H ARG A 55 5.830 -14.025 -11.991 1.00 0.00 H new ATOM 0 HA ARG A 55 3.776 -15.777 -10.956 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.862 -16.999 -10.269 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.401 -15.560 -9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.463 -17.170 -7.847 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.490 -15.712 -7.875 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.768 -16.803 -9.232 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.774 -18.220 -9.461 1.00 0.00 H new ATOM 0 HE ARG A 55 3.599 -18.065 -6.714 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.018 -17.826 -9.152 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.141 -18.703 -8.147 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.128 -19.242 -5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.483 -19.497 -6.100 1.00 0.00 H new ATOM 900 N ASN A 56 3.060 -13.449 -10.337 1.00 0.00 N ATOM 901 CA ASN A 56 2.514 -12.181 -9.815 1.00 0.00 C ATOM 902 C ASN A 56 1.894 -12.439 -8.420 1.00 0.00 C ATOM 903 O ASN A 56 0.707 -12.168 -8.176 1.00 0.00 O ATOM 904 CB ASN A 56 1.464 -11.607 -10.827 1.00 0.00 C ATOM 905 CG ASN A 56 1.065 -10.144 -10.551 1.00 0.00 C ATOM 906 OD1 ASN A 56 1.662 -9.204 -11.095 1.00 0.00 O ATOM 907 ND2 ASN A 56 0.046 -9.932 -9.732 1.00 0.00 N ATOM 0 H ASN A 56 2.399 -13.967 -10.916 1.00 0.00 H new ATOM 0 HA ASN A 56 3.304 -11.438 -9.704 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.870 -11.678 -11.836 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.569 -12.229 -10.799 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.262 -8.979 -9.538 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.430 -10.721 -9.296 1.00 0.00 H new ATOM 914 N ILE A 57 2.699 -13.014 -7.509 1.00 0.00 N ATOM 915 CA ILE A 57 2.239 -13.325 -6.156 1.00 0.00 C ATOM 916 C ILE A 57 2.632 -12.169 -5.228 1.00 0.00 C ATOM 917 O ILE A 57 3.806 -11.768 -5.147 1.00 0.00 O ATOM 918 CB ILE A 57 2.783 -14.714 -5.619 1.00 0.00 C ATOM 919 CG1 ILE A 57 2.061 -15.137 -4.294 1.00 0.00 C ATOM 920 CG2 ILE A 57 4.321 -14.714 -5.421 1.00 0.00 C ATOM 921 CD1 ILE A 57 0.557 -15.336 -4.425 1.00 0.00 C ATOM 0 H ILE A 57 3.669 -13.270 -7.691 1.00 0.00 H new ATOM 0 HA ILE A 57 1.155 -13.432 -6.178 1.00 0.00 H new ATOM 0 HB ILE A 57 2.555 -15.450 -6.390 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.506 -16.064 -3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.249 -14.377 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.640 -15.689 -5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.810 -14.508 -6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.595 -13.945 -4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.143 -15.627 -3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.094 -14.405 -4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.356 -16.118 -5.157 1.00 0.00 H new ATOM 933 N ILE A 58 1.623 -11.585 -4.598 1.00 0.00 N ATOM 934 CA ILE A 58 1.802 -10.565 -3.567 1.00 0.00 C ATOM 935 C ILE A 58 1.797 -11.282 -2.218 1.00 0.00 C ATOM 936 O ILE A 58 0.920 -12.118 -1.968 1.00 0.00 O ATOM 937 CB ILE A 58 0.659 -9.478 -3.664 1.00 0.00 C ATOM 938 CG1 ILE A 58 0.628 -8.877 -5.113 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.845 -8.365 -2.599 1.00 0.00 C ATOM 940 CD1 ILE A 58 -0.444 -7.834 -5.374 1.00 0.00 C ATOM 0 H ILE A 58 0.646 -11.806 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 58 2.744 -10.033 -3.696 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.298 -9.958 -3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.600 -8.431 -5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.493 -9.694 -5.822 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.042 -7.634 -2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.819 -8.807 -1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.805 -7.872 -2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.372 -7.489 -6.405 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.427 -8.273 -5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.303 -6.990 -4.698 1.00 0.00 H new ATOM 952 N THR A 59 2.799 -11.002 -1.375 1.00 0.00 N ATOM 953 CA THR A 59 2.965 -11.666 -0.067 1.00 0.00 C ATOM 954 C THR A 59 2.846 -10.638 1.061 1.00 0.00 C ATOM 955 O THR A 59 2.997 -9.431 0.828 1.00 0.00 O ATOM 956 CB THR A 59 4.346 -12.407 0.001 1.00 0.00 C ATOM 957 OG1 THR A 59 5.413 -11.464 -0.210 1.00 0.00 O ATOM 958 CG2 THR A 59 4.454 -13.539 -1.044 1.00 0.00 C ATOM 0 H THR A 59 3.520 -10.309 -1.577 1.00 0.00 H new ATOM 0 HA THR A 59 2.176 -12.408 0.054 1.00 0.00 H new ATOM 0 HB THR A 59 4.425 -12.857 0.990 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.274 -11.929 -0.165 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.427 -14.022 -0.958 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.668 -14.273 -0.868 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.343 -13.122 -2.045 1.00 0.00 H new ATOM 966 N ARG A 60 2.546 -11.120 2.278 1.00 0.00 N ATOM 967 CA ARG A 60 2.343 -10.252 3.444 1.00 0.00 C ATOM 968 C ARG A 60 3.702 -9.711 3.945 1.00 0.00 C ATOM 969 O ARG A 60 4.561 -10.474 4.388 1.00 0.00 O ATOM 970 CB ARG A 60 1.583 -11.023 4.556 1.00 0.00 C ATOM 971 CG ARG A 60 1.134 -10.157 5.750 1.00 0.00 C ATOM 972 CD ARG A 60 0.288 -10.966 6.740 1.00 0.00 C ATOM 973 NE ARG A 60 -0.228 -10.143 7.844 1.00 0.00 N ATOM 974 CZ ARG A 60 -0.894 -10.618 8.913 1.00 0.00 C ATOM 975 NH1 ARG A 60 -1.132 -11.921 9.052 1.00 0.00 N ATOM 976 NH2 ARG A 60 -1.322 -9.783 9.844 1.00 0.00 N ATOM 0 H ARG A 60 2.439 -12.114 2.478 1.00 0.00 H new ATOM 0 HA ARG A 60 1.731 -9.396 3.159 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.704 -11.495 4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.223 -11.824 4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.010 -9.756 6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.558 -9.305 5.388 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.548 -11.423 6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.889 -11.779 7.147 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.069 -9.137 7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.808 -12.577 8.342 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.638 -12.263 9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.147 -8.782 9.751 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.827 -10.139 10.655 1.00 0.00 H new ATOM 990 N GLY A 61 3.863 -8.385 3.848 1.00 0.00 N ATOM 991 CA GLY A 61 5.104 -7.688 4.217 1.00 0.00 C ATOM 992 C GLY A 61 5.947 -7.308 3.010 1.00 0.00 C ATOM 993 O GLY A 61 7.064 -6.809 3.169 1.00 0.00 O ATOM 0 H GLY A 61 3.131 -7.761 3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.856 -6.788 4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.691 -8.326 4.878 1.00 0.00 H new ATOM 997 N ALA A 62 5.402 -7.535 1.800 1.00 0.00 N ATOM 998 CA ALA A 62 6.102 -7.244 0.532 1.00 0.00 C ATOM 999 C ALA A 62 6.034 -5.750 0.197 1.00 0.00 C ATOM 1000 O ALA A 62 5.197 -5.020 0.739 1.00 0.00 O ATOM 1001 CB ALA A 62 5.509 -8.079 -0.616 1.00 0.00 C ATOM 0 H ALA A 62 4.468 -7.924 1.673 1.00 0.00 H new ATOM 0 HA ALA A 62 7.150 -7.517 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.037 -7.851 -1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.617 -9.139 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.452 -7.839 -0.733 1.00 0.00 H new ATOM 1007 N VAL A 63 6.920 -5.304 -0.704 1.00 0.00 N ATOM 1008 CA VAL A 63 6.910 -3.925 -1.214 1.00 0.00 C ATOM 1009 C VAL A 63 6.302 -3.941 -2.625 1.00 0.00 C ATOM 1010 O VAL A 63 6.904 -4.469 -3.568 1.00 0.00 O ATOM 1011 CB VAL A 63 8.350 -3.292 -1.250 1.00 0.00 C ATOM 1012 CG1 VAL A 63 8.330 -1.841 -1.779 1.00 0.00 C ATOM 1013 CG2 VAL A 63 9.022 -3.357 0.135 1.00 0.00 C ATOM 0 H VAL A 63 7.660 -5.885 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 63 6.315 -3.307 -0.542 1.00 0.00 H new ATOM 0 HB VAL A 63 8.941 -3.887 -1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.345 -1.443 -1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.927 -1.828 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.704 -1.226 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.016 -2.912 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.419 -2.808 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.108 -4.397 0.449 1.00 0.00 H new ATOM 1023 N VAL A 64 5.101 -3.374 -2.749 1.00 0.00 N ATOM 1024 CA VAL A 64 4.415 -3.227 -4.035 1.00 0.00 C ATOM 1025 C VAL A 64 4.485 -1.757 -4.469 1.00 0.00 C ATOM 1026 O VAL A 64 4.395 -0.852 -3.633 1.00 0.00 O ATOM 1027 CB VAL A 64 2.914 -3.719 -3.976 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.843 -5.241 -3.707 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.079 -2.933 -2.930 1.00 0.00 C ATOM 0 H VAL A 64 4.575 -3.002 -1.958 1.00 0.00 H new ATOM 0 HA VAL A 64 4.919 -3.859 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 64 2.473 -3.519 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.800 -5.556 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.356 -5.776 -4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.323 -5.465 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.055 -3.307 -2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.517 -3.065 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.077 -1.874 -3.187 1.00 0.00 H new ATOM 1039 N GLU A 65 4.652 -1.526 -5.769 1.00 0.00 N ATOM 1040 CA GLU A 65 4.662 -0.172 -6.336 1.00 0.00 C ATOM 1041 C GLU A 65 3.233 0.157 -6.763 1.00 0.00 C ATOM 1042 O GLU A 65 2.559 -0.690 -7.352 1.00 0.00 O ATOM 1043 CB GLU A 65 5.629 -0.078 -7.538 1.00 0.00 C ATOM 1044 CG GLU A 65 5.589 1.276 -8.277 1.00 0.00 C ATOM 1045 CD GLU A 65 6.600 1.362 -9.425 1.00 0.00 C ATOM 1046 OE1 GLU A 65 7.755 1.768 -9.183 1.00 0.00 O ATOM 1047 OE2 GLU A 65 6.252 1.000 -10.577 1.00 0.00 O ATOM 0 H GLU A 65 4.784 -2.265 -6.459 1.00 0.00 H new ATOM 0 HA GLU A 65 5.013 0.544 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.645 -0.258 -7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.390 -0.872 -8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.586 1.439 -8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.786 2.078 -7.566 1.00 0.00 H new ATOM 1054 N THR A 66 2.775 1.362 -6.430 1.00 0.00 N ATOM 1055 CA THR A 66 1.440 1.861 -6.791 1.00 0.00 C ATOM 1056 C THR A 66 1.584 3.250 -7.422 1.00 0.00 C ATOM 1057 O THR A 66 2.705 3.765 -7.552 1.00 0.00 O ATOM 1058 CB THR A 66 0.493 1.937 -5.538 1.00 0.00 C ATOM 1059 OG1 THR A 66 0.971 2.922 -4.601 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.368 0.581 -4.818 1.00 0.00 C ATOM 0 H THR A 66 3.325 2.033 -5.894 1.00 0.00 H new ATOM 0 HA THR A 66 0.990 1.168 -7.501 1.00 0.00 H new ATOM 0 HB THR A 66 -0.492 2.220 -5.909 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.908 2.737 -4.382 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.296 0.685 -3.960 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.040 -0.160 -5.505 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.352 0.257 -4.478 1.00 0.00 H new ATOM 1068 N ASN A 67 0.454 3.860 -7.815 1.00 0.00 N ATOM 1069 CA ASN A 67 0.438 5.243 -8.340 1.00 0.00 C ATOM 1070 C ASN A 67 0.589 6.282 -7.198 1.00 0.00 C ATOM 1071 O ASN A 67 0.620 7.490 -7.457 1.00 0.00 O ATOM 1072 CB ASN A 67 -0.845 5.496 -9.180 1.00 0.00 C ATOM 1073 CG ASN A 67 -2.163 5.362 -8.400 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -2.254 4.623 -7.423 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -3.196 6.054 -8.848 1.00 0.00 N ATOM 0 H ASN A 67 -0.465 3.419 -7.780 1.00 0.00 H new ATOM 0 HA ASN A 67 1.297 5.366 -8.999 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.792 6.498 -9.606 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.860 4.795 -10.015 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.099 5.982 -8.380 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.090 6.660 -9.662 1.00 0.00 H new ATOM 1082 N LEU A 68 0.678 5.799 -5.935 1.00 0.00 N ATOM 1083 CA LEU A 68 1.004 6.633 -4.759 1.00 0.00 C ATOM 1084 C LEU A 68 2.448 6.364 -4.269 1.00 0.00 C ATOM 1085 O LEU A 68 2.961 7.099 -3.417 1.00 0.00 O ATOM 1086 CB LEU A 68 -0.017 6.375 -3.616 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.511 6.741 -3.932 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.427 6.494 -2.705 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.648 8.203 -4.435 1.00 0.00 C ATOM 0 H LEU A 68 0.525 4.817 -5.706 1.00 0.00 H new ATOM 0 HA LEU A 68 0.940 7.680 -5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.029 5.320 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.298 6.942 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.838 6.081 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.454 6.758 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.382 5.442 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.090 7.108 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.696 8.419 -4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.281 8.887 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.063 8.331 -5.346 1.00 0.00 H new ATOM 1101 N GLY A 69 3.104 5.323 -4.827 1.00 0.00 N ATOM 1102 CA GLY A 69 4.483 4.954 -4.454 1.00 0.00 C ATOM 1103 C GLY A 69 4.594 3.532 -3.910 1.00 0.00 C ATOM 1104 O GLY A 69 3.674 2.729 -4.063 1.00 0.00 O ATOM 0 H GLY A 69 2.695 4.721 -5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.129 5.055 -5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.850 5.654 -3.703 1.00 0.00 H new ATOM 1108 N ASN A 70 5.739 3.213 -3.283 1.00 0.00 N ATOM 1109 CA ASN A 70 5.993 1.878 -2.699 1.00 0.00 C ATOM 1110 C ASN A 70 5.258 1.722 -1.353 1.00 0.00 C ATOM 1111 O ASN A 70 5.209 2.661 -0.548 1.00 0.00 O ATOM 1112 CB ASN A 70 7.510 1.633 -2.532 1.00 0.00 C ATOM 1113 CG ASN A 70 8.250 1.567 -3.877 1.00 0.00 C ATOM 1114 OD1 ASN A 70 8.744 2.572 -4.374 1.00 0.00 O ATOM 1115 ND2 ASN A 70 8.318 0.389 -4.482 1.00 0.00 N ATOM 0 H ASN A 70 6.513 3.867 -3.165 1.00 0.00 H new ATOM 0 HA ASN A 70 5.604 1.126 -3.385 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.938 2.430 -1.925 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.666 0.700 -1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.790 0.305 -5.382 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.899 -0.433 -4.047 1.00 0.00 H new ATOM 1122 N VAL A 71 4.653 0.537 -1.142 1.00 0.00 N ATOM 1123 CA VAL A 71 3.758 0.239 -0.003 1.00 0.00 C ATOM 1124 C VAL A 71 4.124 -1.127 0.634 1.00 0.00 C ATOM 1125 O VAL A 71 4.474 -2.065 -0.090 1.00 0.00 O ATOM 1126 CB VAL A 71 2.263 0.193 -0.530 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.243 -0.086 0.589 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.895 1.485 -1.296 1.00 0.00 C ATOM 0 H VAL A 71 4.774 -0.257 -1.771 1.00 0.00 H new ATOM 0 HA VAL A 71 3.869 1.015 0.755 1.00 0.00 H new ATOM 0 HB VAL A 71 2.211 -0.647 -1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.238 -0.106 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.463 -1.049 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.306 0.699 1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.864 1.421 -1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.002 2.344 -0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.560 1.602 -2.152 1.00 0.00 H new ATOM 1138 N ARG A 72 4.040 -1.227 1.988 1.00 0.00 N ATOM 1139 CA ARG A 72 4.164 -2.522 2.705 1.00 0.00 C ATOM 1140 C ARG A 72 2.794 -3.182 2.722 1.00 0.00 C ATOM 1141 O ARG A 72 1.819 -2.523 3.062 1.00 0.00 O ATOM 1142 CB ARG A 72 4.643 -2.379 4.189 1.00 0.00 C ATOM 1143 CG ARG A 72 6.146 -2.136 4.392 1.00 0.00 C ATOM 1144 CD ARG A 72 7.033 -3.271 3.851 1.00 0.00 C ATOM 1145 NE ARG A 72 8.466 -2.938 3.975 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.480 -3.720 3.568 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.250 -4.932 3.081 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.733 -3.285 3.650 1.00 0.00 N ATOM 0 H ARG A 72 3.887 -0.427 2.602 1.00 0.00 H new ATOM 0 HA ARG A 72 4.916 -3.109 2.177 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.097 -1.555 4.648 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.366 -3.285 4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.424 -1.204 3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.344 -2.007 5.456 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.823 -4.191 4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.790 -3.458 2.805 1.00 0.00 H new ATOM 0 HE ARG A 72 8.705 -2.044 4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.294 -5.281 3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.029 -5.515 2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.927 -2.355 4.023 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.501 -3.881 3.340 1.00 0.00 H new ATOM 1162 N VAL A 73 2.729 -4.466 2.375 1.00 0.00 N ATOM 1163 CA VAL A 73 1.498 -5.256 2.496 1.00 0.00 C ATOM 1164 C VAL A 73 1.306 -5.629 3.983 1.00 0.00 C ATOM 1165 O VAL A 73 2.030 -6.465 4.520 1.00 0.00 O ATOM 1166 CB VAL A 73 1.559 -6.531 1.582 1.00 0.00 C ATOM 1167 CG1 VAL A 73 0.236 -7.327 1.628 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.929 -6.142 0.129 1.00 0.00 C ATOM 0 H VAL A 73 3.522 -4.989 2.004 1.00 0.00 H new ATOM 0 HA VAL A 73 0.643 -4.671 2.158 1.00 0.00 H new ATOM 0 HB VAL A 73 2.341 -7.184 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.315 -8.202 0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.039 -7.647 2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.581 -6.694 1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.966 -7.039 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.178 -5.459 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.904 -5.654 0.120 1.00 0.00 H new ATOM 1178 N THR A 74 0.345 -4.981 4.652 1.00 0.00 N ATOM 1179 CA THR A 74 0.177 -5.092 6.117 1.00 0.00 C ATOM 1180 C THR A 74 -0.874 -6.147 6.460 1.00 0.00 C ATOM 1181 O THR A 74 -0.792 -6.836 7.492 1.00 0.00 O ATOM 1182 CB THR A 74 -0.227 -3.718 6.727 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.457 -3.261 6.131 1.00 0.00 O ATOM 1184 CG2 THR A 74 0.869 -2.663 6.511 1.00 0.00 C ATOM 0 H THR A 74 -0.336 -4.368 4.203 1.00 0.00 H new ATOM 0 HA THR A 74 1.131 -5.398 6.546 1.00 0.00 H new ATOM 0 HB THR A 74 -0.362 -3.855 7.800 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.707 -2.397 6.519 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.554 -1.716 6.949 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.792 -2.994 6.987 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.040 -2.529 5.443 1.00 0.00 H new ATOM 1192 N SER A 75 -1.868 -6.263 5.572 1.00 0.00 N ATOM 1193 CA SER A 75 -2.916 -7.282 5.663 1.00 0.00 C ATOM 1194 C SER A 75 -2.485 -8.514 4.852 1.00 0.00 C ATOM 1195 O SER A 75 -1.433 -8.497 4.198 1.00 0.00 O ATOM 1196 CB SER A 75 -4.247 -6.705 5.126 1.00 0.00 C ATOM 1197 OG SER A 75 -5.334 -7.590 5.360 1.00 0.00 O ATOM 0 H SER A 75 -1.967 -5.647 4.765 1.00 0.00 H new ATOM 0 HA SER A 75 -3.066 -7.578 6.701 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.448 -5.747 5.605 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.156 -6.514 4.057 1.00 0.00 H new ATOM 0 HG SER A 75 -6.159 -7.194 5.010 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.283 -9.582 4.928 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.118 -10.762 4.076 1.00 0.00 C ATOM 1205 C ARG A 76 -3.644 -10.425 2.662 1.00 0.00 C ATOM 1206 O ARG A 76 -4.832 -10.129 2.506 1.00 0.00 O ATOM 1207 CB ARG A 76 -3.853 -11.969 4.712 1.00 0.00 C ATOM 1208 CG ARG A 76 -3.224 -12.408 6.056 1.00 0.00 C ATOM 1209 CD ARG A 76 -4.024 -13.497 6.781 1.00 0.00 C ATOM 1210 NE ARG A 76 -4.073 -14.762 6.033 1.00 0.00 N ATOM 1211 CZ ARG A 76 -4.916 -15.768 6.293 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -5.858 -15.648 7.227 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -4.826 -16.889 5.600 1.00 0.00 N ATOM 0 H ARG A 76 -4.062 -9.653 5.582 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.068 -11.039 3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.899 -11.709 4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.836 -12.808 4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.213 -12.773 5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.136 -11.539 6.708 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.580 -13.676 7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.040 -13.142 6.952 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.417 -14.881 5.261 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.944 -14.780 7.756 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.493 -16.424 7.413 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.117 -16.983 4.872 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.465 -17.660 5.792 1.00 0.00 H new ATOM 1227 N PRO A 77 -2.746 -10.405 1.623 1.00 0.00 N ATOM 1228 CA PRO A 77 -3.086 -9.931 0.257 1.00 0.00 C ATOM 1229 C PRO A 77 -4.184 -10.781 -0.424 1.00 0.00 C ATOM 1230 O PRO A 77 -3.972 -11.961 -0.739 1.00 0.00 O ATOM 1231 CB PRO A 77 -1.736 -10.008 -0.498 1.00 0.00 C ATOM 1232 CG PRO A 77 -0.939 -11.021 0.262 1.00 0.00 C ATOM 1233 CD PRO A 77 -1.330 -10.846 1.704 1.00 0.00 C ATOM 0 HA PRO A 77 -3.513 -8.928 0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.878 -10.312 -1.535 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.235 -9.040 -0.515 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.158 -12.031 -0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.130 -10.862 0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.230 -11.776 2.264 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.706 -10.105 2.203 1.00 0.00 H new ATOM 1241 N GLY A 78 -5.356 -10.150 -0.634 1.00 0.00 N ATOM 1242 CA GLY A 78 -6.506 -10.808 -1.245 1.00 0.00 C ATOM 1243 C GLY A 78 -7.254 -11.691 -0.260 1.00 0.00 C ATOM 1244 O GLY A 78 -7.728 -12.768 -0.626 1.00 0.00 O ATOM 0 H GLY A 78 -5.522 -9.175 -0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.185 -10.054 -1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.171 -11.411 -2.089 1.00 0.00 H new ATOM 1248 N GLN A 79 -7.339 -11.230 1.005 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.043 -11.952 2.086 1.00 0.00 C ATOM 1250 C GLN A 79 -9.563 -11.903 1.847 1.00 0.00 C ATOM 1251 O GLN A 79 -10.249 -12.929 1.881 1.00 0.00 O ATOM 1252 CB GLN A 79 -7.668 -11.333 3.466 1.00 0.00 C ATOM 1253 CG GLN A 79 -8.264 -12.056 4.699 1.00 0.00 C ATOM 1254 CD GLN A 79 -7.806 -13.515 4.851 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -6.704 -13.879 4.455 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -8.649 -14.358 5.420 1.00 0.00 N ATOM 0 H GLN A 79 -6.923 -10.349 1.306 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.735 -12.998 2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.582 -11.326 3.559 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.996 -10.294 3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.990 -11.504 5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.352 -12.033 4.630 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.560 -14.030 5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.389 -15.337 5.539 1.00 0.00 H new ATOM 1265 N ASP A 80 -10.075 -10.689 1.596 1.00 0.00 N ATOM 1266 CA ASP A 80 -11.496 -10.450 1.250 1.00 0.00 C ATOM 1267 C ASP A 80 -11.550 -9.763 -0.121 1.00 0.00 C ATOM 1268 O ASP A 80 -12.080 -8.652 -0.261 1.00 0.00 O ATOM 1269 CB ASP A 80 -12.187 -9.576 2.343 1.00 0.00 C ATOM 1270 CG ASP A 80 -12.230 -10.248 3.723 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -11.263 -10.106 4.505 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -13.235 -10.923 4.037 1.00 0.00 O ATOM 0 H ASP A 80 -9.516 -9.836 1.626 1.00 0.00 H new ATOM 0 HA ASP A 80 -12.034 -11.397 1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.659 -8.626 2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.205 -9.348 2.026 1.00 0.00 H new ATOM 1277 N GLY A 81 -10.938 -10.414 -1.132 1.00 0.00 N ATOM 1278 CA GLY A 81 -10.779 -9.834 -2.480 1.00 0.00 C ATOM 1279 C GLY A 81 -9.841 -8.618 -2.569 1.00 0.00 C ATOM 1280 O GLY A 81 -9.398 -8.260 -3.663 1.00 0.00 O ATOM 0 H GLY A 81 -10.543 -11.350 -1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.405 -10.609 -3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.762 -9.541 -2.849 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.540 -7.985 -1.419 1.00 0.00 N ATOM 1285 CA VAL A 82 -8.810 -6.723 -1.343 1.00 0.00 C ATOM 1286 C VAL A 82 -7.512 -6.892 -0.536 1.00 0.00 C ATOM 1287 O VAL A 82 -7.401 -7.778 0.328 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.724 -5.611 -0.695 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -10.117 -5.948 0.766 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -9.077 -4.213 -0.779 1.00 0.00 C ATOM 0 H VAL A 82 -9.806 -8.350 -0.505 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.541 -6.414 -2.353 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.641 -5.592 -1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.745 -5.152 1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.666 -6.889 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.216 -6.039 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.739 -3.478 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.124 -4.221 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.911 -3.951 -1.824 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.521 -6.053 -0.876 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.244 -5.954 -0.157 1.00 0.00 C ATOM 1302 C ILE A 83 -5.208 -4.613 0.598 1.00 0.00 C ATOM 1303 O ILE A 83 -5.731 -3.609 0.101 1.00 0.00 O ATOM 1304 CB ILE A 83 -4.048 -6.024 -1.186 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.254 -7.224 -2.169 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.681 -6.130 -0.460 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.236 -7.336 -3.280 1.00 0.00 C ATOM 0 H ILE A 83 -6.587 -5.416 -1.670 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.148 -6.779 0.549 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.039 -5.098 -1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.241 -8.149 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.245 -7.140 -2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.880 -6.176 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.538 -5.257 0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.663 -7.032 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.470 -8.199 -3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.261 -6.432 -3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.241 -7.457 -2.851 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.620 -4.597 1.804 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.376 -3.349 2.566 1.00 0.00 C ATOM 1321 C ASN A 84 -2.889 -3.237 2.907 1.00 0.00 C ATOM 1322 O ASN A 84 -2.187 -4.255 3.044 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.237 -3.280 3.863 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.730 -2.998 3.625 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.317 -3.413 2.627 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.353 -2.276 4.547 1.00 0.00 N ATOM 0 H ASN A 84 -4.300 -5.440 2.281 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.672 -2.509 1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.140 -4.224 4.399 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.833 -2.503 4.511 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.342 -2.053 4.438 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.843 -1.944 5.365 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.427 -1.984 3.060 1.00 0.00 N ATOM 1334 CA GLY A 85 -1.015 -1.697 3.291 1.00 0.00 C ATOM 1335 C GLY A 85 -0.774 -0.290 3.825 1.00 0.00 C ATOM 1336 O GLY A 85 -1.724 0.440 4.091 1.00 0.00 O ATOM 0 H GLY A 85 -3.021 -1.155 3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.613 -2.422 3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.466 -1.825 2.358 1.00 0.00 H new ATOM 1340 N VAL A 86 0.516 0.080 4.001 1.00 0.00 N ATOM 1341 CA VAL A 86 0.921 1.430 4.473 1.00 0.00 C ATOM 1342 C VAL A 86 2.005 2.013 3.551 1.00 0.00 C ATOM 1343 O VAL A 86 2.860 1.277 3.047 1.00 0.00 O ATOM 1344 CB VAL A 86 1.445 1.434 5.966 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.328 1.036 6.960 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.698 0.537 6.129 1.00 0.00 C ATOM 0 H VAL A 86 1.303 -0.543 3.822 1.00 0.00 H new ATOM 0 HA VAL A 86 0.024 2.049 4.442 1.00 0.00 H new ATOM 0 HB VAL A 86 1.743 2.455 6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.723 1.049 7.976 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.497 1.744 6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.030 0.034 6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.031 0.563 7.166 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.450 -0.488 5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.495 0.904 5.482 1.00 0.00 H new ATOM 1356 N LEU A 87 1.954 3.340 3.339 1.00 0.00 N ATOM 1357 CA LEU A 87 2.899 4.037 2.458 1.00 0.00 C ATOM 1358 C LEU A 87 4.294 4.113 3.111 1.00 0.00 C ATOM 1359 O LEU A 87 4.434 4.560 4.249 1.00 0.00 O ATOM 1360 CB LEU A 87 2.372 5.456 2.132 1.00 0.00 C ATOM 1361 CG LEU A 87 3.156 6.245 1.033 1.00 0.00 C ATOM 1362 CD1 LEU A 87 3.125 5.503 -0.327 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.604 7.676 0.898 1.00 0.00 C ATOM 0 H LEU A 87 1.262 3.952 3.771 1.00 0.00 H new ATOM 0 HA LEU A 87 2.990 3.476 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.332 5.372 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.381 6.045 3.049 1.00 0.00 H new ATOM 0 HG LEU A 87 4.199 6.309 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.679 6.079 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.582 4.520 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.092 5.388 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.162 8.210 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.551 7.635 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.708 8.197 1.850 1.00 0.00 H new ATOM 1375 N ILE A 88 5.315 3.657 2.376 1.00 0.00 N ATOM 1376 CA ILE A 88 6.720 3.614 2.848 1.00 0.00 C ATOM 1377 C ILE A 88 7.636 4.356 1.864 1.00 0.00 C ATOM 1378 O ILE A 88 7.201 4.743 0.776 1.00 0.00 O ATOM 1379 CB ILE A 88 7.204 2.123 3.018 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.080 1.358 1.658 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.423 1.413 4.151 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.354 -0.131 1.697 1.00 0.00 C ATOM 0 H ILE A 88 5.197 3.302 1.427 1.00 0.00 H new ATOM 0 HA ILE A 88 6.770 4.108 3.818 1.00 0.00 H new ATOM 0 HB ILE A 88 8.255 2.125 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.073 1.510 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.768 1.814 0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.776 0.386 4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.584 1.942 5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.359 1.410 3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.237 -0.549 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.372 -0.305 2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.651 -0.613 2.376 1.00 0.00 H new ATOM 1394 N ARG A 89 8.906 4.551 2.257 1.00 0.00 N ATOM 1395 CA ARG A 89 9.908 5.260 1.442 1.00 0.00 C ATOM 1396 C ARG A 89 11.098 4.316 1.163 1.00 0.00 C ATOM 1397 O ARG A 89 12.181 4.463 1.753 1.00 0.00 O ATOM 1398 CB ARG A 89 10.371 6.562 2.161 1.00 0.00 C ATOM 1399 CG ARG A 89 9.238 7.558 2.521 1.00 0.00 C ATOM 1400 CD ARG A 89 9.763 8.792 3.276 1.00 0.00 C ATOM 1401 NE ARG A 89 8.678 9.668 3.747 1.00 0.00 N ATOM 1402 CZ ARG A 89 8.836 10.940 4.183 1.00 0.00 C ATOM 1403 NH1 ARG A 89 10.034 11.512 4.199 1.00 0.00 N ATOM 1404 NH2 ARG A 89 7.793 11.625 4.625 1.00 0.00 N ATOM 0 H ARG A 89 9.268 4.220 3.151 1.00 0.00 H new ATOM 0 HA ARG A 89 9.465 5.553 0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.894 6.286 3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.093 7.073 1.523 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.736 7.880 1.608 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.492 7.051 3.133 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.359 8.466 4.129 1.00 0.00 H new ATOM 0 HD3 ARG A 89 10.426 9.359 2.622 1.00 0.00 H new ATOM 0 HE ARG A 89 7.732 9.286 3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.852 10.992 3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.137 12.471 4.530 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.868 11.195 4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.914 12.583 4.953 1.00 0.00 H new ATOM 1418 N GLU A 90 10.865 3.302 0.304 1.00 0.00 N ATOM 1419 CA GLU A 90 11.902 2.320 -0.078 1.00 0.00 C ATOM 1420 C GLU A 90 12.605 2.765 -1.359 1.00 0.00 C ATOM 1421 O GLU A 90 13.691 3.340 -1.315 1.00 0.00 O ATOM 1422 CB GLU A 90 11.299 0.894 -0.270 1.00 0.00 C ATOM 1423 CG GLU A 90 10.655 0.286 0.978 1.00 0.00 C ATOM 1424 CD GLU A 90 11.625 0.088 2.149 1.00 0.00 C ATOM 1425 OE1 GLU A 90 12.343 -0.929 2.173 1.00 0.00 O ATOM 1426 OE2 GLU A 90 11.669 0.945 3.059 1.00 0.00 O ATOM 0 H GLU A 90 9.961 3.141 -0.141 1.00 0.00 H new ATOM 0 HA GLU A 90 12.627 2.272 0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.551 0.937 -1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.089 0.226 -0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.837 0.930 1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.218 -0.677 0.716 1.00 0.00 H new ATOM 1433 N LEU A 91 11.932 2.531 -2.495 1.00 0.00 N ATOM 1434 CA LEU A 91 12.509 2.690 -3.835 1.00 0.00 C ATOM 1435 C LEU A 91 11.964 3.976 -4.465 1.00 0.00 C ATOM 1436 O LEU A 91 10.795 4.300 -4.282 1.00 0.00 O ATOM 1437 CB LEU A 91 12.137 1.448 -4.698 1.00 0.00 C ATOM 1438 CG LEU A 91 12.429 0.052 -4.038 1.00 0.00 C ATOM 1439 CD1 LEU A 91 11.886 -1.110 -4.899 1.00 0.00 C ATOM 1440 CD2 LEU A 91 13.939 -0.133 -3.738 1.00 0.00 C ATOM 0 H LEU A 91 10.960 2.222 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 91 13.595 2.763 -3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.076 1.501 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.682 1.506 -5.640 1.00 0.00 H new ATOM 0 HG LEU A 91 11.899 0.032 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.107 -2.059 -4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.807 -1.004 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.360 -1.088 -5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.102 -1.110 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.505 -0.067 -4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.272 0.647 -3.054 1.00 0.00 H new ATOM 1452 N GLU A 92 12.819 4.719 -5.172 1.00 0.00 N ATOM 1453 CA GLU A 92 12.387 5.896 -5.945 1.00 0.00 C ATOM 1454 C GLU A 92 12.038 5.433 -7.356 1.00 0.00 C ATOM 1455 O GLU A 92 12.903 4.842 -8.024 1.00 0.00 O ATOM 1456 CB GLU A 92 13.489 6.997 -6.013 1.00 0.00 C ATOM 1457 CG GLU A 92 13.892 7.629 -4.663 1.00 0.00 C ATOM 1458 CD GLU A 92 14.693 6.681 -3.750 1.00 0.00 C ATOM 1459 OE1 GLU A 92 15.915 6.516 -3.965 1.00 0.00 O ATOM 1460 OE2 GLU A 92 14.108 6.095 -2.815 1.00 0.00 O ATOM 0 H GLU A 92 13.820 4.529 -5.228 1.00 0.00 H new ATOM 0 HA GLU A 92 11.524 6.340 -5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.379 6.566 -6.471 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.143 7.791 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.485 8.523 -4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.992 7.949 -4.139 1.00 0.00 H new ATOM 1467 N HIS A 93 10.777 5.652 -7.789 1.00 0.00 N ATOM 1468 CA HIS A 93 10.373 5.428 -9.187 1.00 0.00 C ATOM 1469 C HIS A 93 11.028 6.525 -10.060 1.00 0.00 C ATOM 1470 O HIS A 93 10.439 7.578 -10.347 1.00 0.00 O ATOM 1471 CB HIS A 93 8.827 5.404 -9.336 1.00 0.00 C ATOM 1472 CG HIS A 93 8.369 5.144 -10.748 1.00 0.00 C ATOM 1473 ND1 HIS A 93 8.036 6.152 -11.631 1.00 0.00 N ATOM 1474 CD2 HIS A 93 8.243 3.992 -11.448 1.00 0.00 C ATOM 1475 CE1 HIS A 93 7.725 5.625 -12.797 1.00 0.00 C ATOM 1476 NE2 HIS A 93 7.850 4.321 -12.715 1.00 0.00 N ATOM 0 H HIS A 93 10.024 5.984 -7.187 1.00 0.00 H new ATOM 0 HA HIS A 93 10.717 4.450 -9.522 1.00 0.00 H new ATOM 0 HB2 HIS A 93 8.418 4.635 -8.681 1.00 0.00 H new ATOM 0 HB3 HIS A 93 8.421 6.358 -9.000 1.00 0.00 H new ATOM 0 HD1 HIS A 93 8.032 7.149 -11.414 1.00 0.00 H new ATOM 0 HD2 HIS A 93 8.421 2.995 -11.073 1.00 0.00 H new ATOM 0 HE1 HIS A 93 7.418 6.174 -13.675 1.00 0.00 H new ATOM 1485 N HIS A 94 12.287 6.263 -10.417 1.00 0.00 N ATOM 1486 CA HIS A 94 13.200 7.237 -11.026 1.00 0.00 C ATOM 1487 C HIS A 94 13.579 6.797 -12.442 1.00 0.00 C ATOM 1488 O HIS A 94 13.851 5.609 -12.671 1.00 0.00 O ATOM 1489 CB HIS A 94 14.456 7.357 -10.111 1.00 0.00 C ATOM 1490 CG HIS A 94 15.669 8.018 -10.736 1.00 0.00 C ATOM 1491 ND1 HIS A 94 15.798 9.379 -10.904 1.00 0.00 N ATOM 1492 CD2 HIS A 94 16.828 7.481 -11.211 1.00 0.00 C ATOM 1493 CE1 HIS A 94 16.965 9.643 -11.458 1.00 0.00 C ATOM 1494 NE2 HIS A 94 17.602 8.514 -11.652 1.00 0.00 N ATOM 0 H HIS A 94 12.712 5.345 -10.288 1.00 0.00 H new ATOM 0 HA HIS A 94 12.719 8.212 -11.112 1.00 0.00 H new ATOM 0 HB2 HIS A 94 14.179 7.919 -9.219 1.00 0.00 H new ATOM 0 HB3 HIS A 94 14.740 6.357 -9.783 1.00 0.00 H new ATOM 0 HD2 HIS A 94 17.086 6.432 -11.234 1.00 0.00 H new ATOM 0 HE1 HIS A 94 17.335 10.626 -11.710 1.00 0.00 H new ATOM 0 HE2 HIS A 94 18.529 8.422 -12.067 1.00 0.00 H new ATOM 1503 N HIS A 95 13.571 7.757 -13.391 1.00 0.00 N ATOM 1504 CA HIS A 95 14.088 7.539 -14.752 1.00 0.00 C ATOM 1505 C HIS A 95 15.609 7.272 -14.665 1.00 0.00 C ATOM 1506 O HIS A 95 16.401 8.178 -14.375 1.00 0.00 O ATOM 1507 CB HIS A 95 13.731 8.736 -15.692 1.00 0.00 C ATOM 1508 CG HIS A 95 14.385 10.071 -15.378 1.00 0.00 C ATOM 1509 ND1 HIS A 95 15.008 10.850 -16.334 1.00 0.00 N ATOM 1510 CD2 HIS A 95 14.487 10.771 -14.222 1.00 0.00 C ATOM 1511 CE1 HIS A 95 15.456 11.951 -15.780 1.00 0.00 C ATOM 1512 NE2 HIS A 95 15.154 11.931 -14.502 1.00 0.00 N ATOM 0 H HIS A 95 13.208 8.697 -13.234 1.00 0.00 H new ATOM 0 HA HIS A 95 13.612 6.666 -15.199 1.00 0.00 H new ATOM 0 HB2 HIS A 95 13.997 8.458 -16.712 1.00 0.00 H new ATOM 0 HB3 HIS A 95 12.650 8.874 -15.671 1.00 0.00 H new ATOM 0 HD2 HIS A 95 14.110 10.468 -13.256 1.00 0.00 H new ATOM 0 HE1 HIS A 95 15.985 12.742 -16.290 1.00 0.00 H new ATOM 0 HE2 HIS A 95 15.380 12.662 -13.828 1.00 0.00 H new ATOM 1521 N HIS A 96 15.999 5.997 -14.850 1.00 0.00 N ATOM 1522 CA HIS A 96 17.388 5.536 -14.642 1.00 0.00 C ATOM 1523 C HIS A 96 18.353 6.179 -15.652 1.00 0.00 C ATOM 1524 O HIS A 96 19.556 6.269 -15.401 1.00 0.00 O ATOM 1525 CB HIS A 96 17.466 3.991 -14.723 1.00 0.00 C ATOM 1526 CG HIS A 96 16.616 3.277 -13.697 1.00 0.00 C ATOM 1527 ND1 HIS A 96 17.107 2.814 -12.495 1.00 0.00 N ATOM 1528 CD2 HIS A 96 15.299 2.953 -13.699 1.00 0.00 C ATOM 1529 CE1 HIS A 96 16.132 2.239 -11.817 1.00 0.00 C ATOM 1530 NE2 HIS A 96 15.027 2.314 -12.523 1.00 0.00 N ATOM 0 H HIS A 96 15.363 5.257 -15.147 1.00 0.00 H new ATOM 0 HA HIS A 96 17.695 5.850 -13.644 1.00 0.00 H new ATOM 0 HB2 HIS A 96 17.158 3.674 -15.719 1.00 0.00 H new ATOM 0 HB3 HIS A 96 18.504 3.683 -14.597 1.00 0.00 H new ATOM 0 HD2 HIS A 96 14.592 3.163 -14.488 1.00 0.00 H new ATOM 0 HE1 HIS A 96 16.227 1.782 -10.843 1.00 0.00 H new ATOM 0 HE2 HIS A 96 14.116 1.954 -12.240 1.00 0.00 H new ATOM 1539 N HIS A 97 17.804 6.628 -16.792 1.00 0.00 N ATOM 1540 CA HIS A 97 18.562 7.350 -17.834 1.00 0.00 C ATOM 1541 C HIS A 97 18.225 8.850 -17.772 1.00 0.00 C ATOM 1542 O HIS A 97 17.258 9.244 -17.107 1.00 0.00 O ATOM 1543 CB HIS A 97 18.232 6.765 -19.227 1.00 0.00 C ATOM 1544 CG HIS A 97 18.566 5.296 -19.370 1.00 0.00 C ATOM 1545 ND1 HIS A 97 19.588 4.824 -20.165 1.00 0.00 N ATOM 1546 CD2 HIS A 97 18.002 4.195 -18.813 1.00 0.00 C ATOM 1547 CE1 HIS A 97 19.631 3.513 -20.087 1.00 0.00 C ATOM 1548 NE2 HIS A 97 18.685 3.109 -19.276 1.00 0.00 N ATOM 0 H HIS A 97 16.818 6.501 -17.021 1.00 0.00 H new ATOM 0 HA HIS A 97 19.631 7.228 -17.659 1.00 0.00 H new ATOM 0 HB2 HIS A 97 17.170 6.907 -19.428 1.00 0.00 H new ATOM 0 HB3 HIS A 97 18.778 7.327 -19.985 1.00 0.00 H new ATOM 0 HD2 HIS A 97 17.166 4.181 -18.129 1.00 0.00 H new ATOM 0 HE1 HIS A 97 20.331 2.874 -20.606 1.00 0.00 H new ATOM 0 HE2 HIS A 97 18.490 2.138 -19.030 1.00 0.00 H new ATOM 1557 N HIS A 98 19.025 9.675 -18.467 1.00 0.00 N ATOM 1558 CA HIS A 98 18.877 11.140 -18.455 1.00 0.00 C ATOM 1559 C HIS A 98 17.723 11.559 -19.406 1.00 0.00 C ATOM 1560 O HIS A 98 16.592 11.760 -18.925 1.00 0.00 O ATOM 1561 CB HIS A 98 20.228 11.795 -18.854 1.00 0.00 C ATOM 1562 CG HIS A 98 20.208 13.303 -18.880 1.00 0.00 C ATOM 1563 ND1 HIS A 98 20.208 14.038 -20.041 1.00 0.00 N ATOM 1564 CD2 HIS A 98 20.188 14.211 -17.874 1.00 0.00 C ATOM 1565 CE1 HIS A 98 20.196 15.317 -19.751 1.00 0.00 C ATOM 1566 NE2 HIS A 98 20.187 15.451 -18.445 1.00 0.00 N ATOM 1567 OXT HIS A 98 17.947 11.659 -20.630 1.00 0.00 O ATOM 0 H HIS A 98 19.792 9.346 -19.053 1.00 0.00 H new ATOM 0 HA HIS A 98 18.618 11.486 -17.454 1.00 0.00 H new ATOM 0 HB2 HIS A 98 20.997 11.466 -18.155 1.00 0.00 H new ATOM 0 HB3 HIS A 98 20.517 11.431 -19.840 1.00 0.00 H new ATOM 0 HD2 HIS A 98 20.175 13.994 -16.816 1.00 0.00 H new ATOM 0 HE1 HIS A 98 20.194 16.125 -20.467 1.00 0.00 H new ATOM 0 HE2 HIS A 98 20.180 16.337 -17.940 1.00 0.00 H new TER 1576 HIS A 98