USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=16 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 75 SER OG : rot 27:sc= 1 USER MOD Set 1.2: A 79 GLN : amide:sc= 0.864 K(o=1.9,f=0.43) USER MOD Set 2.1: A 47 THR OG1 : rot -107:sc= 1.03 USER MOD Set 2.2: A 95 HIS : no HE2:sc= 0.997 K(o=2,f=-3.1) USER MOD Set 3.1: A 32 THR OG1 : rot -54:sc= -0.118 USER MOD Set 3.2: A 34 LYS NZ :NH3+ -132:sc= 0.451 (180deg=-0.0826) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 56:sc= 0.0173 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.153 F(o=-1.6!,f=-0.15) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 26 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.3!) USER MOD Single : A 42 ASN : amide:sc= -3.02! C(o=-3!,f=-6.6!) USER MOD Single : A 46 ASN :FLIP amide:sc= -1.05 F(o=-2.4!,f=-1.1) USER MOD Single : A 49 ASN : amide:sc= -0.545 X(o=-0.54,f=-0.32) USER MOD Single : A 51 HIS : no HD1:sc= -0.0265 X(o=-0.027,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.579 K(o=-0.58,f=-2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -45:sc= 1.28 USER MOD Single : A 67 ASN : amide:sc= -0.277 K(o=-0.28,f=-8.7!) USER MOD Single : A 70 ASN : amide:sc= 0.694 K(o=0.69,f=-5.3!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 84 ASN :FLIP amide:sc=-0.00741 F(o=-1.5!,f=-0.0074) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 94 HIS : no HD1:sc=-0.00136 X(o=-0.0014,f=0) USER MOD Single : A 96 HIS : no HE2:sc= -0.0185 K(o=-0.018,f=-1.4) USER MOD Single : A 97 HIS : no HD1:sc= -0.0568 X(o=-0.057,f=-0.41) USER MOD Single : A 98 HIS : no HD1:sc= -0.0864 X(o=-0.086,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.090 -26.705 -21.545 1.00 0.00 N ATOM 2 CA GLY A 1 -2.812 -25.766 -20.440 1.00 0.00 C ATOM 3 C GLY A 1 -4.022 -24.905 -20.114 1.00 0.00 C ATOM 4 O GLY A 1 -4.044 -23.707 -20.434 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.242 -27.275 -21.738 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.875 -27.333 -21.278 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.349 -26.170 -22.398 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.514 -26.326 -19.553 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.972 -25.126 -20.709 1.00 0.00 H new ATOM 10 N ASP A 2 -5.050 -25.533 -19.500 1.00 0.00 N ATOM 11 CA ASP A 2 -6.275 -24.849 -19.057 1.00 0.00 C ATOM 12 C ASP A 2 -5.942 -23.831 -17.958 1.00 0.00 C ATOM 13 O ASP A 2 -5.210 -24.140 -17.013 1.00 0.00 O ATOM 14 CB ASP A 2 -7.327 -25.874 -18.539 1.00 0.00 C ATOM 15 CG ASP A 2 -8.637 -25.209 -18.032 1.00 0.00 C ATOM 16 OD1 ASP A 2 -8.676 -24.735 -16.877 1.00 0.00 O ATOM 17 OD2 ASP A 2 -9.629 -25.151 -18.793 1.00 0.00 O ATOM 0 H ASP A 2 -5.048 -26.533 -19.299 1.00 0.00 H new ATOM 0 HA ASP A 2 -6.702 -24.324 -19.911 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.569 -26.572 -19.340 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.888 -26.458 -17.730 1.00 0.00 H new ATOM 22 N ARG A 3 -6.474 -22.615 -18.111 1.00 0.00 N ATOM 23 CA ARG A 3 -6.373 -21.538 -17.113 1.00 0.00 C ATOM 24 C ARG A 3 -7.766 -20.956 -16.892 1.00 0.00 C ATOM 25 O ARG A 3 -8.577 -20.945 -17.823 1.00 0.00 O ATOM 26 CB ARG A 3 -5.368 -20.445 -17.583 1.00 0.00 C ATOM 27 CG ARG A 3 -3.925 -20.969 -17.732 1.00 0.00 C ATOM 28 CD ARG A 3 -2.901 -19.897 -18.108 1.00 0.00 C ATOM 29 NE ARG A 3 -1.546 -20.466 -18.099 1.00 0.00 N ATOM 30 CZ ARG A 3 -0.410 -19.792 -18.314 1.00 0.00 C ATOM 31 NH1 ARG A 3 -0.416 -18.515 -18.644 1.00 0.00 N ATOM 32 NH2 ARG A 3 0.742 -20.422 -18.198 1.00 0.00 N ATOM 0 H ARG A 3 -6.996 -22.344 -18.944 1.00 0.00 H new ATOM 0 HA ARG A 3 -5.994 -21.934 -16.171 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.701 -20.041 -18.539 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.377 -19.622 -16.869 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.621 -21.432 -16.793 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.911 -21.750 -18.492 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.129 -19.496 -19.096 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.959 -19.066 -17.406 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.464 -21.465 -17.912 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -1.301 -18.017 -18.741 1.00 0.00 H new ATOM 0 HH12 ARG A 3 0.464 -18.025 -18.802 1.00 0.00 H new ATOM 0 HH21 ARG A 3 0.760 -21.411 -17.947 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.616 -19.921 -18.359 1.00 0.00 H new ATOM 46 N ARG A 4 -8.048 -20.508 -15.655 1.00 0.00 N ATOM 47 CA ARG A 4 -9.332 -19.876 -15.307 1.00 0.00 C ATOM 48 C ARG A 4 -9.403 -18.462 -15.922 1.00 0.00 C ATOM 49 O ARG A 4 -9.083 -17.464 -15.263 1.00 0.00 O ATOM 50 CB ARG A 4 -9.525 -19.828 -13.763 1.00 0.00 C ATOM 51 CG ARG A 4 -9.617 -21.200 -13.051 1.00 0.00 C ATOM 52 CD ARG A 4 -10.888 -22.017 -13.395 1.00 0.00 C ATOM 53 NE ARG A 4 -10.744 -22.901 -14.573 1.00 0.00 N ATOM 54 CZ ARG A 4 -11.548 -23.961 -14.835 1.00 0.00 C ATOM 55 NH1 ARG A 4 -12.561 -24.272 -14.027 1.00 0.00 N ATOM 56 NH2 ARG A 4 -11.337 -24.708 -15.900 1.00 0.00 N ATOM 0 H ARG A 4 -7.396 -20.574 -14.873 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.144 -20.475 -15.720 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.695 -19.270 -13.329 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -10.434 -19.266 -13.547 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.739 -21.791 -13.312 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.584 -21.039 -11.973 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.160 -22.624 -12.531 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.713 -21.326 -13.572 1.00 0.00 H new ATOM 0 HE ARG A 4 -9.991 -22.700 -15.231 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.742 -23.709 -13.196 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.156 -25.073 -14.240 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -10.566 -24.490 -16.531 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -11.944 -25.504 -16.093 1.00 0.00 H new ATOM 70 N VAL A 5 -9.744 -18.412 -17.222 1.00 0.00 N ATOM 71 CA VAL A 5 -9.978 -17.163 -17.948 1.00 0.00 C ATOM 72 C VAL A 5 -11.317 -16.591 -17.463 1.00 0.00 C ATOM 73 O VAL A 5 -12.347 -17.263 -17.585 1.00 0.00 O ATOM 74 CB VAL A 5 -10.003 -17.393 -19.507 1.00 0.00 C ATOM 75 CG1 VAL A 5 -10.211 -16.068 -20.281 1.00 0.00 C ATOM 76 CG2 VAL A 5 -8.723 -18.127 -19.982 1.00 0.00 C ATOM 0 H VAL A 5 -9.864 -19.246 -17.797 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.165 -16.464 -17.750 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.858 -18.032 -19.728 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.222 -16.270 -21.352 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.160 -15.620 -19.986 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.398 -15.380 -20.050 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.767 -18.273 -21.061 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.847 -17.529 -19.732 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.655 -19.096 -19.488 1.00 0.00 H new ATOM 86 N ARG A 6 -11.278 -15.373 -16.900 1.00 0.00 N ATOM 87 CA ARG A 6 -12.412 -14.758 -16.191 1.00 0.00 C ATOM 88 C ARG A 6 -13.632 -14.626 -17.117 1.00 0.00 C ATOM 89 O ARG A 6 -13.562 -13.943 -18.146 1.00 0.00 O ATOM 90 CB ARG A 6 -12.004 -13.364 -15.640 1.00 0.00 C ATOM 91 CG ARG A 6 -12.952 -12.785 -14.561 1.00 0.00 C ATOM 92 CD ARG A 6 -12.940 -13.612 -13.259 1.00 0.00 C ATOM 93 NE ARG A 6 -11.578 -13.775 -12.722 1.00 0.00 N ATOM 94 CZ ARG A 6 -11.149 -14.808 -11.970 1.00 0.00 C ATOM 95 NH1 ARG A 6 -11.971 -15.782 -11.591 1.00 0.00 N ATOM 96 NH2 ARG A 6 -9.880 -14.856 -11.604 1.00 0.00 N ATOM 0 H ARG A 6 -10.448 -14.780 -16.924 1.00 0.00 H new ATOM 0 HA ARG A 6 -12.686 -15.404 -15.357 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.000 -13.435 -15.220 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -11.953 -12.662 -16.472 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -12.660 -11.759 -14.338 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -13.967 -12.749 -14.956 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.568 -13.124 -12.514 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -13.375 -14.593 -13.449 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.901 -13.043 -12.938 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -12.952 -15.759 -11.869 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.621 -16.553 -11.022 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.238 -14.117 -11.891 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.542 -15.632 -11.035 1.00 0.00 H new ATOM 110 N LEU A 7 -14.726 -15.324 -16.766 1.00 0.00 N ATOM 111 CA LEU A 7 -16.007 -15.204 -17.473 1.00 0.00 C ATOM 112 C LEU A 7 -16.658 -13.867 -17.081 1.00 0.00 C ATOM 113 O LEU A 7 -17.488 -13.808 -16.165 1.00 0.00 O ATOM 114 CB LEU A 7 -16.971 -16.401 -17.170 1.00 0.00 C ATOM 115 CG LEU A 7 -16.585 -17.803 -17.751 1.00 0.00 C ATOM 116 CD1 LEU A 7 -16.391 -17.748 -19.283 1.00 0.00 C ATOM 117 CD2 LEU A 7 -15.352 -18.406 -17.039 1.00 0.00 C ATOM 0 H LEU A 7 -14.745 -15.983 -15.988 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.815 -15.231 -18.546 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -17.058 -16.497 -16.088 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -17.960 -16.141 -17.547 1.00 0.00 H new ATOM 0 HG LEU A 7 -17.422 -18.472 -17.553 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -16.124 -18.738 -19.652 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -17.318 -17.423 -19.756 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.594 -17.044 -19.524 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -15.120 -19.378 -17.474 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -14.498 -17.740 -17.163 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -15.567 -18.526 -15.977 1.00 0.00 H new ATOM 129 N ILE A 8 -16.217 -12.776 -17.734 1.00 0.00 N ATOM 130 CA ILE A 8 -16.790 -11.442 -17.531 1.00 0.00 C ATOM 131 C ILE A 8 -18.092 -11.369 -18.341 1.00 0.00 C ATOM 132 O ILE A 8 -18.121 -10.883 -19.479 1.00 0.00 O ATOM 133 CB ILE A 8 -15.781 -10.296 -17.935 1.00 0.00 C ATOM 134 CG1 ILE A 8 -14.399 -10.497 -17.223 1.00 0.00 C ATOM 135 CG2 ILE A 8 -16.371 -8.893 -17.614 1.00 0.00 C ATOM 136 CD1 ILE A 8 -13.328 -9.488 -17.609 1.00 0.00 C ATOM 0 H ILE A 8 -15.457 -12.799 -18.413 1.00 0.00 H new ATOM 0 HA ILE A 8 -16.998 -11.285 -16.473 1.00 0.00 H new ATOM 0 HB ILE A 8 -15.621 -10.353 -19.012 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.552 -10.449 -16.145 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.033 -11.498 -17.449 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -15.656 -8.123 -17.902 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -17.299 -8.753 -18.169 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -16.573 -8.819 -16.545 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.409 -9.708 -17.066 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.140 -9.549 -18.681 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.667 -8.483 -17.357 1.00 0.00 H new ATOM 148 N ARG A 9 -19.148 -11.968 -17.771 1.00 0.00 N ATOM 149 CA ARG A 9 -20.466 -12.023 -18.398 1.00 0.00 C ATOM 150 C ARG A 9 -21.103 -10.637 -18.317 1.00 0.00 C ATOM 151 O ARG A 9 -21.361 -10.132 -17.217 1.00 0.00 O ATOM 152 CB ARG A 9 -21.347 -13.098 -17.718 1.00 0.00 C ATOM 153 CG ARG A 9 -22.731 -13.294 -18.373 1.00 0.00 C ATOM 154 CD ARG A 9 -23.527 -14.450 -17.752 1.00 0.00 C ATOM 155 NE ARG A 9 -22.829 -15.743 -17.918 1.00 0.00 N ATOM 156 CZ ARG A 9 -23.352 -16.947 -17.643 1.00 0.00 C ATOM 157 NH1 ARG A 9 -24.607 -17.066 -17.229 1.00 0.00 N ATOM 158 NH2 ARG A 9 -22.622 -18.037 -17.825 1.00 0.00 N ATOM 0 H ARG A 9 -19.106 -12.427 -16.861 1.00 0.00 H new ATOM 0 HA ARG A 9 -20.371 -12.307 -19.446 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -20.814 -14.049 -17.731 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -21.489 -12.826 -16.672 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -23.305 -12.372 -18.279 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -22.600 -13.481 -19.439 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -23.685 -14.255 -16.691 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -24.512 -14.505 -18.216 1.00 0.00 H new ATOM 0 HE ARG A 9 -21.872 -15.717 -18.270 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -25.188 -16.235 -17.116 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -24.991 -17.988 -17.024 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -21.666 -17.959 -18.173 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -23.015 -18.955 -17.617 1.00 0.00 H new ATOM 172 N THR A 10 -21.316 -10.024 -19.484 1.00 0.00 N ATOM 173 CA THR A 10 -21.790 -8.642 -19.603 1.00 0.00 C ATOM 174 C THR A 10 -23.330 -8.573 -19.478 1.00 0.00 C ATOM 175 O THR A 10 -24.047 -8.200 -20.416 1.00 0.00 O ATOM 176 CB THR A 10 -21.275 -8.029 -20.950 1.00 0.00 C ATOM 177 OG1 THR A 10 -21.607 -8.911 -22.046 1.00 0.00 O ATOM 178 CG2 THR A 10 -19.750 -7.799 -20.921 1.00 0.00 C ATOM 0 H THR A 10 -21.162 -10.479 -20.384 1.00 0.00 H new ATOM 0 HA THR A 10 -21.386 -8.047 -18.784 1.00 0.00 H new ATOM 0 HB THR A 10 -21.762 -7.064 -21.086 1.00 0.00 H new ATOM 0 HG1 THR A 10 -22.573 -9.075 -22.053 1.00 0.00 H new ATOM 0 HG21 THR A 10 -19.428 -7.373 -21.871 1.00 0.00 H new ATOM 0 HG22 THR A 10 -19.501 -7.112 -20.112 1.00 0.00 H new ATOM 0 HG23 THR A 10 -19.242 -8.749 -20.759 1.00 0.00 H new ATOM 186 N ARG A 11 -23.820 -8.976 -18.288 1.00 0.00 N ATOM 187 CA ARG A 11 -25.233 -8.908 -17.885 1.00 0.00 C ATOM 188 C ARG A 11 -25.325 -8.020 -16.639 1.00 0.00 C ATOM 189 O ARG A 11 -24.824 -8.393 -15.568 1.00 0.00 O ATOM 190 CB ARG A 11 -25.806 -10.328 -17.588 1.00 0.00 C ATOM 191 CG ARG A 11 -25.945 -11.270 -18.808 1.00 0.00 C ATOM 192 CD ARG A 11 -26.968 -10.781 -19.858 1.00 0.00 C ATOM 193 NE ARG A 11 -26.463 -9.675 -20.698 1.00 0.00 N ATOM 194 CZ ARG A 11 -27.188 -8.628 -21.136 1.00 0.00 C ATOM 195 NH1 ARG A 11 -28.445 -8.453 -20.750 1.00 0.00 N ATOM 196 NH2 ARG A 11 -26.622 -7.744 -21.943 1.00 0.00 N ATOM 0 H ARG A 11 -23.222 -9.369 -17.561 1.00 0.00 H new ATOM 0 HA ARG A 11 -25.827 -8.488 -18.697 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -25.164 -10.811 -16.852 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -26.788 -10.214 -17.128 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -24.971 -11.378 -19.285 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -26.240 -12.260 -18.460 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -27.247 -11.617 -20.500 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -27.874 -10.455 -19.347 1.00 0.00 H new ATOM 0 HE ARG A 11 -25.480 -9.707 -20.970 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -28.879 -9.118 -20.110 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -28.977 -7.653 -21.093 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -25.649 -7.861 -22.225 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -27.159 -6.946 -22.282 1.00 0.00 H new ATOM 210 N GLY A 12 -25.955 -6.846 -16.799 1.00 0.00 N ATOM 211 CA GLY A 12 -26.050 -5.843 -15.734 1.00 0.00 C ATOM 212 C GLY A 12 -27.144 -6.167 -14.716 1.00 0.00 C ATOM 213 O GLY A 12 -28.232 -5.581 -14.754 1.00 0.00 O ATOM 0 H GLY A 12 -26.411 -6.568 -17.668 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -25.091 -5.772 -15.221 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -26.248 -4.867 -16.176 1.00 0.00 H new ATOM 217 N GLY A 13 -26.850 -7.119 -13.815 1.00 0.00 N ATOM 218 CA GLY A 13 -27.805 -7.554 -12.781 1.00 0.00 C ATOM 219 C GLY A 13 -27.189 -7.631 -11.396 1.00 0.00 C ATOM 220 O GLY A 13 -27.737 -8.307 -10.511 1.00 0.00 O ATOM 0 H GLY A 13 -25.954 -7.605 -13.782 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -28.648 -6.863 -12.759 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -28.202 -8.533 -13.050 1.00 0.00 H new ATOM 224 N ASN A 14 -26.051 -6.940 -11.207 1.00 0.00 N ATOM 225 CA ASN A 14 -25.323 -6.894 -9.927 1.00 0.00 C ATOM 226 C ASN A 14 -24.318 -5.725 -9.966 1.00 0.00 C ATOM 227 O ASN A 14 -23.229 -5.859 -10.539 1.00 0.00 O ATOM 228 CB ASN A 14 -24.613 -8.251 -9.637 1.00 0.00 C ATOM 229 CG ASN A 14 -23.896 -8.288 -8.282 1.00 0.00 C ATOM 230 OD1 ASN A 14 -22.614 -7.976 -8.275 1.00 0.00 O flip ATOM 231 ND2 ASN A 14 -24.495 -8.608 -7.249 1.00 0.00 N flip ATOM 0 H ASN A 14 -25.607 -6.393 -11.945 1.00 0.00 H new ATOM 0 HA ASN A 14 -26.028 -6.729 -9.112 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -25.351 -9.053 -9.671 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -23.890 -8.450 -10.428 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -25.487 -8.844 -7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -23.998 -8.636 -6.359 1.00 0.00 H new ATOM 238 N THR A 15 -24.724 -4.573 -9.403 1.00 0.00 N ATOM 239 CA THR A 15 -23.890 -3.355 -9.350 1.00 0.00 C ATOM 240 C THR A 15 -22.792 -3.490 -8.276 1.00 0.00 C ATOM 241 O THR A 15 -21.648 -3.055 -8.474 1.00 0.00 O ATOM 242 CB THR A 15 -24.781 -2.103 -9.059 1.00 0.00 C ATOM 243 OG1 THR A 15 -25.821 -2.012 -10.047 1.00 0.00 O ATOM 244 CG2 THR A 15 -23.974 -0.786 -9.046 1.00 0.00 C ATOM 0 H THR A 15 -25.641 -4.458 -8.971 1.00 0.00 H new ATOM 0 HA THR A 15 -23.407 -3.227 -10.319 1.00 0.00 H new ATOM 0 HB THR A 15 -25.205 -2.236 -8.064 1.00 0.00 H new ATOM 0 HG1 THR A 15 -26.380 -1.228 -9.863 1.00 0.00 H new ATOM 0 HG21 THR A 15 -24.644 0.049 -8.839 1.00 0.00 H new ATOM 0 HG22 THR A 15 -23.208 -0.837 -8.273 1.00 0.00 H new ATOM 0 HG23 THR A 15 -23.501 -0.640 -10.017 1.00 0.00 H new ATOM 252 N LYS A 16 -23.163 -4.121 -7.153 1.00 0.00 N ATOM 253 CA LYS A 16 -22.275 -4.317 -5.997 1.00 0.00 C ATOM 254 C LYS A 16 -21.255 -5.435 -6.295 1.00 0.00 C ATOM 255 O LYS A 16 -21.490 -6.614 -6.012 1.00 0.00 O ATOM 256 CB LYS A 16 -23.127 -4.634 -4.733 1.00 0.00 C ATOM 257 CG LYS A 16 -22.330 -4.747 -3.413 1.00 0.00 C ATOM 258 CD LYS A 16 -23.242 -5.052 -2.202 1.00 0.00 C ATOM 259 CE LYS A 16 -22.479 -5.064 -0.873 1.00 0.00 C ATOM 260 NZ LYS A 16 -23.366 -5.339 0.294 1.00 0.00 N ATOM 0 H LYS A 16 -24.095 -4.513 -7.020 1.00 0.00 H new ATOM 0 HA LYS A 16 -21.712 -3.403 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -23.881 -3.855 -4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -23.659 -5.571 -4.899 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -21.582 -5.534 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -21.792 -3.816 -3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -24.036 -4.306 -2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -23.722 -6.019 -2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.695 -5.820 -0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -21.987 -4.102 -0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.801 -5.336 1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -24.099 -4.604 0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -23.817 -6.269 0.176 1.00 0.00 H new ATOM 274 N VAL A 17 -20.146 -5.050 -6.942 1.00 0.00 N ATOM 275 CA VAL A 17 -19.057 -5.969 -7.326 1.00 0.00 C ATOM 276 C VAL A 17 -17.762 -5.521 -6.633 1.00 0.00 C ATOM 277 O VAL A 17 -17.508 -4.314 -6.543 1.00 0.00 O ATOM 278 CB VAL A 17 -18.829 -5.981 -8.896 1.00 0.00 C ATOM 279 CG1 VAL A 17 -17.816 -7.066 -9.320 1.00 0.00 C ATOM 280 CG2 VAL A 17 -20.158 -6.135 -9.671 1.00 0.00 C ATOM 0 H VAL A 17 -19.975 -4.083 -7.218 1.00 0.00 H new ATOM 0 HA VAL A 17 -19.334 -6.977 -7.017 1.00 0.00 H new ATOM 0 HB VAL A 17 -18.405 -5.011 -9.157 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.688 -7.041 -10.402 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -16.857 -6.877 -8.837 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -18.186 -8.046 -9.021 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -19.956 -6.138 -10.742 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -20.637 -7.073 -9.389 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -20.819 -5.303 -9.429 1.00 0.00 H new ATOM 290 N ARG A 18 -16.955 -6.484 -6.141 1.00 0.00 N ATOM 291 CA ARG A 18 -15.601 -6.197 -5.627 1.00 0.00 C ATOM 292 C ARG A 18 -14.710 -5.704 -6.790 1.00 0.00 C ATOM 293 O ARG A 18 -14.928 -6.104 -7.945 1.00 0.00 O ATOM 294 CB ARG A 18 -14.958 -7.434 -4.910 1.00 0.00 C ATOM 295 CG ARG A 18 -14.439 -8.589 -5.812 1.00 0.00 C ATOM 296 CD ARG A 18 -15.549 -9.365 -6.547 1.00 0.00 C ATOM 297 NE ARG A 18 -14.992 -10.431 -7.403 1.00 0.00 N ATOM 298 CZ ARG A 18 -15.000 -10.443 -8.744 1.00 0.00 C ATOM 299 NH1 ARG A 18 -15.538 -9.445 -9.428 1.00 0.00 N ATOM 300 NH2 ARG A 18 -14.455 -11.456 -9.399 1.00 0.00 N ATOM 0 H ARG A 18 -17.219 -7.468 -6.089 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.683 -5.416 -4.871 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.124 -7.078 -4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.697 -7.848 -4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.750 -8.177 -6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.869 -9.286 -5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.232 -9.802 -5.818 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.133 -8.676 -7.157 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.563 -11.228 -6.933 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.953 -8.654 -8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.537 -9.467 -10.448 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.029 -12.227 -8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.461 -11.466 -10.419 1.00 0.00 H new ATOM 314 N LEU A 19 -13.747 -4.828 -6.460 1.00 0.00 N ATOM 315 CA LEU A 19 -12.837 -4.166 -7.430 1.00 0.00 C ATOM 316 C LEU A 19 -12.129 -5.177 -8.377 1.00 0.00 C ATOM 317 O LEU A 19 -11.082 -5.753 -8.070 1.00 0.00 O ATOM 318 CB LEU A 19 -11.851 -3.205 -6.665 1.00 0.00 C ATOM 319 CG LEU A 19 -11.310 -3.682 -5.254 1.00 0.00 C ATOM 320 CD1 LEU A 19 -10.115 -4.657 -5.353 1.00 0.00 C ATOM 321 CD2 LEU A 19 -10.984 -2.473 -4.339 1.00 0.00 C ATOM 0 H LEU A 19 -13.570 -4.550 -5.495 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.432 -3.549 -8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.992 -3.022 -7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.354 -2.248 -6.526 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.120 -4.249 -4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.795 -4.943 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.416 -5.547 -5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.290 -4.170 -5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.615 -2.833 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.221 -1.854 -4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.886 -1.881 -4.183 1.00 0.00 H new ATOM 333 N ALA A 20 -12.780 -5.409 -9.530 1.00 0.00 N ATOM 334 CA ALA A 20 -12.337 -6.375 -10.556 1.00 0.00 C ATOM 335 C ALA A 20 -11.842 -5.661 -11.822 1.00 0.00 C ATOM 336 O ALA A 20 -11.226 -6.299 -12.689 1.00 0.00 O ATOM 337 CB ALA A 20 -13.489 -7.332 -10.883 1.00 0.00 C ATOM 0 H ALA A 20 -13.642 -4.925 -9.781 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.497 -6.945 -10.160 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -13.165 -8.046 -11.640 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.784 -7.868 -9.981 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.338 -6.763 -11.261 1.00 0.00 H new ATOM 343 N SER A 21 -12.151 -4.353 -11.930 1.00 0.00 N ATOM 344 CA SER A 21 -11.651 -3.479 -13.002 1.00 0.00 C ATOM 345 C SER A 21 -10.108 -3.471 -12.992 1.00 0.00 C ATOM 346 O SER A 21 -9.461 -3.613 -14.039 1.00 0.00 O ATOM 347 CB SER A 21 -12.226 -2.051 -12.833 1.00 0.00 C ATOM 348 OG SER A 21 -11.809 -1.190 -13.879 1.00 0.00 O ATOM 0 H SER A 21 -12.760 -3.873 -11.268 1.00 0.00 H new ATOM 0 HA SER A 21 -11.981 -3.860 -13.968 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.315 -2.097 -12.812 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.906 -1.641 -11.875 1.00 0.00 H new ATOM 0 HG SER A 21 -12.192 -0.298 -13.741 1.00 0.00 H new ATOM 354 N ASP A 22 -9.550 -3.317 -11.790 1.00 0.00 N ATOM 355 CA ASP A 22 -8.122 -3.529 -11.510 1.00 0.00 C ATOM 356 C ASP A 22 -7.982 -3.983 -10.048 1.00 0.00 C ATOM 357 O ASP A 22 -8.803 -3.582 -9.204 1.00 0.00 O ATOM 358 CB ASP A 22 -7.317 -2.223 -11.759 1.00 0.00 C ATOM 359 CG ASP A 22 -5.807 -2.386 -11.508 1.00 0.00 C ATOM 360 OD1 ASP A 22 -5.144 -3.106 -12.295 1.00 0.00 O ATOM 361 OD2 ASP A 22 -5.277 -1.809 -10.535 1.00 0.00 O ATOM 0 H ASP A 22 -10.084 -3.037 -10.967 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.721 -4.293 -12.176 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.475 -1.897 -12.787 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.704 -1.436 -11.112 1.00 0.00 H new ATOM 366 N THR A 23 -6.974 -4.835 -9.745 1.00 0.00 N ATOM 367 CA THR A 23 -6.678 -5.204 -8.356 1.00 0.00 C ATOM 368 C THR A 23 -6.111 -3.985 -7.617 1.00 0.00 C ATOM 369 O THR A 23 -4.995 -3.521 -7.902 1.00 0.00 O ATOM 370 CB THR A 23 -5.681 -6.400 -8.242 1.00 0.00 C ATOM 371 OG1 THR A 23 -6.205 -7.528 -8.961 1.00 0.00 O ATOM 372 CG2 THR A 23 -5.436 -6.801 -6.764 1.00 0.00 C ATOM 0 H THR A 23 -6.365 -5.270 -10.438 1.00 0.00 H new ATOM 0 HA THR A 23 -7.614 -5.529 -7.901 1.00 0.00 H new ATOM 0 HB THR A 23 -4.728 -6.087 -8.670 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.579 -8.279 -8.892 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.737 -7.636 -6.725 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.019 -5.953 -6.221 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.380 -7.096 -6.306 1.00 0.00 H new ATOM 380 N ARG A 24 -6.892 -3.475 -6.670 1.00 0.00 N ATOM 381 CA ARG A 24 -6.530 -2.301 -5.892 1.00 0.00 C ATOM 382 C ARG A 24 -5.932 -2.716 -4.544 1.00 0.00 C ATOM 383 O ARG A 24 -6.052 -3.873 -4.104 1.00 0.00 O ATOM 384 CB ARG A 24 -7.773 -1.409 -5.680 1.00 0.00 C ATOM 385 CG ARG A 24 -8.460 -0.897 -6.973 1.00 0.00 C ATOM 386 CD ARG A 24 -7.537 -0.015 -7.832 1.00 0.00 C ATOM 387 NE ARG A 24 -8.290 0.771 -8.828 1.00 0.00 N ATOM 388 CZ ARG A 24 -8.463 2.111 -8.805 1.00 0.00 C ATOM 389 NH1 ARG A 24 -7.926 2.851 -7.834 1.00 0.00 N ATOM 390 NH2 ARG A 24 -9.147 2.707 -9.768 1.00 0.00 N ATOM 0 H ARG A 24 -7.799 -3.869 -6.421 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.777 -1.733 -6.439 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.505 -1.970 -5.099 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.481 -0.547 -5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.792 -1.750 -7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.351 -0.329 -6.705 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.977 0.661 -7.185 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.808 -0.644 -8.343 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.717 0.259 -9.600 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.378 2.406 -7.098 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.064 3.862 -7.828 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.544 2.155 -10.528 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.277 3.718 -9.750 1.00 0.00 H new ATOM 404 N ILE A 25 -5.295 -1.739 -3.910 1.00 0.00 N ATOM 405 CA ILE A 25 -4.749 -1.857 -2.561 1.00 0.00 C ATOM 406 C ILE A 25 -5.098 -0.577 -1.799 1.00 0.00 C ATOM 407 O ILE A 25 -4.955 0.533 -2.333 1.00 0.00 O ATOM 408 CB ILE A 25 -3.189 -2.106 -2.575 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.605 -2.182 -1.119 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.445 -1.036 -3.417 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.132 -2.556 -1.029 1.00 0.00 C ATOM 0 H ILE A 25 -5.140 -0.822 -4.328 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.188 -2.723 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.024 -3.073 -3.051 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.748 -1.215 -0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.183 -2.910 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.375 -1.241 -3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.806 -1.066 -4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.631 -0.048 -2.996 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.826 -2.581 0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.978 -3.538 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.536 -1.817 -1.564 1.00 0.00 H new ATOM 423 N ASN A 26 -5.578 -0.728 -0.562 1.00 0.00 N ATOM 424 CA ASN A 26 -5.935 0.409 0.283 1.00 0.00 C ATOM 425 C ASN A 26 -4.669 0.809 1.050 1.00 0.00 C ATOM 426 O ASN A 26 -4.275 0.160 2.026 1.00 0.00 O ATOM 427 CB ASN A 26 -7.109 0.048 1.229 1.00 0.00 C ATOM 428 CG ASN A 26 -8.405 -0.317 0.484 1.00 0.00 C ATOM 429 OD1 ASN A 26 -8.647 0.129 -0.638 1.00 0.00 O ATOM 430 ND2 ASN A 26 -9.260 -1.115 1.107 1.00 0.00 N ATOM 0 H ASN A 26 -5.728 -1.636 -0.122 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.286 1.251 -0.314 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.813 -0.790 1.860 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.305 0.891 1.891 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -10.139 -1.371 0.657 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.039 -1.473 2.036 1.00 0.00 H new ATOM 437 N VAL A 27 -4.021 1.867 0.549 1.00 0.00 N ATOM 438 CA VAL A 27 -2.725 2.345 1.030 1.00 0.00 C ATOM 439 C VAL A 27 -2.947 3.317 2.188 1.00 0.00 C ATOM 440 O VAL A 27 -3.551 4.382 2.011 1.00 0.00 O ATOM 441 CB VAL A 27 -1.925 3.046 -0.133 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.571 3.607 0.354 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.735 2.073 -1.319 1.00 0.00 C ATOM 0 H VAL A 27 -4.394 2.425 -0.219 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.136 1.496 1.378 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.514 3.897 -0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.053 4.081 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.743 4.342 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.040 2.794 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.181 2.572 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.180 1.196 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.710 1.764 -1.696 1.00 0.00 H new ATOM 453 N VAL A 28 -2.465 2.928 3.370 1.00 0.00 N ATOM 454 CA VAL A 28 -2.611 3.705 4.596 1.00 0.00 C ATOM 455 C VAL A 28 -1.356 4.552 4.791 1.00 0.00 C ATOM 456 O VAL A 28 -0.314 4.040 5.207 1.00 0.00 O ATOM 457 CB VAL A 28 -2.837 2.768 5.846 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.011 3.583 7.153 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.031 1.814 5.615 1.00 0.00 C ATOM 0 H VAL A 28 -1.957 2.053 3.501 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.487 4.348 4.507 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.940 2.160 5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.164 2.901 7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.117 4.180 7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.875 4.241 7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.165 1.180 6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.936 2.398 5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.835 1.191 4.742 1.00 0.00 H new ATOM 469 N ASP A 29 -1.449 5.833 4.419 1.00 0.00 N ATOM 470 CA ASP A 29 -0.419 6.828 4.725 1.00 0.00 C ATOM 471 C ASP A 29 -0.267 6.918 6.260 1.00 0.00 C ATOM 472 O ASP A 29 -1.187 7.386 6.924 1.00 0.00 O ATOM 473 CB ASP A 29 -0.821 8.206 4.145 1.00 0.00 C ATOM 474 CG ASP A 29 0.202 9.325 4.433 1.00 0.00 C ATOM 475 OD1 ASP A 29 0.154 9.925 5.519 1.00 0.00 O ATOM 476 OD2 ASP A 29 1.047 9.630 3.570 1.00 0.00 O ATOM 0 H ASP A 29 -2.241 6.208 3.897 1.00 0.00 H new ATOM 0 HA ASP A 29 0.529 6.533 4.276 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.949 8.113 3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.788 8.495 4.557 1.00 0.00 H new ATOM 481 N PRO A 30 0.871 6.462 6.845 1.00 0.00 N ATOM 482 CA PRO A 30 1.045 6.411 8.309 1.00 0.00 C ATOM 483 C PRO A 30 1.484 7.765 8.914 1.00 0.00 C ATOM 484 O PRO A 30 1.578 7.884 10.142 1.00 0.00 O ATOM 485 CB PRO A 30 2.139 5.329 8.469 1.00 0.00 C ATOM 486 CG PRO A 30 2.999 5.504 7.255 1.00 0.00 C ATOM 487 CD PRO A 30 2.078 5.966 6.138 1.00 0.00 C ATOM 0 HA PRO A 30 0.118 6.187 8.837 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.710 5.471 9.387 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.708 4.329 8.513 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.785 6.237 7.438 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.491 4.568 6.990 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.540 6.751 5.540 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.834 5.149 5.459 1.00 0.00 H new ATOM 495 N GLU A 31 1.745 8.777 8.054 1.00 0.00 N ATOM 496 CA GLU A 31 2.231 10.093 8.506 1.00 0.00 C ATOM 497 C GLU A 31 1.049 10.875 9.112 1.00 0.00 C ATOM 498 O GLU A 31 1.057 11.248 10.290 1.00 0.00 O ATOM 499 CB GLU A 31 2.829 10.904 7.299 1.00 0.00 C ATOM 500 CG GLU A 31 3.671 10.094 6.282 1.00 0.00 C ATOM 501 CD GLU A 31 4.908 9.427 6.895 1.00 0.00 C ATOM 502 OE1 GLU A 31 5.811 10.151 7.370 1.00 0.00 O ATOM 503 OE2 GLU A 31 5.003 8.183 6.883 1.00 0.00 O ATOM 0 H GLU A 31 1.626 8.703 7.044 1.00 0.00 H new ATOM 0 HA GLU A 31 3.014 9.951 9.251 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.006 11.377 6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.451 11.705 7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.041 9.326 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.988 10.757 5.477 1.00 0.00 H new ATOM 510 N THR A 32 0.019 11.069 8.273 1.00 0.00 N ATOM 511 CA THR A 32 -1.231 11.751 8.637 1.00 0.00 C ATOM 512 C THR A 32 -2.332 10.761 9.048 1.00 0.00 C ATOM 513 O THR A 32 -3.139 11.071 9.931 1.00 0.00 O ATOM 514 CB THR A 32 -1.718 12.629 7.437 1.00 0.00 C ATOM 515 OG1 THR A 32 -1.872 11.825 6.256 1.00 0.00 O ATOM 516 CG2 THR A 32 -0.742 13.783 7.139 1.00 0.00 C ATOM 0 H THR A 32 0.033 10.750 7.304 1.00 0.00 H new ATOM 0 HA THR A 32 -1.026 12.384 9.501 1.00 0.00 H new ATOM 0 HB THR A 32 -2.680 13.056 7.722 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.037 11.345 6.076 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.116 14.369 6.299 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.656 14.422 8.017 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.238 13.376 6.889 1.00 0.00 H new ATOM 524 N GLY A 33 -2.338 9.561 8.436 1.00 0.00 N ATOM 525 CA GLY A 33 -3.361 8.535 8.725 1.00 0.00 C ATOM 526 C GLY A 33 -4.380 8.364 7.596 1.00 0.00 C ATOM 527 O GLY A 33 -5.435 7.757 7.808 1.00 0.00 O ATOM 0 H GLY A 33 -1.648 9.278 7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.867 7.581 8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.886 8.803 9.642 1.00 0.00 H new ATOM 531 N LYS A 34 -4.067 8.914 6.398 1.00 0.00 N ATOM 532 CA LYS A 34 -4.919 8.751 5.191 1.00 0.00 C ATOM 533 C LYS A 34 -5.012 7.273 4.757 1.00 0.00 C ATOM 534 O LYS A 34 -4.076 6.505 4.959 1.00 0.00 O ATOM 535 CB LYS A 34 -4.377 9.577 3.993 1.00 0.00 C ATOM 536 CG LYS A 34 -4.339 11.100 4.211 1.00 0.00 C ATOM 537 CD LYS A 34 -3.827 11.858 2.956 1.00 0.00 C ATOM 538 CE LYS A 34 -3.735 13.375 3.174 1.00 0.00 C ATOM 539 NZ LYS A 34 -2.738 13.720 4.213 1.00 0.00 N ATOM 0 H LYS A 34 -3.230 9.475 6.240 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.909 9.114 5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.368 9.234 3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.993 9.366 3.119 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.338 11.454 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.694 11.328 5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.844 11.475 2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.494 11.656 2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.467 13.862 2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.712 13.761 3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.156 14.396 4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.454 12.858 4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.903 14.149 3.764 1.00 0.00 H new ATOM 553 N VAL A 35 -6.164 6.896 4.175 1.00 0.00 N ATOM 554 CA VAL A 35 -6.338 5.616 3.464 1.00 0.00 C ATOM 555 C VAL A 35 -6.893 5.933 2.068 1.00 0.00 C ATOM 556 O VAL A 35 -7.974 6.521 1.949 1.00 0.00 O ATOM 557 CB VAL A 35 -7.315 4.624 4.211 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.390 3.260 3.480 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.910 4.428 5.693 1.00 0.00 C ATOM 0 H VAL A 35 -7.005 7.473 4.184 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.371 5.115 3.413 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.307 5.076 4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.069 2.597 4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.756 3.411 2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.397 2.811 3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.606 3.739 6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.901 4.018 5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.938 5.388 6.208 1.00 0.00 H new ATOM 569 N GLU A 36 -6.155 5.542 1.025 1.00 0.00 N ATOM 570 CA GLU A 36 -6.504 5.829 -0.379 1.00 0.00 C ATOM 571 C GLU A 36 -6.420 4.552 -1.211 1.00 0.00 C ATOM 572 O GLU A 36 -5.495 3.755 -1.043 1.00 0.00 O ATOM 573 CB GLU A 36 -5.565 6.926 -0.971 1.00 0.00 C ATOM 574 CG GLU A 36 -6.093 8.368 -0.838 1.00 0.00 C ATOM 575 CD GLU A 36 -7.370 8.610 -1.669 1.00 0.00 C ATOM 576 OE1 GLU A 36 -7.265 8.708 -2.913 1.00 0.00 O ATOM 577 OE2 GLU A 36 -8.478 8.686 -1.099 1.00 0.00 O ATOM 0 H GLU A 36 -5.289 5.012 1.127 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.527 6.205 -0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.596 6.861 -0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.398 6.711 -2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.301 8.580 0.211 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.319 9.066 -1.157 1.00 0.00 H new ATOM 584 N ILE A 37 -7.388 4.392 -2.125 1.00 0.00 N ATOM 585 CA ILE A 37 -7.447 3.249 -3.048 1.00 0.00 C ATOM 586 C ILE A 37 -6.456 3.492 -4.204 1.00 0.00 C ATOM 587 O ILE A 37 -6.574 4.486 -4.928 1.00 0.00 O ATOM 588 CB ILE A 37 -8.909 3.028 -3.599 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.891 2.694 -2.428 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.943 1.924 -4.688 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.320 2.401 -2.853 1.00 0.00 C ATOM 0 H ILE A 37 -8.155 5.054 -2.245 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.169 2.342 -2.511 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.236 3.956 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.505 1.831 -1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.900 3.532 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.965 1.797 -5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.300 2.213 -5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.588 0.984 -4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.924 2.181 -1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.732 3.269 -3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.331 1.542 -3.524 1.00 0.00 H new ATOM 603 N ALA A 38 -5.484 2.578 -4.361 1.00 0.00 N ATOM 604 CA ALA A 38 -4.372 2.716 -5.315 1.00 0.00 C ATOM 605 C ALA A 38 -4.365 1.569 -6.324 1.00 0.00 C ATOM 606 O ALA A 38 -4.857 0.476 -6.035 1.00 0.00 O ATOM 607 CB ALA A 38 -3.040 2.749 -4.555 1.00 0.00 C ATOM 0 H ALA A 38 -5.448 1.713 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.505 3.649 -5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.219 2.851 -5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.034 3.595 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.920 1.824 -3.992 1.00 0.00 H new ATOM 613 N GLU A 39 -3.767 1.836 -7.493 1.00 0.00 N ATOM 614 CA GLU A 39 -3.554 0.836 -8.550 1.00 0.00 C ATOM 615 C GLU A 39 -2.105 0.334 -8.452 1.00 0.00 C ATOM 616 O GLU A 39 -1.169 1.144 -8.404 1.00 0.00 O ATOM 617 CB GLU A 39 -3.842 1.450 -9.950 1.00 0.00 C ATOM 618 CG GLU A 39 -5.268 2.012 -10.094 1.00 0.00 C ATOM 619 CD GLU A 39 -5.623 2.482 -11.511 1.00 0.00 C ATOM 620 OE1 GLU A 39 -6.088 1.658 -12.326 1.00 0.00 O ATOM 621 OE2 GLU A 39 -5.450 3.681 -11.820 1.00 0.00 O ATOM 0 H GLU A 39 -3.414 2.762 -7.735 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.240 -0.001 -8.419 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.125 2.248 -10.142 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.682 0.687 -10.712 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.980 1.245 -9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.387 2.849 -9.406 1.00 0.00 H new ATOM 628 N ILE A 40 -1.932 -0.991 -8.383 1.00 0.00 N ATOM 629 CA ILE A 40 -0.614 -1.620 -8.182 1.00 0.00 C ATOM 630 C ILE A 40 0.198 -1.619 -9.502 1.00 0.00 C ATOM 631 O ILE A 40 -0.150 -2.332 -10.448 1.00 0.00 O ATOM 632 CB ILE A 40 -0.810 -3.095 -7.652 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.698 -3.104 -6.363 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.544 -3.802 -7.391 1.00 0.00 C ATOM 635 CD1 ILE A 40 -2.155 -4.479 -5.909 1.00 0.00 C ATOM 0 H ILE A 40 -2.698 -1.660 -8.464 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.054 -1.046 -7.443 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.322 -3.657 -8.433 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.139 -2.637 -5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.578 -2.486 -6.542 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.362 -4.813 -7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.116 -3.847 -8.318 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.108 -3.244 -6.643 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.763 -4.382 -5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.745 -4.945 -6.698 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.285 -5.099 -5.693 1.00 0.00 H new ATOM 647 N ARG A 41 1.285 -0.818 -9.547 1.00 0.00 N ATOM 648 CA ARG A 41 2.231 -0.777 -10.689 1.00 0.00 C ATOM 649 C ARG A 41 2.994 -2.104 -10.812 1.00 0.00 C ATOM 650 O ARG A 41 3.140 -2.661 -11.905 1.00 0.00 O ATOM 651 CB ARG A 41 3.268 0.382 -10.515 1.00 0.00 C ATOM 652 CG ARG A 41 2.742 1.806 -10.790 1.00 0.00 C ATOM 653 CD ARG A 41 2.259 1.976 -12.237 1.00 0.00 C ATOM 654 NE ARG A 41 3.273 1.533 -13.212 1.00 0.00 N ATOM 655 CZ ARG A 41 3.044 0.733 -14.272 1.00 0.00 C ATOM 656 NH1 ARG A 41 1.809 0.354 -14.588 1.00 0.00 N ATOM 657 NH2 ARG A 41 4.057 0.350 -15.025 1.00 0.00 N ATOM 0 H ARG A 41 1.534 -0.179 -8.792 1.00 0.00 H new ATOM 0 HA ARG A 41 1.643 -0.607 -11.591 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.653 0.349 -9.496 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.110 0.192 -11.180 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.922 2.027 -10.107 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.531 2.529 -10.585 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.342 1.405 -12.383 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.015 3.023 -12.417 1.00 0.00 H new ATOM 0 HE ARG A 41 4.229 1.860 -13.072 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.019 0.669 -14.025 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.652 -0.252 -15.393 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.003 0.659 -14.803 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.894 -0.255 -15.830 1.00 0.00 H new ATOM 671 N ASN A 42 3.448 -2.596 -9.660 1.00 0.00 N ATOM 672 CA ASN A 42 4.378 -3.718 -9.563 1.00 0.00 C ATOM 673 C ASN A 42 3.976 -4.623 -8.389 1.00 0.00 C ATOM 674 O ASN A 42 3.862 -4.147 -7.254 1.00 0.00 O ATOM 675 CB ASN A 42 5.812 -3.172 -9.352 1.00 0.00 C ATOM 676 CG ASN A 42 6.858 -4.263 -9.202 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.778 -5.310 -9.846 1.00 0.00 O ATOM 678 ND2 ASN A 42 7.830 -4.044 -8.330 1.00 0.00 N ATOM 0 H ASN A 42 3.174 -2.219 -8.753 1.00 0.00 H new ATOM 0 HA ASN A 42 4.348 -4.303 -10.482 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.079 -2.537 -10.197 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.825 -2.542 -8.463 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.545 -4.755 -8.174 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.864 -3.164 -7.815 1.00 0.00 H new ATOM 685 N VAL A 43 3.793 -5.918 -8.681 1.00 0.00 N ATOM 686 CA VAL A 43 3.365 -6.929 -7.692 1.00 0.00 C ATOM 687 C VAL A 43 4.568 -7.547 -6.952 1.00 0.00 C ATOM 688 O VAL A 43 4.454 -7.885 -5.768 1.00 0.00 O ATOM 689 CB VAL A 43 2.508 -8.066 -8.371 1.00 0.00 C ATOM 690 CG1 VAL A 43 1.140 -7.521 -8.849 1.00 0.00 C ATOM 691 CG2 VAL A 43 3.275 -8.736 -9.541 1.00 0.00 C ATOM 0 H VAL A 43 3.938 -6.301 -9.615 1.00 0.00 H new ATOM 0 HA VAL A 43 2.743 -6.413 -6.961 1.00 0.00 H new ATOM 0 HB VAL A 43 2.324 -8.831 -7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.570 -8.326 -9.313 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.586 -7.129 -7.996 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.300 -6.724 -9.575 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.654 -9.514 -9.985 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.513 -7.987 -10.296 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.198 -9.178 -9.165 1.00 0.00 H new ATOM 701 N VAL A 44 5.712 -7.708 -7.659 1.00 0.00 N ATOM 702 CA VAL A 44 6.920 -8.346 -7.093 1.00 0.00 C ATOM 703 C VAL A 44 7.672 -7.350 -6.179 1.00 0.00 C ATOM 704 O VAL A 44 7.844 -6.184 -6.545 1.00 0.00 O ATOM 705 CB VAL A 44 7.863 -8.944 -8.217 1.00 0.00 C ATOM 706 CG1 VAL A 44 8.385 -7.878 -9.203 1.00 0.00 C ATOM 707 CG2 VAL A 44 9.030 -9.738 -7.594 1.00 0.00 C ATOM 0 H VAL A 44 5.821 -7.403 -8.626 1.00 0.00 H new ATOM 0 HA VAL A 44 6.599 -9.192 -6.485 1.00 0.00 H new ATOM 0 HB VAL A 44 7.247 -9.627 -8.802 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.024 -8.353 -9.947 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.542 -7.399 -9.701 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.958 -7.128 -8.658 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.662 -10.138 -8.387 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.620 -9.079 -6.957 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.634 -10.559 -6.997 1.00 0.00 H new ATOM 717 N GLU A 45 8.093 -7.823 -4.987 1.00 0.00 N ATOM 718 CA GLU A 45 8.682 -6.972 -3.939 1.00 0.00 C ATOM 719 C GLU A 45 9.957 -6.247 -4.436 1.00 0.00 C ATOM 720 O GLU A 45 10.954 -6.888 -4.757 1.00 0.00 O ATOM 721 CB GLU A 45 8.971 -7.797 -2.646 1.00 0.00 C ATOM 722 CG GLU A 45 9.978 -8.956 -2.811 1.00 0.00 C ATOM 723 CD GLU A 45 10.226 -9.746 -1.521 1.00 0.00 C ATOM 724 OE1 GLU A 45 10.902 -9.227 -0.610 1.00 0.00 O ATOM 725 OE2 GLU A 45 9.742 -10.889 -1.406 1.00 0.00 O ATOM 0 H GLU A 45 8.033 -8.807 -4.727 1.00 0.00 H new ATOM 0 HA GLU A 45 7.949 -6.203 -3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.346 -7.119 -1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.030 -8.206 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.611 -9.637 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.926 -8.554 -3.168 1.00 0.00 H new ATOM 732 N ASN A 46 9.855 -4.900 -4.568 1.00 0.00 N ATOM 733 CA ASN A 46 10.988 -3.987 -4.883 1.00 0.00 C ATOM 734 C ASN A 46 11.597 -4.224 -6.295 1.00 0.00 C ATOM 735 O ASN A 46 12.598 -3.585 -6.626 1.00 0.00 O ATOM 736 CB ASN A 46 12.124 -4.115 -3.817 1.00 0.00 C ATOM 737 CG ASN A 46 11.674 -3.815 -2.387 1.00 0.00 C ATOM 738 OD1 ASN A 46 11.818 -2.575 -1.947 1.00 0.00 O flip ATOM 739 ND2 ASN A 46 11.211 -4.709 -1.674 1.00 0.00 N flip ATOM 0 H ASN A 46 8.969 -4.408 -4.457 1.00 0.00 H new ATOM 0 HA ASN A 46 10.565 -2.983 -4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.530 -5.126 -3.854 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.934 -3.436 -4.082 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.112 -5.655 -2.042 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.927 -4.502 -0.717 1.00 0.00 H new ATOM 746 N THR A 47 10.967 -5.115 -7.115 1.00 0.00 N ATOM 747 CA THR A 47 11.591 -5.763 -8.315 1.00 0.00 C ATOM 748 C THR A 47 12.945 -6.433 -7.958 1.00 0.00 C ATOM 749 O THR A 47 13.836 -6.571 -8.806 1.00 0.00 O ATOM 750 CB THR A 47 11.742 -4.818 -9.586 1.00 0.00 C ATOM 751 OG1 THR A 47 12.456 -3.629 -9.270 1.00 0.00 O ATOM 752 CG2 THR A 47 10.391 -4.444 -10.218 1.00 0.00 C ATOM 0 H THR A 47 10.002 -5.408 -6.962 1.00 0.00 H new ATOM 0 HA THR A 47 10.878 -6.532 -8.614 1.00 0.00 H new ATOM 0 HB THR A 47 12.306 -5.398 -10.316 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.836 -2.870 -9.251 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.559 -3.799 -11.080 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.876 -5.350 -10.538 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.779 -3.918 -9.485 1.00 0.00 H new ATOM 760 N ALA A 48 13.068 -6.862 -6.690 1.00 0.00 N ATOM 761 CA ALA A 48 14.243 -7.572 -6.168 1.00 0.00 C ATOM 762 C ALA A 48 14.279 -9.012 -6.701 1.00 0.00 C ATOM 763 O ALA A 48 15.312 -9.472 -7.195 1.00 0.00 O ATOM 764 CB ALA A 48 14.221 -7.563 -4.629 1.00 0.00 C ATOM 0 H ALA A 48 12.340 -6.722 -5.989 1.00 0.00 H new ATOM 0 HA ALA A 48 15.144 -7.061 -6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.096 -8.091 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.235 -6.534 -4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.316 -8.058 -4.275 1.00 0.00 H new ATOM 770 N ASN A 49 13.130 -9.706 -6.615 1.00 0.00 N ATOM 771 CA ASN A 49 12.999 -11.095 -7.088 1.00 0.00 C ATOM 772 C ASN A 49 12.912 -11.110 -8.636 1.00 0.00 C ATOM 773 O ASN A 49 11.949 -10.579 -9.202 1.00 0.00 O ATOM 774 CB ASN A 49 11.748 -11.782 -6.470 1.00 0.00 C ATOM 775 CG ASN A 49 11.694 -11.755 -4.937 1.00 0.00 C ATOM 776 OD1 ASN A 49 12.719 -11.719 -4.259 1.00 0.00 O ATOM 777 ND2 ASN A 49 10.494 -11.790 -4.380 1.00 0.00 N ATOM 0 H ASN A 49 12.272 -9.323 -6.218 1.00 0.00 H new ATOM 0 HA ASN A 49 13.878 -11.655 -6.769 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.854 -11.296 -6.860 1.00 0.00 H new ATOM 0 HB3 ASN A 49 11.718 -12.819 -6.803 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.403 -11.787 -3.364 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.660 -11.819 -4.967 1.00 0.00 H new ATOM 784 N PRO A 50 13.925 -11.701 -9.348 1.00 0.00 N ATOM 785 CA PRO A 50 13.997 -11.684 -10.827 1.00 0.00 C ATOM 786 C PRO A 50 13.287 -12.886 -11.483 1.00 0.00 C ATOM 787 O PRO A 50 13.626 -13.285 -12.599 1.00 0.00 O ATOM 788 CB PRO A 50 15.527 -11.711 -11.053 1.00 0.00 C ATOM 789 CG PRO A 50 16.053 -12.596 -9.954 1.00 0.00 C ATOM 790 CD PRO A 50 15.101 -12.426 -8.773 1.00 0.00 C ATOM 0 HA PRO A 50 13.490 -10.831 -11.278 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.776 -12.109 -12.037 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.955 -10.710 -10.996 1.00 0.00 H new ATOM 0 HG2 PRO A 50 16.090 -13.636 -10.277 1.00 0.00 H new ATOM 0 HG3 PRO A 50 17.069 -12.312 -9.679 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.809 -13.390 -8.355 1.00 0.00 H new ATOM 0 HD3 PRO A 50 15.564 -11.857 -7.967 1.00 0.00 H new ATOM 798 N HIS A 51 12.280 -13.442 -10.793 1.00 0.00 N ATOM 799 CA HIS A 51 11.508 -14.604 -11.280 1.00 0.00 C ATOM 800 C HIS A 51 10.347 -14.132 -12.175 1.00 0.00 C ATOM 801 O HIS A 51 9.777 -13.069 -11.936 1.00 0.00 O ATOM 802 CB HIS A 51 10.982 -15.443 -10.097 1.00 0.00 C ATOM 803 CG HIS A 51 12.065 -16.162 -9.340 1.00 0.00 C ATOM 804 ND1 HIS A 51 12.276 -17.520 -9.438 1.00 0.00 N ATOM 805 CD2 HIS A 51 13.002 -15.704 -8.475 1.00 0.00 C ATOM 806 CE1 HIS A 51 13.282 -17.863 -8.662 1.00 0.00 C ATOM 807 NE2 HIS A 51 13.739 -16.781 -8.070 1.00 0.00 N ATOM 0 H HIS A 51 11.975 -13.102 -9.881 1.00 0.00 H new ATOM 0 HA HIS A 51 12.168 -15.237 -11.874 1.00 0.00 H new ATOM 0 HB2 HIS A 51 10.443 -14.790 -9.411 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.265 -16.174 -10.471 1.00 0.00 H new ATOM 0 HD2 HIS A 51 13.140 -14.679 -8.164 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.667 -18.864 -8.533 1.00 0.00 H new ATOM 0 HE2 HIS A 51 14.519 -16.751 -7.413 1.00 0.00 H new ATOM 816 N PHE A 52 10.012 -14.938 -13.204 1.00 0.00 N ATOM 817 CA PHE A 52 8.976 -14.595 -14.212 1.00 0.00 C ATOM 818 C PHE A 52 7.540 -14.867 -13.703 1.00 0.00 C ATOM 819 O PHE A 52 6.574 -14.579 -14.417 1.00 0.00 O ATOM 820 CB PHE A 52 9.242 -15.335 -15.563 1.00 0.00 C ATOM 821 CG PHE A 52 9.354 -16.868 -15.474 1.00 0.00 C ATOM 822 CD1 PHE A 52 8.210 -17.672 -15.366 1.00 0.00 C ATOM 823 CD2 PHE A 52 10.596 -17.505 -15.506 1.00 0.00 C ATOM 824 CE1 PHE A 52 8.313 -19.047 -15.280 1.00 0.00 C ATOM 825 CE2 PHE A 52 10.694 -18.881 -15.424 1.00 0.00 C ATOM 826 CZ PHE A 52 9.553 -19.652 -15.317 1.00 0.00 C ATOM 0 H PHE A 52 10.449 -15.846 -13.363 1.00 0.00 H new ATOM 0 HA PHE A 52 9.050 -13.522 -14.387 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.438 -15.088 -16.256 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.165 -14.946 -15.993 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.234 -17.209 -15.350 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.495 -16.913 -15.596 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.422 -19.649 -15.184 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.665 -19.354 -15.444 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.631 -20.728 -15.262 1.00 0.00 H new ATOM 836 N VAL A 53 7.406 -15.415 -12.472 1.00 0.00 N ATOM 837 CA VAL A 53 6.093 -15.718 -11.833 1.00 0.00 C ATOM 838 C VAL A 53 5.440 -14.446 -11.226 1.00 0.00 C ATOM 839 O VAL A 53 4.926 -14.452 -10.100 1.00 0.00 O ATOM 840 CB VAL A 53 6.249 -16.855 -10.739 1.00 0.00 C ATOM 841 CG1 VAL A 53 6.586 -18.212 -11.399 1.00 0.00 C ATOM 842 CG2 VAL A 53 7.311 -16.481 -9.667 1.00 0.00 C ATOM 0 H VAL A 53 8.205 -15.662 -11.888 1.00 0.00 H new ATOM 0 HA VAL A 53 5.425 -16.083 -12.613 1.00 0.00 H new ATOM 0 HB VAL A 53 5.291 -16.951 -10.229 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.688 -18.976 -10.628 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.786 -18.492 -12.084 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.522 -18.126 -11.951 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.388 -17.285 -8.935 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.278 -16.334 -10.148 1.00 0.00 H new ATOM 0 HG23 VAL A 53 7.012 -15.561 -9.164 1.00 0.00 H new ATOM 852 N ARG A 54 5.379 -13.371 -12.035 1.00 0.00 N ATOM 853 CA ARG A 54 4.908 -12.041 -11.605 1.00 0.00 C ATOM 854 C ARG A 54 3.395 -11.888 -11.858 1.00 0.00 C ATOM 855 O ARG A 54 2.940 -10.905 -12.462 1.00 0.00 O ATOM 856 CB ARG A 54 5.725 -10.934 -12.332 1.00 0.00 C ATOM 857 CG ARG A 54 7.241 -11.087 -12.173 1.00 0.00 C ATOM 858 CD ARG A 54 8.047 -9.974 -12.853 1.00 0.00 C ATOM 859 NE ARG A 54 9.484 -10.294 -12.886 1.00 0.00 N ATOM 860 CZ ARG A 54 10.487 -9.438 -12.626 1.00 0.00 C ATOM 861 NH1 ARG A 54 10.243 -8.173 -12.285 1.00 0.00 N ATOM 862 NH2 ARG A 54 11.739 -9.859 -12.729 1.00 0.00 N ATOM 0 H ARG A 54 5.658 -13.402 -13.016 1.00 0.00 H new ATOM 0 HA ARG A 54 5.067 -11.935 -10.532 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.476 -10.948 -13.393 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.424 -9.960 -11.947 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.486 -11.104 -11.111 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.546 -12.049 -12.586 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.682 -9.828 -13.870 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.894 -9.035 -12.321 1.00 0.00 H new ATOM 0 HE ARG A 54 9.741 -11.251 -13.128 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.281 -7.839 -12.218 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.018 -7.538 -12.091 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.932 -10.822 -13.003 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.510 -9.220 -12.535 1.00 0.00 H new ATOM 876 N ARG A 55 2.622 -12.877 -11.373 1.00 0.00 N ATOM 877 CA ARG A 55 1.149 -12.791 -11.301 1.00 0.00 C ATOM 878 C ARG A 55 0.780 -11.917 -10.083 1.00 0.00 C ATOM 879 O ARG A 55 1.671 -11.481 -9.333 1.00 0.00 O ATOM 880 CB ARG A 55 0.496 -14.207 -11.173 1.00 0.00 C ATOM 881 CG ARG A 55 0.631 -15.140 -12.413 1.00 0.00 C ATOM 882 CD ARG A 55 2.046 -15.718 -12.606 1.00 0.00 C ATOM 883 NE ARG A 55 2.125 -16.664 -13.745 1.00 0.00 N ATOM 884 CZ ARG A 55 3.154 -16.754 -14.606 1.00 0.00 C ATOM 885 NH1 ARG A 55 4.157 -15.894 -14.547 1.00 0.00 N ATOM 886 NH2 ARG A 55 3.162 -17.688 -15.543 1.00 0.00 N ATOM 0 H ARG A 55 2.998 -13.757 -11.020 1.00 0.00 H new ATOM 0 HA ARG A 55 0.768 -12.347 -12.220 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.938 -14.712 -10.314 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.564 -14.077 -10.955 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.077 -15.963 -12.315 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.351 -14.583 -13.307 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.749 -14.901 -12.768 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.354 -16.228 -11.693 1.00 0.00 H new ATOM 0 HE ARG A 55 1.337 -17.296 -13.887 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.154 -15.155 -13.844 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.933 -15.970 -15.204 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.385 -18.345 -15.615 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.945 -17.751 -16.193 1.00 0.00 H new ATOM 900 N ASN A 56 -0.523 -11.680 -9.850 1.00 0.00 N ATOM 901 CA ASN A 56 -0.998 -10.931 -8.664 1.00 0.00 C ATOM 902 C ASN A 56 -1.062 -11.893 -7.443 1.00 0.00 C ATOM 903 O ASN A 56 -2.121 -12.139 -6.852 1.00 0.00 O ATOM 904 CB ASN A 56 -2.364 -10.232 -8.957 1.00 0.00 C ATOM 905 CG ASN A 56 -2.779 -9.245 -7.852 1.00 0.00 C ATOM 906 OD1 ASN A 56 -3.486 -9.595 -6.910 1.00 0.00 O ATOM 907 ND2 ASN A 56 -2.322 -8.007 -7.947 1.00 0.00 N ATOM 0 H ASN A 56 -1.271 -11.996 -10.467 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.296 -10.132 -8.424 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.298 -9.701 -9.906 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.138 -10.991 -9.069 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.555 -7.321 -7.229 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.737 -7.739 -8.738 1.00 0.00 H new ATOM 914 N ILE A 57 0.108 -12.482 -7.130 1.00 0.00 N ATOM 915 CA ILE A 57 0.333 -13.342 -5.970 1.00 0.00 C ATOM 916 C ILE A 57 1.170 -12.534 -4.969 1.00 0.00 C ATOM 917 O ILE A 57 2.408 -12.596 -4.953 1.00 0.00 O ATOM 918 CB ILE A 57 1.060 -14.684 -6.384 1.00 0.00 C ATOM 919 CG1 ILE A 57 0.218 -15.471 -7.450 1.00 0.00 C ATOM 920 CG2 ILE A 57 1.369 -15.579 -5.155 1.00 0.00 C ATOM 921 CD1 ILE A 57 -1.174 -15.912 -6.986 1.00 0.00 C ATOM 0 H ILE A 57 0.945 -12.364 -7.701 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.615 -13.639 -5.521 1.00 0.00 H new ATOM 0 HB ILE A 57 2.014 -14.409 -6.833 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.107 -14.845 -8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.780 -16.355 -7.753 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.868 -16.490 -5.485 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.018 -15.039 -4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.438 -15.838 -4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.674 -16.447 -7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.078 -16.568 -6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.761 -15.035 -6.713 1.00 0.00 H new ATOM 933 N ILE A 58 0.468 -11.689 -4.219 1.00 0.00 N ATOM 934 CA ILE A 58 1.067 -10.764 -3.255 1.00 0.00 C ATOM 935 C ILE A 58 0.899 -11.336 -1.840 1.00 0.00 C ATOM 936 O ILE A 58 -0.112 -11.986 -1.535 1.00 0.00 O ATOM 937 CB ILE A 58 0.403 -9.340 -3.389 1.00 0.00 C ATOM 938 CG1 ILE A 58 0.612 -8.776 -4.842 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.942 -8.350 -2.326 1.00 0.00 C ATOM 940 CD1 ILE A 58 -0.017 -7.423 -5.109 1.00 0.00 C ATOM 0 H ILE A 58 -0.549 -11.625 -4.263 1.00 0.00 H new ATOM 0 HA ILE A 58 2.132 -10.649 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.666 -9.452 -3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.682 -8.705 -5.036 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.206 -9.494 -5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.459 -7.381 -2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.727 -8.734 -1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.019 -8.237 -2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.185 -7.125 -6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.094 -7.486 -4.954 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.405 -6.685 -4.427 1.00 0.00 H new ATOM 952 N THR A 59 1.909 -11.111 -0.992 1.00 0.00 N ATOM 953 CA THR A 59 1.943 -11.603 0.392 1.00 0.00 C ATOM 954 C THR A 59 2.439 -10.487 1.327 1.00 0.00 C ATOM 955 O THR A 59 2.987 -9.472 0.867 1.00 0.00 O ATOM 956 CB THR A 59 2.850 -12.887 0.514 1.00 0.00 C ATOM 957 OG1 THR A 59 4.077 -12.694 -0.213 1.00 0.00 O ATOM 958 CG2 THR A 59 2.148 -14.152 -0.021 1.00 0.00 C ATOM 0 H THR A 59 2.737 -10.575 -1.250 1.00 0.00 H new ATOM 0 HA THR A 59 0.933 -11.887 0.688 1.00 0.00 H new ATOM 0 HB THR A 59 3.053 -13.033 1.575 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.635 -13.495 -0.131 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.813 -15.009 0.085 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.235 -14.329 0.547 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.900 -14.013 -1.073 1.00 0.00 H new ATOM 966 N ARG A 60 2.230 -10.692 2.640 1.00 0.00 N ATOM 967 CA ARG A 60 2.635 -9.745 3.696 1.00 0.00 C ATOM 968 C ARG A 60 4.165 -9.587 3.742 1.00 0.00 C ATOM 969 O ARG A 60 4.906 -10.569 3.575 1.00 0.00 O ATOM 970 CB ARG A 60 2.117 -10.214 5.081 1.00 0.00 C ATOM 971 CG ARG A 60 0.581 -10.217 5.241 1.00 0.00 C ATOM 972 CD ARG A 60 0.163 -10.591 6.673 1.00 0.00 C ATOM 973 NE ARG A 60 0.808 -9.700 7.655 1.00 0.00 N ATOM 974 CZ ARG A 60 1.049 -9.987 8.942 1.00 0.00 C ATOM 975 NH1 ARG A 60 0.667 -11.139 9.476 1.00 0.00 N ATOM 976 NH2 ARG A 60 1.677 -9.104 9.694 1.00 0.00 N ATOM 0 H ARG A 60 1.771 -11.528 3.002 1.00 0.00 H new ATOM 0 HA ARG A 60 2.192 -8.778 3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.488 -11.222 5.268 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.545 -9.569 5.849 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.186 -9.232 4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.142 -10.924 4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.921 -10.523 6.770 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.437 -11.626 6.878 1.00 0.00 H new ATOM 0 HE ARG A 60 1.098 -8.780 7.324 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.179 -11.829 8.905 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.861 -11.335 10.458 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.974 -8.213 9.295 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.866 -9.312 10.675 1.00 0.00 H new ATOM 990 N GLY A 61 4.618 -8.345 3.968 1.00 0.00 N ATOM 991 CA GLY A 61 6.042 -8.014 4.041 1.00 0.00 C ATOM 992 C GLY A 61 6.599 -7.494 2.722 1.00 0.00 C ATOM 993 O GLY A 61 7.589 -6.757 2.718 1.00 0.00 O ATOM 0 H GLY A 61 4.003 -7.543 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.196 -7.263 4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.601 -8.900 4.341 1.00 0.00 H new ATOM 997 N ALA A 62 5.961 -7.877 1.603 1.00 0.00 N ATOM 998 CA ALA A 62 6.390 -7.480 0.251 1.00 0.00 C ATOM 999 C ALA A 62 6.188 -5.974 0.030 1.00 0.00 C ATOM 1000 O ALA A 62 5.187 -5.411 0.485 1.00 0.00 O ATOM 1001 CB ALA A 62 5.612 -8.287 -0.805 1.00 0.00 C ATOM 0 H ALA A 62 5.132 -8.471 1.610 1.00 0.00 H new ATOM 0 HA ALA A 62 7.454 -7.695 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.935 -7.988 -1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.805 -9.351 -0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.545 -8.095 -0.696 1.00 0.00 H new ATOM 1007 N VAL A 63 7.152 -5.319 -0.634 1.00 0.00 N ATOM 1008 CA VAL A 63 7.003 -3.925 -1.049 1.00 0.00 C ATOM 1009 C VAL A 63 6.465 -3.901 -2.483 1.00 0.00 C ATOM 1010 O VAL A 63 7.183 -4.241 -3.429 1.00 0.00 O ATOM 1011 CB VAL A 63 8.357 -3.128 -0.967 1.00 0.00 C ATOM 1012 CG1 VAL A 63 8.200 -1.664 -1.454 1.00 0.00 C ATOM 1013 CG2 VAL A 63 8.945 -3.175 0.462 1.00 0.00 C ATOM 0 H VAL A 63 8.045 -5.738 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 63 6.308 -3.435 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 63 9.059 -3.619 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.159 -1.151 -1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.865 -1.660 -2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.465 -1.151 -0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.880 -2.616 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.237 -2.731 1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.133 -4.211 0.744 1.00 0.00 H new ATOM 1023 N VAL A 64 5.218 -3.469 -2.641 1.00 0.00 N ATOM 1024 CA VAL A 64 4.589 -3.333 -3.953 1.00 0.00 C ATOM 1025 C VAL A 64 4.636 -1.859 -4.352 1.00 0.00 C ATOM 1026 O VAL A 64 4.488 -0.965 -3.507 1.00 0.00 O ATOM 1027 CB VAL A 64 3.104 -3.866 -3.986 1.00 0.00 C ATOM 1028 CG1 VAL A 64 3.061 -5.395 -3.742 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.183 -3.112 -2.986 1.00 0.00 C ATOM 0 H VAL A 64 4.614 -3.203 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 64 5.142 -3.948 -4.663 1.00 0.00 H new ATOM 0 HB VAL A 64 2.714 -3.666 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.027 -5.739 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.633 -5.904 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.493 -5.620 -2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.172 -3.516 -3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.564 -3.240 -1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.166 -2.051 -3.236 1.00 0.00 H new ATOM 1039 N GLU A 65 4.874 -1.604 -5.637 1.00 0.00 N ATOM 1040 CA GLU A 65 4.922 -0.245 -6.167 1.00 0.00 C ATOM 1041 C GLU A 65 3.528 0.069 -6.695 1.00 0.00 C ATOM 1042 O GLU A 65 2.888 -0.792 -7.304 1.00 0.00 O ATOM 1043 CB GLU A 65 5.987 -0.119 -7.277 1.00 0.00 C ATOM 1044 CG GLU A 65 6.108 1.295 -7.887 1.00 0.00 C ATOM 1045 CD GLU A 65 7.074 1.350 -9.072 1.00 0.00 C ATOM 1046 OE1 GLU A 65 6.787 0.705 -10.106 1.00 0.00 O ATOM 1047 OE2 GLU A 65 8.130 2.021 -8.982 1.00 0.00 O ATOM 0 H GLU A 65 5.038 -2.329 -6.335 1.00 0.00 H new ATOM 0 HA GLU A 65 5.207 0.466 -5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.955 -0.410 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.751 -0.826 -8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.123 1.631 -8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.444 1.990 -7.118 1.00 0.00 H new ATOM 1054 N THR A 66 3.044 1.270 -6.414 1.00 0.00 N ATOM 1055 CA THR A 66 1.719 1.734 -6.825 1.00 0.00 C ATOM 1056 C THR A 66 1.852 3.103 -7.493 1.00 0.00 C ATOM 1057 O THR A 66 2.955 3.677 -7.567 1.00 0.00 O ATOM 1058 CB THR A 66 0.730 1.823 -5.600 1.00 0.00 C ATOM 1059 OG1 THR A 66 1.227 2.761 -4.627 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.511 0.455 -4.919 1.00 0.00 C ATOM 0 H THR A 66 3.568 1.966 -5.884 1.00 0.00 H new ATOM 0 HA THR A 66 1.304 1.014 -7.530 1.00 0.00 H new ATOM 0 HB THR A 66 -0.229 2.159 -5.993 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.183 2.604 -4.480 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.178 0.571 -4.082 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.091 -0.247 -5.639 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.465 0.073 -4.554 1.00 0.00 H new ATOM 1068 N ASN A 67 0.717 3.607 -7.981 1.00 0.00 N ATOM 1069 CA ASN A 67 0.593 4.961 -8.544 1.00 0.00 C ATOM 1070 C ASN A 67 0.872 6.033 -7.471 1.00 0.00 C ATOM 1071 O ASN A 67 1.272 7.153 -7.802 1.00 0.00 O ATOM 1072 CB ASN A 67 -0.827 5.159 -9.146 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.963 4.912 -8.148 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -1.841 4.111 -7.220 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -3.080 5.573 -8.332 1.00 0.00 N ATOM 0 H ASN A 67 -0.157 3.082 -7.998 1.00 0.00 H new ATOM 0 HA ASN A 67 1.335 5.073 -9.335 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.909 6.175 -9.531 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.949 4.486 -9.994 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.868 5.428 -7.701 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.161 6.232 -9.106 1.00 0.00 H new ATOM 1082 N LEU A 68 0.673 5.673 -6.181 1.00 0.00 N ATOM 1083 CA LEU A 68 0.895 6.584 -5.049 1.00 0.00 C ATOM 1084 C LEU A 68 2.353 6.501 -4.567 1.00 0.00 C ATOM 1085 O LEU A 68 2.915 7.492 -4.096 1.00 0.00 O ATOM 1086 CB LEU A 68 -0.089 6.245 -3.898 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.613 6.379 -4.247 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.503 6.029 -3.030 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.952 7.795 -4.795 1.00 0.00 C ATOM 0 H LEU A 68 0.355 4.744 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 68 0.708 7.607 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.102 5.223 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.130 6.897 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.827 5.659 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.553 6.132 -3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.308 5.002 -2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.276 6.706 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.016 7.851 -5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.704 8.545 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.374 7.983 -5.700 1.00 0.00 H new ATOM 1101 N GLY A 69 2.947 5.300 -4.653 1.00 0.00 N ATOM 1102 CA GLY A 69 4.369 5.111 -4.365 1.00 0.00 C ATOM 1103 C GLY A 69 4.671 3.727 -3.830 1.00 0.00 C ATOM 1104 O GLY A 69 3.984 2.760 -4.168 1.00 0.00 O ATOM 0 H GLY A 69 2.458 4.446 -4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.947 5.280 -5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.692 5.857 -3.639 1.00 0.00 H new ATOM 1108 N ASN A 70 5.710 3.631 -2.993 1.00 0.00 N ATOM 1109 CA ASN A 70 6.151 2.364 -2.383 1.00 0.00 C ATOM 1110 C ASN A 70 5.231 2.029 -1.209 1.00 0.00 C ATOM 1111 O ASN A 70 4.958 2.898 -0.378 1.00 0.00 O ATOM 1112 CB ASN A 70 7.615 2.505 -1.894 1.00 0.00 C ATOM 1113 CG ASN A 70 8.554 3.107 -2.936 1.00 0.00 C ATOM 1114 OD1 ASN A 70 9.432 3.892 -2.596 1.00 0.00 O ATOM 1115 ND2 ASN A 70 8.393 2.737 -4.206 1.00 0.00 N ATOM 0 H ASN A 70 6.275 4.434 -2.716 1.00 0.00 H new ATOM 0 HA ASN A 70 6.103 1.561 -3.118 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.632 3.128 -1.000 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.989 1.523 -1.605 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.010 3.109 -4.928 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.652 2.082 -4.456 1.00 0.00 H new ATOM 1122 N VAL A 71 4.706 0.795 -1.167 1.00 0.00 N ATOM 1123 CA VAL A 71 3.802 0.340 -0.091 1.00 0.00 C ATOM 1124 C VAL A 71 4.307 -0.984 0.520 1.00 0.00 C ATOM 1125 O VAL A 71 4.716 -1.883 -0.205 1.00 0.00 O ATOM 1126 CB VAL A 71 2.335 0.133 -0.651 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.332 -0.224 0.470 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.856 1.369 -1.449 1.00 0.00 C ATOM 0 H VAL A 71 4.893 0.084 -1.874 1.00 0.00 H new ATOM 0 HA VAL A 71 3.787 1.108 0.683 1.00 0.00 H new ATOM 0 HB VAL A 71 2.374 -0.715 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.339 -0.357 0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.644 -1.148 0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.305 0.581 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.846 1.194 -1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.858 2.244 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.526 1.541 -2.291 1.00 0.00 H new ATOM 1138 N ARG A 72 4.249 -1.082 1.859 1.00 0.00 N ATOM 1139 CA ARG A 72 4.482 -2.339 2.598 1.00 0.00 C ATOM 1140 C ARG A 72 3.130 -3.037 2.762 1.00 0.00 C ATOM 1141 O ARG A 72 2.237 -2.478 3.396 1.00 0.00 O ATOM 1142 CB ARG A 72 5.110 -2.064 4.003 1.00 0.00 C ATOM 1143 CG ARG A 72 6.648 -2.036 4.050 1.00 0.00 C ATOM 1144 CD ARG A 72 7.290 -3.420 3.839 1.00 0.00 C ATOM 1145 NE ARG A 72 8.762 -3.347 3.951 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.579 -4.339 4.345 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.114 -5.530 4.684 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.880 -4.122 4.402 1.00 0.00 N ATOM 0 H ARG A 72 4.038 -0.288 2.464 1.00 0.00 H new ATOM 0 HA ARG A 72 5.182 -2.964 2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.736 -1.107 4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.757 -2.829 4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.015 -1.352 3.285 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.968 -1.638 5.013 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.900 -4.121 4.577 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.016 -3.806 2.857 1.00 0.00 H new ATOM 0 HE ARG A 72 9.200 -2.459 3.706 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.111 -5.715 4.650 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.758 -6.264 4.979 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.256 -3.208 4.148 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.509 -4.868 4.700 1.00 0.00 H new ATOM 1162 N VAL A 73 2.990 -4.242 2.199 1.00 0.00 N ATOM 1163 CA VAL A 73 1.752 -5.026 2.302 1.00 0.00 C ATOM 1164 C VAL A 73 1.624 -5.557 3.737 1.00 0.00 C ATOM 1165 O VAL A 73 2.390 -6.431 4.156 1.00 0.00 O ATOM 1166 CB VAL A 73 1.737 -6.202 1.261 1.00 0.00 C ATOM 1167 CG1 VAL A 73 0.432 -7.030 1.343 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.961 -5.650 -0.166 1.00 0.00 C ATOM 0 H VAL A 73 3.726 -4.700 1.662 1.00 0.00 H new ATOM 0 HA VAL A 73 0.899 -4.388 2.073 1.00 0.00 H new ATOM 0 HB VAL A 73 2.555 -6.880 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.463 -7.833 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.334 -7.457 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.422 -6.384 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.949 -6.473 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.167 -4.944 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.925 -5.143 -0.213 1.00 0.00 H new ATOM 1178 N THR A 74 0.669 -5.001 4.489 1.00 0.00 N ATOM 1179 CA THR A 74 0.520 -5.263 5.927 1.00 0.00 C ATOM 1180 C THR A 74 -0.564 -6.315 6.132 1.00 0.00 C ATOM 1181 O THR A 74 -0.362 -7.310 6.827 1.00 0.00 O ATOM 1182 CB THR A 74 0.159 -3.946 6.686 1.00 0.00 C ATOM 1183 OG1 THR A 74 -0.958 -3.310 6.044 1.00 0.00 O ATOM 1184 CG2 THR A 74 1.347 -2.971 6.737 1.00 0.00 C ATOM 0 H THR A 74 -0.026 -4.354 4.117 1.00 0.00 H new ATOM 0 HA THR A 74 1.463 -5.634 6.329 1.00 0.00 H new ATOM 0 HB THR A 74 -0.099 -4.212 7.711 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.184 -2.485 6.522 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.054 -2.068 7.273 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.184 -3.443 7.252 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.647 -2.709 5.722 1.00 0.00 H new ATOM 1192 N SER A 75 -1.722 -6.065 5.510 1.00 0.00 N ATOM 1193 CA SER A 75 -2.861 -6.987 5.525 1.00 0.00 C ATOM 1194 C SER A 75 -2.678 -8.069 4.453 1.00 0.00 C ATOM 1195 O SER A 75 -2.036 -7.834 3.418 1.00 0.00 O ATOM 1196 CB SER A 75 -4.164 -6.207 5.288 1.00 0.00 C ATOM 1197 OG SER A 75 -5.318 -7.023 5.395 1.00 0.00 O ATOM 0 H SER A 75 -1.895 -5.211 4.979 1.00 0.00 H new ATOM 0 HA SER A 75 -2.916 -7.474 6.499 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.232 -5.393 6.010 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.136 -5.753 4.297 1.00 0.00 H new ATOM 0 HG SER A 75 -5.133 -7.774 5.997 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.249 -9.253 4.718 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.254 -10.376 3.778 1.00 0.00 C ATOM 1205 C ARG A 76 -4.238 -10.079 2.618 1.00 0.00 C ATOM 1206 O ARG A 76 -5.391 -9.732 2.882 1.00 0.00 O ATOM 1207 CB ARG A 76 -3.652 -11.683 4.534 1.00 0.00 C ATOM 1208 CG ARG A 76 -3.963 -12.908 3.635 1.00 0.00 C ATOM 1209 CD ARG A 76 -2.786 -13.342 2.751 1.00 0.00 C ATOM 1210 NE ARG A 76 -3.163 -14.424 1.824 1.00 0.00 N ATOM 1211 CZ ARG A 76 -2.640 -14.618 0.600 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -1.722 -13.785 0.103 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -3.054 -15.647 -0.128 1.00 0.00 N ATOM 0 H ARG A 76 -3.723 -9.456 5.598 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.259 -10.512 3.354 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.842 -11.950 5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.528 -11.474 5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.259 -13.745 4.267 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.816 -12.673 2.998 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.425 -12.486 2.181 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.962 -13.675 3.382 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.879 -15.080 2.136 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.407 -12.986 0.654 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.336 -13.947 -0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.762 -16.281 0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.664 -15.804 -1.058 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.768 -10.150 1.325 1.00 0.00 N ATOM 1228 CA PRO A 77 -4.656 -10.236 0.140 1.00 0.00 C ATOM 1229 C PRO A 77 -5.693 -11.377 0.289 1.00 0.00 C ATOM 1230 O PRO A 77 -5.353 -12.563 0.151 1.00 0.00 O ATOM 1231 CB PRO A 77 -3.666 -10.523 -1.021 1.00 0.00 C ATOM 1232 CG PRO A 77 -2.389 -9.880 -0.580 1.00 0.00 C ATOM 1233 CD PRO A 77 -2.334 -10.090 0.919 1.00 0.00 C ATOM 0 HA PRO A 77 -5.248 -9.334 -0.014 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.539 -11.594 -1.181 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.021 -10.101 -1.961 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.529 -10.334 -1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.376 -8.819 -0.829 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.807 -11.010 1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.811 -9.274 1.418 1.00 0.00 H new ATOM 1241 N GLY A 78 -6.930 -11.000 0.638 1.00 0.00 N ATOM 1242 CA GLY A 78 -8.007 -11.956 0.904 1.00 0.00 C ATOM 1243 C GLY A 78 -8.859 -11.519 2.085 1.00 0.00 C ATOM 1244 O GLY A 78 -10.067 -11.789 2.114 1.00 0.00 O ATOM 0 H GLY A 78 -7.210 -10.025 0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.634 -12.055 0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.581 -12.939 1.105 1.00 0.00 H new ATOM 1248 N GLN A 79 -8.215 -10.844 3.068 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.909 -10.186 4.193 1.00 0.00 C ATOM 1250 C GLN A 79 -9.753 -9.027 3.649 1.00 0.00 C ATOM 1251 O GLN A 79 -9.193 -8.085 3.071 1.00 0.00 O ATOM 1252 CB GLN A 79 -7.892 -9.692 5.261 1.00 0.00 C ATOM 1253 CG GLN A 79 -7.174 -10.832 6.017 1.00 0.00 C ATOM 1254 CD GLN A 79 -6.172 -10.351 7.078 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -5.527 -9.318 6.926 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -6.039 -11.102 8.159 1.00 0.00 N ATOM 0 H GLN A 79 -7.201 -10.743 3.100 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.565 -10.904 4.685 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.145 -9.065 4.774 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.414 -9.064 5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.922 -11.461 6.499 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.649 -11.458 5.295 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.589 -11.956 8.258 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.387 -10.827 8.894 1.00 0.00 H new ATOM 1265 N ASP A 80 -11.104 -9.181 3.762 1.00 0.00 N ATOM 1266 CA ASP A 80 -12.132 -8.298 3.139 1.00 0.00 C ATOM 1267 C ASP A 80 -12.294 -8.588 1.618 1.00 0.00 C ATOM 1268 O ASP A 80 -13.341 -8.283 1.024 1.00 0.00 O ATOM 1269 CB ASP A 80 -11.859 -6.781 3.415 1.00 0.00 C ATOM 1270 CG ASP A 80 -12.905 -5.833 2.806 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -14.015 -5.712 3.365 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -12.630 -5.213 1.750 1.00 0.00 O ATOM 0 H ASP A 80 -11.517 -9.941 4.302 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.082 -8.536 3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.822 -6.620 4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.877 -6.522 3.020 1.00 0.00 H new ATOM 1277 N GLY A 81 -11.281 -9.242 1.019 1.00 0.00 N ATOM 1278 CA GLY A 81 -11.191 -9.435 -0.428 1.00 0.00 C ATOM 1279 C GLY A 81 -10.078 -8.595 -1.034 1.00 0.00 C ATOM 1280 O GLY A 81 -9.263 -9.099 -1.818 1.00 0.00 O ATOM 0 H GLY A 81 -10.501 -9.651 1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.013 -10.488 -0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.141 -9.170 -0.891 1.00 0.00 H new ATOM 1284 N VAL A 82 -10.045 -7.305 -0.651 1.00 0.00 N ATOM 1285 CA VAL A 82 -9.027 -6.340 -1.108 1.00 0.00 C ATOM 1286 C VAL A 82 -7.666 -6.585 -0.398 1.00 0.00 C ATOM 1287 O VAL A 82 -7.586 -7.323 0.604 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.523 -4.858 -0.852 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -9.529 -4.503 0.655 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -8.727 -3.813 -1.678 1.00 0.00 C ATOM 0 H VAL A 82 -10.729 -6.900 -0.011 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.880 -6.483 -2.178 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.554 -4.816 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.876 -3.478 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.196 -5.182 1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.520 -4.599 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.108 -2.814 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.672 -3.864 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.842 -4.026 -2.741 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.606 -5.969 -0.947 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.278 -5.893 -0.321 1.00 0.00 C ATOM 1302 C ILE A 83 -5.199 -4.568 0.467 1.00 0.00 C ATOM 1303 O ILE A 83 -5.829 -3.580 0.073 1.00 0.00 O ATOM 1304 CB ILE A 83 -4.143 -5.936 -1.423 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.400 -7.112 -2.419 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.732 -6.047 -0.782 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.415 -7.220 -3.566 1.00 0.00 C ATOM 0 H ILE A 83 -6.650 -5.503 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.131 -6.743 0.346 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.174 -4.998 -1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.386 -8.048 -1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.403 -7.003 -2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.977 -6.074 -1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.556 -5.185 -0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.672 -6.960 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.683 -8.067 -4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.443 -6.304 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.410 -7.366 -3.170 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.452 -4.548 1.575 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.200 -3.317 2.354 1.00 0.00 C ATOM 1321 C ASN A 84 -2.719 -3.270 2.747 1.00 0.00 C ATOM 1322 O ASN A 84 -2.089 -4.315 2.978 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.118 -3.257 3.604 1.00 0.00 C ATOM 1324 CG ASN A 84 -4.948 -1.996 4.472 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -5.793 -1.003 4.266 1.00 0.00 O flip ATOM 1326 ND2 ASN A 84 -4.082 -1.934 5.348 1.00 0.00 N flip ATOM 0 H ASN A 84 -4.003 -5.378 1.962 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.433 -2.445 1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.156 -3.319 3.278 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.925 -4.134 4.221 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.441 -2.715 5.487 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.007 -1.102 5.933 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.181 -2.049 2.821 1.00 0.00 N ATOM 1334 CA GLY A 85 -0.779 -1.822 3.159 1.00 0.00 C ATOM 1335 C GLY A 85 -0.576 -0.449 3.769 1.00 0.00 C ATOM 1336 O GLY A 85 -1.550 0.264 3.999 1.00 0.00 O ATOM 0 H GLY A 85 -2.708 -1.193 2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.443 -2.587 3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.166 -1.919 2.263 1.00 0.00 H new ATOM 1340 N VAL A 86 0.687 -0.076 4.048 1.00 0.00 N ATOM 1341 CA VAL A 86 1.044 1.273 4.539 1.00 0.00 C ATOM 1342 C VAL A 86 2.038 1.937 3.570 1.00 0.00 C ATOM 1343 O VAL A 86 2.954 1.281 3.060 1.00 0.00 O ATOM 1344 CB VAL A 86 1.632 1.270 6.009 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.563 0.832 7.043 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.909 0.393 6.116 1.00 0.00 C ATOM 0 H VAL A 86 1.488 -0.698 3.941 1.00 0.00 H new ATOM 0 HA VAL A 86 0.119 1.848 4.579 1.00 0.00 H new ATOM 0 HB VAL A 86 1.921 2.295 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.998 0.840 8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.280 1.522 7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.218 -0.175 6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.282 0.417 7.140 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.669 -0.634 5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.674 0.780 5.442 1.00 0.00 H new ATOM 1356 N LEU A 87 1.827 3.236 3.303 1.00 0.00 N ATOM 1357 CA LEU A 87 2.696 4.037 2.430 1.00 0.00 C ATOM 1358 C LEU A 87 4.079 4.228 3.088 1.00 0.00 C ATOM 1359 O LEU A 87 4.164 4.625 4.248 1.00 0.00 O ATOM 1360 CB LEU A 87 2.022 5.410 2.165 1.00 0.00 C ATOM 1361 CG LEU A 87 2.725 6.359 1.147 1.00 0.00 C ATOM 1362 CD1 LEU A 87 2.840 5.712 -0.260 1.00 0.00 C ATOM 1363 CD2 LEU A 87 1.996 7.721 1.079 1.00 0.00 C ATOM 0 H LEU A 87 1.043 3.762 3.690 1.00 0.00 H new ATOM 0 HA LEU A 87 2.841 3.520 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.007 5.227 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.939 5.936 3.116 1.00 0.00 H new ATOM 0 HG LEU A 87 3.741 6.532 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.335 6.405 -0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.422 4.793 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.843 5.483 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.502 8.369 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.965 7.566 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.007 8.189 2.063 1.00 0.00 H new ATOM 1375 N ILE A 88 5.153 3.929 2.345 1.00 0.00 N ATOM 1376 CA ILE A 88 6.543 4.000 2.847 1.00 0.00 C ATOM 1377 C ILE A 88 7.433 4.802 1.876 1.00 0.00 C ATOM 1378 O ILE A 88 6.975 5.295 0.831 1.00 0.00 O ATOM 1379 CB ILE A 88 7.168 2.554 3.051 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.261 1.785 1.689 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.371 1.737 4.103 1.00 0.00 C ATOM 1382 CD1 ILE A 88 8.099 0.527 1.707 1.00 0.00 C ATOM 0 H ILE A 88 5.088 3.629 1.372 1.00 0.00 H new ATOM 0 HA ILE A 88 6.507 4.504 3.813 1.00 0.00 H new ATOM 0 HB ILE A 88 8.181 2.682 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.252 1.524 1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.668 2.461 0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.825 0.753 4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.389 2.260 5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.339 1.624 3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.096 0.074 0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 88 9.122 0.775 1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.684 -0.176 2.429 1.00 0.00 H new ATOM 1394 N ARG A 89 8.710 4.916 2.265 1.00 0.00 N ATOM 1395 CA ARG A 89 9.799 5.472 1.450 1.00 0.00 C ATOM 1396 C ARG A 89 10.892 4.397 1.356 1.00 0.00 C ATOM 1397 O ARG A 89 11.415 3.957 2.389 1.00 0.00 O ATOM 1398 CB ARG A 89 10.357 6.766 2.110 1.00 0.00 C ATOM 1399 CG ARG A 89 9.375 7.960 2.132 1.00 0.00 C ATOM 1400 CD ARG A 89 9.115 8.542 0.727 1.00 0.00 C ATOM 1401 NE ARG A 89 10.346 9.107 0.137 1.00 0.00 N ATOM 1402 CZ ARG A 89 10.433 10.241 -0.577 1.00 0.00 C ATOM 1403 NH1 ARG A 89 9.362 10.971 -0.855 1.00 0.00 N ATOM 1404 NH2 ARG A 89 11.608 10.618 -1.040 1.00 0.00 N ATOM 0 H ARG A 89 9.024 4.613 3.187 1.00 0.00 H new ATOM 0 HA ARG A 89 9.442 5.739 0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.650 6.537 3.134 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.260 7.067 1.579 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.429 7.639 2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.775 8.743 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.724 7.761 0.075 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.351 9.317 0.789 1.00 0.00 H new ATOM 0 HE ARG A 89 11.211 8.587 0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.443 10.675 -0.524 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.456 11.828 -1.399 1.00 0.00 H new ATOM 0 HH21 ARG A 89 12.435 10.051 -0.854 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.690 11.477 -1.584 1.00 0.00 H new ATOM 1418 N GLU A 90 11.211 3.953 0.133 1.00 0.00 N ATOM 1419 CA GLU A 90 12.205 2.897 -0.094 1.00 0.00 C ATOM 1420 C GLU A 90 12.878 3.131 -1.460 1.00 0.00 C ATOM 1421 O GLU A 90 14.064 3.486 -1.527 1.00 0.00 O ATOM 1422 CB GLU A 90 11.516 1.488 -0.007 1.00 0.00 C ATOM 1423 CG GLU A 90 12.411 0.332 0.493 1.00 0.00 C ATOM 1424 CD GLU A 90 13.695 0.127 -0.326 1.00 0.00 C ATOM 1425 OE1 GLU A 90 13.604 -0.338 -1.471 1.00 0.00 O ATOM 1426 OE2 GLU A 90 14.796 0.443 0.168 1.00 0.00 O ATOM 0 H GLU A 90 10.789 4.314 -0.723 1.00 0.00 H new ATOM 0 HA GLU A 90 12.977 2.926 0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.653 1.567 0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.137 1.228 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 90 12.683 0.521 1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 90 11.833 -0.592 0.478 1.00 0.00 H new ATOM 1433 N LEU A 91 12.106 2.949 -2.545 1.00 0.00 N ATOM 1434 CA LEU A 91 12.610 3.069 -3.928 1.00 0.00 C ATOM 1435 C LEU A 91 11.741 4.049 -4.749 1.00 0.00 C ATOM 1436 O LEU A 91 10.868 3.659 -5.539 1.00 0.00 O ATOM 1437 CB LEU A 91 12.758 1.675 -4.632 1.00 0.00 C ATOM 1438 CG LEU A 91 11.468 0.796 -4.850 1.00 0.00 C ATOM 1439 CD1 LEU A 91 11.735 -0.355 -5.840 1.00 0.00 C ATOM 1440 CD2 LEU A 91 10.899 0.244 -3.527 1.00 0.00 C ATOM 0 H LEU A 91 11.115 2.715 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 91 13.615 3.486 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 91 13.211 1.845 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.466 1.084 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 91 10.715 1.457 -5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.826 -0.942 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.041 0.056 -6.802 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.528 -0.994 -5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.012 -0.354 -3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 91 11.650 -0.378 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 91 10.633 1.073 -2.871 1.00 0.00 H new ATOM 1452 N GLU A 92 11.978 5.352 -4.531 1.00 0.00 N ATOM 1453 CA GLU A 92 11.329 6.435 -5.316 1.00 0.00 C ATOM 1454 C GLU A 92 11.932 6.503 -6.728 1.00 0.00 C ATOM 1455 O GLU A 92 11.435 7.235 -7.593 1.00 0.00 O ATOM 1456 CB GLU A 92 11.460 7.823 -4.634 1.00 0.00 C ATOM 1457 CG GLU A 92 10.874 7.921 -3.208 1.00 0.00 C ATOM 1458 CD GLU A 92 11.769 7.289 -2.130 1.00 0.00 C ATOM 1459 OE1 GLU A 92 12.778 7.923 -1.743 1.00 0.00 O ATOM 1460 OE2 GLU A 92 11.474 6.177 -1.663 1.00 0.00 O ATOM 0 H GLU A 92 12.618 5.692 -3.813 1.00 0.00 H new ATOM 0 HA GLU A 92 10.268 6.191 -5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 92 12.516 8.090 -4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.967 8.565 -5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 92 10.710 8.970 -2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.899 7.434 -3.191 1.00 0.00 H new ATOM 1467 N HIS A 93 13.037 5.762 -6.922 1.00 0.00 N ATOM 1468 CA HIS A 93 13.628 5.524 -8.228 1.00 0.00 C ATOM 1469 C HIS A 93 12.628 4.729 -9.087 1.00 0.00 C ATOM 1470 O HIS A 93 12.533 3.497 -8.975 1.00 0.00 O ATOM 1471 CB HIS A 93 14.967 4.766 -8.060 1.00 0.00 C ATOM 1472 CG HIS A 93 15.745 4.588 -9.342 1.00 0.00 C ATOM 1473 ND1 HIS A 93 15.661 3.463 -10.133 1.00 0.00 N ATOM 1474 CD2 HIS A 93 16.643 5.398 -9.955 1.00 0.00 C ATOM 1475 CE1 HIS A 93 16.468 3.591 -11.164 1.00 0.00 C ATOM 1476 NE2 HIS A 93 17.073 4.753 -11.084 1.00 0.00 N ATOM 0 H HIS A 93 13.543 5.311 -6.160 1.00 0.00 H new ATOM 0 HA HIS A 93 13.842 6.467 -8.731 1.00 0.00 H new ATOM 0 HB2 HIS A 93 15.588 5.304 -7.343 1.00 0.00 H new ATOM 0 HB3 HIS A 93 14.764 3.784 -7.632 1.00 0.00 H new ATOM 0 HD2 HIS A 93 16.961 6.373 -9.615 1.00 0.00 H new ATOM 0 HE1 HIS A 93 16.609 2.861 -11.947 1.00 0.00 H new ATOM 0 HE2 HIS A 93 17.752 5.116 -11.753 1.00 0.00 H new ATOM 1485 N HIS A 94 11.853 5.467 -9.897 1.00 0.00 N ATOM 1486 CA HIS A 94 10.813 4.901 -10.770 1.00 0.00 C ATOM 1487 C HIS A 94 11.448 3.935 -11.784 1.00 0.00 C ATOM 1488 O HIS A 94 12.516 4.232 -12.333 1.00 0.00 O ATOM 1489 CB HIS A 94 10.048 6.029 -11.507 1.00 0.00 C ATOM 1490 CG HIS A 94 9.352 7.020 -10.599 1.00 0.00 C ATOM 1491 ND1 HIS A 94 8.050 6.870 -10.174 1.00 0.00 N ATOM 1492 CD2 HIS A 94 9.788 8.177 -10.031 1.00 0.00 C ATOM 1493 CE1 HIS A 94 7.720 7.872 -9.389 1.00 0.00 C ATOM 1494 NE2 HIS A 94 8.754 8.677 -9.283 1.00 0.00 N ATOM 0 H HIS A 94 11.931 6.482 -9.965 1.00 0.00 H new ATOM 0 HA HIS A 94 10.102 4.350 -10.155 1.00 0.00 H new ATOM 0 HB2 HIS A 94 10.749 6.570 -12.142 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.306 5.576 -12.165 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.766 8.619 -10.148 1.00 0.00 H new ATOM 0 HE1 HIS A 94 6.761 8.010 -8.912 1.00 0.00 H new ATOM 0 HE2 HIS A 94 8.782 9.535 -8.733 1.00 0.00 H new ATOM 1503 N HIS A 95 10.788 2.790 -12.010 1.00 0.00 N ATOM 1504 CA HIS A 95 11.308 1.717 -12.870 1.00 0.00 C ATOM 1505 C HIS A 95 11.250 2.119 -14.362 1.00 0.00 C ATOM 1506 O HIS A 95 10.259 1.854 -15.057 1.00 0.00 O ATOM 1507 CB HIS A 95 10.546 0.385 -12.612 1.00 0.00 C ATOM 1508 CG HIS A 95 10.742 -0.158 -11.227 1.00 0.00 C ATOM 1509 ND1 HIS A 95 9.758 -0.157 -10.270 1.00 0.00 N ATOM 1510 CD2 HIS A 95 11.829 -0.711 -10.637 1.00 0.00 C ATOM 1511 CE1 HIS A 95 10.225 -0.681 -9.162 1.00 0.00 C ATOM 1512 NE2 HIS A 95 11.479 -1.028 -9.351 1.00 0.00 N ATOM 0 H HIS A 95 9.877 2.581 -11.601 1.00 0.00 H new ATOM 0 HA HIS A 95 12.356 1.558 -12.615 1.00 0.00 H new ATOM 0 HB2 HIS A 95 9.482 0.545 -12.784 1.00 0.00 H new ATOM 0 HB3 HIS A 95 10.877 -0.360 -13.336 1.00 0.00 H new ATOM 0 HD1 HIS A 95 8.810 0.197 -10.400 1.00 0.00 H new ATOM 0 HD2 HIS A 95 12.793 -0.872 -11.096 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.670 -0.807 -8.244 1.00 0.00 H new ATOM 1521 N HIS A 96 12.319 2.801 -14.815 1.00 0.00 N ATOM 1522 CA HIS A 96 12.548 3.157 -16.223 1.00 0.00 C ATOM 1523 C HIS A 96 13.504 2.116 -16.853 1.00 0.00 C ATOM 1524 O HIS A 96 14.723 2.236 -16.771 1.00 0.00 O ATOM 1525 CB HIS A 96 13.076 4.629 -16.349 1.00 0.00 C ATOM 1526 CG HIS A 96 14.276 4.991 -15.490 1.00 0.00 C ATOM 1527 ND1 HIS A 96 14.157 5.504 -14.220 1.00 0.00 N ATOM 1528 CD2 HIS A 96 15.611 4.944 -15.735 1.00 0.00 C ATOM 1529 CE1 HIS A 96 15.348 5.760 -13.729 1.00 0.00 C ATOM 1530 NE2 HIS A 96 16.250 5.427 -14.626 1.00 0.00 N ATOM 0 H HIS A 96 13.062 3.126 -14.196 1.00 0.00 H new ATOM 0 HA HIS A 96 11.609 3.130 -16.776 1.00 0.00 H new ATOM 0 HB2 HIS A 96 13.335 4.811 -17.392 1.00 0.00 H new ATOM 0 HB3 HIS A 96 12.260 5.307 -16.100 1.00 0.00 H new ATOM 0 HD1 HIS A 96 13.275 5.662 -13.732 1.00 0.00 H new ATOM 0 HD2 HIS A 96 16.082 4.590 -16.640 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.552 6.174 -12.753 1.00 0.00 H new ATOM 1539 N HIS A 97 12.922 1.053 -17.422 1.00 0.00 N ATOM 1540 CA HIS A 97 13.669 -0.075 -18.005 1.00 0.00 C ATOM 1541 C HIS A 97 14.008 0.216 -19.479 1.00 0.00 C ATOM 1542 O HIS A 97 13.091 0.385 -20.291 1.00 0.00 O ATOM 1543 CB HIS A 97 12.819 -1.370 -17.889 1.00 0.00 C ATOM 1544 CG HIS A 97 13.423 -2.586 -18.555 1.00 0.00 C ATOM 1545 ND1 HIS A 97 13.308 -2.848 -19.904 1.00 0.00 N ATOM 1546 CD2 HIS A 97 14.143 -3.611 -18.045 1.00 0.00 C ATOM 1547 CE1 HIS A 97 13.927 -3.973 -20.186 1.00 0.00 C ATOM 1548 NE2 HIS A 97 14.439 -4.459 -19.081 1.00 0.00 N ATOM 0 H HIS A 97 11.910 0.948 -17.493 1.00 0.00 H new ATOM 0 HA HIS A 97 14.603 -0.210 -17.460 1.00 0.00 H new ATOM 0 HB2 HIS A 97 12.662 -1.592 -16.833 1.00 0.00 H new ATOM 0 HB3 HIS A 97 11.838 -1.184 -18.325 1.00 0.00 H new ATOM 0 HD2 HIS A 97 14.432 -3.738 -17.012 1.00 0.00 H new ATOM 0 HE1 HIS A 97 14.001 -4.422 -21.165 1.00 0.00 H new ATOM 0 HE2 HIS A 97 14.971 -5.326 -19.005 1.00 0.00 H new ATOM 1557 N HIS A 98 15.319 0.267 -19.813 1.00 0.00 N ATOM 1558 CA HIS A 98 15.778 0.408 -21.210 1.00 0.00 C ATOM 1559 C HIS A 98 15.589 -0.937 -21.968 1.00 0.00 C ATOM 1560 O HIS A 98 16.279 -1.921 -21.652 1.00 0.00 O ATOM 1561 CB HIS A 98 17.243 0.957 -21.290 1.00 0.00 C ATOM 1562 CG HIS A 98 18.289 0.258 -20.437 1.00 0.00 C ATOM 1563 ND1 HIS A 98 18.608 0.661 -19.159 1.00 0.00 N ATOM 1564 CD2 HIS A 98 19.120 -0.786 -20.702 1.00 0.00 C ATOM 1565 CE1 HIS A 98 19.579 -0.094 -18.685 1.00 0.00 C ATOM 1566 NE2 HIS A 98 19.908 -0.976 -19.599 1.00 0.00 N ATOM 1567 OXT HIS A 98 14.708 -1.013 -22.849 1.00 0.00 O ATOM 0 H HIS A 98 16.076 0.212 -19.131 1.00 0.00 H new ATOM 0 HA HIS A 98 15.161 1.155 -21.709 1.00 0.00 H new ATOM 0 HB2 HIS A 98 17.567 0.909 -22.330 1.00 0.00 H new ATOM 0 HB3 HIS A 98 17.226 2.010 -21.010 1.00 0.00 H new ATOM 0 HD2 HIS A 98 19.152 -1.360 -21.616 1.00 0.00 H new ATOM 0 HE1 HIS A 98 20.029 -0.002 -17.707 1.00 0.00 H new ATOM 0 HE2 HIS A 98 20.633 -1.687 -19.503 1.00 0.00 H new TER 1576 HIS A 98