USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=14 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= -0.0786 K(o=0.17,f=-0.52) USER MOD Set 1.2: A 84 ASN : amide:sc= 0.252 K(o=0.17,f=-3.1!) USER MOD Set 2.1: A 75 SER OG : rot -106:sc= 0.121 USER MOD Set 2.2: A 79 GLN :FLIP amide:sc= 0.141 F(o=-0.47,f=0.26) USER MOD Set 3.1: A 70 ASN : amide:sc= -0.738 K(o=-1.8,f=-4.5!) USER MOD Set 3.2: A 93 HIS : no HD1:sc= -1.03 X(o=-1.8,f=-2) USER MOD Single : A 1 GLY N :NH3+ -173:sc= 0 (180deg=-0.0401) USER MOD Single : A 10 THR OG1 : rot 48:sc= 0.105 USER MOD Single : A 14 ASN : amide:sc=-0.00744 X(o=-0.0074,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00951 USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0374) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -66:sc= 0.226 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0205 K(o=-0.021,f=-0.81) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.764 F(o=-3.4!,f=-0.76) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0214 USER MOD Single : A 49 ASN : amide:sc= -0.0658 K(o=-0.066,f=-2.1!) USER MOD Single : A 51 HIS : no HD1:sc=-0.00396 X(o=-0.004,f=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0151 USER MOD Single : A 66 THR OG1 : rot -63:sc= 1.18 USER MOD Single : A 67 ASN : amide:sc= -0.0343 K(o=-0.034,f=-1.8!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0745 USER MOD Single : A 94 HIS : no HD1:sc= 0.34 K(o=0.34,f=-1.2) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.33) 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 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.667 -3.018 -24.393 1.00 0.00 N ATOM 2 CA GLY A 1 -36.694 -1.539 -24.445 1.00 0.00 C ATOM 3 C GLY A 1 -35.297 -0.952 -24.434 1.00 0.00 C ATOM 4 O GLY A 1 -35.005 -0.010 -25.180 1.00 0.00 O ATOM 0 H1 GLY A 1 -37.631 -3.388 -24.521 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.053 -3.381 -25.150 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.298 -3.326 -23.471 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -37.217 -1.216 -25.345 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -37.257 -1.155 -23.594 1.00 0.00 H new ATOM 10 N ASP A 2 -34.425 -1.516 -23.568 1.00 0.00 N ATOM 11 CA ASP A 2 -33.028 -1.084 -23.432 1.00 0.00 C ATOM 12 C ASP A 2 -32.185 -1.596 -24.615 1.00 0.00 C ATOM 13 O ASP A 2 -31.921 -2.802 -24.732 1.00 0.00 O ATOM 14 CB ASP A 2 -32.423 -1.599 -22.097 1.00 0.00 C ATOM 15 CG ASP A 2 -33.187 -1.115 -20.854 1.00 0.00 C ATOM 16 OD1 ASP A 2 -33.037 0.067 -20.470 1.00 0.00 O ATOM 17 OD2 ASP A 2 -33.945 -1.906 -20.253 1.00 0.00 O ATOM 0 H ASP A 2 -34.677 -2.284 -22.946 1.00 0.00 H new ATOM 0 HA ASP A 2 -33.012 0.006 -23.430 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -32.414 -2.689 -22.107 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -31.385 -1.272 -22.027 1.00 0.00 H new ATOM 22 N ARG A 3 -31.793 -0.674 -25.505 1.00 0.00 N ATOM 23 CA ARG A 3 -30.881 -0.960 -26.621 1.00 0.00 C ATOM 24 C ARG A 3 -29.853 0.176 -26.761 1.00 0.00 C ATOM 25 O ARG A 3 -30.178 1.350 -26.554 1.00 0.00 O ATOM 26 CB ARG A 3 -31.674 -1.232 -27.952 1.00 0.00 C ATOM 27 CG ARG A 3 -32.853 -0.269 -28.303 1.00 0.00 C ATOM 28 CD ARG A 3 -32.415 1.127 -28.791 1.00 0.00 C ATOM 29 NE ARG A 3 -33.565 1.934 -29.247 1.00 0.00 N ATOM 30 CZ ARG A 3 -33.619 3.284 -29.290 1.00 0.00 C ATOM 31 NH1 ARG A 3 -32.662 4.026 -28.755 1.00 0.00 N ATOM 32 NH2 ARG A 3 -34.669 3.888 -29.836 1.00 0.00 N ATOM 0 H ARG A 3 -32.102 0.298 -25.471 1.00 0.00 H new ATOM 0 HA ARG A 3 -30.331 -1.876 -26.407 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -30.963 -1.207 -28.778 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -32.071 -2.246 -27.905 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -33.467 -0.733 -29.074 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -33.483 -0.151 -27.422 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -31.901 1.650 -27.984 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -31.700 1.019 -29.607 1.00 0.00 H new ATOM 0 HE ARG A 3 -34.394 1.427 -29.558 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -31.865 3.580 -28.300 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -32.721 5.043 -28.798 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -35.433 3.333 -30.222 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -34.711 4.907 -29.869 1.00 0.00 H new ATOM 46 N ARG A 4 -28.601 -0.188 -27.079 1.00 0.00 N ATOM 47 CA ARG A 4 -27.510 0.776 -27.314 1.00 0.00 C ATOM 48 C ARG A 4 -27.323 0.914 -28.828 1.00 0.00 C ATOM 49 O ARG A 4 -26.432 0.291 -29.412 1.00 0.00 O ATOM 50 CB ARG A 4 -26.180 0.333 -26.606 1.00 0.00 C ATOM 51 CG ARG A 4 -26.221 0.328 -25.051 1.00 0.00 C ATOM 52 CD ARG A 4 -27.033 -0.839 -24.456 1.00 0.00 C ATOM 53 NE ARG A 4 -27.158 -0.744 -22.994 1.00 0.00 N ATOM 54 CZ ARG A 4 -27.642 -1.710 -22.184 1.00 0.00 C ATOM 55 NH1 ARG A 4 -28.048 -2.878 -22.669 1.00 0.00 N ATOM 56 NH2 ARG A 4 -27.717 -1.490 -20.877 1.00 0.00 N ATOM 0 H ARG A 4 -28.314 -1.161 -27.181 1.00 0.00 H new ATOM 0 HA ARG A 4 -27.772 1.742 -26.882 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -25.922 -0.669 -26.949 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -25.378 0.997 -26.929 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -25.201 0.281 -24.670 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -26.647 1.269 -24.705 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -28.027 -0.852 -24.903 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -26.553 -1.782 -24.717 1.00 0.00 H new ATOM 0 HE ARG A 4 -26.853 0.125 -22.555 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -27.998 -3.059 -23.671 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -28.410 -3.594 -22.039 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -27.410 -0.597 -20.492 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -28.081 -2.214 -20.258 1.00 0.00 H new ATOM 70 N VAL A 5 -28.226 1.681 -29.461 1.00 0.00 N ATOM 71 CA VAL A 5 -28.232 1.881 -30.927 1.00 0.00 C ATOM 72 C VAL A 5 -27.070 2.803 -31.364 1.00 0.00 C ATOM 73 O VAL A 5 -26.387 2.530 -32.359 1.00 0.00 O ATOM 74 CB VAL A 5 -29.620 2.453 -31.422 1.00 0.00 C ATOM 75 CG1 VAL A 5 -30.004 3.764 -30.695 1.00 0.00 C ATOM 76 CG2 VAL A 5 -29.639 2.652 -32.955 1.00 0.00 C ATOM 0 H VAL A 5 -28.972 2.180 -28.976 1.00 0.00 H new ATOM 0 HA VAL A 5 -28.087 0.907 -31.395 1.00 0.00 H new ATOM 0 HB VAL A 5 -30.372 1.706 -31.168 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -30.965 4.119 -31.068 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -30.077 3.578 -29.624 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -29.241 4.520 -30.881 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -30.609 3.046 -33.259 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -28.856 3.355 -33.240 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -29.466 1.696 -33.448 1.00 0.00 H new ATOM 86 N ARG A 6 -26.845 3.881 -30.592 1.00 0.00 N ATOM 87 CA ARG A 6 -25.808 4.885 -30.863 1.00 0.00 C ATOM 88 C ARG A 6 -24.567 4.593 -30.005 1.00 0.00 C ATOM 89 O ARG A 6 -24.692 4.066 -28.886 1.00 0.00 O ATOM 90 CB ARG A 6 -26.365 6.302 -30.555 1.00 0.00 C ATOM 91 CG ARG A 6 -25.408 7.467 -30.892 1.00 0.00 C ATOM 92 CD ARG A 6 -26.022 8.845 -30.599 1.00 0.00 C ATOM 93 NE ARG A 6 -25.142 9.941 -31.047 1.00 0.00 N ATOM 94 CZ ARG A 6 -25.458 10.859 -31.980 1.00 0.00 C ATOM 95 NH1 ARG A 6 -26.644 10.843 -32.589 1.00 0.00 N ATOM 96 NH2 ARG A 6 -24.586 11.799 -32.295 1.00 0.00 N ATOM 0 H ARG A 6 -27.387 4.079 -29.751 1.00 0.00 H new ATOM 0 HA ARG A 6 -25.521 4.842 -31.914 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -27.292 6.440 -31.112 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -26.618 6.354 -29.496 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -24.489 7.354 -30.317 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -25.134 7.413 -31.946 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -26.988 8.927 -31.098 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -26.207 8.941 -29.529 1.00 0.00 H new ATOM 0 HE ARG A 6 -24.220 10.009 -30.615 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -27.330 10.127 -32.351 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -26.865 11.547 -33.293 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -23.677 11.828 -31.832 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -24.821 12.497 -33.001 1.00 0.00 H new ATOM 110 N LEU A 7 -23.373 4.904 -30.540 1.00 0.00 N ATOM 111 CA LEU A 7 -22.112 4.765 -29.798 1.00 0.00 C ATOM 112 C LEU A 7 -22.004 5.920 -28.783 1.00 0.00 C ATOM 113 O LEU A 7 -21.561 7.029 -29.112 1.00 0.00 O ATOM 114 CB LEU A 7 -20.884 4.712 -30.773 1.00 0.00 C ATOM 115 CG LEU A 7 -19.517 4.165 -30.189 1.00 0.00 C ATOM 116 CD1 LEU A 7 -18.566 3.732 -31.323 1.00 0.00 C ATOM 117 CD2 LEU A 7 -18.803 5.188 -29.266 1.00 0.00 C ATOM 0 H LEU A 7 -23.257 5.256 -31.491 1.00 0.00 H new ATOM 0 HA LEU A 7 -22.106 3.821 -29.253 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -21.158 4.093 -31.627 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -20.710 5.719 -31.152 1.00 0.00 H new ATOM 0 HG LEU A 7 -19.773 3.299 -29.579 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -17.635 3.360 -30.895 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -19.036 2.943 -31.910 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -18.354 4.586 -31.966 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -17.873 4.757 -28.896 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -18.584 6.095 -29.829 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -19.450 5.431 -28.423 1.00 0.00 H new ATOM 129 N ILE A 8 -22.511 5.665 -27.576 1.00 0.00 N ATOM 130 CA ILE A 8 -22.268 6.495 -26.401 1.00 0.00 C ATOM 131 C ILE A 8 -21.181 5.791 -25.591 1.00 0.00 C ATOM 132 O ILE A 8 -21.349 4.610 -25.250 1.00 0.00 O ATOM 133 CB ILE A 8 -23.581 6.670 -25.552 1.00 0.00 C ATOM 134 CG1 ILE A 8 -24.722 7.284 -26.433 1.00 0.00 C ATOM 135 CG2 ILE A 8 -23.311 7.540 -24.301 1.00 0.00 C ATOM 136 CD1 ILE A 8 -26.070 7.410 -25.745 1.00 0.00 C ATOM 0 H ILE A 8 -23.111 4.862 -27.387 1.00 0.00 H new ATOM 0 HA ILE A 8 -21.952 7.497 -26.690 1.00 0.00 H new ATOM 0 HB ILE A 8 -23.908 5.688 -25.210 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -24.409 8.273 -26.768 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -24.843 6.669 -27.324 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -24.232 7.649 -23.728 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -22.552 7.061 -23.682 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -22.958 8.524 -24.611 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -26.792 7.845 -26.436 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -26.414 6.423 -25.435 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -25.973 8.052 -24.870 1.00 0.00 H new ATOM 148 N ARG A 9 -20.057 6.488 -25.324 1.00 0.00 N ATOM 149 CA ARG A 9 -18.875 5.874 -24.672 1.00 0.00 C ATOM 150 C ARG A 9 -19.236 5.300 -23.285 1.00 0.00 C ATOM 151 O ARG A 9 -20.144 5.823 -22.621 1.00 0.00 O ATOM 152 CB ARG A 9 -17.697 6.868 -24.564 1.00 0.00 C ATOM 153 CG ARG A 9 -17.250 7.465 -25.915 1.00 0.00 C ATOM 154 CD ARG A 9 -15.824 8.046 -25.884 1.00 0.00 C ATOM 155 NE ARG A 9 -15.632 9.070 -24.842 1.00 0.00 N ATOM 156 CZ ARG A 9 -14.502 9.782 -24.663 1.00 0.00 C ATOM 157 NH1 ARG A 9 -13.468 9.656 -25.487 1.00 0.00 N ATOM 158 NH2 ARG A 9 -14.410 10.628 -23.658 1.00 0.00 N ATOM 0 H ARG A 9 -19.940 7.476 -25.549 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.552 5.050 -25.308 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -17.982 7.681 -23.896 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.849 6.361 -24.105 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.303 6.691 -26.681 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.948 8.250 -26.206 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.113 7.236 -25.722 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.596 8.481 -26.857 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.411 9.253 -24.210 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.519 9.010 -26.275 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.623 10.205 -25.332 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.194 10.744 -23.016 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.555 11.167 -23.522 1.00 0.00 H new ATOM 172 N THR A 10 -18.506 4.225 -22.889 1.00 0.00 N ATOM 173 CA THR A 10 -18.819 3.368 -21.722 1.00 0.00 C ATOM 174 C THR A 10 -19.065 4.170 -20.422 1.00 0.00 C ATOM 175 O THR A 10 -18.132 4.515 -19.688 1.00 0.00 O ATOM 176 CB THR A 10 -17.690 2.290 -21.513 1.00 0.00 C ATOM 177 OG1 THR A 10 -16.399 2.933 -21.479 1.00 0.00 O ATOM 178 CG2 THR A 10 -17.700 1.224 -22.633 1.00 0.00 C ATOM 0 H THR A 10 -17.666 3.926 -23.385 1.00 0.00 H new ATOM 0 HA THR A 10 -19.759 2.864 -21.948 1.00 0.00 H new ATOM 0 HB THR A 10 -17.885 1.789 -20.565 1.00 0.00 H new ATOM 0 HG1 THR A 10 -16.432 3.701 -20.872 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.906 0.499 -22.452 1.00 0.00 H new ATOM 0 HG22 THR A 10 -18.663 0.714 -22.641 1.00 0.00 H new ATOM 0 HG23 THR A 10 -17.538 1.707 -23.597 1.00 0.00 H new ATOM 186 N ARG A 11 -20.352 4.484 -20.184 1.00 0.00 N ATOM 187 CA ARG A 11 -20.823 5.220 -19.000 1.00 0.00 C ATOM 188 C ARG A 11 -22.188 4.654 -18.588 1.00 0.00 C ATOM 189 O ARG A 11 -22.967 4.223 -19.448 1.00 0.00 O ATOM 190 CB ARG A 11 -20.924 6.742 -19.314 1.00 0.00 C ATOM 191 CG ARG A 11 -21.295 7.639 -18.107 1.00 0.00 C ATOM 192 CD ARG A 11 -20.250 7.548 -16.977 1.00 0.00 C ATOM 193 NE ARG A 11 -20.637 8.335 -15.800 1.00 0.00 N ATOM 194 CZ ARG A 11 -19.977 8.342 -14.630 1.00 0.00 C ATOM 195 NH1 ARG A 11 -18.868 7.623 -14.463 1.00 0.00 N ATOM 196 NH2 ARG A 11 -20.432 9.079 -13.625 1.00 0.00 N ATOM 0 H ARG A 11 -21.106 4.228 -20.822 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.117 5.100 -18.179 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.968 7.078 -19.716 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -21.668 6.887 -20.097 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -21.382 8.674 -18.438 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -22.271 7.344 -17.723 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.120 6.505 -16.688 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -19.286 7.899 -17.346 1.00 0.00 H new ATOM 0 HE ARG A 11 -21.469 8.920 -15.876 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -18.508 7.056 -15.230 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -18.379 7.640 -13.568 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -21.278 9.636 -13.743 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -19.936 9.089 -12.734 1.00 0.00 H new ATOM 210 N GLY A 12 -22.467 4.634 -17.273 1.00 0.00 N ATOM 211 CA GLY A 12 -23.692 4.028 -16.742 1.00 0.00 C ATOM 212 C GLY A 12 -23.550 2.532 -16.490 1.00 0.00 C ATOM 213 O GLY A 12 -24.466 1.907 -15.941 1.00 0.00 O ATOM 0 H GLY A 12 -21.856 5.033 -16.560 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -23.963 4.525 -15.810 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -24.509 4.198 -17.443 1.00 0.00 H new ATOM 217 N GLY A 13 -22.408 1.960 -16.928 1.00 0.00 N ATOM 218 CA GLY A 13 -22.088 0.562 -16.716 1.00 0.00 C ATOM 219 C GLY A 13 -21.587 0.329 -15.304 1.00 0.00 C ATOM 220 O GLY A 13 -20.376 0.389 -15.053 1.00 0.00 O ATOM 0 H GLY A 13 -21.689 2.471 -17.440 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -22.972 -0.049 -16.898 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -21.329 0.246 -17.432 1.00 0.00 H new ATOM 224 N ASN A 14 -22.539 0.137 -14.378 1.00 0.00 N ATOM 225 CA ASN A 14 -22.244 -0.159 -12.973 1.00 0.00 C ATOM 226 C ASN A 14 -21.593 -1.556 -12.873 1.00 0.00 C ATOM 227 O ASN A 14 -22.281 -2.579 -12.890 1.00 0.00 O ATOM 228 CB ASN A 14 -23.538 -0.083 -12.112 1.00 0.00 C ATOM 229 CG ASN A 14 -24.260 1.265 -12.206 1.00 0.00 C ATOM 230 OD1 ASN A 14 -23.970 2.203 -11.457 1.00 0.00 O ATOM 231 ND2 ASN A 14 -25.207 1.378 -13.119 1.00 0.00 N ATOM 0 H ASN A 14 -23.537 0.183 -14.586 1.00 0.00 H new ATOM 0 HA ASN A 14 -21.548 0.585 -12.585 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -24.220 -0.873 -12.426 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -23.283 -0.277 -11.070 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -25.718 2.255 -13.218 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -25.428 0.588 -13.726 1.00 0.00 H new ATOM 238 N THR A 15 -20.257 -1.571 -12.849 1.00 0.00 N ATOM 239 CA THR A 15 -19.453 -2.797 -12.773 1.00 0.00 C ATOM 240 C THR A 15 -19.255 -3.231 -11.307 1.00 0.00 C ATOM 241 O THR A 15 -19.672 -2.527 -10.379 1.00 0.00 O ATOM 242 CB THR A 15 -18.074 -2.567 -13.477 1.00 0.00 C ATOM 243 OG1 THR A 15 -17.455 -1.384 -12.942 1.00 0.00 O ATOM 244 CG2 THR A 15 -18.223 -2.425 -15.004 1.00 0.00 C ATOM 0 H THR A 15 -19.695 -0.721 -12.882 1.00 0.00 H new ATOM 0 HA THR A 15 -19.982 -3.599 -13.288 1.00 0.00 H new ATOM 0 HB THR A 15 -17.451 -3.441 -13.284 1.00 0.00 H new ATOM 0 HG1 THR A 15 -16.591 -1.240 -13.381 1.00 0.00 H new ATOM 0 HG21 THR A 15 -17.242 -2.267 -15.452 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.666 -3.333 -15.412 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.866 -1.574 -15.229 1.00 0.00 H new ATOM 252 N LYS A 16 -18.637 -4.403 -11.116 1.00 0.00 N ATOM 253 CA LYS A 16 -18.314 -4.956 -9.781 1.00 0.00 C ATOM 254 C LYS A 16 -16.921 -5.605 -9.817 1.00 0.00 C ATOM 255 O LYS A 16 -16.670 -6.659 -9.208 1.00 0.00 O ATOM 256 CB LYS A 16 -19.416 -5.950 -9.278 1.00 0.00 C ATOM 257 CG LYS A 16 -19.709 -7.213 -10.152 1.00 0.00 C ATOM 258 CD LYS A 16 -20.454 -6.924 -11.489 1.00 0.00 C ATOM 259 CE LYS A 16 -21.795 -6.197 -11.289 1.00 0.00 C ATOM 260 NZ LYS A 16 -22.697 -6.920 -10.364 1.00 0.00 N ATOM 0 H LYS A 16 -18.342 -5.004 -11.885 1.00 0.00 H new ATOM 0 HA LYS A 16 -18.296 -4.140 -9.059 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -19.132 -6.290 -8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -20.347 -5.393 -9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -18.765 -7.708 -10.378 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.303 -7.914 -9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -19.813 -6.321 -12.132 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -20.632 -7.865 -12.009 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.608 -5.196 -10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.288 -6.078 -12.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -23.617 -6.436 -10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -22.831 -7.895 -10.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -22.277 -6.937 -9.413 1.00 0.00 H new ATOM 274 N VAL A 17 -16.003 -4.928 -10.516 1.00 0.00 N ATOM 275 CA VAL A 17 -14.615 -5.373 -10.682 1.00 0.00 C ATOM 276 C VAL A 17 -13.793 -5.079 -9.410 1.00 0.00 C ATOM 277 O VAL A 17 -13.602 -3.912 -9.042 1.00 0.00 O ATOM 278 CB VAL A 17 -13.917 -4.678 -11.919 1.00 0.00 C ATOM 279 CG1 VAL A 17 -12.461 -5.162 -12.087 1.00 0.00 C ATOM 280 CG2 VAL A 17 -14.714 -4.894 -13.228 1.00 0.00 C ATOM 0 H VAL A 17 -16.205 -4.046 -10.987 1.00 0.00 H new ATOM 0 HA VAL A 17 -14.647 -6.448 -10.861 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.901 -3.608 -11.712 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -12.009 -4.666 -12.946 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.892 -4.922 -11.189 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.452 -6.240 -12.245 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -14.200 -4.400 -14.053 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -14.791 -5.961 -13.435 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -15.713 -4.473 -13.119 1.00 0.00 H new ATOM 290 N ARG A 18 -13.321 -6.151 -8.749 1.00 0.00 N ATOM 291 CA ARG A 18 -12.348 -6.043 -7.655 1.00 0.00 C ATOM 292 C ARG A 18 -10.942 -5.991 -8.278 1.00 0.00 C ATOM 293 O ARG A 18 -10.306 -4.942 -8.299 1.00 0.00 O ATOM 294 CB ARG A 18 -12.447 -7.222 -6.644 1.00 0.00 C ATOM 295 CG ARG A 18 -13.789 -7.381 -5.876 1.00 0.00 C ATOM 296 CD ARG A 18 -14.923 -7.996 -6.728 1.00 0.00 C ATOM 297 NE ARG A 18 -16.030 -8.508 -5.897 1.00 0.00 N ATOM 298 CZ ARG A 18 -17.202 -8.971 -6.375 1.00 0.00 C ATOM 299 NH1 ARG A 18 -17.511 -8.837 -7.659 1.00 0.00 N ATOM 300 NH2 ARG A 18 -18.072 -9.545 -5.555 1.00 0.00 N ATOM 0 H ARG A 18 -13.603 -7.109 -8.958 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.561 -5.138 -7.087 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.254 -8.149 -7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.648 -7.108 -5.911 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.624 -8.008 -5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.108 -6.404 -5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.306 -7.243 -7.417 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.520 -8.808 -7.334 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.898 -8.512 -4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.858 -8.380 -8.296 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.401 -9.192 -8.009 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.854 -9.636 -4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -18.959 -9.895 -5.917 1.00 0.00 H new ATOM 314 N LEU A 19 -10.496 -7.130 -8.835 1.00 0.00 N ATOM 315 CA LEU A 19 -9.181 -7.252 -9.503 1.00 0.00 C ATOM 316 C LEU A 19 -9.357 -7.278 -11.039 1.00 0.00 C ATOM 317 O LEU A 19 -9.215 -6.230 -11.688 1.00 0.00 O ATOM 318 CB LEU A 19 -8.430 -8.520 -8.996 1.00 0.00 C ATOM 319 CG LEU A 19 -8.064 -8.553 -7.478 1.00 0.00 C ATOM 320 CD1 LEU A 19 -7.414 -9.901 -7.075 1.00 0.00 C ATOM 321 CD2 LEU A 19 -7.151 -7.370 -7.092 1.00 0.00 C ATOM 0 H LEU A 19 -11.035 -7.996 -8.837 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.575 -6.382 -9.251 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.045 -9.392 -9.218 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.510 -8.624 -9.571 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.997 -8.454 -6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.174 -9.886 -6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.109 -10.715 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.501 -10.051 -7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.916 -7.424 -6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.229 -7.418 -7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.663 -6.431 -7.303 1.00 0.00 H new ATOM 333 N ALA A 20 -9.708 -8.476 -11.585 1.00 0.00 N ATOM 334 CA ALA A 20 -9.809 -8.759 -13.038 1.00 0.00 C ATOM 335 C ALA A 20 -8.577 -8.244 -13.801 1.00 0.00 C ATOM 336 O ALA A 20 -8.625 -7.156 -14.385 1.00 0.00 O ATOM 337 CB ALA A 20 -11.120 -8.207 -13.630 1.00 0.00 C ATOM 0 H ALA A 20 -9.933 -9.288 -11.010 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.831 -9.842 -13.159 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.161 -8.432 -14.696 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.969 -8.671 -13.128 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.158 -7.127 -13.485 1.00 0.00 H new ATOM 343 N SER A 21 -7.467 -9.015 -13.707 1.00 0.00 N ATOM 344 CA SER A 21 -6.141 -8.691 -14.296 1.00 0.00 C ATOM 345 C SER A 21 -5.401 -7.609 -13.468 1.00 0.00 C ATOM 346 O SER A 21 -4.245 -7.805 -13.074 1.00 0.00 O ATOM 347 CB SER A 21 -6.247 -8.294 -15.799 1.00 0.00 C ATOM 348 OG SER A 21 -4.978 -8.179 -16.415 1.00 0.00 O ATOM 0 H SER A 21 -7.467 -9.904 -13.206 1.00 0.00 H new ATOM 0 HA SER A 21 -5.543 -9.601 -14.253 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.839 -9.040 -16.329 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.778 -7.346 -15.885 1.00 0.00 H new ATOM 0 HG SER A 21 -5.092 -7.930 -17.356 1.00 0.00 H new ATOM 354 N ASP A 22 -6.081 -6.469 -13.215 1.00 0.00 N ATOM 355 CA ASP A 22 -5.562 -5.361 -12.381 1.00 0.00 C ATOM 356 C ASP A 22 -5.491 -5.751 -10.899 1.00 0.00 C ATOM 357 O ASP A 22 -5.908 -6.843 -10.500 1.00 0.00 O ATOM 358 CB ASP A 22 -6.433 -4.090 -12.566 1.00 0.00 C ATOM 359 CG ASP A 22 -6.333 -3.517 -13.982 1.00 0.00 C ATOM 360 OD1 ASP A 22 -5.389 -2.747 -14.259 1.00 0.00 O ATOM 361 OD2 ASP A 22 -7.172 -3.861 -14.837 1.00 0.00 O ATOM 0 H ASP A 22 -7.014 -6.290 -13.587 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.547 -5.146 -12.714 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.473 -4.330 -12.347 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.122 -3.332 -11.847 1.00 0.00 H new ATOM 366 N THR A 23 -4.975 -4.829 -10.083 1.00 0.00 N ATOM 367 CA THR A 23 -4.693 -5.096 -8.669 1.00 0.00 C ATOM 368 C THR A 23 -4.980 -3.846 -7.826 1.00 0.00 C ATOM 369 O THR A 23 -4.358 -2.807 -8.025 1.00 0.00 O ATOM 370 CB THR A 23 -3.213 -5.574 -8.455 1.00 0.00 C ATOM 371 OG1 THR A 23 -2.862 -6.569 -9.433 1.00 0.00 O ATOM 372 CG2 THR A 23 -3.011 -6.168 -7.055 1.00 0.00 C ATOM 0 H THR A 23 -4.742 -3.882 -10.380 1.00 0.00 H new ATOM 0 HA THR A 23 -5.350 -5.903 -8.344 1.00 0.00 H new ATOM 0 HB THR A 23 -2.572 -4.699 -8.564 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.936 -6.857 -9.289 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.975 -6.488 -6.942 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.242 -5.414 -6.303 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.672 -7.025 -6.924 1.00 0.00 H new ATOM 380 N ARG A 24 -5.923 -3.976 -6.878 1.00 0.00 N ATOM 381 CA ARG A 24 -6.359 -2.871 -6.012 1.00 0.00 C ATOM 382 C ARG A 24 -5.695 -3.006 -4.646 1.00 0.00 C ATOM 383 O ARG A 24 -5.440 -4.126 -4.186 1.00 0.00 O ATOM 384 CB ARG A 24 -7.899 -2.889 -5.852 1.00 0.00 C ATOM 385 CG ARG A 24 -8.670 -2.555 -7.142 1.00 0.00 C ATOM 386 CD ARG A 24 -8.439 -1.116 -7.612 1.00 0.00 C ATOM 387 NE ARG A 24 -9.252 -0.797 -8.797 1.00 0.00 N ATOM 388 CZ ARG A 24 -9.786 0.396 -9.063 1.00 0.00 C ATOM 389 NH1 ARG A 24 -9.585 1.424 -8.239 1.00 0.00 N ATOM 390 NH2 ARG A 24 -10.499 0.563 -10.168 1.00 0.00 N ATOM 0 H ARG A 24 -6.406 -4.855 -6.691 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.067 -1.925 -6.468 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.206 -3.875 -5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.181 -2.175 -5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.367 -3.244 -7.931 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.736 -2.712 -6.975 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.684 -0.425 -6.805 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.384 -0.973 -7.845 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.420 -1.547 -9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.020 1.301 -7.399 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.996 2.334 -8.449 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.637 -0.218 -10.809 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.910 1.473 -10.377 1.00 0.00 H new ATOM 404 N ILE A 25 -5.418 -1.867 -4.001 1.00 0.00 N ATOM 405 CA ILE A 25 -4.826 -1.833 -2.659 1.00 0.00 C ATOM 406 C ILE A 25 -5.355 -0.621 -1.872 1.00 0.00 C ATOM 407 O ILE A 25 -5.717 0.393 -2.459 1.00 0.00 O ATOM 408 CB ILE A 25 -3.262 -1.778 -2.755 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.587 -1.855 -1.343 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.804 -0.518 -3.533 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.080 -1.959 -1.369 1.00 0.00 C ATOM 0 H ILE A 25 -5.598 -0.943 -4.395 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.111 -2.743 -2.130 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.935 -2.657 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.867 -0.969 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.988 -2.717 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.716 -0.500 -3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.218 -0.543 -4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.156 0.376 -3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.701 -2.007 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.787 -2.860 -1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.664 -1.085 -1.870 1.00 0.00 H new ATOM 423 N ASN A 26 -5.415 -0.743 -0.540 1.00 0.00 N ATOM 424 CA ASN A 26 -5.664 0.386 0.352 1.00 0.00 C ATOM 425 C ASN A 26 -4.316 0.831 0.920 1.00 0.00 C ATOM 426 O ASN A 26 -3.750 0.158 1.787 1.00 0.00 O ATOM 427 CB ASN A 26 -6.623 -0.032 1.479 1.00 0.00 C ATOM 428 CG ASN A 26 -7.981 -0.474 0.948 1.00 0.00 C ATOM 429 OD1 ASN A 26 -8.879 0.344 0.754 1.00 0.00 O ATOM 430 ND2 ASN A 26 -8.148 -1.764 0.712 1.00 0.00 N ATOM 0 H ASN A 26 -5.291 -1.631 -0.054 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.132 1.210 -0.187 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.176 -0.846 2.050 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.758 0.803 2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.042 -2.106 0.359 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.383 -2.417 0.883 1.00 0.00 H new ATOM 437 N VAL A 27 -3.782 1.930 0.373 1.00 0.00 N ATOM 438 CA VAL A 27 -2.516 2.518 0.813 1.00 0.00 C ATOM 439 C VAL A 27 -2.795 3.491 1.964 1.00 0.00 C ATOM 440 O VAL A 27 -3.416 4.546 1.750 1.00 0.00 O ATOM 441 CB VAL A 27 -1.791 3.279 -0.358 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.435 3.875 0.089 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.622 2.372 -1.594 1.00 0.00 C ATOM 0 H VAL A 27 -4.222 2.439 -0.394 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.858 1.714 1.143 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.431 4.115 -0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.030 4.391 -0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.599 4.581 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.220 3.073 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.118 2.926 -2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.026 1.499 -1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.602 2.049 -1.945 1.00 0.00 H new ATOM 453 N VAL A 28 -2.358 3.129 3.170 1.00 0.00 N ATOM 454 CA VAL A 28 -2.549 3.935 4.379 1.00 0.00 C ATOM 455 C VAL A 28 -1.248 4.685 4.674 1.00 0.00 C ATOM 456 O VAL A 28 -0.293 4.089 5.184 1.00 0.00 O ATOM 457 CB VAL A 28 -2.940 3.031 5.614 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.198 3.868 6.886 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.150 2.125 5.292 1.00 0.00 C ATOM 0 H VAL A 28 -1.855 2.258 3.339 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.365 4.639 4.212 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.084 2.388 5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.464 3.206 7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.297 4.425 7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.016 4.565 6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.391 1.517 6.164 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.009 2.744 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.904 1.474 4.453 1.00 0.00 H new ATOM 469 N ASP A 29 -1.184 5.969 4.290 1.00 0.00 N ATOM 470 CA ASP A 29 -0.064 6.846 4.643 1.00 0.00 C ATOM 471 C ASP A 29 0.030 6.945 6.182 1.00 0.00 C ATOM 472 O ASP A 29 -0.880 7.474 6.803 1.00 0.00 O ATOM 473 CB ASP A 29 -0.226 8.254 4.012 1.00 0.00 C ATOM 474 CG ASP A 29 0.947 9.197 4.366 1.00 0.00 C ATOM 475 OD1 ASP A 29 2.055 9.007 3.834 1.00 0.00 O ATOM 476 OD2 ASP A 29 0.767 10.110 5.196 1.00 0.00 O ATOM 0 H ASP A 29 -1.904 6.424 3.729 1.00 0.00 H new ATOM 0 HA ASP A 29 0.857 6.420 4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.297 8.158 2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.161 8.697 4.354 1.00 0.00 H new ATOM 481 N PRO A 30 1.125 6.424 6.818 1.00 0.00 N ATOM 482 CA PRO A 30 1.234 6.344 8.299 1.00 0.00 C ATOM 483 C PRO A 30 1.554 7.703 8.958 1.00 0.00 C ATOM 484 O PRO A 30 1.533 7.825 10.189 1.00 0.00 O ATOM 485 CB PRO A 30 2.390 5.337 8.490 1.00 0.00 C ATOM 486 CG PRO A 30 3.279 5.586 7.310 1.00 0.00 C ATOM 487 CD PRO A 30 2.346 5.889 6.155 1.00 0.00 C ATOM 0 HA PRO A 30 0.298 6.045 8.771 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.916 5.505 9.430 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.027 4.309 8.508 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.955 6.420 7.497 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.899 4.716 7.095 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.781 6.616 5.469 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.126 4.994 5.573 1.00 0.00 H new ATOM 495 N GLU A 31 1.855 8.708 8.128 1.00 0.00 N ATOM 496 CA GLU A 31 2.342 10.009 8.587 1.00 0.00 C ATOM 497 C GLU A 31 1.154 10.904 8.976 1.00 0.00 C ATOM 498 O GLU A 31 1.092 11.437 10.090 1.00 0.00 O ATOM 499 CB GLU A 31 3.182 10.653 7.443 1.00 0.00 C ATOM 500 CG GLU A 31 4.191 9.694 6.760 1.00 0.00 C ATOM 501 CD GLU A 31 5.382 9.287 7.649 1.00 0.00 C ATOM 502 OE1 GLU A 31 5.247 8.362 8.471 1.00 0.00 O ATOM 503 OE2 GLU A 31 6.471 9.885 7.511 1.00 0.00 O ATOM 0 H GLU A 31 1.766 8.639 7.114 1.00 0.00 H new ATOM 0 HA GLU A 31 2.971 9.891 9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.501 11.041 6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.728 11.505 7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.663 8.794 6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.573 10.171 5.857 1.00 0.00 H new ATOM 510 N THR A 32 0.217 11.052 8.028 1.00 0.00 N ATOM 511 CA THR A 32 -1.026 11.827 8.209 1.00 0.00 C ATOM 512 C THR A 32 -2.225 10.906 8.523 1.00 0.00 C ATOM 513 O THR A 32 -3.125 11.290 9.281 1.00 0.00 O ATOM 514 CB THR A 32 -1.327 12.651 6.913 1.00 0.00 C ATOM 515 OG1 THR A 32 -1.399 11.767 5.788 1.00 0.00 O ATOM 516 CG2 THR A 32 -0.255 13.723 6.638 1.00 0.00 C ATOM 0 H THR A 32 0.299 10.633 7.102 1.00 0.00 H new ATOM 0 HA THR A 32 -0.883 12.500 9.054 1.00 0.00 H new ATOM 0 HB THR A 32 -2.279 13.160 7.067 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.519 11.366 5.630 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.509 14.267 5.728 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.212 14.418 7.477 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.716 13.243 6.514 1.00 0.00 H new ATOM 524 N GLY A 33 -2.218 9.689 7.950 1.00 0.00 N ATOM 525 CA GLY A 33 -3.335 8.735 8.098 1.00 0.00 C ATOM 526 C GLY A 33 -4.227 8.651 6.857 1.00 0.00 C ATOM 527 O GLY A 33 -5.314 8.063 6.919 1.00 0.00 O ATOM 0 H GLY A 33 -1.449 9.341 7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.932 7.746 8.315 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.942 9.027 8.955 1.00 0.00 H new ATOM 531 N LYS A 34 -3.772 9.268 5.744 1.00 0.00 N ATOM 532 CA LYS A 34 -4.505 9.291 4.465 1.00 0.00 C ATOM 533 C LYS A 34 -4.609 7.881 3.848 1.00 0.00 C ATOM 534 O LYS A 34 -3.597 7.300 3.461 1.00 0.00 O ATOM 535 CB LYS A 34 -3.801 10.267 3.476 1.00 0.00 C ATOM 536 CG LYS A 34 -3.884 11.765 3.862 1.00 0.00 C ATOM 537 CD LYS A 34 -5.309 12.347 3.751 1.00 0.00 C ATOM 538 CE LYS A 34 -5.834 12.365 2.305 1.00 0.00 C ATOM 539 NZ LYS A 34 -7.223 12.890 2.217 1.00 0.00 N ATOM 0 H LYS A 34 -2.882 9.765 5.711 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.520 9.640 4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.751 9.985 3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.241 10.137 2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.527 11.890 4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.215 12.336 3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.986 11.760 4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.314 13.362 4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.176 12.978 1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.803 11.355 1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.534 12.883 1.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.857 12.291 2.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.250 13.864 2.582 1.00 0.00 H new ATOM 553 N VAL A 35 -5.838 7.342 3.770 1.00 0.00 N ATOM 554 CA VAL A 35 -6.124 6.035 3.135 1.00 0.00 C ATOM 555 C VAL A 35 -6.774 6.270 1.759 1.00 0.00 C ATOM 556 O VAL A 35 -7.771 6.993 1.653 1.00 0.00 O ATOM 557 CB VAL A 35 -7.081 5.149 4.027 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.271 3.730 3.430 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.574 5.069 5.487 1.00 0.00 C ATOM 0 H VAL A 35 -6.668 7.800 4.146 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.181 5.499 3.022 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.056 5.637 4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.935 3.151 4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.707 3.810 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.304 3.231 3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.254 4.453 6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.578 4.627 5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.533 6.071 5.913 1.00 0.00 H new ATOM 569 N GLU A 36 -6.186 5.685 0.707 1.00 0.00 N ATOM 570 CA GLU A 36 -6.702 5.777 -0.673 1.00 0.00 C ATOM 571 C GLU A 36 -6.661 4.393 -1.331 1.00 0.00 C ATOM 572 O GLU A 36 -5.707 3.631 -1.122 1.00 0.00 O ATOM 573 CB GLU A 36 -5.848 6.794 -1.488 1.00 0.00 C ATOM 574 CG GLU A 36 -6.201 6.936 -2.993 1.00 0.00 C ATOM 575 CD GLU A 36 -7.593 7.538 -3.265 1.00 0.00 C ATOM 576 OE1 GLU A 36 -8.589 6.787 -3.314 1.00 0.00 O ATOM 577 OE2 GLU A 36 -7.701 8.777 -3.427 1.00 0.00 O ATOM 0 H GLU A 36 -5.334 5.130 0.786 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.734 6.126 -0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.943 7.774 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.801 6.503 -1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.448 7.561 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.145 5.953 -3.461 1.00 0.00 H new ATOM 584 N ILE A 37 -7.711 4.068 -2.112 1.00 0.00 N ATOM 585 CA ILE A 37 -7.712 2.881 -2.973 1.00 0.00 C ATOM 586 C ILE A 37 -6.911 3.229 -4.243 1.00 0.00 C ATOM 587 O ILE A 37 -7.268 4.146 -4.991 1.00 0.00 O ATOM 588 CB ILE A 37 -9.161 2.383 -3.339 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.941 1.996 -2.036 1.00 0.00 C ATOM 590 CG2 ILE A 37 -9.109 1.188 -4.343 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.361 1.510 -2.258 1.00 0.00 C ATOM 0 H ILE A 37 -8.569 4.617 -2.160 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.252 2.053 -2.433 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.694 3.197 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.384 1.217 -1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.969 2.863 -1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.123 0.865 -4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.608 1.503 -5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.559 0.360 -3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.817 1.267 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.941 2.292 -2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.347 0.621 -2.888 1.00 0.00 H new ATOM 603 N ALA A 38 -5.823 2.499 -4.456 1.00 0.00 N ATOM 604 CA ALA A 38 -4.875 2.738 -5.542 1.00 0.00 C ATOM 605 C ALA A 38 -4.753 1.470 -6.387 1.00 0.00 C ATOM 606 O ALA A 38 -5.245 0.395 -6.005 1.00 0.00 O ATOM 607 CB ALA A 38 -3.509 3.162 -4.968 1.00 0.00 C ATOM 0 H ALA A 38 -5.568 1.707 -3.867 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.233 3.548 -6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.810 3.338 -5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.626 4.077 -4.388 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.124 2.371 -4.324 1.00 0.00 H new ATOM 613 N GLU A 39 -4.092 1.613 -7.529 1.00 0.00 N ATOM 614 CA GLU A 39 -3.743 0.501 -8.413 1.00 0.00 C ATOM 615 C GLU A 39 -2.260 0.187 -8.212 1.00 0.00 C ATOM 616 O GLU A 39 -1.427 1.110 -8.241 1.00 0.00 O ATOM 617 CB GLU A 39 -4.033 0.899 -9.885 1.00 0.00 C ATOM 618 CG GLU A 39 -5.542 1.057 -10.227 1.00 0.00 C ATOM 619 CD GLU A 39 -6.299 -0.254 -10.579 1.00 0.00 C ATOM 620 OE1 GLU A 39 -5.954 -1.346 -10.072 1.00 0.00 O ATOM 621 OE2 GLU A 39 -7.241 -0.188 -11.398 1.00 0.00 O ATOM 0 H GLU A 39 -3.777 2.519 -7.875 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.336 -0.383 -8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.525 1.839 -10.101 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.602 0.145 -10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.040 1.525 -9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.634 1.744 -11.068 1.00 0.00 H new ATOM 628 N ILE A 40 -1.934 -1.092 -7.967 1.00 0.00 N ATOM 629 CA ILE A 40 -0.545 -1.524 -7.849 1.00 0.00 C ATOM 630 C ILE A 40 0.062 -1.550 -9.260 1.00 0.00 C ATOM 631 O ILE A 40 -0.308 -2.372 -10.099 1.00 0.00 O ATOM 632 CB ILE A 40 -0.437 -2.925 -7.135 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.011 -2.811 -5.679 1.00 0.00 C ATOM 634 CG2 ILE A 40 1.021 -3.462 -7.135 1.00 0.00 C ATOM 635 CD1 ILE A 40 -0.970 -4.077 -4.843 1.00 0.00 C ATOM 0 H ILE A 40 -2.618 -1.840 -7.848 1.00 0.00 H new ATOM 0 HA ILE A 40 0.013 -0.827 -7.224 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.030 -3.649 -7.693 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.457 -2.034 -5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.046 -2.476 -5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.052 -4.429 -6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.367 -3.574 -8.162 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.667 -2.760 -6.609 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.392 -3.877 -3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.551 -4.857 -5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.063 -4.408 -4.734 1.00 0.00 H new ATOM 647 N ARG A 41 0.977 -0.610 -9.498 1.00 0.00 N ATOM 648 CA ARG A 41 1.608 -0.383 -10.802 1.00 0.00 C ATOM 649 C ARG A 41 2.600 -1.509 -11.122 1.00 0.00 C ATOM 650 O ARG A 41 2.711 -1.964 -12.267 1.00 0.00 O ATOM 651 CB ARG A 41 2.328 0.994 -10.767 1.00 0.00 C ATOM 652 CG ARG A 41 3.033 1.391 -12.085 1.00 0.00 C ATOM 653 CD ARG A 41 3.682 2.779 -12.022 1.00 0.00 C ATOM 654 NE ARG A 41 4.275 3.155 -13.313 1.00 0.00 N ATOM 655 CZ ARG A 41 4.352 4.401 -13.802 1.00 0.00 C ATOM 656 NH1 ARG A 41 3.892 5.437 -13.110 1.00 0.00 N ATOM 657 NH2 ARG A 41 4.886 4.598 -14.997 1.00 0.00 N ATOM 0 H ARG A 41 1.308 0.029 -8.776 1.00 0.00 H new ATOM 0 HA ARG A 41 0.851 -0.380 -11.586 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.598 1.764 -10.516 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.067 0.982 -9.966 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.796 0.649 -12.320 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.308 1.371 -12.899 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.935 3.519 -11.734 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.452 2.787 -11.250 1.00 0.00 H new ATOM 0 HE ARG A 41 4.661 2.404 -13.886 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.472 5.291 -12.192 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.958 6.379 -13.497 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.234 3.806 -15.537 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.949 5.542 -15.378 1.00 0.00 H new ATOM 671 N ASN A 42 3.296 -1.959 -10.081 1.00 0.00 N ATOM 672 CA ASN A 42 4.384 -2.935 -10.192 1.00 0.00 C ATOM 673 C ASN A 42 4.615 -3.567 -8.819 1.00 0.00 C ATOM 674 O ASN A 42 4.410 -2.917 -7.797 1.00 0.00 O ATOM 675 CB ASN A 42 5.666 -2.219 -10.713 1.00 0.00 C ATOM 676 CG ASN A 42 6.910 -3.104 -10.853 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.826 -4.317 -11.067 1.00 0.00 O ATOM 678 ND2 ASN A 42 8.074 -2.496 -10.749 1.00 0.00 N ATOM 0 H ASN A 42 3.120 -1.654 -9.124 1.00 0.00 H new ATOM 0 HA ASN A 42 4.128 -3.723 -10.900 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.444 -1.779 -11.685 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.901 -1.397 -10.037 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.938 -3.029 -10.846 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.111 -1.492 -10.572 1.00 0.00 H new ATOM 685 N VAL A 43 5.043 -4.833 -8.798 1.00 0.00 N ATOM 686 CA VAL A 43 5.338 -5.568 -7.558 1.00 0.00 C ATOM 687 C VAL A 43 6.855 -5.755 -7.498 1.00 0.00 C ATOM 688 O VAL A 43 7.400 -6.735 -8.035 1.00 0.00 O ATOM 689 CB VAL A 43 4.592 -6.953 -7.481 1.00 0.00 C ATOM 690 CG1 VAL A 43 4.822 -7.657 -6.116 1.00 0.00 C ATOM 691 CG2 VAL A 43 3.085 -6.792 -7.782 1.00 0.00 C ATOM 0 H VAL A 43 5.196 -5.382 -9.644 1.00 0.00 H new ATOM 0 HA VAL A 43 4.978 -4.998 -6.702 1.00 0.00 H new ATOM 0 HB VAL A 43 5.020 -7.595 -8.251 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.291 -8.609 -6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.888 -7.834 -5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.449 -7.023 -5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.596 -7.764 -7.722 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.639 -6.115 -7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.956 -6.383 -8.784 1.00 0.00 H new ATOM 701 N VAL A 44 7.536 -4.758 -6.911 1.00 0.00 N ATOM 702 CA VAL A 44 8.995 -4.744 -6.785 1.00 0.00 C ATOM 703 C VAL A 44 9.365 -4.181 -5.401 1.00 0.00 C ATOM 704 O VAL A 44 8.778 -3.190 -4.931 1.00 0.00 O ATOM 705 CB VAL A 44 9.682 -3.911 -7.941 1.00 0.00 C ATOM 706 CG1 VAL A 44 9.401 -2.397 -7.823 1.00 0.00 C ATOM 707 CG2 VAL A 44 11.198 -4.190 -8.020 1.00 0.00 C ATOM 0 H VAL A 44 7.084 -3.936 -6.510 1.00 0.00 H new ATOM 0 HA VAL A 44 9.367 -5.764 -6.880 1.00 0.00 H new ATOM 0 HB VAL A 44 9.230 -4.248 -8.874 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.895 -1.871 -8.640 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.327 -2.221 -7.875 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.783 -2.029 -6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.635 -3.600 -8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.668 -3.918 -7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.363 -5.250 -8.215 1.00 0.00 H new ATOM 717 N GLU A 45 10.321 -4.838 -4.746 1.00 0.00 N ATOM 718 CA GLU A 45 10.754 -4.481 -3.390 1.00 0.00 C ATOM 719 C GLU A 45 12.029 -3.648 -3.438 1.00 0.00 C ATOM 720 O GLU A 45 12.086 -2.545 -2.873 1.00 0.00 O ATOM 721 CB GLU A 45 10.984 -5.775 -2.557 1.00 0.00 C ATOM 722 CG GLU A 45 9.768 -6.716 -2.515 1.00 0.00 C ATOM 723 CD GLU A 45 9.977 -7.949 -1.638 1.00 0.00 C ATOM 724 OE1 GLU A 45 10.489 -8.974 -2.144 1.00 0.00 O ATOM 725 OE2 GLU A 45 9.643 -7.902 -0.435 1.00 0.00 O ATOM 0 H GLU A 45 10.820 -5.636 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 45 9.975 -3.884 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.835 -6.316 -2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.250 -5.496 -1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.904 -6.162 -2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.533 -7.038 -3.530 1.00 0.00 H new ATOM 732 N ASN A 46 13.040 -4.223 -4.126 1.00 0.00 N ATOM 733 CA ASN A 46 14.424 -3.705 -4.178 1.00 0.00 C ATOM 734 C ASN A 46 15.018 -3.631 -2.761 1.00 0.00 C ATOM 735 O ASN A 46 15.854 -2.778 -2.449 1.00 0.00 O ATOM 736 CB ASN A 46 14.479 -2.355 -4.954 1.00 0.00 C ATOM 737 CG ASN A 46 14.115 -2.526 -6.436 1.00 0.00 C ATOM 738 OD1 ASN A 46 13.410 -1.567 -6.999 1.00 0.00 O flip ATOM 739 ND2 ASN A 46 14.441 -3.537 -7.059 1.00 0.00 N flip ATOM 0 H ASN A 46 12.914 -5.076 -4.671 1.00 0.00 H new ATOM 0 HA ASN A 46 15.054 -4.396 -4.739 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.794 -1.644 -4.493 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.480 -1.931 -4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.987 -4.265 -6.599 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.165 -3.646 -8.035 1.00 0.00 H new ATOM 746 N THR A 47 14.569 -4.583 -1.916 1.00 0.00 N ATOM 747 CA THR A 47 15.046 -4.772 -0.547 1.00 0.00 C ATOM 748 C THR A 47 16.204 -5.794 -0.544 1.00 0.00 C ATOM 749 O THR A 47 17.328 -5.475 -0.141 1.00 0.00 O ATOM 750 CB THR A 47 13.864 -5.251 0.371 1.00 0.00 C ATOM 751 OG1 THR A 47 13.257 -6.432 -0.185 1.00 0.00 O ATOM 752 CG2 THR A 47 12.780 -4.170 0.536 1.00 0.00 C ATOM 0 H THR A 47 13.847 -5.253 -2.182 1.00 0.00 H new ATOM 0 HA THR A 47 15.417 -3.827 -0.151 1.00 0.00 H new ATOM 0 HB THR A 47 14.289 -5.463 1.352 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.522 -6.726 0.393 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.984 -4.548 1.178 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.219 -3.280 0.987 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.368 -3.916 -0.441 1.00 0.00 H new ATOM 760 N ALA A 48 15.908 -7.016 -1.023 1.00 0.00 N ATOM 761 CA ALA A 48 16.900 -8.094 -1.168 1.00 0.00 C ATOM 762 C ALA A 48 16.423 -9.088 -2.237 1.00 0.00 C ATOM 763 O ALA A 48 15.911 -10.168 -1.910 1.00 0.00 O ATOM 764 CB ALA A 48 17.167 -8.792 0.189 1.00 0.00 C ATOM 0 H ALA A 48 14.970 -7.283 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 48 17.849 -7.667 -1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 48 17.903 -9.584 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.547 -8.063 0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.239 -9.221 0.566 1.00 0.00 H new ATOM 770 N ASN A 49 16.561 -8.664 -3.515 1.00 0.00 N ATOM 771 CA ASN A 49 16.210 -9.462 -4.712 1.00 0.00 C ATOM 772 C ASN A 49 14.681 -9.755 -4.767 1.00 0.00 C ATOM 773 O ASN A 49 14.205 -10.706 -4.138 1.00 0.00 O ATOM 774 CB ASN A 49 17.062 -10.768 -4.802 1.00 0.00 C ATOM 775 CG ASN A 49 18.566 -10.517 -4.980 1.00 0.00 C ATOM 776 OD1 ASN A 49 19.096 -9.472 -4.590 1.00 0.00 O ATOM 777 ND2 ASN A 49 19.272 -11.478 -5.545 1.00 0.00 N ATOM 0 H ASN A 49 16.926 -7.740 -3.747 1.00 0.00 H new ATOM 0 HA ASN A 49 16.455 -8.866 -5.591 1.00 0.00 H new ATOM 0 HB2 ASN A 49 16.906 -11.355 -3.897 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.702 -11.368 -5.638 1.00 0.00 H new ATOM 0 HD21 ASN A 49 20.278 -11.367 -5.668 1.00 0.00 H new ATOM 0 HD22 ASN A 49 18.811 -12.332 -5.859 1.00 0.00 H new ATOM 784 N PRO A 50 13.880 -8.919 -5.511 1.00 0.00 N ATOM 785 CA PRO A 50 12.405 -9.080 -5.613 1.00 0.00 C ATOM 786 C PRO A 50 11.991 -10.271 -6.504 1.00 0.00 C ATOM 787 O PRO A 50 10.898 -10.825 -6.352 1.00 0.00 O ATOM 788 CB PRO A 50 11.930 -7.728 -6.243 1.00 0.00 C ATOM 789 CG PRO A 50 13.147 -6.843 -6.277 1.00 0.00 C ATOM 790 CD PRO A 50 14.336 -7.762 -6.315 1.00 0.00 C ATOM 0 HA PRO A 50 11.957 -9.294 -4.642 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.530 -7.882 -7.245 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.135 -7.277 -5.649 1.00 0.00 H new ATOM 0 HG2 PRO A 50 13.130 -6.192 -7.151 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.183 -6.197 -5.400 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.591 -8.053 -7.334 1.00 0.00 H new ATOM 0 HD3 PRO A 50 15.222 -7.295 -5.886 1.00 0.00 H new ATOM 798 N HIS A 51 12.876 -10.640 -7.446 1.00 0.00 N ATOM 799 CA HIS A 51 12.609 -11.683 -8.442 1.00 0.00 C ATOM 800 C HIS A 51 13.132 -13.041 -7.920 1.00 0.00 C ATOM 801 O HIS A 51 14.260 -13.450 -8.213 1.00 0.00 O ATOM 802 CB HIS A 51 13.255 -11.300 -9.807 1.00 0.00 C ATOM 803 CG HIS A 51 12.717 -10.026 -10.423 1.00 0.00 C ATOM 804 ND1 HIS A 51 11.975 -10.009 -11.585 1.00 0.00 N ATOM 805 CD2 HIS A 51 12.834 -8.721 -10.048 1.00 0.00 C ATOM 806 CE1 HIS A 51 11.661 -8.769 -11.889 1.00 0.00 C ATOM 807 NE2 HIS A 51 12.172 -7.970 -10.980 1.00 0.00 N ATOM 0 H HIS A 51 13.801 -10.219 -7.535 1.00 0.00 H new ATOM 0 HA HIS A 51 11.535 -11.773 -8.604 1.00 0.00 H new ATOM 0 HB2 HIS A 51 14.331 -11.195 -9.668 1.00 0.00 H new ATOM 0 HB3 HIS A 51 13.103 -12.120 -10.509 1.00 0.00 H new ATOM 0 HD2 HIS A 51 13.353 -8.349 -9.177 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.079 -8.459 -12.744 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.089 -6.953 -10.971 1.00 0.00 H new ATOM 816 N PHE A 52 12.318 -13.681 -7.076 1.00 0.00 N ATOM 817 CA PHE A 52 12.560 -15.055 -6.566 1.00 0.00 C ATOM 818 C PHE A 52 11.457 -16.011 -7.063 1.00 0.00 C ATOM 819 O PHE A 52 11.432 -17.192 -6.701 1.00 0.00 O ATOM 820 CB PHE A 52 12.657 -15.044 -5.011 1.00 0.00 C ATOM 821 CG PHE A 52 11.481 -14.371 -4.295 1.00 0.00 C ATOM 822 CD1 PHE A 52 10.349 -15.096 -3.928 1.00 0.00 C ATOM 823 CD2 PHE A 52 11.517 -13.008 -3.988 1.00 0.00 C ATOM 824 CE1 PHE A 52 9.294 -14.487 -3.288 1.00 0.00 C ATOM 825 CE2 PHE A 52 10.460 -12.398 -3.346 1.00 0.00 C ATOM 826 CZ PHE A 52 9.349 -13.135 -2.994 1.00 0.00 C ATOM 0 H PHE A 52 11.459 -13.264 -6.717 1.00 0.00 H new ATOM 0 HA PHE A 52 13.512 -15.419 -6.954 1.00 0.00 H new ATOM 0 HB2 PHE A 52 12.737 -16.073 -4.659 1.00 0.00 H new ATOM 0 HB3 PHE A 52 13.577 -14.536 -4.723 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.299 -16.152 -4.149 1.00 0.00 H new ATOM 0 HD2 PHE A 52 12.385 -12.424 -4.257 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.423 -15.064 -3.015 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.502 -11.343 -3.119 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.522 -12.658 -2.489 1.00 0.00 H new ATOM 836 N VAL A 53 10.573 -15.480 -7.921 1.00 0.00 N ATOM 837 CA VAL A 53 9.421 -16.203 -8.486 1.00 0.00 C ATOM 838 C VAL A 53 9.027 -15.547 -9.827 1.00 0.00 C ATOM 839 O VAL A 53 9.239 -14.340 -10.004 1.00 0.00 O ATOM 840 CB VAL A 53 8.203 -16.199 -7.469 1.00 0.00 C ATOM 841 CG1 VAL A 53 7.799 -14.759 -7.057 1.00 0.00 C ATOM 842 CG2 VAL A 53 6.987 -16.991 -8.018 1.00 0.00 C ATOM 0 H VAL A 53 10.639 -14.516 -8.249 1.00 0.00 H new ATOM 0 HA VAL A 53 9.694 -17.243 -8.663 1.00 0.00 H new ATOM 0 HB VAL A 53 8.544 -16.711 -6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.962 -14.801 -6.360 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.645 -14.267 -6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.506 -14.196 -7.943 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.176 -16.963 -7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.652 -16.541 -8.953 1.00 0.00 H new ATOM 0 HG23 VAL A 53 7.278 -18.026 -8.197 1.00 0.00 H new ATOM 852 N ARG A 54 8.494 -16.355 -10.772 1.00 0.00 N ATOM 853 CA ARG A 54 8.047 -15.868 -12.092 1.00 0.00 C ATOM 854 C ARG A 54 6.884 -14.868 -11.940 1.00 0.00 C ATOM 855 O ARG A 54 7.021 -13.681 -12.287 1.00 0.00 O ATOM 856 CB ARG A 54 7.636 -17.058 -12.999 1.00 0.00 C ATOM 857 CG ARG A 54 7.107 -16.650 -14.394 1.00 0.00 C ATOM 858 CD ARG A 54 6.637 -17.852 -15.224 1.00 0.00 C ATOM 859 NE ARG A 54 6.039 -17.446 -16.503 1.00 0.00 N ATOM 860 CZ ARG A 54 5.293 -18.229 -17.295 1.00 0.00 C ATOM 861 NH1 ARG A 54 4.994 -19.479 -16.944 1.00 0.00 N ATOM 862 NH2 ARG A 54 4.819 -17.750 -18.435 1.00 0.00 N ATOM 0 H ARG A 54 8.363 -17.358 -10.639 1.00 0.00 H new ATOM 0 HA ARG A 54 8.879 -15.348 -12.566 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.497 -17.714 -13.129 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.867 -17.639 -12.489 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.280 -15.951 -14.274 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.893 -16.124 -14.936 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.483 -18.513 -15.414 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.908 -18.425 -14.650 1.00 0.00 H new ATOM 0 HE ARG A 54 6.205 -16.489 -16.814 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.334 -19.855 -16.059 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.425 -20.059 -17.560 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.022 -16.788 -18.708 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.251 -18.343 -19.040 1.00 0.00 H new ATOM 876 N ARG A 55 5.739 -15.361 -11.428 1.00 0.00 N ATOM 877 CA ARG A 55 4.575 -14.514 -11.146 1.00 0.00 C ATOM 878 C ARG A 55 4.773 -13.844 -9.790 1.00 0.00 C ATOM 879 O ARG A 55 5.075 -14.527 -8.812 1.00 0.00 O ATOM 880 CB ARG A 55 3.257 -15.334 -11.159 1.00 0.00 C ATOM 881 CG ARG A 55 1.978 -14.483 -10.978 1.00 0.00 C ATOM 882 CD ARG A 55 0.681 -15.311 -11.042 1.00 0.00 C ATOM 883 NE ARG A 55 -0.514 -14.445 -10.961 1.00 0.00 N ATOM 884 CZ ARG A 55 -1.642 -14.715 -10.278 1.00 0.00 C ATOM 885 NH1 ARG A 55 -1.738 -15.797 -9.524 1.00 0.00 N ATOM 886 NH2 ARG A 55 -2.674 -13.887 -10.346 1.00 0.00 N ATOM 0 H ARG A 55 5.601 -16.346 -11.202 1.00 0.00 H new ATOM 0 HA ARG A 55 4.491 -13.758 -11.927 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.189 -15.876 -12.102 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.299 -16.080 -10.365 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.025 -13.968 -10.018 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.949 -13.715 -11.751 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.657 -15.882 -11.970 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.666 -16.032 -10.224 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.481 -13.561 -11.469 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.950 -16.441 -9.454 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.600 -15.987 -9.013 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.614 -13.044 -10.917 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.528 -14.093 -9.828 1.00 0.00 H new ATOM 900 N ASN A 56 4.592 -12.515 -9.742 1.00 0.00 N ATOM 901 CA ASN A 56 4.814 -11.713 -8.534 1.00 0.00 C ATOM 902 C ASN A 56 3.612 -11.829 -7.577 1.00 0.00 C ATOM 903 O ASN A 56 2.787 -10.908 -7.477 1.00 0.00 O ATOM 904 CB ASN A 56 5.084 -10.242 -8.927 1.00 0.00 C ATOM 905 CG ASN A 56 6.347 -10.061 -9.765 1.00 0.00 C ATOM 906 OD1 ASN A 56 6.295 -10.068 -11.001 1.00 0.00 O ATOM 907 ND2 ASN A 56 7.490 -9.900 -9.107 1.00 0.00 N ATOM 0 H ASN A 56 4.286 -11.966 -10.545 1.00 0.00 H new ATOM 0 HA ASN A 56 5.689 -12.093 -8.006 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.229 -9.860 -9.485 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.168 -9.641 -8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.362 -9.777 -9.622 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.496 -9.899 -8.087 1.00 0.00 H new ATOM 914 N ILE A 57 3.471 -13.029 -6.972 1.00 0.00 N ATOM 915 CA ILE A 57 2.522 -13.284 -5.891 1.00 0.00 C ATOM 916 C ILE A 57 2.750 -12.285 -4.742 1.00 0.00 C ATOM 917 O ILE A 57 3.768 -12.354 -4.032 1.00 0.00 O ATOM 918 CB ILE A 57 2.652 -14.765 -5.369 1.00 0.00 C ATOM 919 CG1 ILE A 57 2.438 -15.789 -6.534 1.00 0.00 C ATOM 920 CG2 ILE A 57 1.676 -15.051 -4.191 1.00 0.00 C ATOM 921 CD1 ILE A 57 1.085 -15.699 -7.237 1.00 0.00 C ATOM 0 H ILE A 57 4.022 -13.848 -7.230 1.00 0.00 H new ATOM 0 HA ILE A 57 1.512 -13.150 -6.278 1.00 0.00 H new ATOM 0 HB ILE A 57 3.666 -14.887 -4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.225 -15.643 -7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.557 -16.797 -6.137 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.797 -16.083 -3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.897 -14.376 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.650 -14.895 -4.523 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.035 -16.448 -8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.288 -15.878 -6.516 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.966 -14.706 -7.671 1.00 0.00 H new ATOM 933 N ILE A 58 1.819 -11.330 -4.622 1.00 0.00 N ATOM 934 CA ILE A 58 1.830 -10.328 -3.560 1.00 0.00 C ATOM 935 C ILE A 58 1.579 -11.027 -2.219 1.00 0.00 C ATOM 936 O ILE A 58 0.586 -11.748 -2.069 1.00 0.00 O ATOM 937 CB ILE A 58 0.753 -9.215 -3.817 1.00 0.00 C ATOM 938 CG1 ILE A 58 1.015 -8.541 -5.202 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.733 -8.165 -2.670 1.00 0.00 C ATOM 940 CD1 ILE A 58 0.050 -7.439 -5.563 1.00 0.00 C ATOM 0 H ILE A 58 1.034 -11.234 -5.266 1.00 0.00 H new ATOM 0 HA ILE A 58 2.803 -9.836 -3.542 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.232 -9.681 -3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.026 -8.135 -5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.975 -9.307 -5.976 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.024 -7.410 -2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.499 -8.660 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.710 -7.688 -2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.311 -7.032 -6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.963 -7.839 -5.596 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.104 -6.648 -4.815 1.00 0.00 H new ATOM 952 N THR A 59 2.511 -10.845 -1.285 1.00 0.00 N ATOM 953 CA THR A 59 2.492 -11.476 0.035 1.00 0.00 C ATOM 954 C THR A 59 2.590 -10.399 1.123 1.00 0.00 C ATOM 955 O THR A 59 2.995 -9.264 0.846 1.00 0.00 O ATOM 956 CB THR A 59 3.681 -12.486 0.153 1.00 0.00 C ATOM 957 OG1 THR A 59 4.908 -11.839 -0.229 1.00 0.00 O ATOM 958 CG2 THR A 59 3.479 -13.738 -0.724 1.00 0.00 C ATOM 0 H THR A 59 3.320 -10.240 -1.428 1.00 0.00 H new ATOM 0 HA THR A 59 1.557 -12.021 0.166 1.00 0.00 H new ATOM 0 HB THR A 59 3.725 -12.810 1.193 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.650 -12.474 -0.152 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.332 -14.407 -0.606 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.569 -14.254 -0.418 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.394 -13.440 -1.769 1.00 0.00 H new ATOM 966 N ARG A 60 2.197 -10.761 2.354 1.00 0.00 N ATOM 967 CA ARG A 60 2.315 -9.884 3.529 1.00 0.00 C ATOM 968 C ARG A 60 3.808 -9.719 3.901 1.00 0.00 C ATOM 969 O ARG A 60 4.521 -10.717 4.067 1.00 0.00 O ATOM 970 CB ARG A 60 1.499 -10.474 4.708 1.00 0.00 C ATOM 971 CG ARG A 60 1.563 -9.660 6.022 1.00 0.00 C ATOM 972 CD ARG A 60 0.813 -10.359 7.164 1.00 0.00 C ATOM 973 NE ARG A 60 1.334 -11.723 7.385 1.00 0.00 N ATOM 974 CZ ARG A 60 0.773 -12.662 8.163 1.00 0.00 C ATOM 975 NH1 ARG A 60 -0.312 -12.404 8.882 1.00 0.00 N ATOM 976 NH2 ARG A 60 1.317 -13.869 8.231 1.00 0.00 N ATOM 0 H ARG A 60 1.788 -11.672 2.563 1.00 0.00 H new ATOM 0 HA ARG A 60 1.909 -8.899 3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.456 -10.559 4.402 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.856 -11.485 4.907 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.605 -9.513 6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.135 -8.671 5.858 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.912 -9.776 8.079 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.251 -10.406 6.930 1.00 0.00 H new ATOM 0 HE ARG A 60 2.197 -11.974 6.903 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.736 -11.477 8.850 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.722 -13.133 9.466 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.158 -14.080 7.694 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.895 -14.586 8.821 1.00 0.00 H new ATOM 990 N GLY A 61 4.265 -8.459 4.025 1.00 0.00 N ATOM 991 CA GLY A 61 5.684 -8.145 4.231 1.00 0.00 C ATOM 992 C GLY A 61 6.389 -7.713 2.953 1.00 0.00 C ATOM 993 O GLY A 61 7.489 -7.150 3.019 1.00 0.00 O ATOM 0 H GLY A 61 3.662 -7.637 3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.771 -7.352 4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.189 -9.020 4.640 1.00 0.00 H new ATOM 997 N ALA A 62 5.762 -7.994 1.793 1.00 0.00 N ATOM 998 CA ALA A 62 6.316 -7.623 0.476 1.00 0.00 C ATOM 999 C ALA A 62 6.056 -6.141 0.175 1.00 0.00 C ATOM 1000 O ALA A 62 5.094 -5.552 0.692 1.00 0.00 O ATOM 1001 CB ALA A 62 5.723 -8.506 -0.632 1.00 0.00 C ATOM 0 H ALA A 62 4.866 -8.480 1.742 1.00 0.00 H new ATOM 0 HA ALA A 62 7.394 -7.785 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.145 -8.215 -1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.962 -9.551 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.641 -8.380 -0.658 1.00 0.00 H new ATOM 1007 N VAL A 63 6.930 -5.550 -0.647 1.00 0.00 N ATOM 1008 CA VAL A 63 6.779 -4.167 -1.112 1.00 0.00 C ATOM 1009 C VAL A 63 6.151 -4.156 -2.512 1.00 0.00 C ATOM 1010 O VAL A 63 6.653 -4.795 -3.447 1.00 0.00 O ATOM 1011 CB VAL A 63 8.145 -3.399 -1.140 1.00 0.00 C ATOM 1012 CG1 VAL A 63 7.981 -1.949 -1.650 1.00 0.00 C ATOM 1013 CG2 VAL A 63 8.842 -3.433 0.238 1.00 0.00 C ATOM 0 H VAL A 63 7.762 -6.017 -1.009 1.00 0.00 H new ATOM 0 HA VAL A 63 6.127 -3.653 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 63 8.788 -3.920 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.951 -1.453 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.577 -1.963 -2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.299 -1.408 -0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.786 -2.891 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.199 -2.965 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.034 -4.467 0.523 1.00 0.00 H new ATOM 1023 N VAL A 64 5.036 -3.437 -2.632 1.00 0.00 N ATOM 1024 CA VAL A 64 4.351 -3.205 -3.899 1.00 0.00 C ATOM 1025 C VAL A 64 4.323 -1.693 -4.186 1.00 0.00 C ATOM 1026 O VAL A 64 4.077 -0.889 -3.289 1.00 0.00 O ATOM 1027 CB VAL A 64 2.893 -3.796 -3.866 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.922 -5.338 -3.788 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.061 -3.211 -2.698 1.00 0.00 C ATOM 0 H VAL A 64 4.577 -2.993 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 64 4.891 -3.714 -4.698 1.00 0.00 H new ATOM 0 HB VAL A 64 2.408 -3.504 -4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.902 -5.720 -3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.441 -5.737 -4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.444 -5.647 -2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.061 -3.645 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.547 -3.447 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.989 -2.129 -2.809 1.00 0.00 H new ATOM 1039 N GLU A 65 4.562 -1.314 -5.439 1.00 0.00 N ATOM 1040 CA GLU A 65 4.579 0.101 -5.855 1.00 0.00 C ATOM 1041 C GLU A 65 3.253 0.437 -6.542 1.00 0.00 C ATOM 1042 O GLU A 65 2.740 -0.354 -7.337 1.00 0.00 O ATOM 1043 CB GLU A 65 5.786 0.419 -6.767 1.00 0.00 C ATOM 1044 CG GLU A 65 5.888 1.922 -7.127 1.00 0.00 C ATOM 1045 CD GLU A 65 7.194 2.305 -7.821 1.00 0.00 C ATOM 1046 OE1 GLU A 65 8.238 2.327 -7.140 1.00 0.00 O ATOM 1047 OE2 GLU A 65 7.185 2.603 -9.032 1.00 0.00 O ATOM 0 H GLU A 65 4.749 -1.970 -6.197 1.00 0.00 H new ATOM 0 HA GLU A 65 4.693 0.726 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.704 0.106 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.706 -0.165 -7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.052 2.188 -7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.786 2.512 -6.216 1.00 0.00 H new ATOM 1054 N THR A 66 2.701 1.613 -6.216 1.00 0.00 N ATOM 1055 CA THR A 66 1.344 2.005 -6.596 1.00 0.00 C ATOM 1056 C THR A 66 1.360 3.392 -7.255 1.00 0.00 C ATOM 1057 O THR A 66 2.436 3.956 -7.513 1.00 0.00 O ATOM 1058 CB THR A 66 0.415 2.017 -5.327 1.00 0.00 C ATOM 1059 OG1 THR A 66 0.862 3.017 -4.393 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.376 0.647 -4.615 1.00 0.00 C ATOM 0 H THR A 66 3.192 2.325 -5.675 1.00 0.00 H new ATOM 0 HA THR A 66 0.953 1.282 -7.313 1.00 0.00 H new ATOM 0 HB THR A 66 -0.592 2.247 -5.675 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.765 2.795 -4.083 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.279 0.707 -3.746 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.002 -0.110 -5.302 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.381 0.375 -4.294 1.00 0.00 H new ATOM 1068 N ASN A 67 0.156 3.934 -7.522 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.022 5.313 -8.019 1.00 0.00 C ATOM 1070 C ASN A 67 0.354 6.361 -6.948 1.00 0.00 C ATOM 1071 O ASN A 67 0.444 7.554 -7.257 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.485 5.536 -8.495 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.870 4.713 -9.736 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -1.350 3.620 -9.969 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -2.780 5.234 -10.539 1.00 0.00 N ATOM 0 H ASN A 67 -0.721 3.428 -7.399 1.00 0.00 H new ATOM 0 HA ASN A 67 0.653 5.444 -8.865 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.164 5.285 -7.680 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.628 6.594 -8.714 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.069 4.730 -11.377 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.193 6.141 -10.321 1.00 0.00 H new ATOM 1082 N LEU A 68 0.577 5.912 -5.693 1.00 0.00 N ATOM 1083 CA LEU A 68 0.941 6.786 -4.562 1.00 0.00 C ATOM 1084 C LEU A 68 2.428 6.605 -4.198 1.00 0.00 C ATOM 1085 O LEU A 68 3.145 7.588 -3.992 1.00 0.00 O ATOM 1086 CB LEU A 68 0.026 6.455 -3.365 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.501 6.685 -3.621 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.354 6.153 -2.462 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.808 8.181 -3.885 1.00 0.00 C ATOM 0 H LEU A 68 0.508 4.927 -5.438 1.00 0.00 H new ATOM 0 HA LEU A 68 0.800 7.831 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.180 5.413 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.332 7.062 -2.513 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.766 6.121 -4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.408 6.330 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.182 5.083 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.078 6.667 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.876 8.308 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.509 8.772 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.255 8.517 -4.762 1.00 0.00 H new ATOM 1101 N GLY A 69 2.874 5.342 -4.107 1.00 0.00 N ATOM 1102 CA GLY A 69 4.286 5.024 -3.871 1.00 0.00 C ATOM 1103 C GLY A 69 4.496 3.567 -3.505 1.00 0.00 C ATOM 1104 O GLY A 69 3.614 2.732 -3.726 1.00 0.00 O ATOM 0 H GLY A 69 2.272 4.523 -4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.863 5.258 -4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.669 5.656 -3.070 1.00 0.00 H new ATOM 1108 N ASN A 70 5.682 3.251 -2.964 1.00 0.00 N ATOM 1109 CA ASN A 70 6.007 1.899 -2.459 1.00 0.00 C ATOM 1110 C ASN A 70 5.258 1.650 -1.140 1.00 0.00 C ATOM 1111 O ASN A 70 5.136 2.559 -0.320 1.00 0.00 O ATOM 1112 CB ASN A 70 7.534 1.744 -2.261 1.00 0.00 C ATOM 1113 CG ASN A 70 8.310 1.935 -3.564 1.00 0.00 C ATOM 1114 OD1 ASN A 70 8.720 3.043 -3.890 1.00 0.00 O ATOM 1115 ND2 ASN A 70 8.505 0.864 -4.324 1.00 0.00 N ATOM 0 H ASN A 70 6.445 3.921 -2.862 1.00 0.00 H new ATOM 0 HA ASN A 70 5.689 1.158 -3.192 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.878 2.471 -1.526 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.747 0.755 -1.855 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.009 0.950 -5.207 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.151 -0.045 -4.025 1.00 0.00 H new ATOM 1122 N VAL A 71 4.727 0.426 -0.960 1.00 0.00 N ATOM 1123 CA VAL A 71 3.819 0.080 0.155 1.00 0.00 C ATOM 1124 C VAL A 71 4.233 -1.270 0.786 1.00 0.00 C ATOM 1125 O VAL A 71 4.618 -2.187 0.068 1.00 0.00 O ATOM 1126 CB VAL A 71 2.328 -0.030 -0.373 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.330 -0.352 0.757 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.893 1.244 -1.131 1.00 0.00 C ATOM 0 H VAL A 71 4.916 -0.357 -1.586 1.00 0.00 H new ATOM 0 HA VAL A 71 3.884 0.865 0.908 1.00 0.00 H new ATOM 0 HB VAL A 71 2.314 -0.865 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.323 -0.417 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.596 -1.304 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.364 0.437 1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.866 1.129 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.957 2.104 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.549 1.399 -1.988 1.00 0.00 H new ATOM 1138 N ARG A 72 4.125 -1.381 2.126 1.00 0.00 N ATOM 1139 CA ARG A 72 4.298 -2.663 2.848 1.00 0.00 C ATOM 1140 C ARG A 72 2.921 -3.287 3.009 1.00 0.00 C ATOM 1141 O ARG A 72 2.033 -2.640 3.565 1.00 0.00 O ATOM 1142 CB ARG A 72 4.933 -2.488 4.274 1.00 0.00 C ATOM 1143 CG ARG A 72 6.469 -2.557 4.364 1.00 0.00 C ATOM 1144 CD ARG A 72 7.061 -3.818 3.697 1.00 0.00 C ATOM 1145 NE ARG A 72 8.408 -4.144 4.207 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.540 -3.440 4.001 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.559 -2.360 3.232 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.664 -3.848 4.575 1.00 0.00 N ATOM 0 H ARG A 72 3.917 -0.591 2.737 1.00 0.00 H new ATOM 0 HA ARG A 72 4.979 -3.287 2.268 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.612 -1.526 4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.520 -3.257 4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.894 -1.671 3.893 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.767 -2.535 5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.395 -4.664 3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.110 -3.666 2.619 1.00 0.00 H new ATOM 0 HE ARG A 72 8.491 -4.988 4.773 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.703 -2.042 2.778 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.430 -1.847 3.094 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.663 -4.682 5.162 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.529 -3.327 4.430 1.00 0.00 H new ATOM 1162 N VAL A 73 2.746 -4.529 2.552 1.00 0.00 N ATOM 1163 CA VAL A 73 1.475 -5.245 2.711 1.00 0.00 C ATOM 1164 C VAL A 73 1.371 -5.729 4.171 1.00 0.00 C ATOM 1165 O VAL A 73 1.982 -6.728 4.551 1.00 0.00 O ATOM 1166 CB VAL A 73 1.366 -6.447 1.704 1.00 0.00 C ATOM 1167 CG1 VAL A 73 0.005 -7.172 1.826 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.616 -5.973 0.253 1.00 0.00 C ATOM 0 H VAL A 73 3.469 -5.062 2.068 1.00 0.00 H new ATOM 0 HA VAL A 73 0.646 -4.574 2.486 1.00 0.00 H new ATOM 0 HB VAL A 73 2.142 -7.167 1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.033 -7.997 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.111 -7.560 2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.801 -6.471 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.535 -6.822 -0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.875 -5.221 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.614 -5.542 0.178 1.00 0.00 H new ATOM 1178 N THR A 74 0.654 -4.955 4.993 1.00 0.00 N ATOM 1179 CA THR A 74 0.480 -5.231 6.430 1.00 0.00 C ATOM 1180 C THR A 74 -0.589 -6.307 6.688 1.00 0.00 C ATOM 1181 O THR A 74 -0.439 -7.151 7.582 1.00 0.00 O ATOM 1182 CB THR A 74 0.106 -3.915 7.176 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.008 -3.292 6.511 1.00 0.00 O ATOM 1184 CG2 THR A 74 1.294 -2.935 7.210 1.00 0.00 C ATOM 0 H THR A 74 0.173 -4.112 4.681 1.00 0.00 H new ATOM 0 HA THR A 74 1.426 -5.616 6.811 1.00 0.00 H new ATOM 0 HB THR A 74 -0.159 -4.166 8.203 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.247 -2.465 6.979 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.002 -2.027 7.737 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.134 -3.399 7.726 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.588 -2.684 6.191 1.00 0.00 H new ATOM 1192 N SER A 75 -1.666 -6.256 5.897 1.00 0.00 N ATOM 1193 CA SER A 75 -2.790 -7.205 5.993 1.00 0.00 C ATOM 1194 C SER A 75 -2.553 -8.414 5.072 1.00 0.00 C ATOM 1195 O SER A 75 -1.488 -8.536 4.453 1.00 0.00 O ATOM 1196 CB SER A 75 -4.102 -6.475 5.636 1.00 0.00 C ATOM 1197 OG SER A 75 -5.247 -7.281 5.865 1.00 0.00 O ATOM 0 H SER A 75 -1.787 -5.553 5.167 1.00 0.00 H new ATOM 0 HA SER A 75 -2.866 -7.582 7.013 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.179 -5.562 6.226 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.075 -6.176 4.588 1.00 0.00 H new ATOM 0 HG SER A 75 -5.612 -7.581 5.007 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.541 -9.323 5.009 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.495 -10.493 4.129 1.00 0.00 C ATOM 1205 C ARG A 76 -3.973 -10.079 2.715 1.00 0.00 C ATOM 1206 O ARG A 76 -5.145 -9.703 2.546 1.00 0.00 O ATOM 1207 CB ARG A 76 -4.356 -11.631 4.717 1.00 0.00 C ATOM 1208 CG ARG A 76 -3.900 -12.091 6.114 1.00 0.00 C ATOM 1209 CD ARG A 76 -4.710 -13.275 6.654 1.00 0.00 C ATOM 1210 NE ARG A 76 -4.188 -13.720 7.957 1.00 0.00 N ATOM 1211 CZ ARG A 76 -4.077 -14.995 8.363 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -4.450 -15.995 7.583 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -3.583 -15.258 9.556 1.00 0.00 N ATOM 0 H ARG A 76 -4.392 -9.263 5.568 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.474 -10.867 4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.393 -11.299 4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.331 -12.483 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.847 -12.369 6.072 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.982 -11.256 6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.757 -12.988 6.756 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.674 -14.100 5.943 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.884 -12.996 8.608 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.830 -15.804 6.656 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.358 -16.957 7.908 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.288 -14.495 10.165 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.496 -16.224 9.870 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.055 -10.111 1.691 1.00 0.00 N ATOM 1228 CA PRO A 77 -3.324 -9.562 0.341 1.00 0.00 C ATOM 1229 C PRO A 77 -4.385 -10.365 -0.443 1.00 0.00 C ATOM 1230 O PRO A 77 -4.418 -11.602 -0.381 1.00 0.00 O ATOM 1231 CB PRO A 77 -1.932 -9.633 -0.349 1.00 0.00 C ATOM 1232 CG PRO A 77 -1.234 -10.759 0.343 1.00 0.00 C ATOM 1233 CD PRO A 77 -1.681 -10.687 1.780 1.00 0.00 C ATOM 0 HA PRO A 77 -3.742 -8.556 0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.027 -9.821 -1.418 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.385 -8.697 -0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.499 -11.718 -0.103 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.152 -10.658 0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.688 -11.672 2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.020 -10.057 2.375 1.00 0.00 H new ATOM 1241 N GLY A 78 -5.241 -9.635 -1.183 1.00 0.00 N ATOM 1242 CA GLY A 78 -6.277 -10.242 -2.023 1.00 0.00 C ATOM 1243 C GLY A 78 -7.538 -10.602 -1.250 1.00 0.00 C ATOM 1244 O GLY A 78 -8.336 -11.422 -1.720 1.00 0.00 O ATOM 0 H GLY A 78 -5.230 -8.615 -1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.535 -9.552 -2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.876 -11.141 -2.491 1.00 0.00 H new ATOM 1248 N GLN A 79 -7.712 -9.989 -0.055 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.908 -10.192 0.780 1.00 0.00 C ATOM 1250 C GLN A 79 -10.124 -9.510 0.108 1.00 0.00 C ATOM 1251 O GLN A 79 -10.232 -8.283 0.094 1.00 0.00 O ATOM 1252 CB GLN A 79 -8.666 -9.690 2.239 1.00 0.00 C ATOM 1253 CG GLN A 79 -8.227 -8.211 2.397 1.00 0.00 C ATOM 1254 CD GLN A 79 -8.016 -7.758 3.850 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -7.503 -8.643 4.704 1.00 0.00 O flip ATOM 1256 NE2 GLN A 79 -8.275 -6.601 4.194 1.00 0.00 N flip ATOM 0 H GLN A 79 -7.031 -9.347 0.350 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.123 -11.258 0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.585 -9.836 2.807 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.905 -10.323 2.696 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.299 -8.060 1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.980 -7.571 1.936 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.667 -5.944 3.519 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.097 -6.302 5.153 1.00 0.00 H new ATOM 1265 N ASP A 80 -10.984 -10.343 -0.522 1.00 0.00 N ATOM 1266 CA ASP A 80 -12.147 -9.889 -1.325 1.00 0.00 C ATOM 1267 C ASP A 80 -11.687 -9.080 -2.547 1.00 0.00 C ATOM 1268 O ASP A 80 -12.322 -8.096 -2.942 1.00 0.00 O ATOM 1269 CB ASP A 80 -13.171 -9.090 -0.465 1.00 0.00 C ATOM 1270 CG ASP A 80 -13.899 -9.973 0.547 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -14.774 -10.762 0.130 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -13.590 -9.905 1.755 1.00 0.00 O ATOM 0 H ASP A 80 -10.891 -11.358 -0.488 1.00 0.00 H new ATOM 0 HA ASP A 80 -12.663 -10.779 -1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.652 -8.290 0.063 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.901 -8.617 -1.122 1.00 0.00 H new ATOM 1277 N GLY A 81 -10.615 -9.575 -3.179 1.00 0.00 N ATOM 1278 CA GLY A 81 -9.986 -8.899 -4.303 1.00 0.00 C ATOM 1279 C GLY A 81 -9.431 -7.512 -4.001 1.00 0.00 C ATOM 1280 O GLY A 81 -9.479 -6.627 -4.868 1.00 0.00 O ATOM 0 H GLY A 81 -10.166 -10.454 -2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.174 -9.524 -4.674 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.715 -8.813 -5.108 1.00 0.00 H new ATOM 1284 N VAL A 82 -8.930 -7.303 -2.773 1.00 0.00 N ATOM 1285 CA VAL A 82 -8.153 -6.096 -2.449 1.00 0.00 C ATOM 1286 C VAL A 82 -7.010 -6.424 -1.471 1.00 0.00 C ATOM 1287 O VAL A 82 -7.145 -7.263 -0.578 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.054 -4.915 -1.888 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -9.603 -5.196 -0.470 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -8.304 -3.565 -1.940 1.00 0.00 C ATOM 0 H VAL A 82 -9.048 -7.949 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.722 -5.743 -3.386 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.920 -4.851 -2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.211 -4.353 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.214 -6.098 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.772 -5.335 0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.947 -2.776 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.399 -3.628 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.036 -3.337 -2.972 1.00 0.00 H new ATOM 1300 N ILE A 83 -5.871 -5.777 -1.701 1.00 0.00 N ATOM 1301 CA ILE A 83 -4.686 -5.836 -0.833 1.00 0.00 C ATOM 1302 C ILE A 83 -4.775 -4.641 0.140 1.00 0.00 C ATOM 1303 O ILE A 83 -5.336 -3.615 -0.220 1.00 0.00 O ATOM 1304 CB ILE A 83 -3.343 -5.772 -1.694 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -3.156 -7.028 -2.625 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.094 -5.621 -0.798 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -4.153 -7.183 -3.761 1.00 0.00 C ATOM 0 H ILE A 83 -5.737 -5.180 -2.517 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.661 -6.777 -0.283 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.446 -4.889 -2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.154 -6.990 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.204 -7.923 -2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.201 -5.581 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.172 -4.702 -0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.026 -6.473 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.920 -8.083 -4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.160 -7.262 -3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.095 -6.315 -4.417 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.288 -4.777 1.382 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.219 -3.638 2.330 1.00 0.00 C ATOM 1321 C ASN A 84 -2.785 -3.499 2.861 1.00 0.00 C ATOM 1322 O ASN A 84 -2.136 -4.503 3.194 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.228 -3.781 3.508 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.716 -3.657 3.111 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.156 -4.146 2.071 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.498 -2.971 3.927 1.00 0.00 N ATOM 0 H ASN A 84 -3.936 -5.657 1.759 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.500 -2.736 1.787 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.074 -4.750 3.983 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.002 -3.020 4.255 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.483 -2.840 3.699 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.116 -2.573 4.785 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.309 -2.244 2.952 1.00 0.00 N ATOM 1334 CA GLY A 85 -0.935 -1.956 3.341 1.00 0.00 C ATOM 1335 C GLY A 85 -0.725 -0.506 3.764 1.00 0.00 C ATOM 1336 O GLY A 85 -1.688 0.261 3.845 1.00 0.00 O ATOM 0 H GLY A 85 -2.868 -1.414 2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.651 -2.613 4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.272 -2.185 2.507 1.00 0.00 H new ATOM 1340 N VAL A 86 0.538 -0.130 4.041 1.00 0.00 N ATOM 1341 CA VAL A 86 0.902 1.229 4.507 1.00 0.00 C ATOM 1342 C VAL A 86 2.018 1.828 3.628 1.00 0.00 C ATOM 1343 O VAL A 86 2.917 1.109 3.189 1.00 0.00 O ATOM 1344 CB VAL A 86 1.342 1.238 6.024 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.192 0.758 6.938 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.619 0.391 6.252 1.00 0.00 C ATOM 0 H VAL A 86 1.337 -0.757 3.949 1.00 0.00 H new ATOM 0 HA VAL A 86 0.008 1.846 4.417 1.00 0.00 H new ATOM 0 HB VAL A 86 1.579 2.268 6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.522 0.774 7.977 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.667 1.419 6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.091 -0.258 6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.892 0.421 7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.429 -0.640 5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.436 0.796 5.655 1.00 0.00 H new ATOM 1356 N LEU A 87 1.944 3.147 3.372 1.00 0.00 N ATOM 1357 CA LEU A 87 2.918 3.861 2.520 1.00 0.00 C ATOM 1358 C LEU A 87 4.303 3.919 3.205 1.00 0.00 C ATOM 1359 O LEU A 87 4.409 4.269 4.383 1.00 0.00 O ATOM 1360 CB LEU A 87 2.397 5.286 2.200 1.00 0.00 C ATOM 1361 CG LEU A 87 3.209 6.107 1.145 1.00 0.00 C ATOM 1362 CD1 LEU A 87 3.285 5.368 -0.211 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.611 7.520 0.960 1.00 0.00 C ATOM 0 H LEU A 87 1.210 3.748 3.748 1.00 0.00 H new ATOM 0 HA LEU A 87 3.032 3.316 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.369 5.202 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.371 5.856 3.129 1.00 0.00 H new ATOM 0 HG LEU A 87 4.225 6.212 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.856 5.967 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.775 4.404 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.278 5.211 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.195 8.068 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.579 7.437 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.636 8.053 1.910 1.00 0.00 H new ATOM 1375 N ILE A 88 5.352 3.554 2.457 1.00 0.00 N ATOM 1376 CA ILE A 88 6.738 3.451 2.964 1.00 0.00 C ATOM 1377 C ILE A 88 7.711 4.140 1.986 1.00 0.00 C ATOM 1378 O ILE A 88 7.326 4.520 0.870 1.00 0.00 O ATOM 1379 CB ILE A 88 7.174 1.943 3.149 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.132 1.209 1.774 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.301 1.218 4.209 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.435 -0.265 1.806 1.00 0.00 C ATOM 0 H ILE A 88 5.267 3.317 1.468 1.00 0.00 H new ATOM 0 HA ILE A 88 6.772 3.945 3.935 1.00 0.00 H new ATOM 0 HB ILE A 88 8.198 1.924 3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.142 1.347 1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.844 1.692 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.632 0.184 4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.400 1.724 5.170 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.257 1.237 3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.377 -0.670 0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.438 -0.422 2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.710 -0.772 2.443 1.00 0.00 H new ATOM 1394 N ARG A 89 8.977 4.301 2.420 1.00 0.00 N ATOM 1395 CA ARG A 89 10.048 4.866 1.583 1.00 0.00 C ATOM 1396 C ARG A 89 11.069 3.753 1.256 1.00 0.00 C ATOM 1397 O ARG A 89 11.935 3.448 2.086 1.00 0.00 O ATOM 1398 CB ARG A 89 10.768 6.061 2.300 1.00 0.00 C ATOM 1399 CG ARG A 89 9.859 7.083 3.033 1.00 0.00 C ATOM 1400 CD ARG A 89 8.699 7.635 2.171 1.00 0.00 C ATOM 1401 NE ARG A 89 7.980 8.737 2.848 1.00 0.00 N ATOM 1402 CZ ARG A 89 7.285 8.656 4.004 1.00 0.00 C ATOM 1403 NH1 ARG A 89 7.073 7.490 4.624 1.00 0.00 N ATOM 1404 NH2 ARG A 89 6.776 9.769 4.518 1.00 0.00 N ATOM 0 H ARG A 89 9.283 4.043 3.358 1.00 0.00 H new ATOM 0 HA ARG A 89 9.606 5.252 0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.471 5.650 3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.355 6.600 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.442 6.609 3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.472 7.917 3.374 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.092 7.990 1.219 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.999 6.830 1.946 1.00 0.00 H new ATOM 0 HE ARG A 89 8.012 9.651 2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.441 6.626 4.225 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.544 7.465 5.496 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.913 10.660 4.041 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.248 9.733 5.390 1.00 0.00 H new ATOM 1418 N GLU A 90 10.914 3.100 0.089 1.00 0.00 N ATOM 1419 CA GLU A 90 11.924 2.143 -0.437 1.00 0.00 C ATOM 1420 C GLU A 90 12.659 2.802 -1.586 1.00 0.00 C ATOM 1421 O GLU A 90 13.872 3.016 -1.528 1.00 0.00 O ATOM 1422 CB GLU A 90 11.259 0.831 -0.925 1.00 0.00 C ATOM 1423 CG GLU A 90 10.440 0.101 0.139 1.00 0.00 C ATOM 1424 CD GLU A 90 11.235 -0.234 1.406 1.00 0.00 C ATOM 1425 OE1 GLU A 90 12.163 -1.049 1.318 1.00 0.00 O ATOM 1426 OE2 GLU A 90 10.923 0.292 2.499 1.00 0.00 O ATOM 0 H GLU A 90 10.099 3.214 -0.514 1.00 0.00 H new ATOM 0 HA GLU A 90 12.617 1.885 0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.610 1.060 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.036 0.160 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.583 0.717 0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.047 -0.822 -0.287 1.00 0.00 H new ATOM 1433 N LEU A 91 11.890 3.125 -2.630 1.00 0.00 N ATOM 1434 CA LEU A 91 12.372 3.865 -3.791 1.00 0.00 C ATOM 1435 C LEU A 91 11.957 5.326 -3.630 1.00 0.00 C ATOM 1436 O LEU A 91 10.776 5.600 -3.374 1.00 0.00 O ATOM 1437 CB LEU A 91 11.778 3.257 -5.091 1.00 0.00 C ATOM 1438 CG LEU A 91 12.047 1.732 -5.305 1.00 0.00 C ATOM 1439 CD1 LEU A 91 11.399 1.213 -6.607 1.00 0.00 C ATOM 1440 CD2 LEU A 91 13.560 1.428 -5.279 1.00 0.00 C ATOM 0 H LEU A 91 10.903 2.875 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 91 13.458 3.801 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.700 3.421 -5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.182 3.803 -5.944 1.00 0.00 H new ATOM 0 HG LEU A 91 11.580 1.200 -4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 91 11.609 0.149 -6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.321 1.367 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.809 1.755 -7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.719 0.360 -5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.057 1.985 -6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.974 1.724 -4.315 1.00 0.00 H new ATOM 1452 N GLU A 92 12.924 6.254 -3.727 1.00 0.00 N ATOM 1453 CA GLU A 92 12.626 7.692 -3.673 1.00 0.00 C ATOM 1454 C GLU A 92 11.973 8.136 -5.001 1.00 0.00 C ATOM 1455 O GLU A 92 12.634 8.253 -6.045 1.00 0.00 O ATOM 1456 CB GLU A 92 13.896 8.524 -3.328 1.00 0.00 C ATOM 1457 CG GLU A 92 15.123 8.291 -4.243 1.00 0.00 C ATOM 1458 CD GLU A 92 16.242 9.324 -4.011 1.00 0.00 C ATOM 1459 OE1 GLU A 92 16.127 10.449 -4.540 1.00 0.00 O ATOM 1460 OE2 GLU A 92 17.228 9.028 -3.302 1.00 0.00 O ATOM 0 H GLU A 92 13.913 6.034 -3.843 1.00 0.00 H new ATOM 0 HA GLU A 92 11.915 7.879 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.635 9.582 -3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.185 8.302 -2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.517 7.290 -4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 92 14.807 8.332 -5.285 1.00 0.00 H new ATOM 1467 N HIS A 93 10.638 8.281 -4.972 1.00 0.00 N ATOM 1468 CA HIS A 93 9.858 8.731 -6.139 1.00 0.00 C ATOM 1469 C HIS A 93 10.222 10.174 -6.488 1.00 0.00 C ATOM 1470 O HIS A 93 10.456 10.990 -5.595 1.00 0.00 O ATOM 1471 CB HIS A 93 8.337 8.589 -5.881 1.00 0.00 C ATOM 1472 CG HIS A 93 7.837 7.165 -5.951 1.00 0.00 C ATOM 1473 ND1 HIS A 93 6.833 6.762 -6.797 1.00 0.00 N ATOM 1474 CD2 HIS A 93 8.232 6.043 -5.294 1.00 0.00 C ATOM 1475 CE1 HIS A 93 6.640 5.472 -6.661 1.00 0.00 C ATOM 1476 NE2 HIS A 93 7.474 5.009 -5.757 1.00 0.00 N ATOM 0 H HIS A 93 10.071 8.091 -4.145 1.00 0.00 H new ATOM 0 HA HIS A 93 10.107 8.095 -6.988 1.00 0.00 H new ATOM 0 HB2 HIS A 93 8.105 8.998 -4.898 1.00 0.00 H new ATOM 0 HB3 HIS A 93 7.796 9.190 -6.612 1.00 0.00 H new ATOM 0 HD2 HIS A 93 9.005 5.982 -4.542 1.00 0.00 H new ATOM 0 HE1 HIS A 93 5.914 4.885 -7.204 1.00 0.00 H new ATOM 0 HE2 HIS A 93 7.543 4.038 -5.453 1.00 0.00 H new ATOM 1485 N HIS A 94 10.285 10.476 -7.791 1.00 0.00 N ATOM 1486 CA HIS A 94 10.736 11.780 -8.291 1.00 0.00 C ATOM 1487 C HIS A 94 9.587 12.503 -9.021 1.00 0.00 C ATOM 1488 O HIS A 94 9.297 12.204 -10.184 1.00 0.00 O ATOM 1489 CB HIS A 94 11.966 11.600 -9.227 1.00 0.00 C ATOM 1490 CG HIS A 94 13.153 10.943 -8.561 1.00 0.00 C ATOM 1491 ND1 HIS A 94 13.755 9.799 -9.042 1.00 0.00 N ATOM 1492 CD2 HIS A 94 13.859 11.284 -7.450 1.00 0.00 C ATOM 1493 CE1 HIS A 94 14.756 9.467 -8.257 1.00 0.00 C ATOM 1494 NE2 HIS A 94 14.840 10.349 -7.287 1.00 0.00 N ATOM 0 H HIS A 94 10.024 9.822 -8.529 1.00 0.00 H new ATOM 0 HA HIS A 94 11.038 12.397 -7.445 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.669 11.003 -10.089 1.00 0.00 H new ATOM 0 HB3 HIS A 94 12.269 12.577 -9.605 1.00 0.00 H new ATOM 0 HD2 HIS A 94 13.677 12.137 -6.814 1.00 0.00 H new ATOM 0 HE1 HIS A 94 15.402 8.611 -8.388 1.00 0.00 H new ATOM 0 HE2 HIS A 94 15.527 10.337 -6.534 1.00 0.00 H new ATOM 1503 N HIS A 95 8.901 13.418 -8.299 1.00 0.00 N ATOM 1504 CA HIS A 95 7.927 14.364 -8.896 1.00 0.00 C ATOM 1505 C HIS A 95 8.256 15.807 -8.452 1.00 0.00 C ATOM 1506 O HIS A 95 7.661 16.764 -8.954 1.00 0.00 O ATOM 1507 CB HIS A 95 6.448 13.982 -8.562 1.00 0.00 C ATOM 1508 CG HIS A 95 5.933 14.386 -7.192 1.00 0.00 C ATOM 1509 ND1 HIS A 95 5.438 15.647 -6.914 1.00 0.00 N ATOM 1510 CD2 HIS A 95 5.796 13.691 -6.040 1.00 0.00 C ATOM 1511 CE1 HIS A 95 5.031 15.698 -5.664 1.00 0.00 C ATOM 1512 NE2 HIS A 95 5.235 14.528 -5.109 1.00 0.00 N ATOM 0 H HIS A 95 9.005 13.522 -7.290 1.00 0.00 H new ATOM 0 HA HIS A 95 8.019 14.302 -9.980 1.00 0.00 H new ATOM 0 HB2 HIS A 95 5.802 14.433 -9.315 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.345 12.901 -8.659 1.00 0.00 H new ATOM 0 HD2 HIS A 95 6.078 12.661 -5.881 1.00 0.00 H new ATOM 0 HE1 HIS A 95 4.601 16.560 -5.176 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.013 14.281 -4.145 1.00 0.00 H new ATOM 1521 N HIS A 96 9.216 15.948 -7.506 1.00 0.00 N ATOM 1522 CA HIS A 96 9.742 17.267 -7.070 1.00 0.00 C ATOM 1523 C HIS A 96 10.552 17.913 -8.216 1.00 0.00 C ATOM 1524 O HIS A 96 10.677 19.139 -8.289 1.00 0.00 O ATOM 1525 CB HIS A 96 10.643 17.125 -5.806 1.00 0.00 C ATOM 1526 CG HIS A 96 9.994 16.441 -4.638 1.00 0.00 C ATOM 1527 ND1 HIS A 96 10.673 15.584 -3.808 1.00 0.00 N ATOM 1528 CD2 HIS A 96 8.731 16.509 -4.148 1.00 0.00 C ATOM 1529 CE1 HIS A 96 9.866 15.143 -2.867 1.00 0.00 C ATOM 1530 NE2 HIS A 96 8.681 15.694 -3.052 1.00 0.00 N ATOM 0 H HIS A 96 9.646 15.157 -7.026 1.00 0.00 H new ATOM 0 HA HIS A 96 8.894 17.903 -6.816 1.00 0.00 H new ATOM 0 HB2 HIS A 96 11.541 16.571 -6.079 1.00 0.00 H new ATOM 0 HB3 HIS A 96 10.964 18.119 -5.493 1.00 0.00 H new ATOM 0 HD2 HIS A 96 7.918 17.096 -4.548 1.00 0.00 H new ATOM 0 HE1 HIS A 96 10.128 14.451 -2.080 1.00 0.00 H new ATOM 0 HE2 HIS A 96 7.859 15.537 -2.470 1.00 0.00 H new ATOM 1539 N HIS A 97 11.090 17.040 -9.092 1.00 0.00 N ATOM 1540 CA HIS A 97 11.889 17.413 -10.266 1.00 0.00 C ATOM 1541 C HIS A 97 11.049 18.243 -11.253 1.00 0.00 C ATOM 1542 O HIS A 97 11.496 19.293 -11.727 1.00 0.00 O ATOM 1543 CB HIS A 97 12.429 16.117 -10.933 1.00 0.00 C ATOM 1544 CG HIS A 97 13.329 16.310 -12.135 1.00 0.00 C ATOM 1545 ND1 HIS A 97 14.708 16.268 -12.052 1.00 0.00 N ATOM 1546 CD2 HIS A 97 13.050 16.494 -13.451 1.00 0.00 C ATOM 1547 CE1 HIS A 97 15.224 16.408 -13.255 1.00 0.00 C ATOM 1548 NE2 HIS A 97 14.245 16.548 -14.118 1.00 0.00 N ATOM 0 H HIS A 97 10.975 16.031 -8.995 1.00 0.00 H new ATOM 0 HA HIS A 97 12.730 18.034 -9.959 1.00 0.00 H new ATOM 0 HB2 HIS A 97 12.977 15.548 -10.182 1.00 0.00 H new ATOM 0 HB3 HIS A 97 11.578 15.507 -11.236 1.00 0.00 H new ATOM 0 HD2 HIS A 97 12.067 16.582 -13.891 1.00 0.00 H new ATOM 0 HE1 HIS A 97 16.278 16.408 -13.492 1.00 0.00 H new ATOM 0 HE2 HIS A 97 14.356 16.676 -15.124 1.00 0.00 H new ATOM 1557 N HIS A 98 9.825 17.764 -11.541 1.00 0.00 N ATOM 1558 CA HIS A 98 8.911 18.396 -12.511 1.00 0.00 C ATOM 1559 C HIS A 98 7.445 18.021 -12.174 1.00 0.00 C ATOM 1560 O HIS A 98 7.111 16.816 -12.185 1.00 0.00 O ATOM 1561 CB HIS A 98 9.284 17.964 -13.956 1.00 0.00 C ATOM 1562 CG HIS A 98 8.484 18.652 -15.031 1.00 0.00 C ATOM 1563 ND1 HIS A 98 7.725 17.973 -15.955 1.00 0.00 N ATOM 1564 CD2 HIS A 98 8.386 19.964 -15.367 1.00 0.00 C ATOM 1565 CE1 HIS A 98 7.185 18.832 -16.794 1.00 0.00 C ATOM 1566 NE2 HIS A 98 7.572 20.043 -16.464 1.00 0.00 N ATOM 1567 OXT HIS A 98 6.644 18.925 -11.862 1.00 0.00 O ATOM 0 H HIS A 98 9.441 16.925 -11.106 1.00 0.00 H new ATOM 0 HA HIS A 98 9.009 19.480 -12.448 1.00 0.00 H new ATOM 0 HB2 HIS A 98 10.342 18.165 -14.122 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.145 16.887 -14.049 1.00 0.00 H new ATOM 0 HD2 HIS A 98 8.862 20.792 -14.862 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.532 18.582 -17.617 1.00 0.00 H new ATOM 0 HE2 HIS A 98 7.309 20.902 -16.947 1.00 0.00 H new TER 1576 HIS A 98