USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 798 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 THR OG1 : rot 180:sc= -0.713 USER MOD Set 1.2: A 34 LYS NZ :NH3+ -173:sc= 1.04 (180deg=0.913) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0636 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 14 ASN : amide:sc= -0.696 K(o=-0.7,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.826) 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= -0.253 K(o=-0.25,f=-3.2!) USER MOD Single : A 42 ASN : amide:sc= -0.0738 X(o=-0.074,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.49) USER MOD Single : A 47 THR OG1 : rot -142:sc= 0.402 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 51 HIS : no HD1:sc= -0.812 K(o=-0.81,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.329 K(o=-0.33,f=-3.4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 66 THR OG1 : rot -66:sc= 1.55 USER MOD Single : A 67 ASN : amide:sc= -0.663 K(o=-0.66,f=-12!) USER MOD Single : A 70 ASN : amide:sc= -3.11! C(o=-3.1!,f=-7.5!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.062 USER MOD Single : A 75 SER OG : rot 180:sc=-0.00182 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 84 ASN : amide:sc= -0.57 X(o=-0.57,f=-1.1) USER MOD Single : A 93 HIS : no HD1:sc= -0.0224 X(o=-0.022,f=-0.022) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 95 HIS : no HD1:sc=-0.00628 X(o=-0.0063,f=-0.011) USER MOD Single : A 96 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.16) 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) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.065 32.586 -21.260 1.00 54.22 N ATOM 2 CA GLY A 1 17.495 31.210 -21.293 1.00 2.42 C ATOM 3 C GLY A 1 16.251 31.070 -20.431 1.00 13.42 C ATOM 4 O GLY A 1 15.793 32.039 -19.823 1.00 70.03 O ATOM 0 H1 GLY A 1 18.260 32.905 -22.231 1.00 54.22 H new ATOM 0 H2 GLY A 1 17.384 33.233 -20.813 1.00 54.22 H new ATOM 0 H3 GLY A 1 18.950 32.582 -20.713 1.00 54.22 H new ATOM 0 HA2 GLY A 1 17.250 30.947 -22.322 1.00 2.42 H new ATOM 0 HA3 GLY A 1 18.249 30.500 -20.953 1.00 2.42 H new ATOM 10 N ASP A 2 15.701 29.861 -20.365 1.00 33.23 N ATOM 11 CA ASP A 2 14.481 29.616 -19.598 1.00 12.13 C ATOM 12 C ASP A 2 14.422 28.173 -19.073 1.00 45.34 C ATOM 13 O ASP A 2 14.921 27.245 -19.716 1.00 13.45 O ATOM 14 CB ASP A 2 13.249 29.917 -20.464 1.00 71.22 C ATOM 15 CG ASP A 2 13.139 28.989 -21.665 1.00 11.24 C ATOM 16 OD1 ASP A 2 13.962 29.104 -22.596 1.00 43.42 O ATOM 17 OD2 ASP A 2 12.225 28.142 -21.684 1.00 35.25 O ATOM 0 H ASP A 2 16.079 29.037 -20.832 1.00 33.23 H new ATOM 0 HA ASP A 2 14.488 30.281 -18.735 1.00 12.13 H new ATOM 0 HB2 ASP A 2 12.350 29.825 -19.855 1.00 71.22 H new ATOM 0 HB3 ASP A 2 13.296 30.950 -20.810 1.00 71.22 H new ATOM 22 N ARG A 3 13.813 27.996 -17.903 1.00 43.32 N ATOM 23 CA ARG A 3 13.638 26.666 -17.309 1.00 31.53 C ATOM 24 C ARG A 3 12.308 26.576 -16.535 1.00 20.31 C ATOM 25 O ARG A 3 12.258 26.727 -15.314 1.00 14.43 O ATOM 26 CB ARG A 3 14.843 26.286 -16.411 1.00 3.02 C ATOM 27 CG ARG A 3 15.119 27.219 -15.225 1.00 12.13 C ATOM 28 CD ARG A 3 15.592 28.605 -15.657 1.00 73.12 C ATOM 29 NE ARG A 3 16.789 28.548 -16.499 1.00 62.43 N ATOM 30 CZ ARG A 3 17.461 29.598 -16.890 1.00 22.44 C ATOM 31 NH1 ARG A 3 17.112 30.786 -16.517 1.00 34.31 N ATOM 32 NH2 ARG A 3 18.496 29.453 -17.645 1.00 35.32 N ATOM 0 H ARG A 3 13.430 28.758 -17.343 1.00 43.32 H new ATOM 0 HA ARG A 3 13.597 25.941 -18.122 1.00 31.53 H new ATOM 0 HB2 ARG A 3 14.680 25.280 -16.026 1.00 3.02 H new ATOM 0 HB3 ARG A 3 15.737 26.248 -17.034 1.00 3.02 H new ATOM 0 HG2 ARG A 3 14.212 27.320 -14.629 1.00 12.13 H new ATOM 0 HG3 ARG A 3 15.874 26.767 -14.582 1.00 12.13 H new ATOM 0 HD2 ARG A 3 14.791 29.106 -16.201 1.00 73.12 H new ATOM 0 HD3 ARG A 3 15.801 29.207 -14.773 1.00 73.12 H new ATOM 0 HE ARG A 3 17.119 27.631 -16.799 1.00 62.43 H new ATOM 0 HH11 ARG A 3 16.302 30.913 -15.910 1.00 34.31 H new ATOM 0 HH12 ARG A 3 17.646 31.596 -16.830 1.00 34.31 H new ATOM 0 HH21 ARG A 3 18.789 28.520 -17.936 1.00 35.32 H new ATOM 0 HH22 ARG A 3 19.022 30.271 -17.952 1.00 35.32 H new ATOM 46 N ARG A 4 11.221 26.347 -17.266 1.00 42.41 N ATOM 47 CA ARG A 4 9.888 26.249 -16.662 1.00 44.23 C ATOM 48 C ARG A 4 9.613 24.828 -16.138 1.00 73.24 C ATOM 49 O ARG A 4 9.050 23.984 -16.833 1.00 75.53 O ATOM 50 CB ARG A 4 8.791 26.728 -17.644 1.00 31.13 C ATOM 51 CG ARG A 4 9.046 26.435 -19.130 1.00 44.44 C ATOM 52 CD ARG A 4 8.829 24.972 -19.505 1.00 25.10 C ATOM 53 NE ARG A 4 9.054 24.736 -20.931 1.00 53.32 N ATOM 54 CZ ARG A 4 8.376 23.883 -21.654 1.00 23.01 C ATOM 55 NH1 ARG A 4 7.421 23.184 -21.128 1.00 43.41 N ATOM 56 NH2 ARG A 4 8.652 23.739 -22.909 1.00 72.15 N ATOM 0 H ARG A 4 11.233 26.225 -18.279 1.00 42.41 H new ATOM 0 HA ARG A 4 9.862 26.917 -15.801 1.00 44.23 H new ATOM 0 HB2 ARG A 4 7.847 26.263 -17.359 1.00 31.13 H new ATOM 0 HB3 ARG A 4 8.666 27.804 -17.522 1.00 31.13 H new ATOM 0 HG2 ARG A 4 8.387 27.059 -19.734 1.00 44.44 H new ATOM 0 HG3 ARG A 4 10.069 26.718 -19.378 1.00 44.44 H new ATOM 0 HD2 ARG A 4 9.503 24.344 -18.922 1.00 25.10 H new ATOM 0 HD3 ARG A 4 7.813 24.677 -19.244 1.00 25.10 H new ATOM 0 HE ARG A 4 9.789 25.273 -21.392 1.00 53.32 H new ATOM 0 HH11 ARG A 4 7.191 23.296 -20.141 1.00 43.41 H new ATOM 0 HH12 ARG A 4 6.899 22.522 -21.701 1.00 43.41 H new ATOM 0 HH21 ARG A 4 9.398 24.290 -23.334 1.00 72.15 H new ATOM 0 HH22 ARG A 4 8.124 23.074 -23.474 1.00 72.15 H new ATOM 70 N VAL A 5 10.028 24.583 -14.899 1.00 22.05 N ATOM 71 CA VAL A 5 9.924 23.254 -14.277 1.00 54.13 C ATOM 72 C VAL A 5 8.487 22.913 -13.824 1.00 23.01 C ATOM 73 O VAL A 5 8.245 22.553 -12.667 1.00 15.12 O ATOM 74 CB VAL A 5 10.902 23.139 -13.074 1.00 2.11 C ATOM 75 CG1 VAL A 5 12.354 23.184 -13.553 1.00 63.12 C ATOM 76 CG2 VAL A 5 10.638 24.240 -12.042 1.00 50.40 C ATOM 0 H VAL A 5 10.445 25.292 -14.295 1.00 22.05 H new ATOM 0 HA VAL A 5 10.198 22.529 -15.044 1.00 54.13 H new ATOM 0 HB VAL A 5 10.729 22.177 -12.591 1.00 2.11 H new ATOM 0 HG11 VAL A 5 13.023 23.102 -12.696 1.00 63.12 H new ATOM 0 HG12 VAL A 5 12.537 22.355 -14.237 1.00 63.12 H new ATOM 0 HG13 VAL A 5 12.538 24.127 -14.068 1.00 63.12 H new ATOM 0 HG21 VAL A 5 11.336 24.135 -11.212 1.00 50.40 H new ATOM 0 HG22 VAL A 5 10.773 25.216 -12.509 1.00 50.40 H new ATOM 0 HG23 VAL A 5 9.617 24.153 -11.671 1.00 50.40 H new ATOM 86 N ARG A 6 7.533 22.993 -14.749 1.00 34.54 N ATOM 87 CA ARG A 6 6.136 22.664 -14.445 1.00 20.05 C ATOM 88 C ARG A 6 5.900 21.144 -14.542 1.00 24.42 C ATOM 89 O ARG A 6 5.221 20.662 -15.452 1.00 34.04 O ATOM 90 CB ARG A 6 5.182 23.406 -15.396 1.00 71.41 C ATOM 91 CG ARG A 6 5.345 24.926 -15.413 1.00 24.03 C ATOM 92 CD ARG A 6 5.094 25.560 -14.046 1.00 74.43 C ATOM 93 NE ARG A 6 4.971 27.016 -14.144 1.00 73.14 N ATOM 94 CZ ARG A 6 5.547 27.875 -13.345 1.00 70.30 C ATOM 95 NH1 ARG A 6 6.295 27.481 -12.362 1.00 51.24 N ATOM 96 NH2 ARG A 6 5.360 29.140 -13.530 1.00 1.20 N ATOM 0 H ARG A 6 7.698 23.282 -15.713 1.00 34.54 H new ATOM 0 HA ARG A 6 5.931 22.985 -13.424 1.00 20.05 H new ATOM 0 HB2 ARG A 6 5.333 23.028 -16.407 1.00 71.41 H new ATOM 0 HB3 ARG A 6 4.156 23.168 -15.116 1.00 71.41 H new ATOM 0 HG2 ARG A 6 6.353 25.176 -15.746 1.00 24.03 H new ATOM 0 HG3 ARG A 6 4.654 25.354 -16.140 1.00 24.03 H new ATOM 0 HD2 ARG A 6 4.184 25.145 -13.613 1.00 74.43 H new ATOM 0 HD3 ARG A 6 5.912 25.308 -13.371 1.00 74.43 H new ATOM 0 HE ARG A 6 4.390 27.389 -14.895 1.00 73.14 H new ATOM 0 HH11 ARG A 6 6.443 26.485 -12.201 1.00 51.24 H new ATOM 0 HH12 ARG A 6 6.736 28.167 -11.750 1.00 51.24 H new ATOM 0 HH21 ARG A 6 4.767 29.461 -14.295 1.00 1.20 H new ATOM 0 HH22 ARG A 6 5.806 29.817 -12.911 1.00 1.20 H new ATOM 110 N LEU A 7 6.493 20.394 -13.615 1.00 11.45 N ATOM 111 CA LEU A 7 6.330 18.934 -13.575 1.00 12.34 C ATOM 112 C LEU A 7 4.960 18.559 -12.989 1.00 70.20 C ATOM 113 O LEU A 7 4.304 17.623 -13.456 1.00 32.23 O ATOM 114 CB LEU A 7 7.475 18.310 -12.747 1.00 61.21 C ATOM 115 CG LEU A 7 7.611 16.768 -12.796 1.00 54.12 C ATOM 116 CD1 LEU A 7 9.014 16.342 -12.369 1.00 52.31 C ATOM 117 CD2 LEU A 7 6.571 16.078 -11.910 1.00 63.51 C ATOM 0 H LEU A 7 7.092 20.769 -12.879 1.00 11.45 H new ATOM 0 HA LEU A 7 6.375 18.540 -14.590 1.00 12.34 H new ATOM 0 HB2 LEU A 7 8.415 18.745 -13.085 1.00 61.21 H new ATOM 0 HB3 LEU A 7 7.343 18.607 -11.707 1.00 61.21 H new ATOM 0 HG LEU A 7 7.436 16.460 -13.827 1.00 54.12 H new ATOM 0 HD11 LEU A 7 9.092 15.256 -12.409 1.00 52.31 H new ATOM 0 HD12 LEU A 7 9.749 16.784 -13.042 1.00 52.31 H new ATOM 0 HD13 LEU A 7 9.203 16.682 -11.351 1.00 52.31 H new ATOM 0 HD21 LEU A 7 6.700 14.997 -11.972 1.00 63.51 H new ATOM 0 HD22 LEU A 7 6.702 16.400 -10.877 1.00 63.51 H new ATOM 0 HD23 LEU A 7 5.570 16.344 -12.249 1.00 63.51 H new ATOM 129 N ILE A 8 4.534 19.307 -11.975 1.00 21.24 N ATOM 130 CA ILE A 8 3.284 19.027 -11.262 1.00 35.33 C ATOM 131 C ILE A 8 2.058 19.088 -12.196 1.00 14.34 C ATOM 132 O ILE A 8 1.835 20.075 -12.900 1.00 11.45 O ATOM 133 CB ILE A 8 3.111 20.001 -10.052 1.00 21.15 C ATOM 134 CG1 ILE A 8 1.879 19.641 -9.177 1.00 13.12 C ATOM 135 CG2 ILE A 8 3.036 21.455 -10.524 1.00 11.35 C ATOM 136 CD1 ILE A 8 0.546 20.182 -9.671 1.00 73.04 C ATOM 0 H ILE A 8 5.039 20.120 -11.623 1.00 21.24 H new ATOM 0 HA ILE A 8 3.347 18.007 -10.883 1.00 35.33 H new ATOM 0 HB ILE A 8 3.995 19.886 -9.424 1.00 21.15 H new ATOM 0 HG12 ILE A 8 1.808 18.555 -9.109 1.00 13.12 H new ATOM 0 HG13 ILE A 8 2.051 20.013 -8.167 1.00 13.12 H new ATOM 0 HG21 ILE A 8 2.916 22.112 -9.662 1.00 11.35 H new ATOM 0 HG22 ILE A 8 3.954 21.714 -11.052 1.00 11.35 H new ATOM 0 HG23 ILE A 8 2.185 21.577 -11.194 1.00 11.35 H new ATOM 0 HD11 ILE A 8 -0.247 19.874 -8.989 1.00 73.04 H new ATOM 0 HD12 ILE A 8 0.587 21.270 -9.711 1.00 73.04 H new ATOM 0 HD13 ILE A 8 0.341 19.790 -10.667 1.00 73.04 H new ATOM 148 N ARG A 9 1.283 18.008 -12.202 1.00 22.54 N ATOM 149 CA ARG A 9 0.035 17.931 -12.969 1.00 62.30 C ATOM 150 C ARG A 9 -1.149 17.616 -12.043 1.00 31.21 C ATOM 151 O ARG A 9 -0.967 17.367 -10.848 1.00 25.33 O ATOM 152 CB ARG A 9 0.139 16.854 -14.065 1.00 2.55 C ATOM 153 CG ARG A 9 1.161 17.167 -15.156 1.00 33.52 C ATOM 154 CD ARG A 9 1.208 16.072 -16.222 1.00 13.40 C ATOM 155 NE ARG A 9 1.767 14.817 -15.711 1.00 24.31 N ATOM 156 CZ ARG A 9 1.205 13.642 -15.850 1.00 11.10 C ATOM 157 NH1 ARG A 9 0.035 13.530 -16.396 1.00 51.43 N ATOM 158 NH2 ARG A 9 1.812 12.579 -15.431 1.00 42.35 N ATOM 0 H ARG A 9 1.498 17.160 -11.677 1.00 22.54 H new ATOM 0 HA ARG A 9 -0.133 18.900 -13.440 1.00 62.30 H new ATOM 0 HB2 ARG A 9 0.400 15.903 -13.601 1.00 2.55 H new ATOM 0 HB3 ARG A 9 -0.840 16.725 -14.526 1.00 2.55 H new ATOM 0 HG2 ARG A 9 0.912 18.119 -15.624 1.00 33.52 H new ATOM 0 HG3 ARG A 9 2.148 17.280 -14.708 1.00 33.52 H new ATOM 0 HD2 ARG A 9 0.201 15.891 -16.598 1.00 13.40 H new ATOM 0 HD3 ARG A 9 1.806 16.416 -17.066 1.00 13.40 H new ATOM 0 HE ARG A 9 2.656 14.862 -15.212 1.00 24.31 H new ATOM 0 HH11 ARG A 9 -0.457 14.362 -16.722 1.00 51.43 H new ATOM 0 HH12 ARG A 9 -0.394 12.610 -16.499 1.00 51.43 H new ATOM 0 HH21 ARG A 9 2.729 12.655 -14.992 1.00 42.35 H new ATOM 0 HH22 ARG A 9 1.373 11.665 -15.540 1.00 42.35 H new ATOM 172 N THR A 10 -2.362 17.644 -12.591 1.00 54.23 N ATOM 173 CA THR A 10 -3.563 17.272 -11.828 1.00 11.24 C ATOM 174 C THR A 10 -3.479 15.836 -11.290 1.00 33.22 C ATOM 175 O THR A 10 -2.888 14.957 -11.918 1.00 54.02 O ATOM 176 CB THR A 10 -4.854 17.401 -12.673 1.00 43.51 C ATOM 177 OG1 THR A 10 -5.989 16.945 -11.913 1.00 62.34 O ATOM 178 CG2 THR A 10 -4.753 16.601 -13.971 1.00 32.40 C ATOM 0 H THR A 10 -2.544 17.919 -13.556 1.00 54.23 H new ATOM 0 HA THR A 10 -3.607 17.972 -10.993 1.00 11.24 H new ATOM 0 HB THR A 10 -4.981 18.453 -12.928 1.00 43.51 H new ATOM 0 HG1 THR A 10 -6.801 17.032 -12.454 1.00 62.34 H new ATOM 0 HG21 THR A 10 -5.676 16.713 -14.540 1.00 32.40 H new ATOM 0 HG22 THR A 10 -3.915 16.970 -14.562 1.00 32.40 H new ATOM 0 HG23 THR A 10 -4.596 15.548 -13.738 1.00 32.40 H new ATOM 186 N ARG A 11 -4.070 15.609 -10.121 1.00 1.01 N ATOM 187 CA ARG A 11 -4.103 14.274 -9.511 1.00 23.02 C ATOM 188 C ARG A 11 -5.429 13.565 -9.831 1.00 63.23 C ATOM 189 O ARG A 11 -5.527 12.333 -9.793 1.00 44.20 O ATOM 190 CB ARG A 11 -3.926 14.399 -7.990 1.00 4.22 C ATOM 191 CG ARG A 11 -3.804 13.066 -7.258 1.00 44.13 C ATOM 192 CD ARG A 11 -3.810 13.255 -5.745 1.00 61.23 C ATOM 193 NE ARG A 11 -5.062 13.848 -5.276 1.00 73.44 N ATOM 194 CZ ARG A 11 -5.175 14.589 -4.209 1.00 10.13 C ATOM 195 NH1 ARG A 11 -4.141 14.874 -3.481 1.00 65.44 N ATOM 196 NH2 ARG A 11 -6.335 15.050 -3.874 1.00 71.35 N ATOM 0 H ARG A 11 -4.535 16.332 -9.572 1.00 1.01 H new ATOM 0 HA ARG A 11 -3.288 13.679 -9.923 1.00 23.02 H new ATOM 0 HB2 ARG A 11 -3.035 14.994 -7.788 1.00 4.22 H new ATOM 0 HB3 ARG A 11 -4.775 14.948 -7.582 1.00 4.22 H new ATOM 0 HG2 ARG A 11 -4.629 12.414 -7.547 1.00 44.13 H new ATOM 0 HG3 ARG A 11 -2.883 12.567 -7.560 1.00 44.13 H new ATOM 0 HD2 ARG A 11 -3.659 12.292 -5.258 1.00 61.23 H new ATOM 0 HD3 ARG A 11 -2.975 13.893 -5.455 1.00 61.23 H new ATOM 0 HE ARG A 11 -5.905 13.670 -5.821 1.00 73.44 H new ATOM 0 HH11 ARG A 11 -3.221 14.517 -3.740 1.00 65.44 H new ATOM 0 HH12 ARG A 11 -4.247 15.455 -2.649 1.00 65.44 H new ATOM 0 HH21 ARG A 11 -7.154 14.833 -4.443 1.00 71.35 H new ATOM 0 HH22 ARG A 11 -6.432 15.630 -3.041 1.00 71.35 H new ATOM 210 N GLY A 12 -6.445 14.364 -10.148 1.00 22.34 N ATOM 211 CA GLY A 12 -7.780 13.845 -10.417 1.00 30.43 C ATOM 212 C GLY A 12 -8.873 14.783 -9.920 1.00 35.13 C ATOM 213 O GLY A 12 -8.696 16.001 -9.920 1.00 33.42 O ATOM 0 H GLY A 12 -6.366 15.378 -10.225 1.00 22.34 H new ATOM 0 HA2 GLY A 12 -7.898 13.688 -11.489 1.00 30.43 H new ATOM 0 HA3 GLY A 12 -7.893 12.872 -9.938 1.00 30.43 H new ATOM 217 N GLY A 13 -10.005 14.224 -9.507 1.00 15.25 N ATOM 218 CA GLY A 13 -11.089 15.036 -8.966 1.00 42.21 C ATOM 219 C GLY A 13 -12.202 14.191 -8.359 1.00 73.41 C ATOM 220 O GLY A 13 -12.325 14.086 -7.137 1.00 34.32 O ATOM 0 H GLY A 13 -10.195 13.222 -9.536 1.00 15.25 H new ATOM 0 HA2 GLY A 13 -10.691 15.708 -8.206 1.00 42.21 H new ATOM 0 HA3 GLY A 13 -11.502 15.660 -9.758 1.00 42.21 H new ATOM 224 N ASN A 14 -13.013 13.575 -9.215 1.00 41.23 N ATOM 225 CA ASN A 14 -14.069 12.665 -8.764 1.00 1.14 C ATOM 226 C ASN A 14 -13.517 11.242 -8.583 1.00 33.24 C ATOM 227 O ASN A 14 -12.304 11.024 -8.635 1.00 42.43 O ATOM 228 CB ASN A 14 -15.231 12.663 -9.767 1.00 13.55 C ATOM 229 CG ASN A 14 -15.789 14.055 -10.038 1.00 34.25 C ATOM 230 OD1 ASN A 14 -16.309 14.328 -11.114 1.00 41.32 O ATOM 231 ND2 ASN A 14 -15.694 14.948 -9.070 1.00 14.13 N ATOM 0 H ASN A 14 -12.961 13.688 -10.227 1.00 41.23 H new ATOM 0 HA ASN A 14 -14.438 13.015 -7.800 1.00 1.14 H new ATOM 0 HB2 ASN A 14 -14.892 12.225 -10.706 1.00 13.55 H new ATOM 0 HB3 ASN A 14 -16.030 12.025 -9.388 1.00 13.55 H new ATOM 0 HD21 ASN A 14 -16.058 15.891 -9.208 1.00 14.13 H new ATOM 0 HD22 ASN A 14 -15.257 14.695 -8.184 1.00 14.13 H new ATOM 238 N THR A 15 -14.400 10.277 -8.347 1.00 61.42 N ATOM 239 CA THR A 15 -13.977 8.877 -8.218 1.00 52.20 C ATOM 240 C THR A 15 -13.514 8.319 -9.569 1.00 61.44 C ATOM 241 O THR A 15 -14.325 8.090 -10.471 1.00 23.14 O ATOM 242 CB THR A 15 -15.103 7.982 -7.643 1.00 3.52 C ATOM 243 OG1 THR A 15 -15.497 8.468 -6.349 1.00 64.42 O ATOM 244 CG2 THR A 15 -14.651 6.527 -7.520 1.00 14.44 C ATOM 0 H THR A 15 -15.403 10.430 -8.241 1.00 61.42 H new ATOM 0 HA THR A 15 -13.142 8.863 -7.518 1.00 52.20 H new ATOM 0 HB THR A 15 -15.948 8.023 -8.331 1.00 3.52 H new ATOM 0 HG1 THR A 15 -16.210 7.900 -5.990 1.00 64.42 H new ATOM 0 HG21 THR A 15 -15.465 5.926 -7.113 1.00 14.44 H new ATOM 0 HG22 THR A 15 -14.376 6.147 -8.504 1.00 14.44 H new ATOM 0 HG23 THR A 15 -13.790 6.469 -6.855 1.00 14.44 H new ATOM 252 N LYS A 16 -12.206 8.127 -9.703 1.00 54.52 N ATOM 253 CA LYS A 16 -11.607 7.640 -10.954 1.00 71.44 C ATOM 254 C LYS A 16 -12.020 6.190 -11.264 1.00 23.21 C ATOM 255 O LYS A 16 -12.603 5.500 -10.426 1.00 74.12 O ATOM 256 CB LYS A 16 -10.069 7.741 -10.900 1.00 3.44 C ATOM 257 CG LYS A 16 -9.393 6.800 -9.891 1.00 22.32 C ATOM 258 CD LYS A 16 -9.536 7.282 -8.447 1.00 34.50 C ATOM 259 CE LYS A 16 -8.788 8.590 -8.210 1.00 43.23 C ATOM 260 NZ LYS A 16 -8.903 9.049 -6.801 1.00 41.55 N ATOM 0 H LYS A 16 -11.531 8.301 -8.958 1.00 54.52 H new ATOM 0 HA LYS A 16 -11.983 8.277 -11.754 1.00 71.44 H new ATOM 0 HB2 LYS A 16 -9.671 7.532 -11.893 1.00 3.44 H new ATOM 0 HB3 LYS A 16 -9.795 8.768 -10.657 1.00 3.44 H new ATOM 0 HG2 LYS A 16 -9.827 5.804 -9.982 1.00 22.32 H new ATOM 0 HG3 LYS A 16 -8.335 6.710 -10.137 1.00 22.32 H new ATOM 0 HD2 LYS A 16 -10.592 7.419 -8.212 1.00 34.50 H new ATOM 0 HD3 LYS A 16 -9.156 6.518 -7.769 1.00 34.50 H new ATOM 0 HE2 LYS A 16 -7.736 8.457 -8.464 1.00 43.23 H new ATOM 0 HE3 LYS A 16 -9.182 9.359 -8.875 1.00 43.23 H new ATOM 0 HZ1 LYS A 16 -8.065 9.612 -6.550 1.00 41.55 H new ATOM 0 HZ2 LYS A 16 -9.757 9.633 -6.695 1.00 41.55 H new ATOM 0 HZ3 LYS A 16 -8.967 8.224 -6.171 1.00 41.55 H new ATOM 274 N VAL A 17 -11.699 5.736 -12.475 1.00 10.50 N ATOM 275 CA VAL A 17 -12.015 4.369 -12.911 1.00 52.35 C ATOM 276 C VAL A 17 -11.232 3.312 -12.105 1.00 71.35 C ATOM 277 O VAL A 17 -10.089 3.548 -11.690 1.00 64.21 O ATOM 278 CB VAL A 17 -11.716 4.191 -14.426 1.00 73.11 C ATOM 279 CG1 VAL A 17 -10.230 4.408 -14.727 1.00 32.33 C ATOM 280 CG2 VAL A 17 -12.183 2.822 -14.926 1.00 40.23 C ATOM 0 H VAL A 17 -11.217 6.296 -13.178 1.00 10.50 H new ATOM 0 HA VAL A 17 -13.079 4.217 -12.730 1.00 52.35 H new ATOM 0 HB VAL A 17 -12.280 4.953 -14.965 1.00 73.11 H new ATOM 0 HG11 VAL A 17 -10.052 4.277 -15.794 1.00 32.33 H new ATOM 0 HG12 VAL A 17 -9.943 5.417 -14.433 1.00 32.33 H new ATOM 0 HG13 VAL A 17 -9.636 3.684 -14.169 1.00 32.33 H new ATOM 0 HG21 VAL A 17 -11.960 2.727 -15.989 1.00 40.23 H new ATOM 0 HG22 VAL A 17 -11.664 2.037 -14.375 1.00 40.23 H new ATOM 0 HG23 VAL A 17 -13.257 2.725 -14.771 1.00 40.23 H new ATOM 290 N ARG A 18 -11.860 2.155 -11.878 1.00 5.10 N ATOM 291 CA ARG A 18 -11.229 1.042 -11.148 1.00 0.33 C ATOM 292 C ARG A 18 -9.920 0.553 -11.802 1.00 3.43 C ATOM 293 O ARG A 18 -9.595 0.911 -12.940 1.00 34.22 O ATOM 294 CB ARG A 18 -12.217 -0.136 -10.990 1.00 21.32 C ATOM 295 CG ARG A 18 -13.136 -0.395 -12.189 1.00 42.13 C ATOM 296 CD ARG A 18 -12.378 -0.704 -13.481 1.00 24.12 C ATOM 297 NE ARG A 18 -11.533 -1.895 -13.375 1.00 2.23 N ATOM 298 CZ ARG A 18 -11.932 -3.110 -13.656 1.00 25.41 C ATOM 299 NH1 ARG A 18 -13.171 -3.347 -13.946 1.00 23.14 N ATOM 300 NH2 ARG A 18 -11.089 -4.091 -13.630 1.00 75.21 N ATOM 0 H ARG A 18 -12.811 1.960 -12.190 1.00 5.10 H new ATOM 0 HA ARG A 18 -10.965 1.431 -10.165 1.00 0.33 H new ATOM 0 HB2 ARG A 18 -11.645 -1.042 -10.791 1.00 21.32 H new ATOM 0 HB3 ARG A 18 -12.837 0.049 -10.113 1.00 21.32 H new ATOM 0 HG2 ARG A 18 -13.798 -1.229 -11.956 1.00 42.13 H new ATOM 0 HG3 ARG A 18 -13.768 0.478 -12.348 1.00 42.13 H new ATOM 0 HD2 ARG A 18 -13.093 -0.843 -14.292 1.00 24.12 H new ATOM 0 HD3 ARG A 18 -11.758 0.153 -13.746 1.00 24.12 H new ATOM 0 HE ARG A 18 -10.570 -1.770 -13.062 1.00 2.23 H new ATOM 0 HH11 ARG A 18 -13.847 -2.583 -13.957 1.00 23.14 H new ATOM 0 HH12 ARG A 18 -13.471 -4.297 -14.163 1.00 23.14 H new ATOM 0 HH21 ARG A 18 -10.113 -3.918 -13.390 1.00 75.21 H new ATOM 0 HH22 ARG A 18 -11.401 -5.037 -13.849 1.00 75.21 H new ATOM 314 N LEU A 19 -9.184 -0.286 -11.074 1.00 75.53 N ATOM 315 CA LEU A 19 -7.912 -0.837 -11.562 1.00 41.03 C ATOM 316 C LEU A 19 -8.128 -1.652 -12.851 1.00 42.21 C ATOM 317 O LEU A 19 -8.878 -2.628 -12.864 1.00 31.52 O ATOM 318 CB LEU A 19 -7.269 -1.709 -10.462 1.00 22.21 C ATOM 319 CG LEU A 19 -5.773 -2.067 -10.648 1.00 44.45 C ATOM 320 CD1 LEU A 19 -5.191 -2.607 -9.345 1.00 4.34 C ATOM 321 CD2 LEU A 19 -5.568 -3.088 -11.771 1.00 63.35 C ATOM 0 H LEU A 19 -9.445 -0.602 -10.140 1.00 75.53 H new ATOM 0 HA LEU A 19 -7.238 -0.014 -11.800 1.00 41.03 H new ATOM 0 HB2 LEU A 19 -7.380 -1.192 -9.509 1.00 22.21 H new ATOM 0 HB3 LEU A 19 -7.835 -2.638 -10.389 1.00 22.21 H new ATOM 0 HG LEU A 19 -5.251 -1.152 -10.927 1.00 44.45 H new ATOM 0 HD11 LEU A 19 -4.139 -2.854 -9.491 1.00 4.34 H new ATOM 0 HD12 LEU A 19 -5.281 -1.851 -8.565 1.00 4.34 H new ATOM 0 HD13 LEU A 19 -5.736 -3.502 -9.047 1.00 4.34 H new ATOM 0 HD21 LEU A 19 -4.506 -3.312 -11.869 1.00 63.35 H new ATOM 0 HD22 LEU A 19 -6.112 -4.003 -11.535 1.00 63.35 H new ATOM 0 HD23 LEU A 19 -5.940 -2.677 -12.709 1.00 63.35 H new ATOM 333 N ALA A 20 -7.478 -1.227 -13.930 1.00 75.42 N ATOM 334 CA ALA A 20 -7.558 -1.923 -15.218 1.00 54.03 C ATOM 335 C ALA A 20 -6.284 -1.701 -16.048 1.00 10.44 C ATOM 336 O ALA A 20 -5.572 -2.650 -16.382 1.00 60.33 O ATOM 337 CB ALA A 20 -8.789 -1.459 -15.991 1.00 24.33 C ATOM 0 H ALA A 20 -6.884 -0.398 -13.941 1.00 75.42 H new ATOM 0 HA ALA A 20 -7.647 -2.992 -15.023 1.00 54.03 H new ATOM 0 HB1 ALA A 20 -8.838 -1.983 -16.946 1.00 24.33 H new ATOM 0 HB2 ALA A 20 -9.686 -1.677 -15.411 1.00 24.33 H new ATOM 0 HB3 ALA A 20 -8.724 -0.386 -16.169 1.00 24.33 H new ATOM 343 N SER A 21 -5.996 -0.439 -16.368 1.00 3.54 N ATOM 344 CA SER A 21 -4.803 -0.089 -17.157 1.00 11.02 C ATOM 345 C SER A 21 -3.543 -0.043 -16.280 1.00 62.32 C ATOM 346 O SER A 21 -2.524 -0.649 -16.610 1.00 71.41 O ATOM 347 CB SER A 21 -4.994 1.267 -17.856 1.00 64.22 C ATOM 348 OG SER A 21 -6.143 1.262 -18.691 1.00 52.05 O ATOM 0 H SER A 21 -6.568 0.360 -16.096 1.00 3.54 H new ATOM 0 HA SER A 21 -4.671 -0.867 -17.909 1.00 11.02 H new ATOM 0 HB2 SER A 21 -5.090 2.054 -17.108 1.00 64.22 H new ATOM 0 HB3 SER A 21 -4.111 1.499 -18.451 1.00 64.22 H new ATOM 0 HG SER A 21 -6.239 2.138 -19.120 1.00 52.05 H new ATOM 354 N ASP A 22 -3.616 0.684 -15.166 1.00 40.21 N ATOM 355 CA ASP A 22 -2.480 0.801 -14.243 1.00 32.30 C ATOM 356 C ASP A 22 -2.764 0.068 -12.921 1.00 72.04 C ATOM 357 O ASP A 22 -3.868 0.153 -12.380 1.00 10.52 O ATOM 358 CB ASP A 22 -2.183 2.276 -13.942 1.00 12.33 C ATOM 359 CG ASP A 22 -2.011 3.119 -15.192 1.00 51.33 C ATOM 360 OD1 ASP A 22 -1.016 2.928 -15.918 1.00 64.00 O ATOM 361 OD2 ASP A 22 -2.865 3.992 -15.447 1.00 64.44 O ATOM 0 H ASP A 22 -4.447 1.201 -14.878 1.00 40.21 H new ATOM 0 HA ASP A 22 -1.616 0.344 -14.725 1.00 32.30 H new ATOM 0 HB2 ASP A 22 -2.995 2.688 -13.343 1.00 12.33 H new ATOM 0 HB3 ASP A 22 -1.277 2.342 -13.340 1.00 12.33 H new ATOM 366 N THR A 23 -1.764 -0.643 -12.403 1.00 0.35 N ATOM 367 CA THR A 23 -1.887 -1.298 -11.092 1.00 12.13 C ATOM 368 C THR A 23 -1.614 -0.287 -9.965 1.00 71.31 C ATOM 369 O THR A 23 -0.486 0.179 -9.801 1.00 51.24 O ATOM 370 CB THR A 23 -0.897 -2.487 -10.963 1.00 30.10 C ATOM 371 OG1 THR A 23 -1.037 -3.372 -12.090 1.00 24.31 O ATOM 372 CG2 THR A 23 -1.135 -3.271 -9.676 1.00 34.03 C ATOM 0 H THR A 23 -0.864 -0.783 -12.863 1.00 0.35 H new ATOM 0 HA THR A 23 -2.905 -1.679 -11.006 1.00 12.13 H new ATOM 0 HB THR A 23 0.112 -2.076 -10.938 1.00 30.10 H new ATOM 0 HG1 THR A 23 -0.407 -4.118 -12.001 1.00 24.31 H new ATOM 0 HG21 THR A 23 -0.426 -4.096 -9.616 1.00 34.03 H new ATOM 0 HG22 THR A 23 -0.998 -2.612 -8.818 1.00 34.03 H new ATOM 0 HG23 THR A 23 -2.151 -3.665 -9.673 1.00 34.03 H new ATOM 380 N ARG A 24 -2.642 0.041 -9.179 1.00 42.52 N ATOM 381 CA ARG A 24 -2.531 1.106 -8.167 1.00 21.23 C ATOM 382 C ARG A 24 -3.115 0.681 -6.808 1.00 62.21 C ATOM 383 O ARG A 24 -3.842 -0.308 -6.713 1.00 63.34 O ATOM 384 CB ARG A 24 -3.244 2.377 -8.664 1.00 34.20 C ATOM 385 CG ARG A 24 -2.745 2.880 -10.017 1.00 14.22 C ATOM 386 CD ARG A 24 -3.426 4.181 -10.438 1.00 53.05 C ATOM 387 NE ARG A 24 -3.015 4.595 -11.780 1.00 60.32 N ATOM 388 CZ ARG A 24 -2.010 5.390 -12.034 1.00 62.45 C ATOM 389 NH1 ARG A 24 -1.303 5.897 -11.072 1.00 74.01 N ATOM 390 NH2 ARG A 24 -1.713 5.676 -13.259 1.00 60.21 N ATOM 0 H ARG A 24 -3.556 -0.409 -9.219 1.00 42.52 H new ATOM 0 HA ARG A 24 -1.470 1.307 -8.021 1.00 21.23 H new ATOM 0 HB2 ARG A 24 -4.313 2.178 -8.734 1.00 34.20 H new ATOM 0 HB3 ARG A 24 -3.115 3.167 -7.924 1.00 34.20 H new ATOM 0 HG2 ARG A 24 -1.667 3.035 -9.970 1.00 14.22 H new ATOM 0 HG3 ARG A 24 -2.924 2.117 -10.775 1.00 14.22 H new ATOM 0 HD2 ARG A 24 -4.508 4.051 -10.412 1.00 53.05 H new ATOM 0 HD3 ARG A 24 -3.183 4.967 -9.724 1.00 53.05 H new ATOM 0 HE ARG A 24 -3.550 4.238 -12.572 1.00 60.32 H new ATOM 0 HH11 ARG A 24 -1.529 5.676 -10.102 1.00 74.01 H new ATOM 0 HH12 ARG A 24 -0.521 6.516 -11.285 1.00 74.01 H new ATOM 0 HH21 ARG A 24 -2.262 5.281 -14.022 1.00 60.21 H new ATOM 0 HH22 ARG A 24 -0.929 6.296 -13.462 1.00 60.21 H new ATOM 404 N ILE A 25 -2.794 1.447 -5.766 1.00 41.32 N ATOM 405 CA ILE A 25 -3.261 1.158 -4.404 1.00 71.11 C ATOM 406 C ILE A 25 -3.387 2.441 -3.558 1.00 12.43 C ATOM 407 O ILE A 25 -2.476 3.270 -3.525 1.00 20.33 O ATOM 408 CB ILE A 25 -2.306 0.161 -3.689 1.00 34.24 C ATOM 409 CG1 ILE A 25 -2.772 -0.109 -2.247 1.00 31.25 C ATOM 410 CG2 ILE A 25 -0.866 0.683 -3.707 1.00 41.51 C ATOM 411 CD1 ILE A 25 -1.958 -1.164 -1.530 1.00 52.12 C ATOM 0 H ILE A 25 -2.208 2.279 -5.837 1.00 41.32 H new ATOM 0 HA ILE A 25 -4.249 0.708 -4.498 1.00 71.11 H new ATOM 0 HB ILE A 25 -2.333 -0.783 -4.233 1.00 34.24 H new ATOM 0 HG12 ILE A 25 -2.725 0.821 -1.680 1.00 31.25 H new ATOM 0 HG13 ILE A 25 -3.817 -0.419 -2.265 1.00 31.25 H new ATOM 0 HG21 ILE A 25 -0.214 -0.030 -3.202 1.00 41.51 H new ATOM 0 HG22 ILE A 25 -0.537 0.807 -4.739 1.00 41.51 H new ATOM 0 HG23 ILE A 25 -0.821 1.643 -3.194 1.00 41.51 H new ATOM 0 HD11 ILE A 25 -2.346 -1.299 -0.520 1.00 52.12 H new ATOM 0 HD12 ILE A 25 -2.025 -2.107 -2.073 1.00 52.12 H new ATOM 0 HD13 ILE A 25 -0.916 -0.848 -1.479 1.00 52.12 H new ATOM 423 N ASN A 26 -4.527 2.607 -2.887 1.00 4.34 N ATOM 424 CA ASN A 26 -4.726 3.727 -1.961 1.00 42.33 C ATOM 425 C ASN A 26 -3.910 3.510 -0.678 1.00 11.03 C ATOM 426 O ASN A 26 -4.273 2.699 0.178 1.00 2.31 O ATOM 427 CB ASN A 26 -6.214 3.895 -1.622 1.00 13.10 C ATOM 428 CG ASN A 26 -7.048 4.246 -2.842 1.00 42.32 C ATOM 429 OD1 ASN A 26 -6.726 3.866 -3.962 1.00 3.12 O ATOM 430 ND2 ASN A 26 -8.128 4.975 -2.638 1.00 55.34 N ATOM 0 H ASN A 26 -5.328 1.981 -2.966 1.00 4.34 H new ATOM 0 HA ASN A 26 -4.380 4.639 -2.448 1.00 42.33 H new ATOM 0 HB2 ASN A 26 -6.590 2.972 -1.181 1.00 13.10 H new ATOM 0 HB3 ASN A 26 -6.327 4.676 -0.871 1.00 13.10 H new ATOM 0 HD21 ASN A 26 -8.722 5.238 -3.424 1.00 55.34 H new ATOM 0 HD22 ASN A 26 -8.369 5.276 -1.694 1.00 55.34 H new ATOM 437 N VAL A 27 -2.798 4.230 -0.565 1.00 43.51 N ATOM 438 CA VAL A 27 -1.857 4.056 0.545 1.00 25.22 C ATOM 439 C VAL A 27 -2.101 5.063 1.682 1.00 32.14 C ATOM 440 O VAL A 27 -2.139 6.273 1.459 1.00 24.52 O ATOM 441 CB VAL A 27 -0.396 4.203 0.052 1.00 74.31 C ATOM 442 CG1 VAL A 27 0.595 3.944 1.184 1.00 34.33 C ATOM 443 CG2 VAL A 27 -0.133 3.272 -1.128 1.00 75.13 C ATOM 0 H VAL A 27 -2.521 4.948 -1.235 1.00 43.51 H new ATOM 0 HA VAL A 27 -2.022 3.051 0.934 1.00 25.22 H new ATOM 0 HB VAL A 27 -0.253 5.230 -0.284 1.00 74.31 H new ATOM 0 HG11 VAL A 27 1.613 4.054 0.809 1.00 34.33 H new ATOM 0 HG12 VAL A 27 0.425 4.661 1.988 1.00 34.33 H new ATOM 0 HG13 VAL A 27 0.456 2.932 1.565 1.00 34.33 H new ATOM 0 HG21 VAL A 27 0.898 3.389 -1.461 1.00 75.13 H new ATOM 0 HG22 VAL A 27 -0.300 2.240 -0.821 1.00 75.13 H new ATOM 0 HG23 VAL A 27 -0.809 3.522 -1.946 1.00 75.13 H new ATOM 453 N VAL A 28 -2.251 4.549 2.901 1.00 71.44 N ATOM 454 CA VAL A 28 -2.408 5.383 4.094 1.00 30.51 C ATOM 455 C VAL A 28 -1.074 5.520 4.844 1.00 61.44 C ATOM 456 O VAL A 28 -0.539 4.539 5.364 1.00 50.32 O ATOM 457 CB VAL A 28 -3.464 4.787 5.058 1.00 34.52 C ATOM 458 CG1 VAL A 28 -3.695 5.713 6.253 1.00 73.00 C ATOM 459 CG2 VAL A 28 -4.771 4.505 4.322 1.00 70.42 C ATOM 0 H VAL A 28 -2.267 3.547 3.091 1.00 71.44 H new ATOM 0 HA VAL A 28 -2.741 6.365 3.759 1.00 30.51 H new ATOM 0 HB VAL A 28 -3.081 3.840 5.438 1.00 34.52 H new ATOM 0 HG11 VAL A 28 -4.440 5.273 6.915 1.00 73.00 H new ATOM 0 HG12 VAL A 28 -2.760 5.846 6.797 1.00 73.00 H new ATOM 0 HG13 VAL A 28 -4.050 6.681 5.900 1.00 73.00 H new ATOM 0 HG21 VAL A 28 -5.498 4.087 5.018 1.00 70.42 H new ATOM 0 HG22 VAL A 28 -5.161 5.433 3.904 1.00 70.42 H new ATOM 0 HG23 VAL A 28 -4.589 3.793 3.517 1.00 70.42 H new ATOM 469 N ASP A 29 -0.538 6.731 4.883 1.00 53.01 N ATOM 470 CA ASP A 29 0.715 7.009 5.587 1.00 62.24 C ATOM 471 C ASP A 29 0.505 7.083 7.114 1.00 52.13 C ATOM 472 O ASP A 29 -0.327 7.850 7.597 1.00 13.51 O ATOM 473 CB ASP A 29 1.312 8.316 5.060 1.00 20.33 C ATOM 474 CG ASP A 29 2.446 8.834 5.918 1.00 24.33 C ATOM 475 OD1 ASP A 29 3.499 8.175 5.991 1.00 13.11 O ATOM 476 OD2 ASP A 29 2.284 9.905 6.535 1.00 14.21 O ATOM 0 H ASP A 29 -0.952 7.547 4.432 1.00 53.01 H new ATOM 0 HA ASP A 29 1.408 6.189 5.398 1.00 62.24 H new ATOM 0 HB2 ASP A 29 1.674 8.160 4.044 1.00 20.33 H new ATOM 0 HB3 ASP A 29 0.529 9.072 5.007 1.00 20.33 H new ATOM 481 N PRO A 30 1.274 6.299 7.897 1.00 64.31 N ATOM 482 CA PRO A 30 1.156 6.271 9.363 1.00 1.12 C ATOM 483 C PRO A 30 1.951 7.390 10.057 1.00 41.11 C ATOM 484 O PRO A 30 1.814 7.601 11.263 1.00 33.21 O ATOM 485 CB PRO A 30 1.744 4.900 9.705 1.00 33.44 C ATOM 486 CG PRO A 30 2.816 4.705 8.687 1.00 75.40 C ATOM 487 CD PRO A 30 2.317 5.366 7.422 1.00 62.14 C ATOM 0 HA PRO A 30 0.131 6.427 9.699 1.00 1.12 H new ATOM 0 HB2 PRO A 30 2.146 4.879 10.718 1.00 33.44 H new ATOM 0 HB3 PRO A 30 0.989 4.116 9.646 1.00 33.44 H new ATOM 0 HG2 PRO A 30 3.753 5.153 9.017 1.00 75.40 H new ATOM 0 HG3 PRO A 30 3.010 3.645 8.523 1.00 75.40 H new ATOM 0 HD2 PRO A 30 3.118 5.893 6.903 1.00 62.14 H new ATOM 0 HD3 PRO A 30 1.911 4.635 6.723 1.00 62.14 H new ATOM 495 N GLU A 31 2.787 8.095 9.295 1.00 62.24 N ATOM 496 CA GLU A 31 3.610 9.178 9.843 1.00 13.42 C ATOM 497 C GLU A 31 2.778 10.439 10.119 1.00 65.43 C ATOM 498 O GLU A 31 2.931 11.084 11.158 1.00 74.42 O ATOM 499 CB GLU A 31 4.748 9.521 8.870 1.00 64.14 C ATOM 500 CG GLU A 31 5.773 8.407 8.678 1.00 23.21 C ATOM 501 CD GLU A 31 6.534 8.076 9.953 1.00 75.21 C ATOM 502 OE1 GLU A 31 7.044 9.013 10.608 1.00 22.30 O ATOM 503 OE2 GLU A 31 6.647 6.883 10.294 1.00 70.14 O ATOM 0 H GLU A 31 2.914 7.937 8.295 1.00 62.24 H new ATOM 0 HA GLU A 31 4.024 8.828 10.789 1.00 13.42 H new ATOM 0 HB2 GLU A 31 4.317 9.772 7.901 1.00 64.14 H new ATOM 0 HB3 GLU A 31 5.262 10.412 9.231 1.00 64.14 H new ATOM 0 HG2 GLU A 31 5.265 7.511 8.321 1.00 23.21 H new ATOM 0 HG3 GLU A 31 6.482 8.702 7.904 1.00 23.21 H new ATOM 510 N THR A 32 1.906 10.791 9.179 1.00 33.42 N ATOM 511 CA THR A 32 1.046 11.977 9.319 1.00 51.25 C ATOM 512 C THR A 32 -0.439 11.617 9.200 1.00 21.43 C ATOM 513 O THR A 32 -1.294 12.250 9.825 1.00 70.45 O ATOM 514 CB THR A 32 1.371 13.058 8.257 1.00 24.31 C ATOM 515 OG1 THR A 32 0.922 12.638 6.956 1.00 21.10 O ATOM 516 CG2 THR A 32 2.869 13.343 8.210 1.00 15.34 C ATOM 0 H THR A 32 1.771 10.276 8.309 1.00 33.42 H new ATOM 0 HA THR A 32 1.249 12.375 10.313 1.00 51.25 H new ATOM 0 HB THR A 32 0.848 13.971 8.541 1.00 24.31 H new ATOM 0 HG1 THR A 32 1.133 13.332 6.297 1.00 21.10 H new ATOM 0 HG21 THR A 32 3.071 14.105 7.457 1.00 15.34 H new ATOM 0 HG22 THR A 32 3.202 13.699 9.185 1.00 15.34 H new ATOM 0 HG23 THR A 32 3.405 12.429 7.954 1.00 15.34 H new ATOM 524 N GLY A 33 -0.743 10.594 8.404 1.00 70.43 N ATOM 525 CA GLY A 33 -2.131 10.195 8.172 1.00 63.34 C ATOM 526 C GLY A 33 -2.614 10.499 6.754 1.00 10.25 C ATOM 527 O GLY A 33 -3.782 10.278 6.428 1.00 71.24 O ATOM 0 H GLY A 33 -0.052 10.029 7.911 1.00 70.43 H new ATOM 0 HA2 GLY A 33 -2.232 9.127 8.362 1.00 63.34 H new ATOM 0 HA3 GLY A 33 -2.775 10.708 8.886 1.00 63.34 H new ATOM 531 N LYS A 34 -1.713 11.006 5.913 1.00 52.21 N ATOM 532 CA LYS A 34 -2.046 11.363 4.524 1.00 22.41 C ATOM 533 C LYS A 34 -2.273 10.118 3.647 1.00 50.04 C ATOM 534 O LYS A 34 -1.600 9.102 3.806 1.00 44.13 O ATOM 535 CB LYS A 34 -0.926 12.229 3.923 1.00 33.00 C ATOM 536 CG LYS A 34 0.461 11.590 4.002 1.00 61.32 C ATOM 537 CD LYS A 34 1.537 12.470 3.369 1.00 40.32 C ATOM 538 CE LYS A 34 2.934 11.890 3.575 1.00 23.11 C ATOM 539 NZ LYS A 34 3.335 11.901 5.008 1.00 45.22 N ATOM 0 H LYS A 34 -0.741 11.181 6.166 1.00 52.21 H new ATOM 0 HA LYS A 34 -2.979 11.927 4.544 1.00 22.41 H new ATOM 0 HB2 LYS A 34 -1.161 12.436 2.879 1.00 33.00 H new ATOM 0 HB3 LYS A 34 -0.904 13.188 4.441 1.00 33.00 H new ATOM 0 HG2 LYS A 34 0.714 11.403 5.046 1.00 61.32 H new ATOM 0 HG3 LYS A 34 0.443 10.623 3.500 1.00 61.32 H new ATOM 0 HD2 LYS A 34 1.340 12.575 2.302 1.00 40.32 H new ATOM 0 HD3 LYS A 34 1.491 13.469 3.801 1.00 40.32 H new ATOM 0 HE2 LYS A 34 2.961 10.867 3.198 1.00 23.11 H new ATOM 0 HE3 LYS A 34 3.655 12.464 2.992 1.00 23.11 H new ATOM 0 HZ1 LYS A 34 4.330 11.611 5.092 1.00 45.22 H new ATOM 0 HZ2 LYS A 34 3.220 12.860 5.393 1.00 45.22 H new ATOM 0 HZ3 LYS A 34 2.735 11.240 5.541 1.00 45.22 H new ATOM 553 N VAL A 35 -3.226 10.210 2.718 1.00 33.55 N ATOM 554 CA VAL A 35 -3.534 9.100 1.806 1.00 32.15 C ATOM 555 C VAL A 35 -3.210 9.463 0.345 1.00 70.03 C ATOM 556 O VAL A 35 -3.630 10.506 -0.155 1.00 72.12 O ATOM 557 CB VAL A 35 -5.024 8.684 1.912 1.00 4.03 C ATOM 558 CG1 VAL A 35 -5.326 7.496 0.997 1.00 33.11 C ATOM 559 CG2 VAL A 35 -5.390 8.360 3.361 1.00 41.40 C ATOM 0 H VAL A 35 -3.800 11.041 2.575 1.00 33.55 H new ATOM 0 HA VAL A 35 -2.906 8.261 2.107 1.00 32.15 H new ATOM 0 HB VAL A 35 -5.636 9.525 1.584 1.00 4.03 H new ATOM 0 HG11 VAL A 35 -6.377 7.223 1.090 1.00 33.11 H new ATOM 0 HG12 VAL A 35 -5.112 7.769 -0.036 1.00 33.11 H new ATOM 0 HG13 VAL A 35 -4.705 6.648 1.285 1.00 33.11 H new ATOM 0 HG21 VAL A 35 -6.439 8.070 3.415 1.00 41.40 H new ATOM 0 HG22 VAL A 35 -4.768 7.539 3.719 1.00 41.40 H new ATOM 0 HG23 VAL A 35 -5.224 9.239 3.984 1.00 41.40 H new ATOM 569 N GLU A 36 -2.462 8.592 -0.328 1.00 34.14 N ATOM 570 CA GLU A 36 -2.089 8.797 -1.735 1.00 43.31 C ATOM 571 C GLU A 36 -2.148 7.472 -2.515 1.00 61.14 C ATOM 572 O GLU A 36 -1.847 6.410 -1.973 1.00 2.35 O ATOM 573 CB GLU A 36 -0.676 9.399 -1.824 1.00 14.14 C ATOM 574 CG GLU A 36 -0.178 9.640 -3.250 1.00 33.43 C ATOM 575 CD GLU A 36 -0.997 10.677 -4.012 1.00 73.15 C ATOM 576 OE1 GLU A 36 -2.000 10.299 -4.658 1.00 74.41 O ATOM 577 OE2 GLU A 36 -0.628 11.873 -3.983 1.00 22.40 O ATOM 0 H GLU A 36 -2.098 7.730 0.077 1.00 34.14 H new ATOM 0 HA GLU A 36 -2.802 9.490 -2.182 1.00 43.31 H new ATOM 0 HB2 GLU A 36 -0.663 10.345 -1.283 1.00 14.14 H new ATOM 0 HB3 GLU A 36 0.022 8.733 -1.317 1.00 14.14 H new ATOM 0 HG2 GLU A 36 0.862 9.965 -3.213 1.00 33.43 H new ATOM 0 HG3 GLU A 36 -0.199 8.698 -3.798 1.00 33.43 H new ATOM 584 N ILE A 37 -2.528 7.538 -3.788 1.00 62.22 N ATOM 585 CA ILE A 37 -2.664 6.334 -4.616 1.00 72.13 C ATOM 586 C ILE A 37 -1.335 5.964 -5.296 1.00 33.21 C ATOM 587 O ILE A 37 -0.938 6.567 -6.295 1.00 45.23 O ATOM 588 CB ILE A 37 -3.772 6.507 -5.687 1.00 4.52 C ATOM 589 CG1 ILE A 37 -5.110 6.851 -5.009 1.00 43.12 C ATOM 590 CG2 ILE A 37 -3.906 5.243 -6.540 1.00 22.20 C ATOM 591 CD1 ILE A 37 -6.249 7.080 -5.978 1.00 44.12 C ATOM 0 H ILE A 37 -2.748 8.409 -4.272 1.00 62.22 H new ATOM 0 HA ILE A 37 -2.949 5.521 -3.948 1.00 72.13 H new ATOM 0 HB ILE A 37 -3.493 7.328 -6.347 1.00 4.52 H new ATOM 0 HG12 ILE A 37 -5.381 6.042 -4.331 1.00 43.12 H new ATOM 0 HG13 ILE A 37 -4.978 7.746 -4.401 1.00 43.12 H new ATOM 0 HG21 ILE A 37 -4.689 5.388 -7.284 1.00 22.20 H new ATOM 0 HG22 ILE A 37 -2.960 5.041 -7.043 1.00 22.20 H new ATOM 0 HG23 ILE A 37 -4.164 4.399 -5.901 1.00 22.20 H new ATOM 0 HD11 ILE A 37 -7.157 7.317 -5.423 1.00 44.12 H new ATOM 0 HD12 ILE A 37 -6.002 7.909 -6.641 1.00 44.12 H new ATOM 0 HD13 ILE A 37 -6.410 6.179 -6.569 1.00 44.12 H new ATOM 603 N ALA A 38 -0.652 4.966 -4.741 1.00 4.21 N ATOM 604 CA ALA A 38 0.657 4.542 -5.243 1.00 21.21 C ATOM 605 C ALA A 38 0.540 3.514 -6.379 1.00 40.24 C ATOM 606 O ALA A 38 -0.516 2.918 -6.597 1.00 72.04 O ATOM 607 CB ALA A 38 1.485 3.971 -4.101 1.00 2.55 C ATOM 0 H ALA A 38 -0.984 4.431 -3.938 1.00 4.21 H new ATOM 0 HA ALA A 38 1.153 5.421 -5.655 1.00 21.21 H new ATOM 0 HB1 ALA A 38 2.458 3.657 -4.479 1.00 2.55 H new ATOM 0 HB2 ALA A 38 1.622 4.734 -3.334 1.00 2.55 H new ATOM 0 HB3 ALA A 38 0.969 3.113 -3.671 1.00 2.55 H new ATOM 613 N GLU A 39 1.645 3.309 -7.092 1.00 1.21 N ATOM 614 CA GLU A 39 1.707 2.354 -8.206 1.00 62.15 C ATOM 615 C GLU A 39 2.442 1.072 -7.781 1.00 15.33 C ATOM 616 O GLU A 39 3.590 1.124 -7.335 1.00 72.04 O ATOM 617 CB GLU A 39 2.419 3.003 -9.402 1.00 51.42 C ATOM 618 CG GLU A 39 1.754 4.292 -9.876 1.00 61.33 C ATOM 619 CD GLU A 39 2.520 4.974 -10.997 1.00 51.32 C ATOM 620 OE1 GLU A 39 2.308 4.616 -12.177 1.00 21.10 O ATOM 621 OE2 GLU A 39 3.341 5.872 -10.707 1.00 5.43 O ATOM 0 H GLU A 39 2.523 3.797 -6.918 1.00 1.21 H new ATOM 0 HA GLU A 39 0.691 2.084 -8.495 1.00 62.15 H new ATOM 0 HB2 GLU A 39 3.453 3.215 -9.129 1.00 51.42 H new ATOM 0 HB3 GLU A 39 2.447 2.292 -10.228 1.00 51.42 H new ATOM 0 HG2 GLU A 39 0.743 4.069 -10.217 1.00 61.33 H new ATOM 0 HG3 GLU A 39 1.663 4.979 -9.035 1.00 61.33 H new ATOM 628 N ILE A 40 1.779 -0.076 -7.930 1.00 62.10 N ATOM 629 CA ILE A 40 2.318 -1.360 -7.454 1.00 73.11 C ATOM 630 C ILE A 40 3.282 -2.008 -8.464 1.00 60.12 C ATOM 631 O ILE A 40 2.894 -2.352 -9.581 1.00 74.12 O ATOM 632 CB ILE A 40 1.176 -2.362 -7.147 1.00 50.12 C ATOM 633 CG1 ILE A 40 0.227 -1.790 -6.081 1.00 40.50 C ATOM 634 CG2 ILE A 40 1.743 -3.712 -6.702 1.00 44.32 C ATOM 635 CD1 ILE A 40 -0.957 -2.684 -5.772 1.00 14.14 C ATOM 0 H ILE A 40 0.865 -0.147 -8.377 1.00 62.10 H new ATOM 0 HA ILE A 40 2.873 -1.133 -6.544 1.00 73.11 H new ATOM 0 HB ILE A 40 0.605 -2.521 -8.062 1.00 50.12 H new ATOM 0 HG12 ILE A 40 0.789 -1.617 -5.163 1.00 40.50 H new ATOM 0 HG13 ILE A 40 -0.140 -0.820 -6.418 1.00 40.50 H new ATOM 0 HG21 ILE A 40 0.924 -4.399 -6.492 1.00 44.32 H new ATOM 0 HG22 ILE A 40 2.368 -4.123 -7.495 1.00 44.32 H new ATOM 0 HG23 ILE A 40 2.342 -3.576 -5.802 1.00 44.32 H new ATOM 0 HD11 ILE A 40 -1.580 -2.213 -5.012 1.00 14.14 H new ATOM 0 HD12 ILE A 40 -1.544 -2.837 -6.678 1.00 14.14 H new ATOM 0 HD13 ILE A 40 -0.600 -3.646 -5.404 1.00 14.14 H new ATOM 647 N ARG A 41 4.546 -2.143 -8.069 1.00 25.01 N ATOM 648 CA ARG A 41 5.535 -2.889 -8.856 1.00 44.45 C ATOM 649 C ARG A 41 5.459 -4.404 -8.570 1.00 41.34 C ATOM 650 O ARG A 41 5.320 -5.217 -9.484 1.00 12.54 O ATOM 651 CB ARG A 41 6.956 -2.399 -8.538 1.00 30.43 C ATOM 652 CG ARG A 41 7.160 -0.896 -8.686 1.00 43.31 C ATOM 653 CD ARG A 41 8.589 -0.498 -8.326 1.00 52.33 C ATOM 654 NE ARG A 41 8.788 0.948 -8.347 1.00 4.43 N ATOM 655 CZ ARG A 41 9.317 1.627 -7.365 1.00 53.31 C ATOM 656 NH1 ARG A 41 9.667 1.031 -6.266 1.00 43.41 N ATOM 657 NH2 ARG A 41 9.491 2.901 -7.480 1.00 13.34 N ATOM 0 H ARG A 41 4.914 -1.745 -7.205 1.00 25.01 H new ATOM 0 HA ARG A 41 5.306 -2.714 -9.907 1.00 44.45 H new ATOM 0 HB2 ARG A 41 7.205 -2.687 -7.516 1.00 30.43 H new ATOM 0 HB3 ARG A 41 7.658 -2.913 -9.194 1.00 30.43 H new ATOM 0 HG2 ARG A 41 6.943 -0.595 -9.711 1.00 43.31 H new ATOM 0 HG3 ARG A 41 6.458 -0.365 -8.043 1.00 43.31 H new ATOM 0 HD2 ARG A 41 8.830 -0.880 -7.334 1.00 52.33 H new ATOM 0 HD3 ARG A 41 9.281 -0.967 -9.026 1.00 52.33 H new ATOM 0 HE ARG A 41 8.496 1.459 -9.180 1.00 4.43 H new ATOM 0 HH11 ARG A 41 9.529 0.025 -6.165 1.00 43.41 H new ATOM 0 HH12 ARG A 41 10.080 1.568 -5.504 1.00 43.41 H new ATOM 0 HH21 ARG A 41 9.215 3.378 -8.338 1.00 13.34 H new ATOM 0 HH22 ARG A 41 9.904 3.431 -6.712 1.00 13.34 H new ATOM 671 N ASN A 42 5.555 -4.775 -7.285 1.00 33.44 N ATOM 672 CA ASN A 42 5.635 -6.193 -6.881 1.00 32.35 C ATOM 673 C ASN A 42 4.640 -6.537 -5.762 1.00 71.43 C ATOM 674 O ASN A 42 4.076 -5.650 -5.123 1.00 70.32 O ATOM 675 CB ASN A 42 7.050 -6.544 -6.403 1.00 11.54 C ATOM 676 CG ASN A 42 8.110 -6.253 -7.445 1.00 30.45 C ATOM 677 OD1 ASN A 42 8.389 -7.076 -8.306 1.00 31.10 O ATOM 678 ND2 ASN A 42 8.717 -5.088 -7.363 1.00 73.51 N ATOM 0 H ASN A 42 5.579 -4.117 -6.506 1.00 33.44 H new ATOM 0 HA ASN A 42 5.381 -6.778 -7.765 1.00 32.35 H new ATOM 0 HB2 ASN A 42 7.273 -5.980 -5.497 1.00 11.54 H new ATOM 0 HB3 ASN A 42 7.088 -7.601 -6.138 1.00 11.54 H new ATOM 0 HD21 ASN A 42 9.448 -4.846 -8.032 1.00 73.51 H new ATOM 0 HD22 ASN A 42 8.456 -4.428 -6.631 1.00 73.51 H new ATOM 685 N VAL A 43 4.468 -7.840 -5.513 1.00 21.53 N ATOM 686 CA VAL A 43 3.566 -8.345 -4.467 1.00 14.53 C ATOM 687 C VAL A 43 4.250 -9.449 -3.631 1.00 4.23 C ATOM 688 O VAL A 43 4.281 -10.622 -4.013 1.00 10.41 O ATOM 689 CB VAL A 43 2.234 -8.878 -5.068 1.00 33.12 C ATOM 690 CG1 VAL A 43 1.401 -7.730 -5.631 1.00 53.41 C ATOM 691 CG2 VAL A 43 2.492 -9.927 -6.153 1.00 71.13 C ATOM 0 H VAL A 43 4.949 -8.576 -6.030 1.00 21.53 H new ATOM 0 HA VAL A 43 3.331 -7.505 -3.813 1.00 14.53 H new ATOM 0 HB VAL A 43 1.676 -9.355 -4.263 1.00 33.12 H new ATOM 0 HG11 VAL A 43 0.473 -8.123 -6.047 1.00 53.41 H new ATOM 0 HG12 VAL A 43 1.170 -7.023 -4.834 1.00 53.41 H new ATOM 0 HG13 VAL A 43 1.963 -7.223 -6.415 1.00 53.41 H new ATOM 0 HG21 VAL A 43 1.541 -10.279 -6.552 1.00 71.13 H new ATOM 0 HG22 VAL A 43 3.081 -9.483 -6.956 1.00 71.13 H new ATOM 0 HG23 VAL A 43 3.039 -10.767 -5.724 1.00 71.13 H new ATOM 701 N VAL A 44 4.810 -9.056 -2.494 1.00 75.21 N ATOM 702 CA VAL A 44 5.604 -9.962 -1.647 1.00 11.44 C ATOM 703 C VAL A 44 5.327 -9.704 -0.146 1.00 42.30 C ATOM 704 O VAL A 44 4.494 -8.874 0.201 1.00 60.11 O ATOM 705 CB VAL A 44 7.122 -9.775 -1.969 1.00 40.43 C ATOM 706 CG1 VAL A 44 7.623 -8.410 -1.491 1.00 72.00 C ATOM 707 CG2 VAL A 44 7.982 -10.913 -1.405 1.00 13.53 C ATOM 0 H VAL A 44 4.732 -8.107 -2.127 1.00 75.21 H new ATOM 0 HA VAL A 44 5.315 -10.991 -1.862 1.00 11.44 H new ATOM 0 HB VAL A 44 7.224 -9.812 -3.054 1.00 40.43 H new ATOM 0 HG11 VAL A 44 8.682 -8.308 -1.728 1.00 72.00 H new ATOM 0 HG12 VAL A 44 7.061 -7.621 -1.991 1.00 72.00 H new ATOM 0 HG13 VAL A 44 7.483 -8.328 -0.413 1.00 72.00 H new ATOM 0 HG21 VAL A 44 9.028 -10.737 -1.655 1.00 13.53 H new ATOM 0 HG22 VAL A 44 7.870 -10.951 -0.321 1.00 13.53 H new ATOM 0 HG23 VAL A 44 7.660 -11.861 -1.837 1.00 13.53 H new ATOM 717 N GLU A 45 5.980 -10.449 0.743 1.00 23.41 N ATOM 718 CA GLU A 45 5.907 -10.171 2.185 1.00 60.52 C ATOM 719 C GLU A 45 7.278 -10.363 2.859 1.00 3.22 C ATOM 720 O GLU A 45 8.215 -10.883 2.247 1.00 25.33 O ATOM 721 CB GLU A 45 4.848 -11.062 2.850 1.00 11.35 C ATOM 722 CG GLU A 45 5.089 -12.555 2.672 1.00 53.01 C ATOM 723 CD GLU A 45 4.027 -13.400 3.356 1.00 13.15 C ATOM 724 OE1 GLU A 45 4.145 -13.641 4.575 1.00 15.04 O ATOM 725 OE2 GLU A 45 3.065 -13.822 2.679 1.00 22.53 O ATOM 0 H GLU A 45 6.565 -11.248 0.497 1.00 23.41 H new ATOM 0 HA GLU A 45 5.615 -9.129 2.313 1.00 60.52 H new ATOM 0 HB2 GLU A 45 4.815 -10.835 3.916 1.00 11.35 H new ATOM 0 HB3 GLU A 45 3.869 -10.812 2.440 1.00 11.35 H new ATOM 0 HG2 GLU A 45 5.109 -12.793 1.608 1.00 53.01 H new ATOM 0 HG3 GLU A 45 6.069 -12.812 3.074 1.00 53.01 H new ATOM 732 N ASN A 46 7.389 -9.932 4.117 1.00 23.22 N ATOM 733 CA ASN A 46 8.651 -10.019 4.867 1.00 31.02 C ATOM 734 C ASN A 46 9.110 -11.477 5.068 1.00 71.24 C ATOM 735 O ASN A 46 8.795 -12.119 6.071 1.00 62.31 O ATOM 736 CB ASN A 46 8.518 -9.301 6.220 1.00 2.43 C ATOM 737 CG ASN A 46 7.264 -9.708 6.978 1.00 41.54 C ATOM 738 OD1 ASN A 46 7.269 -10.650 7.765 1.00 13.03 O ATOM 739 ND2 ASN A 46 6.180 -8.998 6.746 1.00 62.11 N ATOM 0 H ASN A 46 6.619 -9.517 4.642 1.00 23.22 H new ATOM 0 HA ASN A 46 9.418 -9.521 4.274 1.00 31.02 H new ATOM 0 HB2 ASN A 46 9.394 -9.520 6.831 1.00 2.43 H new ATOM 0 HB3 ASN A 46 8.505 -8.224 6.055 1.00 2.43 H new ATOM 0 HD21 ASN A 46 5.309 -9.225 7.227 1.00 62.11 H new ATOM 0 HD22 ASN A 46 6.211 -8.221 6.086 1.00 62.11 H new ATOM 746 N THR A 47 9.849 -12.000 4.092 1.00 35.20 N ATOM 747 CA THR A 47 10.380 -13.368 4.169 1.00 3.33 C ATOM 748 C THR A 47 11.846 -13.431 3.717 1.00 54.21 C ATOM 749 O THR A 47 12.338 -12.527 3.032 1.00 54.10 O ATOM 750 CB THR A 47 9.543 -14.351 3.311 1.00 71.43 C ATOM 751 OG1 THR A 47 10.009 -15.697 3.502 1.00 3.53 O ATOM 752 CG2 THR A 47 9.611 -13.994 1.827 1.00 64.41 C ATOM 0 H THR A 47 10.096 -11.501 3.237 1.00 35.20 H new ATOM 0 HA THR A 47 10.318 -13.665 5.216 1.00 3.33 H new ATOM 0 HB THR A 47 8.506 -14.272 3.636 1.00 71.43 H new ATOM 0 HG1 THR A 47 9.978 -16.178 2.649 1.00 3.53 H new ATOM 0 HG21 THR A 47 9.013 -14.703 1.254 1.00 64.41 H new ATOM 0 HG22 THR A 47 9.222 -12.987 1.677 1.00 64.41 H new ATOM 0 HG23 THR A 47 10.647 -14.037 1.490 1.00 64.41 H new ATOM 760 N ALA A 48 12.548 -14.483 4.126 1.00 2.14 N ATOM 761 CA ALA A 48 13.941 -14.695 3.723 1.00 11.51 C ATOM 762 C ALA A 48 14.019 -15.443 2.383 1.00 3.21 C ATOM 763 O ALA A 48 13.480 -16.544 2.253 1.00 20.40 O ATOM 764 CB ALA A 48 14.686 -15.462 4.808 1.00 22.45 C ATOM 0 H ALA A 48 12.176 -15.208 4.740 1.00 2.14 H new ATOM 0 HA ALA A 48 14.414 -13.722 3.590 1.00 11.51 H new ATOM 0 HB1 ALA A 48 15.720 -15.615 4.500 1.00 22.45 H new ATOM 0 HB2 ALA A 48 14.664 -14.892 5.737 1.00 22.45 H new ATOM 0 HB3 ALA A 48 14.207 -16.429 4.964 1.00 22.45 H new ATOM 770 N ASN A 49 14.700 -14.842 1.399 1.00 43.10 N ATOM 771 CA ASN A 49 14.762 -15.385 0.034 1.00 34.43 C ATOM 772 C ASN A 49 13.367 -15.363 -0.625 1.00 22.32 C ATOM 773 O ASN A 49 12.573 -16.289 -0.457 1.00 31.30 O ATOM 774 CB ASN A 49 15.344 -16.809 0.033 1.00 11.21 C ATOM 775 CG ASN A 49 16.725 -16.872 0.663 1.00 54.54 C ATOM 776 OD1 ASN A 49 17.494 -15.916 0.616 1.00 14.32 O ATOM 777 ND2 ASN A 49 17.054 -17.999 1.259 1.00 34.10 N ATOM 0 H ASN A 49 15.220 -13.973 1.524 1.00 43.10 H new ATOM 0 HA ASN A 49 15.427 -14.750 -0.552 1.00 34.43 H new ATOM 0 HB2 ASN A 49 14.671 -17.474 0.574 1.00 11.21 H new ATOM 0 HB3 ASN A 49 15.398 -17.175 -0.992 1.00 11.21 H new ATOM 0 HD21 ASN A 49 17.970 -18.095 1.698 1.00 34.10 H new ATOM 0 HD22 ASN A 49 16.393 -18.776 1.282 1.00 34.10 H new ATOM 784 N PRO A 50 13.056 -14.297 -1.393 1.00 23.14 N ATOM 785 CA PRO A 50 11.705 -14.072 -1.955 1.00 61.24 C ATOM 786 C PRO A 50 11.338 -15.001 -3.133 1.00 73.12 C ATOM 787 O PRO A 50 10.758 -14.562 -4.126 1.00 63.15 O ATOM 788 CB PRO A 50 11.774 -12.609 -2.416 1.00 41.31 C ATOM 789 CG PRO A 50 13.211 -12.386 -2.748 1.00 60.12 C ATOM 790 CD PRO A 50 13.996 -13.218 -1.766 1.00 65.24 C ATOM 0 HA PRO A 50 10.930 -14.287 -1.219 1.00 61.24 H new ATOM 0 HB2 PRO A 50 11.136 -12.436 -3.282 1.00 41.31 H new ATOM 0 HB3 PRO A 50 11.438 -11.930 -1.632 1.00 41.31 H new ATOM 0 HG2 PRO A 50 13.426 -12.686 -3.774 1.00 60.12 H new ATOM 0 HG3 PRO A 50 13.472 -11.331 -2.663 1.00 60.12 H new ATOM 0 HD2 PRO A 50 14.905 -13.617 -2.216 1.00 65.24 H new ATOM 0 HD3 PRO A 50 14.299 -12.633 -0.898 1.00 65.24 H new ATOM 798 N HIS A 51 11.634 -16.296 -3.007 1.00 32.42 N ATOM 799 CA HIS A 51 11.261 -17.277 -4.039 1.00 5.23 C ATOM 800 C HIS A 51 9.881 -17.898 -3.751 1.00 53.21 C ATOM 801 O HIS A 51 9.411 -18.764 -4.490 1.00 32.44 O ATOM 802 CB HIS A 51 12.319 -18.386 -4.130 1.00 21.34 C ATOM 803 CG HIS A 51 13.681 -17.890 -4.516 1.00 73.43 C ATOM 804 ND1 HIS A 51 14.063 -17.674 -5.823 1.00 31.44 N ATOM 805 CD2 HIS A 51 14.756 -17.570 -3.758 1.00 72.34 C ATOM 806 CE1 HIS A 51 15.307 -17.240 -5.852 1.00 42.10 C ATOM 807 NE2 HIS A 51 15.749 -17.169 -4.614 1.00 53.10 N ATOM 0 H HIS A 51 12.128 -16.692 -2.207 1.00 32.42 H new ATOM 0 HA HIS A 51 11.207 -16.750 -4.991 1.00 5.23 H new ATOM 0 HB2 HIS A 51 12.386 -18.892 -3.167 1.00 21.34 H new ATOM 0 HB3 HIS A 51 11.993 -19.128 -4.858 1.00 21.34 H new ATOM 0 HD2 HIS A 51 14.819 -17.621 -2.681 1.00 72.34 H new ATOM 0 HE1 HIS A 51 15.868 -16.986 -6.739 1.00 42.10 H new ATOM 0 HE2 HIS A 51 16.682 -16.864 -4.336 1.00 53.10 H new ATOM 816 N PHE A 52 9.231 -17.437 -2.682 1.00 0.14 N ATOM 817 CA PHE A 52 7.945 -18.004 -2.246 1.00 3.12 C ATOM 818 C PHE A 52 6.745 -17.340 -2.940 1.00 74.21 C ATOM 819 O PHE A 52 5.592 -17.662 -2.644 1.00 30.41 O ATOM 820 CB PHE A 52 7.810 -17.878 -0.723 1.00 3.41 C ATOM 821 CG PHE A 52 8.964 -18.493 0.033 1.00 65.35 C ATOM 822 CD1 PHE A 52 9.193 -19.861 -0.017 1.00 24.40 C ATOM 823 CD2 PHE A 52 9.832 -17.701 0.769 1.00 4.14 C ATOM 824 CE1 PHE A 52 10.255 -20.426 0.663 1.00 74.23 C ATOM 825 CE2 PHE A 52 10.897 -18.263 1.449 1.00 55.44 C ATOM 826 CZ PHE A 52 11.111 -19.625 1.391 1.00 22.22 C ATOM 0 H PHE A 52 9.570 -16.672 -2.099 1.00 0.14 H new ATOM 0 HA PHE A 52 7.939 -19.056 -2.532 1.00 3.12 H new ATOM 0 HB2 PHE A 52 7.732 -16.823 -0.458 1.00 3.41 H new ATOM 0 HB3 PHE A 52 6.882 -18.355 -0.407 1.00 3.41 H new ATOM 0 HD1 PHE A 52 8.533 -20.492 -0.594 1.00 24.40 H new ATOM 0 HD2 PHE A 52 9.675 -16.633 0.812 1.00 4.14 H new ATOM 0 HE1 PHE A 52 10.415 -21.493 0.625 1.00 74.23 H new ATOM 0 HE2 PHE A 52 11.561 -17.636 2.025 1.00 55.44 H new ATOM 0 HZ PHE A 52 11.947 -20.064 1.915 1.00 22.22 H new ATOM 836 N VAL A 53 7.013 -16.416 -3.865 1.00 52.11 N ATOM 837 CA VAL A 53 5.946 -15.789 -4.654 1.00 0.24 C ATOM 838 C VAL A 53 5.305 -16.827 -5.589 1.00 73.53 C ATOM 839 O VAL A 53 5.795 -17.089 -6.690 1.00 71.24 O ATOM 840 CB VAL A 53 6.478 -14.586 -5.477 1.00 64.05 C ATOM 841 CG1 VAL A 53 5.343 -13.907 -6.245 1.00 63.13 C ATOM 842 CG2 VAL A 53 7.192 -13.586 -4.569 1.00 43.41 C ATOM 0 H VAL A 53 7.952 -16.086 -4.087 1.00 52.11 H new ATOM 0 HA VAL A 53 5.194 -15.412 -3.961 1.00 0.24 H new ATOM 0 HB VAL A 53 7.198 -14.963 -6.203 1.00 64.05 H new ATOM 0 HG11 VAL A 53 5.741 -13.067 -6.814 1.00 63.13 H new ATOM 0 HG12 VAL A 53 4.886 -14.624 -6.927 1.00 63.13 H new ATOM 0 HG13 VAL A 53 4.593 -13.546 -5.542 1.00 63.13 H new ATOM 0 HG21 VAL A 53 7.558 -12.750 -5.165 1.00 43.41 H new ATOM 0 HG22 VAL A 53 6.496 -13.217 -3.815 1.00 43.41 H new ATOM 0 HG23 VAL A 53 8.032 -14.076 -4.078 1.00 43.41 H new ATOM 852 N ARG A 54 4.221 -17.439 -5.126 1.00 74.04 N ATOM 853 CA ARG A 54 3.627 -18.589 -5.810 1.00 2.10 C ATOM 854 C ARG A 54 2.593 -18.182 -6.873 1.00 3.43 C ATOM 855 O ARG A 54 2.794 -18.425 -8.067 1.00 0.24 O ATOM 856 CB ARG A 54 2.997 -19.530 -4.770 1.00 0.43 C ATOM 857 CG ARG A 54 2.401 -20.806 -5.355 1.00 2.42 C ATOM 858 CD ARG A 54 2.078 -21.831 -4.267 1.00 65.13 C ATOM 859 NE ARG A 54 3.289 -22.334 -3.610 1.00 60.11 N ATOM 860 CZ ARG A 54 3.430 -23.550 -3.150 1.00 33.23 C ATOM 861 NH1 ARG A 54 2.457 -24.402 -3.214 1.00 43.41 N ATOM 862 NH2 ARG A 54 4.557 -23.914 -2.630 1.00 52.15 N ATOM 0 H ARG A 54 3.731 -17.159 -4.276 1.00 74.04 H new ATOM 0 HA ARG A 54 4.425 -19.106 -6.344 1.00 2.10 H new ATOM 0 HB2 ARG A 54 3.756 -19.801 -4.036 1.00 0.43 H new ATOM 0 HB3 ARG A 54 2.215 -18.990 -4.236 1.00 0.43 H new ATOM 0 HG2 ARG A 54 1.493 -20.563 -5.907 1.00 2.42 H new ATOM 0 HG3 ARG A 54 3.101 -21.241 -6.068 1.00 2.42 H new ATOM 0 HD2 ARG A 54 1.424 -21.376 -3.523 1.00 65.13 H new ATOM 0 HD3 ARG A 54 1.530 -22.665 -4.706 1.00 65.13 H new ATOM 0 HE ARG A 54 4.074 -21.692 -3.505 1.00 60.11 H new ATOM 0 HH11 ARG A 54 1.566 -24.128 -3.627 1.00 43.41 H new ATOM 0 HH12 ARG A 54 2.582 -25.347 -2.851 1.00 43.41 H new ATOM 0 HH21 ARG A 54 5.332 -23.253 -2.580 1.00 52.15 H new ATOM 0 HH22 ARG A 54 4.670 -24.862 -2.270 1.00 52.15 H new ATOM 876 N ARG A 55 1.498 -17.554 -6.450 1.00 33.41 N ATOM 877 CA ARG A 55 0.387 -17.255 -7.370 1.00 63.34 C ATOM 878 C ARG A 55 -0.013 -15.763 -7.337 1.00 62.23 C ATOM 879 O ARG A 55 -1.036 -15.369 -7.899 1.00 32.41 O ATOM 880 CB ARG A 55 -0.805 -18.172 -7.038 1.00 43.34 C ATOM 881 CG ARG A 55 -1.952 -18.115 -8.048 1.00 20.14 C ATOM 882 CD ARG A 55 -2.895 -19.307 -7.910 1.00 2.43 C ATOM 883 NE ARG A 55 -3.369 -19.484 -6.540 1.00 72.03 N ATOM 884 CZ ARG A 55 -4.218 -20.406 -6.169 1.00 5.52 C ATOM 885 NH1 ARG A 55 -4.691 -21.252 -7.027 1.00 44.34 N ATOM 886 NH2 ARG A 55 -4.577 -20.488 -4.929 1.00 21.02 N ATOM 0 H ARG A 55 1.350 -17.243 -5.490 1.00 33.41 H new ATOM 0 HA ARG A 55 0.717 -17.453 -8.390 1.00 63.34 H new ATOM 0 HB2 ARG A 55 -0.448 -19.200 -6.971 1.00 43.34 H new ATOM 0 HB3 ARG A 55 -1.191 -17.903 -6.054 1.00 43.34 H new ATOM 0 HG2 ARG A 55 -2.513 -17.191 -7.908 1.00 20.14 H new ATOM 0 HG3 ARG A 55 -1.544 -18.090 -9.059 1.00 20.14 H new ATOM 0 HD2 ARG A 55 -3.749 -19.170 -8.573 1.00 2.43 H new ATOM 0 HD3 ARG A 55 -2.382 -20.212 -8.234 1.00 2.43 H new ATOM 0 HE ARG A 55 -3.015 -18.847 -5.827 1.00 72.03 H new ATOM 0 HH11 ARG A 55 -4.402 -21.203 -8.004 1.00 44.34 H new ATOM 0 HH12 ARG A 55 -5.353 -21.967 -6.726 1.00 44.34 H new ATOM 0 HH21 ARG A 55 -4.198 -19.834 -4.244 1.00 21.02 H new ATOM 0 HH22 ARG A 55 -5.239 -21.206 -4.636 1.00 21.02 H new ATOM 900 N ASN A 56 0.805 -14.941 -6.673 1.00 4.01 N ATOM 901 CA ASN A 56 0.664 -13.470 -6.712 1.00 4.01 C ATOM 902 C ASN A 56 -0.687 -12.964 -6.161 1.00 63.45 C ATOM 903 O ASN A 56 -1.070 -11.819 -6.413 1.00 10.20 O ATOM 904 CB ASN A 56 0.841 -12.961 -8.153 1.00 13.10 C ATOM 905 CG ASN A 56 2.213 -13.265 -8.726 1.00 65.25 C ATOM 906 OD1 ASN A 56 2.852 -14.250 -8.371 1.00 44.14 O ATOM 907 ND2 ASN A 56 2.674 -12.422 -9.627 1.00 24.13 N ATOM 0 H ASN A 56 1.580 -15.267 -6.095 1.00 4.01 H new ATOM 0 HA ASN A 56 1.444 -13.075 -6.062 1.00 4.01 H new ATOM 0 HB2 ASN A 56 0.080 -13.414 -8.788 1.00 13.10 H new ATOM 0 HB3 ASN A 56 0.675 -11.884 -8.175 1.00 13.10 H new ATOM 0 HD21 ASN A 56 3.588 -12.579 -10.052 1.00 24.13 H new ATOM 0 HD22 ASN A 56 2.117 -11.612 -9.900 1.00 24.13 H new ATOM 914 N ILE A 57 -1.396 -13.797 -5.401 1.00 45.21 N ATOM 915 CA ILE A 57 -2.698 -13.404 -4.846 1.00 15.34 C ATOM 916 C ILE A 57 -2.561 -12.255 -3.831 1.00 65.32 C ATOM 917 O ILE A 57 -2.080 -12.446 -2.713 1.00 1.13 O ATOM 918 CB ILE A 57 -3.430 -14.601 -4.180 1.00 53.12 C ATOM 919 CG1 ILE A 57 -3.731 -15.691 -5.225 1.00 61.33 C ATOM 920 CG2 ILE A 57 -4.720 -14.139 -3.493 1.00 63.11 C ATOM 921 CD1 ILE A 57 -4.544 -16.854 -4.689 1.00 23.52 C ATOM 0 H ILE A 57 -1.098 -14.741 -5.155 1.00 45.21 H new ATOM 0 HA ILE A 57 -3.296 -13.058 -5.689 1.00 15.34 H new ATOM 0 HB ILE A 57 -2.775 -15.022 -3.417 1.00 53.12 H new ATOM 0 HG12 ILE A 57 -4.268 -15.241 -6.060 1.00 61.33 H new ATOM 0 HG13 ILE A 57 -2.789 -16.071 -5.620 1.00 61.33 H new ATOM 0 HG21 ILE A 57 -5.215 -14.995 -3.034 1.00 63.11 H new ATOM 0 HG22 ILE A 57 -4.480 -13.404 -2.725 1.00 63.11 H new ATOM 0 HG23 ILE A 57 -5.384 -13.689 -4.231 1.00 63.11 H new ATOM 0 HD11 ILE A 57 -4.713 -17.578 -5.486 1.00 23.52 H new ATOM 0 HD12 ILE A 57 -4.001 -17.332 -3.874 1.00 23.52 H new ATOM 0 HD13 ILE A 57 -5.503 -16.489 -4.321 1.00 23.52 H new ATOM 933 N ILE A 58 -2.973 -11.056 -4.245 1.00 73.33 N ATOM 934 CA ILE A 58 -2.975 -9.883 -3.363 1.00 52.32 C ATOM 935 C ILE A 58 -4.087 -9.994 -2.309 1.00 41.44 C ATOM 936 O ILE A 58 -5.270 -10.065 -2.647 1.00 62.45 O ATOM 937 CB ILE A 58 -3.167 -8.568 -4.168 1.00 10.32 C ATOM 938 CG1 ILE A 58 -2.101 -8.455 -5.272 1.00 33.11 C ATOM 939 CG2 ILE A 58 -3.113 -7.350 -3.239 1.00 11.23 C ATOM 940 CD1 ILE A 58 -2.255 -7.223 -6.144 1.00 71.24 C ATOM 0 H ILE A 58 -3.311 -10.869 -5.189 1.00 73.33 H new ATOM 0 HA ILE A 58 -2.005 -9.854 -2.867 1.00 52.32 H new ATOM 0 HB ILE A 58 -4.150 -8.593 -4.638 1.00 10.32 H new ATOM 0 HG12 ILE A 58 -1.113 -8.442 -4.811 1.00 33.11 H new ATOM 0 HG13 ILE A 58 -2.147 -9.343 -5.902 1.00 33.11 H new ATOM 0 HG21 ILE A 58 -3.250 -6.440 -3.824 1.00 11.23 H new ATOM 0 HG22 ILE A 58 -3.905 -7.425 -2.494 1.00 11.23 H new ATOM 0 HG23 ILE A 58 -2.146 -7.317 -2.738 1.00 11.23 H new ATOM 0 HD11 ILE A 58 -1.469 -7.211 -6.899 1.00 71.24 H new ATOM 0 HD12 ILE A 58 -3.228 -7.243 -6.634 1.00 71.24 H new ATOM 0 HD13 ILE A 58 -2.178 -6.328 -5.526 1.00 71.24 H new ATOM 952 N THR A 59 -3.701 -10.026 -1.037 1.00 73.12 N ATOM 953 CA THR A 59 -4.665 -10.128 0.067 1.00 71.43 C ATOM 954 C THR A 59 -4.166 -9.388 1.315 1.00 72.21 C ATOM 955 O THR A 59 -3.025 -8.921 1.353 1.00 1.41 O ATOM 956 CB THR A 59 -4.955 -11.607 0.429 1.00 51.31 C ATOM 957 OG1 THR A 59 -5.920 -11.683 1.493 1.00 43.12 O ATOM 958 CG2 THR A 59 -3.676 -12.331 0.837 1.00 14.13 C ATOM 0 H THR A 59 -2.726 -9.983 -0.739 1.00 73.12 H new ATOM 0 HA THR A 59 -5.588 -9.660 -0.276 1.00 71.43 H new ATOM 0 HB THR A 59 -5.361 -12.095 -0.457 1.00 51.31 H new ATOM 0 HG1 THR A 59 -6.095 -12.623 1.710 1.00 43.12 H new ATOM 0 HG21 THR A 59 -3.908 -13.367 1.086 1.00 14.13 H new ATOM 0 HG22 THR A 59 -2.965 -12.307 0.011 1.00 14.13 H new ATOM 0 HG23 THR A 59 -3.240 -11.838 1.706 1.00 14.13 H new ATOM 966 N ARG A 60 -5.018 -9.291 2.337 1.00 53.15 N ATOM 967 CA ARG A 60 -4.673 -8.573 3.575 1.00 21.35 C ATOM 968 C ARG A 60 -3.395 -9.136 4.222 1.00 32.13 C ATOM 969 O ARG A 60 -3.176 -10.350 4.238 1.00 35.04 O ATOM 970 CB ARG A 60 -5.831 -8.647 4.582 1.00 12.54 C ATOM 971 CG ARG A 60 -7.160 -8.130 4.044 1.00 61.11 C ATOM 972 CD ARG A 60 -8.212 -8.024 5.149 1.00 32.32 C ATOM 973 NE ARG A 60 -8.435 -9.302 5.830 1.00 12.41 N ATOM 974 CZ ARG A 60 -8.518 -9.441 7.129 1.00 72.20 C ATOM 975 NH1 ARG A 60 -8.367 -8.423 7.912 1.00 72.04 N ATOM 976 NH2 ARG A 60 -8.743 -10.603 7.647 1.00 43.30 N ATOM 0 H ARG A 60 -5.953 -9.699 2.336 1.00 53.15 H new ATOM 0 HA ARG A 60 -4.491 -7.533 3.304 1.00 21.35 H new ATOM 0 HB2 ARG A 60 -5.958 -9.683 4.898 1.00 12.54 H new ATOM 0 HB3 ARG A 60 -5.563 -8.074 5.470 1.00 12.54 H new ATOM 0 HG2 ARG A 60 -7.012 -7.152 3.587 1.00 61.11 H new ATOM 0 HG3 ARG A 60 -7.520 -8.797 3.261 1.00 61.11 H new ATOM 0 HD2 ARG A 60 -7.896 -7.277 5.877 1.00 32.32 H new ATOM 0 HD3 ARG A 60 -9.151 -7.674 4.721 1.00 32.32 H new ATOM 0 HE ARG A 60 -8.532 -10.138 5.254 1.00 12.41 H new ATOM 0 HH11 ARG A 60 -8.181 -7.500 7.519 1.00 72.04 H new ATOM 0 HH12 ARG A 60 -8.434 -8.543 8.923 1.00 72.04 H new ATOM 0 HH21 ARG A 60 -8.857 -11.417 7.043 1.00 43.30 H new ATOM 0 HH22 ARG A 60 -8.807 -10.706 8.660 1.00 43.30 H new ATOM 990 N GLY A 61 -2.553 -8.250 4.749 1.00 30.21 N ATOM 991 CA GLY A 61 -1.328 -8.678 5.419 1.00 62.31 C ATOM 992 C GLY A 61 -0.109 -8.706 4.498 1.00 44.21 C ATOM 993 O GLY A 61 1.026 -8.568 4.961 1.00 3.12 O ATOM 0 H GLY A 61 -2.695 -7.240 4.726 1.00 30.21 H new ATOM 0 HA2 GLY A 61 -1.127 -8.008 6.255 1.00 62.31 H new ATOM 0 HA3 GLY A 61 -1.480 -9.673 5.838 1.00 62.31 H new ATOM 997 N ALA A 62 -0.335 -8.888 3.198 1.00 41.42 N ATOM 998 CA ALA A 62 0.762 -8.917 2.223 1.00 75.32 C ATOM 999 C ALA A 62 1.246 -7.497 1.885 1.00 43.32 C ATOM 1000 O ALA A 62 0.501 -6.525 2.024 1.00 0.01 O ATOM 1001 CB ALA A 62 0.333 -9.654 0.958 1.00 15.22 C ATOM 0 H ALA A 62 -1.262 -9.017 2.793 1.00 41.42 H new ATOM 0 HA ALA A 62 1.597 -9.455 2.673 1.00 75.32 H new ATOM 0 HB1 ALA A 62 1.158 -9.666 0.246 1.00 15.22 H new ATOM 0 HB2 ALA A 62 0.056 -10.678 1.210 1.00 15.22 H new ATOM 0 HB3 ALA A 62 -0.522 -9.146 0.513 1.00 15.22 H new ATOM 1007 N VAL A 63 2.494 -7.384 1.439 1.00 4.43 N ATOM 1008 CA VAL A 63 3.106 -6.079 1.163 1.00 42.03 C ATOM 1009 C VAL A 63 3.388 -5.883 -0.336 1.00 32.44 C ATOM 1010 O VAL A 63 4.012 -6.717 -0.989 1.00 73.25 O ATOM 1011 CB VAL A 63 4.422 -5.910 1.966 1.00 24.20 C ATOM 1012 CG1 VAL A 63 5.061 -4.548 1.704 1.00 13.22 C ATOM 1013 CG2 VAL A 63 4.169 -6.110 3.461 1.00 10.53 C ATOM 0 H VAL A 63 3.106 -8.180 1.259 1.00 4.43 H new ATOM 0 HA VAL A 63 2.390 -5.319 1.476 1.00 42.03 H new ATOM 0 HB VAL A 63 5.121 -6.675 1.628 1.00 24.20 H new ATOM 0 HG11 VAL A 63 5.981 -4.461 2.281 1.00 13.22 H new ATOM 0 HG12 VAL A 63 5.288 -4.451 0.642 1.00 13.22 H new ATOM 0 HG13 VAL A 63 4.370 -3.759 2.001 1.00 13.22 H new ATOM 0 HG21 VAL A 63 5.104 -5.988 4.008 1.00 10.53 H new ATOM 0 HG22 VAL A 63 3.446 -5.373 3.809 1.00 10.53 H new ATOM 0 HG23 VAL A 63 3.777 -7.112 3.633 1.00 10.53 H new ATOM 1023 N VAL A 64 2.918 -4.771 -0.883 1.00 22.20 N ATOM 1024 CA VAL A 64 3.163 -4.443 -2.285 1.00 61.10 C ATOM 1025 C VAL A 64 4.256 -3.369 -2.419 1.00 44.14 C ATOM 1026 O VAL A 64 4.203 -2.320 -1.773 1.00 42.32 O ATOM 1027 CB VAL A 64 1.862 -3.966 -2.989 1.00 43.14 C ATOM 1028 CG1 VAL A 64 0.835 -5.099 -3.044 1.00 42.32 C ATOM 1029 CG2 VAL A 64 1.270 -2.741 -2.292 1.00 73.44 C ATOM 0 H VAL A 64 2.364 -4.079 -0.379 1.00 22.20 H new ATOM 0 HA VAL A 64 3.506 -5.354 -2.775 1.00 61.10 H new ATOM 0 HB VAL A 64 2.120 -3.679 -4.008 1.00 43.14 H new ATOM 0 HG11 VAL A 64 -0.069 -4.747 -3.540 1.00 42.32 H new ATOM 0 HG12 VAL A 64 1.250 -5.940 -3.600 1.00 42.32 H new ATOM 0 HG13 VAL A 64 0.592 -5.419 -2.031 1.00 42.32 H new ATOM 0 HG21 VAL A 64 0.361 -2.432 -2.809 1.00 73.44 H new ATOM 0 HG22 VAL A 64 1.033 -2.990 -1.258 1.00 73.44 H new ATOM 0 HG23 VAL A 64 1.993 -1.926 -2.312 1.00 73.44 H new ATOM 1039 N GLU A 65 5.264 -3.655 -3.240 1.00 24.31 N ATOM 1040 CA GLU A 65 6.348 -2.700 -3.502 1.00 31.10 C ATOM 1041 C GLU A 65 5.877 -1.612 -4.473 1.00 72.11 C ATOM 1042 O GLU A 65 5.646 -1.885 -5.647 1.00 74.32 O ATOM 1043 CB GLU A 65 7.570 -3.425 -4.089 1.00 54.33 C ATOM 1044 CG GLU A 65 8.754 -2.504 -4.392 1.00 51.25 C ATOM 1045 CD GLU A 65 9.455 -1.991 -3.140 1.00 20.33 C ATOM 1046 OE1 GLU A 65 8.985 -0.996 -2.548 1.00 64.32 O ATOM 1047 OE2 GLU A 65 10.491 -2.578 -2.754 1.00 22.13 O ATOM 0 H GLU A 65 5.356 -4.541 -3.738 1.00 24.31 H new ATOM 0 HA GLU A 65 6.631 -2.235 -2.558 1.00 31.10 H new ATOM 0 HB2 GLU A 65 7.893 -4.196 -3.390 1.00 54.33 H new ATOM 0 HB3 GLU A 65 7.273 -3.932 -5.007 1.00 54.33 H new ATOM 0 HG2 GLU A 65 9.474 -3.041 -5.009 1.00 51.25 H new ATOM 0 HG3 GLU A 65 8.404 -1.654 -4.978 1.00 51.25 H new ATOM 1054 N THR A 66 5.735 -0.385 -3.981 1.00 71.23 N ATOM 1055 CA THR A 66 5.190 0.722 -4.784 1.00 35.42 C ATOM 1056 C THR A 66 6.218 1.835 -5.020 1.00 71.44 C ATOM 1057 O THR A 66 7.333 1.799 -4.498 1.00 71.43 O ATOM 1058 CB THR A 66 3.958 1.363 -4.100 1.00 71.14 C ATOM 1059 OG1 THR A 66 4.360 2.036 -2.896 1.00 31.40 O ATOM 1060 CG2 THR A 66 2.905 0.311 -3.769 1.00 65.13 C ATOM 0 H THR A 66 5.989 -0.125 -3.028 1.00 71.23 H new ATOM 0 HA THR A 66 4.910 0.277 -5.739 1.00 35.42 H new ATOM 0 HB THR A 66 3.522 2.082 -4.794 1.00 71.14 H new ATOM 0 HG1 THR A 66 4.685 1.378 -2.246 1.00 31.40 H new ATOM 0 HG21 THR A 66 2.051 0.789 -3.289 1.00 65.13 H new ATOM 0 HG22 THR A 66 2.579 -0.178 -4.687 1.00 65.13 H new ATOM 0 HG23 THR A 66 3.332 -0.431 -3.094 1.00 65.13 H new ATOM 1068 N ASN A 67 5.826 2.835 -5.808 1.00 13.11 N ATOM 1069 CA ASN A 67 6.659 4.024 -6.036 1.00 74.52 C ATOM 1070 C ASN A 67 6.964 4.753 -4.714 1.00 30.42 C ATOM 1071 O ASN A 67 8.016 5.379 -4.563 1.00 32.15 O ATOM 1072 CB ASN A 67 5.974 4.974 -7.030 1.00 64.22 C ATOM 1073 CG ASN A 67 4.586 5.397 -6.579 1.00 2.30 C ATOM 1074 OD1 ASN A 67 3.903 4.672 -5.868 1.00 71.02 O ATOM 1075 ND2 ASN A 67 4.145 6.562 -7.004 1.00 25.23 N ATOM 0 H ASN A 67 4.934 2.849 -6.303 1.00 13.11 H new ATOM 0 HA ASN A 67 7.607 3.695 -6.462 1.00 74.52 H new ATOM 0 HB2 ASN A 67 6.594 5.861 -7.164 1.00 64.22 H new ATOM 0 HB3 ASN A 67 5.902 4.486 -8.002 1.00 64.22 H new ATOM 0 HD21 ASN A 67 3.212 6.881 -6.742 1.00 25.23 H new ATOM 0 HD22 ASN A 67 4.736 7.146 -7.596 1.00 25.23 H new ATOM 1082 N LEU A 68 6.039 4.661 -3.760 1.00 25.32 N ATOM 1083 CA LEU A 68 6.259 5.196 -2.410 1.00 44.31 C ATOM 1084 C LEU A 68 7.083 4.212 -1.562 1.00 44.25 C ATOM 1085 O LEU A 68 7.816 4.611 -0.653 1.00 52.52 O ATOM 1086 CB LEU A 68 4.913 5.483 -1.725 1.00 2.32 C ATOM 1087 CG LEU A 68 4.005 6.490 -2.455 1.00 63.23 C ATOM 1088 CD1 LEU A 68 2.700 6.700 -1.687 1.00 40.42 C ATOM 1089 CD2 LEU A 68 4.731 7.821 -2.670 1.00 63.14 C ATOM 0 H LEU A 68 5.128 4.221 -3.893 1.00 25.32 H new ATOM 0 HA LEU A 68 6.817 6.128 -2.499 1.00 44.31 H new ATOM 0 HB2 LEU A 68 4.372 4.543 -1.616 1.00 2.32 H new ATOM 0 HB3 LEU A 68 5.108 5.857 -0.720 1.00 2.32 H new ATOM 0 HG LEU A 68 3.759 6.077 -3.433 1.00 63.23 H new ATOM 0 HD11 LEU A 68 2.074 7.415 -2.221 1.00 40.42 H new ATOM 0 HD12 LEU A 68 2.172 5.750 -1.600 1.00 40.42 H new ATOM 0 HD13 LEU A 68 2.922 7.085 -0.691 1.00 40.42 H new ATOM 0 HD21 LEU A 68 4.070 8.516 -3.187 1.00 63.14 H new ATOM 0 HD22 LEU A 68 5.015 8.240 -1.705 1.00 63.14 H new ATOM 0 HD23 LEU A 68 5.625 7.655 -3.271 1.00 63.14 H new ATOM 1101 N GLY A 69 6.955 2.924 -1.867 1.00 50.50 N ATOM 1102 CA GLY A 69 7.704 1.896 -1.155 1.00 75.44 C ATOM 1103 C GLY A 69 6.832 0.736 -0.684 1.00 53.12 C ATOM 1104 O GLY A 69 5.817 0.417 -1.301 1.00 34.54 O ATOM 0 H GLY A 69 6.341 2.569 -2.600 1.00 50.50 H new ATOM 0 HA2 GLY A 69 8.489 1.511 -1.806 1.00 75.44 H new ATOM 0 HA3 GLY A 69 8.196 2.346 -0.293 1.00 75.44 H new ATOM 1108 N ASN A 70 7.231 0.111 0.417 1.00 41.32 N ATOM 1109 CA ASN A 70 6.500 -1.027 0.984 1.00 64.44 C ATOM 1110 C ASN A 70 5.121 -0.608 1.524 1.00 41.44 C ATOM 1111 O ASN A 70 5.023 0.238 2.410 1.00 11.04 O ATOM 1112 CB ASN A 70 7.333 -1.655 2.107 1.00 42.13 C ATOM 1113 CG ASN A 70 8.594 -2.347 1.613 1.00 0.22 C ATOM 1114 OD1 ASN A 70 9.154 -3.182 2.309 1.00 10.24 O ATOM 1115 ND2 ASN A 70 9.045 -2.034 0.409 1.00 2.02 N ATOM 0 H ASN A 70 8.065 0.373 0.943 1.00 41.32 H new ATOM 0 HA ASN A 70 6.334 -1.755 0.190 1.00 64.44 H new ATOM 0 HB2 ASN A 70 7.610 -0.879 2.821 1.00 42.13 H new ATOM 0 HB3 ASN A 70 6.718 -2.377 2.644 1.00 42.13 H new ATOM 0 HD21 ASN A 70 9.878 -2.493 0.041 1.00 2.02 H new ATOM 0 HD22 ASN A 70 8.559 -1.334 -0.151 1.00 2.02 H new ATOM 1122 N VAL A 71 4.059 -1.202 0.982 1.00 61.32 N ATOM 1123 CA VAL A 71 2.691 -0.910 1.433 1.00 44.10 C ATOM 1124 C VAL A 71 1.943 -2.194 1.831 1.00 24.01 C ATOM 1125 O VAL A 71 1.783 -3.101 1.020 1.00 52.14 O ATOM 1126 CB VAL A 71 1.890 -0.171 0.333 1.00 70.32 C ATOM 1127 CG1 VAL A 71 0.473 0.144 0.807 1.00 0.22 C ATOM 1128 CG2 VAL A 71 2.616 1.102 -0.097 1.00 41.00 C ATOM 0 H VAL A 71 4.115 -1.889 0.230 1.00 61.32 H new ATOM 0 HA VAL A 71 2.775 -0.267 2.309 1.00 44.10 H new ATOM 0 HB VAL A 71 1.814 -0.829 -0.532 1.00 70.32 H new ATOM 0 HG11 VAL A 71 -0.068 0.663 0.016 1.00 0.22 H new ATOM 0 HG12 VAL A 71 -0.044 -0.784 1.052 1.00 0.22 H new ATOM 0 HG13 VAL A 71 0.518 0.778 1.692 1.00 0.22 H new ATOM 0 HG21 VAL A 71 2.038 1.607 -0.870 1.00 41.00 H new ATOM 0 HG22 VAL A 71 2.730 1.764 0.762 1.00 41.00 H new ATOM 0 HG23 VAL A 71 3.600 0.845 -0.489 1.00 41.00 H new ATOM 1138 N ARG A 72 1.475 -2.262 3.074 1.00 71.43 N ATOM 1139 CA ARG A 72 0.785 -3.461 3.573 1.00 0.54 C ATOM 1140 C ARG A 72 -0.728 -3.388 3.312 1.00 34.40 C ATOM 1141 O ARG A 72 -1.409 -2.504 3.833 1.00 45.43 O ATOM 1142 CB ARG A 72 1.040 -3.631 5.074 1.00 0.23 C ATOM 1143 CG ARG A 72 0.566 -4.971 5.635 1.00 13.44 C ATOM 1144 CD ARG A 72 0.859 -5.092 7.127 1.00 62.20 C ATOM 1145 NE ARG A 72 2.290 -4.967 7.423 1.00 55.11 N ATOM 1146 CZ ARG A 72 2.770 -4.377 8.487 1.00 5.24 C ATOM 1147 NH1 ARG A 72 1.976 -3.822 9.348 1.00 44.45 N ATOM 1148 NH2 ARG A 72 4.050 -4.334 8.677 1.00 54.32 N ATOM 0 H ARG A 72 1.557 -1.508 3.756 1.00 71.43 H new ATOM 0 HA ARG A 72 1.184 -4.321 3.035 1.00 0.54 H new ATOM 0 HB2 ARG A 72 2.108 -3.526 5.265 1.00 0.23 H new ATOM 0 HB3 ARG A 72 0.539 -2.826 5.611 1.00 0.23 H new ATOM 0 HG2 ARG A 72 -0.505 -5.079 5.464 1.00 13.44 H new ATOM 0 HG3 ARG A 72 1.057 -5.784 5.100 1.00 13.44 H new ATOM 0 HD2 ARG A 72 0.309 -4.321 7.667 1.00 62.20 H new ATOM 0 HD3 ARG A 72 0.498 -6.054 7.490 1.00 62.20 H new ATOM 0 HE ARG A 72 2.952 -5.365 6.757 1.00 55.11 H new ATOM 0 HH11 ARG A 72 0.967 -3.843 9.199 1.00 44.45 H new ATOM 0 HH12 ARG A 72 2.360 -3.364 10.175 1.00 44.45 H new ATOM 0 HH21 ARG A 72 4.681 -4.760 7.998 1.00 54.32 H new ATOM 0 HH22 ARG A 72 4.427 -3.875 9.506 1.00 54.32 H new ATOM 1162 N VAL A 73 -1.243 -4.329 2.521 1.00 10.23 N ATOM 1163 CA VAL A 73 -2.669 -4.361 2.157 1.00 30.31 C ATOM 1164 C VAL A 73 -3.582 -4.537 3.387 1.00 24.32 C ATOM 1165 O VAL A 73 -3.394 -5.454 4.191 1.00 12.25 O ATOM 1166 CB VAL A 73 -2.960 -5.491 1.137 1.00 51.31 C ATOM 1167 CG1 VAL A 73 -4.433 -5.499 0.728 1.00 14.23 C ATOM 1168 CG2 VAL A 73 -2.061 -5.354 -0.092 1.00 12.44 C ATOM 0 H VAL A 73 -0.694 -5.086 2.115 1.00 10.23 H new ATOM 0 HA VAL A 73 -2.891 -3.396 1.702 1.00 30.31 H new ATOM 0 HB VAL A 73 -2.740 -6.443 1.621 1.00 51.31 H new ATOM 0 HG11 VAL A 73 -4.607 -6.302 0.012 1.00 14.23 H new ATOM 0 HG12 VAL A 73 -5.054 -5.657 1.609 1.00 14.23 H new ATOM 0 HG13 VAL A 73 -4.689 -4.543 0.271 1.00 14.23 H new ATOM 0 HG21 VAL A 73 -2.281 -6.157 -0.795 1.00 12.44 H new ATOM 0 HG22 VAL A 73 -2.243 -4.392 -0.571 1.00 12.44 H new ATOM 0 HG23 VAL A 73 -1.016 -5.415 0.213 1.00 12.44 H new ATOM 1178 N THR A 74 -4.577 -3.654 3.514 1.00 23.13 N ATOM 1179 CA THR A 74 -5.523 -3.683 4.643 1.00 75.42 C ATOM 1180 C THR A 74 -6.927 -4.118 4.205 1.00 14.12 C ATOM 1181 O THR A 74 -7.442 -5.136 4.659 1.00 30.33 O ATOM 1182 CB THR A 74 -5.635 -2.297 5.321 1.00 31.41 C ATOM 1183 OG1 THR A 74 -6.051 -1.310 4.363 1.00 64.23 O ATOM 1184 CG2 THR A 74 -4.308 -1.879 5.939 1.00 23.53 C ATOM 0 H THR A 74 -4.752 -2.904 2.846 1.00 23.13 H new ATOM 0 HA THR A 74 -5.125 -4.411 5.350 1.00 75.42 H new ATOM 0 HB THR A 74 -6.378 -2.371 6.115 1.00 31.41 H new ATOM 0 HG1 THR A 74 -6.121 -0.437 4.802 1.00 64.23 H new ATOM 0 HG21 THR A 74 -4.417 -0.901 6.408 1.00 23.53 H new ATOM 0 HG22 THR A 74 -4.010 -2.611 6.690 1.00 23.53 H new ATOM 0 HG23 THR A 74 -3.546 -1.826 5.162 1.00 23.53 H new ATOM 1192 N SER A 75 -7.555 -3.325 3.338 1.00 3.30 N ATOM 1193 CA SER A 75 -8.899 -3.643 2.829 1.00 53.51 C ATOM 1194 C SER A 75 -8.839 -4.715 1.735 1.00 24.21 C ATOM 1195 O SER A 75 -7.822 -4.863 1.056 1.00 14.52 O ATOM 1196 CB SER A 75 -9.583 -2.383 2.280 1.00 74.41 C ATOM 1197 OG SER A 75 -10.868 -2.675 1.744 1.00 52.44 O ATOM 0 H SER A 75 -7.161 -2.459 2.971 1.00 3.30 H new ATOM 0 HA SER A 75 -9.482 -4.031 3.664 1.00 53.51 H new ATOM 0 HB2 SER A 75 -9.680 -1.645 3.076 1.00 74.41 H new ATOM 0 HB3 SER A 75 -8.958 -1.937 1.506 1.00 74.41 H new ATOM 0 HG SER A 75 -11.276 -1.851 1.405 1.00 52.44 H new ATOM 1203 N ARG A 76 -9.937 -5.452 1.558 1.00 42.42 N ATOM 1204 CA ARG A 76 -9.985 -6.544 0.577 1.00 24.34 C ATOM 1205 C ARG A 76 -9.804 -6.002 -0.857 1.00 13.12 C ATOM 1206 O ARG A 76 -10.704 -5.361 -1.409 1.00 1.22 O ATOM 1207 CB ARG A 76 -11.317 -7.313 0.696 1.00 60.33 C ATOM 1208 CG ARG A 76 -11.230 -8.797 0.319 1.00 70.14 C ATOM 1209 CD ARG A 76 -10.816 -9.024 -1.138 1.00 44.34 C ATOM 1210 NE ARG A 76 -10.609 -10.441 -1.436 1.00 35.43 N ATOM 1211 CZ ARG A 76 -9.772 -10.896 -2.337 1.00 32.30 C ATOM 1212 NH1 ARG A 76 -9.107 -10.082 -3.097 1.00 73.12 N ATOM 1213 NH2 ARG A 76 -9.619 -12.173 -2.489 1.00 73.40 N ATOM 0 H ARG A 76 -10.804 -5.315 2.078 1.00 42.42 H new ATOM 0 HA ARG A 76 -9.164 -7.230 0.788 1.00 24.34 H new ATOM 0 HB2 ARG A 76 -11.678 -7.232 1.721 1.00 60.33 H new ATOM 0 HB3 ARG A 76 -12.058 -6.832 0.058 1.00 60.33 H new ATOM 0 HG2 ARG A 76 -10.513 -9.291 0.975 1.00 70.14 H new ATOM 0 HG3 ARG A 76 -12.198 -9.267 0.493 1.00 70.14 H new ATOM 0 HD2 ARG A 76 -11.584 -8.623 -1.799 1.00 44.34 H new ATOM 0 HD3 ARG A 76 -9.899 -8.473 -1.344 1.00 44.34 H new ATOM 0 HE ARG A 76 -11.153 -11.122 -0.906 1.00 35.43 H new ATOM 0 HH11 ARG A 76 -9.232 -9.075 -2.998 1.00 73.12 H new ATOM 0 HH12 ARG A 76 -8.459 -10.449 -3.794 1.00 73.12 H new ATOM 0 HH21 ARG A 76 -10.149 -12.823 -1.908 1.00 73.40 H new ATOM 0 HH22 ARG A 76 -8.968 -12.529 -3.189 1.00 73.40 H new ATOM 1227 N PRO A 77 -8.645 -6.276 -1.489 1.00 70.44 N ATOM 1228 CA PRO A 77 -8.331 -5.763 -2.834 1.00 13.34 C ATOM 1229 C PRO A 77 -9.320 -6.251 -3.903 1.00 21.15 C ATOM 1230 O PRO A 77 -9.604 -7.447 -4.004 1.00 20.15 O ATOM 1231 CB PRO A 77 -6.921 -6.313 -3.107 1.00 41.01 C ATOM 1232 CG PRO A 77 -6.778 -7.476 -2.185 1.00 65.42 C ATOM 1233 CD PRO A 77 -7.555 -7.115 -0.953 1.00 73.41 C ATOM 0 HA PRO A 77 -8.395 -4.676 -2.876 1.00 13.34 H new ATOM 0 HB2 PRO A 77 -6.810 -6.618 -4.148 1.00 41.01 H new ATOM 0 HB3 PRO A 77 -6.158 -5.559 -2.913 1.00 41.01 H new ATOM 0 HG2 PRO A 77 -7.167 -8.387 -2.640 1.00 65.42 H new ATOM 0 HG3 PRO A 77 -5.730 -7.661 -1.947 1.00 65.42 H new ATOM 0 HD2 PRO A 77 -7.938 -7.999 -0.443 1.00 73.41 H new ATOM 0 HD3 PRO A 77 -6.943 -6.572 -0.233 1.00 73.41 H new ATOM 1241 N GLY A 78 -9.858 -5.315 -4.686 1.00 51.13 N ATOM 1242 CA GLY A 78 -10.766 -5.671 -5.773 1.00 51.41 C ATOM 1243 C GLY A 78 -12.238 -5.703 -5.366 1.00 54.40 C ATOM 1244 O GLY A 78 -13.119 -5.650 -6.225 1.00 44.21 O ATOM 0 H GLY A 78 -9.682 -4.315 -4.588 1.00 51.13 H new ATOM 0 HA2 GLY A 78 -10.640 -4.957 -6.587 1.00 51.41 H new ATOM 0 HA3 GLY A 78 -10.485 -6.650 -6.161 1.00 51.41 H new ATOM 1248 N GLN A 79 -12.516 -5.781 -4.061 1.00 63.21 N ATOM 1249 CA GLN A 79 -13.902 -5.839 -3.571 1.00 4.32 C ATOM 1250 C GLN A 79 -14.707 -4.610 -4.021 1.00 11.42 C ATOM 1251 O GLN A 79 -15.847 -4.727 -4.465 1.00 23.41 O ATOM 1252 CB GLN A 79 -13.933 -5.945 -2.042 1.00 44.21 C ATOM 1253 CG GLN A 79 -15.338 -6.145 -1.476 1.00 13.31 C ATOM 1254 CD GLN A 79 -15.382 -6.145 0.041 1.00 34.33 C ATOM 1255 OE1 GLN A 79 -14.588 -5.485 0.701 1.00 72.52 O ATOM 1256 NE2 GLN A 79 -16.316 -6.881 0.609 1.00 72.55 N ATOM 0 H GLN A 79 -11.808 -5.805 -3.328 1.00 63.21 H new ATOM 0 HA GLN A 79 -14.362 -6.729 -4.000 1.00 4.32 H new ATOM 0 HB2 GLN A 79 -13.302 -6.777 -1.730 1.00 44.21 H new ATOM 0 HB3 GLN A 79 -13.502 -5.040 -1.614 1.00 44.21 H new ATOM 0 HG2 GLN A 79 -15.989 -5.355 -1.851 1.00 13.31 H new ATOM 0 HG3 GLN A 79 -15.739 -7.090 -1.844 1.00 13.31 H new ATOM 0 HE21 GLN A 79 -16.962 -7.419 0.032 1.00 72.55 H new ATOM 0 HE22 GLN A 79 -16.393 -6.912 1.626 1.00 72.55 H new ATOM 1265 N ASP A 80 -14.109 -3.429 -3.895 1.00 4.54 N ATOM 1266 CA ASP A 80 -14.740 -2.189 -4.362 1.00 72.32 C ATOM 1267 C ASP A 80 -14.050 -1.684 -5.646 1.00 25.21 C ATOM 1268 O ASP A 80 -14.117 -0.505 -5.985 1.00 63.02 O ATOM 1269 CB ASP A 80 -14.678 -1.131 -3.251 1.00 14.14 C ATOM 1270 CG ASP A 80 -15.548 0.083 -3.546 1.00 74.31 C ATOM 1271 OD1 ASP A 80 -16.752 -0.100 -3.823 1.00 0.30 O ATOM 1272 OD2 ASP A 80 -15.038 1.224 -3.489 1.00 61.12 O ATOM 0 H ASP A 80 -13.189 -3.300 -3.474 1.00 4.54 H new ATOM 0 HA ASP A 80 -15.785 -2.384 -4.601 1.00 72.32 H new ATOM 0 HB2 ASP A 80 -14.995 -1.580 -2.310 1.00 14.14 H new ATOM 0 HB3 ASP A 80 -13.645 -0.809 -3.119 1.00 14.14 H new ATOM 1277 N GLY A 81 -13.403 -2.602 -6.369 1.00 11.42 N ATOM 1278 CA GLY A 81 -12.655 -2.235 -7.572 1.00 3.40 C ATOM 1279 C GLY A 81 -11.353 -1.490 -7.274 1.00 12.15 C ATOM 1280 O GLY A 81 -10.690 -0.985 -8.184 1.00 25.11 O ATOM 0 H GLY A 81 -13.382 -3.597 -6.144 1.00 11.42 H new ATOM 0 HA2 GLY A 81 -12.427 -3.138 -8.139 1.00 3.40 H new ATOM 0 HA3 GLY A 81 -13.285 -1.611 -8.206 1.00 3.40 H new ATOM 1284 N VAL A 82 -10.981 -1.439 -5.995 1.00 0.24 N ATOM 1285 CA VAL A 82 -9.790 -0.707 -5.549 1.00 25.14 C ATOM 1286 C VAL A 82 -8.979 -1.528 -4.526 1.00 23.13 C ATOM 1287 O VAL A 82 -9.492 -2.484 -3.934 1.00 53.34 O ATOM 1288 CB VAL A 82 -10.198 0.658 -4.924 1.00 74.31 C ATOM 1289 CG1 VAL A 82 -11.022 0.458 -3.650 1.00 2.21 C ATOM 1290 CG2 VAL A 82 -8.978 1.540 -4.654 1.00 12.50 C ATOM 0 H VAL A 82 -11.491 -1.900 -5.241 1.00 0.24 H new ATOM 0 HA VAL A 82 -9.162 -0.531 -6.422 1.00 25.14 H new ATOM 0 HB VAL A 82 -10.823 1.175 -5.652 1.00 74.31 H new ATOM 0 HG11 VAL A 82 -11.293 1.429 -3.236 1.00 2.21 H new ATOM 0 HG12 VAL A 82 -11.928 -0.101 -3.886 1.00 2.21 H new ATOM 0 HG13 VAL A 82 -10.433 -0.097 -2.919 1.00 2.21 H new ATOM 0 HG21 VAL A 82 -9.302 2.485 -4.218 1.00 12.50 H new ATOM 0 HG22 VAL A 82 -8.307 1.031 -3.961 1.00 12.50 H new ATOM 0 HG23 VAL A 82 -8.454 1.733 -5.590 1.00 12.50 H new ATOM 1300 N ILE A 83 -7.706 -1.170 -4.347 1.00 50.35 N ATOM 1301 CA ILE A 83 -6.840 -1.803 -3.343 1.00 3.11 C ATOM 1302 C ILE A 83 -6.406 -0.773 -2.284 1.00 44.35 C ATOM 1303 O ILE A 83 -6.120 0.376 -2.614 1.00 33.45 O ATOM 1304 CB ILE A 83 -5.576 -2.423 -3.998 1.00 72.23 C ATOM 1305 CG1 ILE A 83 -5.972 -3.359 -5.155 1.00 32.33 C ATOM 1306 CG2 ILE A 83 -4.746 -3.177 -2.956 1.00 21.12 C ATOM 1307 CD1 ILE A 83 -4.794 -3.993 -5.868 1.00 64.12 C ATOM 0 H ILE A 83 -7.246 -0.438 -4.889 1.00 50.35 H new ATOM 0 HA ILE A 83 -7.415 -2.598 -2.869 1.00 3.11 H new ATOM 0 HB ILE A 83 -4.966 -1.615 -4.403 1.00 72.23 H new ATOM 0 HG12 ILE A 83 -6.615 -4.148 -4.766 1.00 32.33 H new ATOM 0 HG13 ILE A 83 -6.561 -2.796 -5.879 1.00 32.33 H new ATOM 0 HG21 ILE A 83 -3.864 -3.605 -3.433 1.00 21.12 H new ATOM 0 HG22 ILE A 83 -4.435 -2.488 -2.171 1.00 21.12 H new ATOM 0 HG23 ILE A 83 -5.347 -3.976 -2.521 1.00 21.12 H new ATOM 0 HD11 ILE A 83 -5.157 -4.637 -6.669 1.00 64.12 H new ATOM 0 HD12 ILE A 83 -4.161 -3.212 -6.289 1.00 64.12 H new ATOM 0 HD13 ILE A 83 -4.216 -4.586 -5.159 1.00 64.12 H new ATOM 1319 N ASN A 84 -6.362 -1.179 -1.013 1.00 25.34 N ATOM 1320 CA ASN A 84 -5.991 -0.266 0.082 1.00 64.02 C ATOM 1321 C ASN A 84 -4.862 -0.853 0.946 1.00 62.44 C ATOM 1322 O ASN A 84 -4.786 -2.067 1.135 1.00 65.41 O ATOM 1323 CB ASN A 84 -7.212 0.025 0.961 1.00 51.12 C ATOM 1324 CG ASN A 84 -8.389 0.553 0.162 1.00 75.25 C ATOM 1325 OD1 ASN A 84 -9.223 -0.209 -0.316 1.00 60.34 O ATOM 1326 ND2 ASN A 84 -8.464 1.857 0.009 1.00 23.25 N ATOM 0 H ASN A 84 -6.577 -2.130 -0.713 1.00 25.34 H new ATOM 0 HA ASN A 84 -5.632 0.661 -0.366 1.00 64.02 H new ATOM 0 HB2 ASN A 84 -7.508 -0.887 1.479 1.00 51.12 H new ATOM 0 HB3 ASN A 84 -6.940 0.752 1.726 1.00 51.12 H new ATOM 0 HD21 ASN A 84 -9.234 2.265 -0.521 1.00 23.25 H new ATOM 0 HD22 ASN A 84 -7.752 2.461 0.421 1.00 23.25 H new ATOM 1333 N GLY A 85 -3.994 0.013 1.473 1.00 32.40 N ATOM 1334 CA GLY A 85 -2.892 -0.448 2.319 1.00 12.32 C ATOM 1335 C GLY A 85 -2.242 0.667 3.139 1.00 73.33 C ATOM 1336 O GLY A 85 -2.648 1.822 3.052 1.00 25.50 O ATOM 0 H GLY A 85 -4.031 1.023 1.332 1.00 32.40 H new ATOM 0 HA2 GLY A 85 -3.262 -1.217 2.997 1.00 12.32 H new ATOM 0 HA3 GLY A 85 -2.134 -0.915 1.691 1.00 12.32 H new ATOM 1340 N VAL A 86 -1.228 0.316 3.939 1.00 33.12 N ATOM 1341 CA VAL A 86 -0.509 1.295 4.781 1.00 12.12 C ATOM 1342 C VAL A 86 0.944 1.474 4.316 1.00 63.21 C ATOM 1343 O VAL A 86 1.615 0.497 3.975 1.00 64.35 O ATOM 1344 CB VAL A 86 -0.479 0.861 6.272 1.00 12.31 C ATOM 1345 CG1 VAL A 86 0.022 1.998 7.163 1.00 73.21 C ATOM 1346 CG2 VAL A 86 -1.846 0.366 6.726 1.00 73.44 C ATOM 0 H VAL A 86 -0.882 -0.640 4.025 1.00 33.12 H new ATOM 0 HA VAL A 86 -1.054 2.234 4.681 1.00 12.12 H new ATOM 0 HB VAL A 86 0.221 0.031 6.366 1.00 12.31 H new ATOM 0 HG11 VAL A 86 0.033 1.668 8.202 1.00 73.21 H new ATOM 0 HG12 VAL A 86 1.031 2.280 6.861 1.00 73.21 H new ATOM 0 HG13 VAL A 86 -0.640 2.858 7.063 1.00 73.21 H new ATOM 0 HG21 VAL A 86 -1.796 0.069 7.773 1.00 73.44 H new ATOM 0 HG22 VAL A 86 -2.579 1.164 6.610 1.00 73.44 H new ATOM 0 HG23 VAL A 86 -2.143 -0.490 6.120 1.00 73.44 H new ATOM 1356 N LEU A 87 1.430 2.715 4.326 1.00 35.52 N ATOM 1357 CA LEU A 87 2.825 3.005 3.967 1.00 22.02 C ATOM 1358 C LEU A 87 3.782 2.575 5.091 1.00 21.25 C ATOM 1359 O LEU A 87 3.855 3.211 6.140 1.00 32.31 O ATOM 1360 CB LEU A 87 3.003 4.505 3.675 1.00 11.30 C ATOM 1361 CG LEU A 87 4.426 4.937 3.273 1.00 32.33 C ATOM 1362 CD1 LEU A 87 4.860 4.251 1.977 1.00 24.33 C ATOM 1363 CD2 LEU A 87 4.515 6.459 3.143 1.00 33.13 C ATOM 0 H LEU A 87 0.882 3.537 4.578 1.00 35.52 H new ATOM 0 HA LEU A 87 3.066 2.436 3.069 1.00 22.02 H new ATOM 0 HB2 LEU A 87 2.317 4.786 2.876 1.00 11.30 H new ATOM 0 HB3 LEU A 87 2.708 5.068 4.561 1.00 11.30 H new ATOM 0 HG LEU A 87 5.110 4.625 4.062 1.00 32.33 H new ATOM 0 HD11 LEU A 87 5.868 4.573 1.715 1.00 24.33 H new ATOM 0 HD12 LEU A 87 4.849 3.170 2.116 1.00 24.33 H new ATOM 0 HD13 LEU A 87 4.173 4.521 1.175 1.00 24.33 H new ATOM 0 HD21 LEU A 87 5.529 6.741 2.858 1.00 33.13 H new ATOM 0 HD22 LEU A 87 3.816 6.801 2.380 1.00 33.13 H new ATOM 0 HD23 LEU A 87 4.264 6.921 4.098 1.00 33.13 H new ATOM 1375 N ILE A 88 4.511 1.491 4.870 1.00 2.12 N ATOM 1376 CA ILE A 88 5.455 0.978 5.868 1.00 22.43 C ATOM 1377 C ILE A 88 6.864 0.849 5.282 1.00 33.30 C ATOM 1378 O ILE A 88 7.104 1.166 4.115 1.00 24.31 O ATOM 1379 CB ILE A 88 5.011 -0.402 6.411 1.00 21.22 C ATOM 1380 CG1 ILE A 88 5.025 -1.441 5.280 1.00 35.04 C ATOM 1381 CG2 ILE A 88 3.624 -0.313 7.054 1.00 21.03 C ATOM 1382 CD1 ILE A 88 4.531 -2.809 5.694 1.00 42.15 C ATOM 0 H ILE A 88 4.471 0.945 4.009 1.00 2.12 H new ATOM 0 HA ILE A 88 5.467 1.697 6.687 1.00 22.43 H new ATOM 0 HB ILE A 88 5.715 -0.717 7.181 1.00 21.22 H new ATOM 0 HG12 ILE A 88 4.408 -1.077 4.459 1.00 35.04 H new ATOM 0 HG13 ILE A 88 6.042 -1.534 4.898 1.00 35.04 H new ATOM 0 HG21 ILE A 88 3.333 -1.294 7.428 1.00 21.03 H new ATOM 0 HG22 ILE A 88 3.651 0.397 7.880 1.00 21.03 H new ATOM 0 HG23 ILE A 88 2.900 0.022 6.312 1.00 21.03 H new ATOM 0 HD11 ILE A 88 4.572 -3.485 4.840 1.00 42.15 H new ATOM 0 HD12 ILE A 88 5.162 -3.197 6.494 1.00 42.15 H new ATOM 0 HD13 ILE A 88 3.503 -2.733 6.047 1.00 42.15 H new ATOM 1394 N ARG A 89 7.796 0.372 6.096 1.00 60.42 N ATOM 1395 CA ARG A 89 9.186 0.191 5.664 1.00 61.41 C ATOM 1396 C ARG A 89 9.770 -1.119 6.220 1.00 11.15 C ATOM 1397 O ARG A 89 10.605 -1.103 7.125 1.00 2.34 O ATOM 1398 CB ARG A 89 10.056 1.385 6.107 1.00 14.54 C ATOM 1399 CG ARG A 89 9.606 2.742 5.562 1.00 51.40 C ATOM 1400 CD ARG A 89 9.739 2.833 4.043 1.00 14.14 C ATOM 1401 NE ARG A 89 9.247 4.113 3.527 1.00 62.53 N ATOM 1402 CZ ARG A 89 9.051 4.370 2.260 1.00 10.05 C ATOM 1403 NH1 ARG A 89 9.323 3.487 1.355 1.00 54.42 N ATOM 1404 NH2 ARG A 89 8.590 5.520 1.892 1.00 33.31 N ATOM 0 H ARG A 89 7.619 0.101 7.063 1.00 60.42 H new ATOM 0 HA ARG A 89 9.191 0.138 4.575 1.00 61.41 H new ATOM 0 HB2 ARG A 89 10.060 1.430 7.196 1.00 14.54 H new ATOM 0 HB3 ARG A 89 11.084 1.205 5.792 1.00 14.54 H new ATOM 0 HG2 ARG A 89 8.568 2.918 5.844 1.00 51.40 H new ATOM 0 HG3 ARG A 89 10.200 3.531 6.024 1.00 51.40 H new ATOM 0 HD2 ARG A 89 10.784 2.706 3.762 1.00 14.14 H new ATOM 0 HD3 ARG A 89 9.183 2.017 3.580 1.00 14.14 H new ATOM 0 HE ARG A 89 9.044 4.852 4.200 1.00 62.53 H new ATOM 0 HH11 ARG A 89 9.695 2.577 1.626 1.00 54.42 H new ATOM 0 HH12 ARG A 89 9.165 3.701 0.370 1.00 54.42 H new ATOM 0 HH21 ARG A 89 8.377 6.232 2.591 1.00 33.31 H new ATOM 0 HH22 ARG A 89 8.439 5.716 0.902 1.00 33.31 H new ATOM 1418 N GLU A 90 9.298 -2.254 5.698 1.00 12.34 N ATOM 1419 CA GLU A 90 9.865 -3.560 6.060 1.00 13.52 C ATOM 1420 C GLU A 90 11.217 -3.753 5.360 1.00 44.14 C ATOM 1421 O GLU A 90 12.117 -4.419 5.880 1.00 11.21 O ATOM 1422 CB GLU A 90 8.882 -4.690 5.713 1.00 63.23 C ATOM 1423 CG GLU A 90 7.567 -4.594 6.486 1.00 25.20 C ATOM 1424 CD GLU A 90 6.590 -5.727 6.197 1.00 51.32 C ATOM 1425 OE1 GLU A 90 6.886 -6.586 5.344 1.00 10.51 O ATOM 1426 OE2 GLU A 90 5.508 -5.753 6.830 1.00 71.20 O ATOM 0 H GLU A 90 8.530 -2.298 5.028 1.00 12.34 H new ATOM 0 HA GLU A 90 10.032 -3.593 7.137 1.00 13.52 H new ATOM 0 HB2 GLU A 90 8.671 -4.666 4.644 1.00 63.23 H new ATOM 0 HB3 GLU A 90 9.352 -5.651 5.924 1.00 63.23 H new ATOM 0 HG2 GLU A 90 7.786 -4.581 7.554 1.00 25.20 H new ATOM 0 HG3 GLU A 90 7.087 -3.645 6.248 1.00 25.20 H new ATOM 1433 N LEU A 91 11.338 -3.172 4.169 1.00 3.31 N ATOM 1434 CA LEU A 91 12.640 -2.980 3.526 1.00 1.33 C ATOM 1435 C LEU A 91 13.218 -1.615 3.932 1.00 73.14 C ATOM 1436 O LEU A 91 12.475 -0.717 4.341 1.00 52.42 O ATOM 1437 CB LEU A 91 12.508 -3.075 1.997 1.00 54.32 C ATOM 1438 CG LEU A 91 12.021 -4.436 1.467 1.00 54.30 C ATOM 1439 CD1 LEU A 91 11.894 -4.413 -0.054 1.00 44.42 C ATOM 1440 CD2 LEU A 91 12.952 -5.562 1.919 1.00 42.42 C ATOM 0 H LEU A 91 10.548 -2.824 3.626 1.00 3.31 H new ATOM 0 HA LEU A 91 13.318 -3.767 3.856 1.00 1.33 H new ATOM 0 HB2 LEU A 91 11.817 -2.303 1.659 1.00 54.32 H new ATOM 0 HB3 LEU A 91 13.477 -2.854 1.550 1.00 54.32 H new ATOM 0 HG LEU A 91 11.033 -4.627 1.886 1.00 54.30 H new ATOM 0 HD11 LEU A 91 11.549 -5.385 -0.405 1.00 44.42 H new ATOM 0 HD12 LEU A 91 11.178 -3.646 -0.348 1.00 44.42 H new ATOM 0 HD13 LEU A 91 12.865 -4.191 -0.497 1.00 44.42 H new ATOM 0 HD21 LEU A 91 12.587 -6.513 1.532 1.00 42.42 H new ATOM 0 HD22 LEU A 91 13.957 -5.378 1.539 1.00 42.42 H new ATOM 0 HD23 LEU A 91 12.977 -5.599 3.008 1.00 42.42 H new ATOM 1452 N GLU A 92 14.533 -1.457 3.821 1.00 54.03 N ATOM 1453 CA GLU A 92 15.212 -0.254 4.321 1.00 0.10 C ATOM 1454 C GLU A 92 14.840 1.006 3.509 1.00 54.33 C ATOM 1455 O GLU A 92 14.358 0.919 2.377 1.00 51.41 O ATOM 1456 CB GLU A 92 16.731 -0.474 4.304 1.00 60.30 C ATOM 1457 CG GLU A 92 17.522 0.535 5.135 1.00 42.24 C ATOM 1458 CD GLU A 92 19.015 0.250 5.140 1.00 40.50 C ATOM 1459 OE1 GLU A 92 19.409 -0.922 5.338 1.00 53.35 O ATOM 1460 OE2 GLU A 92 19.806 1.193 4.939 1.00 52.52 O ATOM 0 H GLU A 92 15.154 -2.142 3.391 1.00 54.03 H new ATOM 0 HA GLU A 92 14.878 -0.083 5.344 1.00 0.10 H new ATOM 0 HB2 GLU A 92 16.945 -1.477 4.672 1.00 60.30 H new ATOM 0 HB3 GLU A 92 17.081 -0.431 3.273 1.00 60.30 H new ATOM 0 HG2 GLU A 92 17.349 1.537 4.743 1.00 42.24 H new ATOM 0 HG3 GLU A 92 17.151 0.525 6.160 1.00 42.24 H new ATOM 1467 N HIS A 93 15.074 2.181 4.103 1.00 4.31 N ATOM 1468 CA HIS A 93 14.737 3.462 3.465 1.00 11.35 C ATOM 1469 C HIS A 93 15.439 3.624 2.101 1.00 71.41 C ATOM 1470 O HIS A 93 16.651 3.840 2.027 1.00 20.24 O ATOM 1471 CB HIS A 93 15.108 4.623 4.398 1.00 11.25 C ATOM 1472 CG HIS A 93 14.464 4.535 5.751 1.00 73.21 C ATOM 1473 ND1 HIS A 93 15.171 4.621 6.930 1.00 32.43 N ATOM 1474 CD2 HIS A 93 13.169 4.362 6.110 1.00 34.02 C ATOM 1475 CE1 HIS A 93 14.344 4.502 7.950 1.00 22.31 C ATOM 1476 NE2 HIS A 93 13.124 4.343 7.483 1.00 63.33 N ATOM 0 H HIS A 93 15.496 2.273 5.027 1.00 4.31 H new ATOM 0 HA HIS A 93 13.663 3.473 3.282 1.00 11.35 H new ATOM 0 HB2 HIS A 93 16.191 4.648 4.521 1.00 11.25 H new ATOM 0 HB3 HIS A 93 14.819 5.563 3.928 1.00 11.25 H new ATOM 0 HD2 HIS A 93 12.328 4.258 5.441 1.00 34.02 H new ATOM 0 HE1 HIS A 93 14.621 4.530 8.993 1.00 22.31 H new ATOM 0 HE2 HIS A 93 12.283 4.225 8.048 1.00 63.33 H new ATOM 1485 N HIS A 94 14.658 3.542 1.026 1.00 55.32 N ATOM 1486 CA HIS A 94 15.209 3.521 -0.332 1.00 63.53 C ATOM 1487 C HIS A 94 15.459 4.937 -0.886 1.00 50.10 C ATOM 1488 O HIS A 94 14.726 5.418 -1.748 1.00 73.02 O ATOM 1489 CB HIS A 94 14.274 2.732 -1.269 1.00 41.23 C ATOM 1490 CG HIS A 94 14.942 1.575 -1.957 1.00 52.31 C ATOM 1491 ND1 HIS A 94 14.546 0.264 -1.791 1.00 23.45 N ATOM 1492 CD2 HIS A 94 15.981 1.541 -2.826 1.00 23.24 C ATOM 1493 CE1 HIS A 94 15.310 -0.522 -2.523 1.00 54.43 C ATOM 1494 NE2 HIS A 94 16.184 0.225 -3.161 1.00 41.42 N ATOM 0 H HIS A 94 13.640 3.489 1.067 1.00 55.32 H new ATOM 0 HA HIS A 94 16.178 3.024 -0.284 1.00 63.53 H new ATOM 0 HB2 HIS A 94 13.427 2.360 -0.693 1.00 41.23 H new ATOM 0 HB3 HIS A 94 13.874 3.410 -2.023 1.00 41.23 H new ATOM 0 HD2 HIS A 94 16.544 2.389 -3.187 1.00 23.24 H new ATOM 0 HE1 HIS A 94 15.231 -1.597 -2.588 1.00 54.43 H new ATOM 0 HE2 HIS A 94 16.899 -0.118 -3.802 1.00 41.42 H new ATOM 1503 N HIS A 95 16.489 5.602 -0.364 1.00 25.52 N ATOM 1504 CA HIS A 95 16.931 6.905 -0.881 1.00 73.23 C ATOM 1505 C HIS A 95 18.453 7.059 -0.748 1.00 34.53 C ATOM 1506 O HIS A 95 19.010 6.917 0.341 1.00 62.14 O ATOM 1507 CB HIS A 95 16.222 8.064 -0.160 1.00 72.33 C ATOM 1508 CG HIS A 95 14.805 8.272 -0.600 1.00 22.25 C ATOM 1509 ND1 HIS A 95 13.729 8.212 0.257 1.00 41.52 N ATOM 1510 CD2 HIS A 95 14.291 8.557 -1.821 1.00 74.21 C ATOM 1511 CE1 HIS A 95 12.619 8.447 -0.413 1.00 15.11 C ATOM 1512 NE2 HIS A 95 12.931 8.661 -1.675 1.00 22.42 N ATOM 0 H HIS A 95 17.040 5.260 0.423 1.00 25.52 H new ATOM 0 HA HIS A 95 16.664 6.943 -1.937 1.00 73.23 H new ATOM 0 HB2 HIS A 95 16.235 7.875 0.913 1.00 72.33 H new ATOM 0 HB3 HIS A 95 16.784 8.983 -0.329 1.00 72.33 H new ATOM 0 HD2 HIS A 95 14.848 8.679 -2.738 1.00 74.21 H new ATOM 0 HE1 HIS A 95 11.622 8.462 0.002 1.00 15.11 H new ATOM 0 HE2 HIS A 95 12.269 8.870 -2.422 1.00 22.42 H new ATOM 1521 N HIS A 96 19.118 7.350 -1.863 1.00 43.32 N ATOM 1522 CA HIS A 96 20.573 7.527 -1.885 1.00 32.05 C ATOM 1523 C HIS A 96 20.972 8.895 -1.294 1.00 24.21 C ATOM 1524 O HIS A 96 21.522 9.746 -1.990 1.00 1.42 O ATOM 1525 CB HIS A 96 21.077 7.377 -3.331 1.00 3.42 C ATOM 1526 CG HIS A 96 22.564 7.490 -3.492 1.00 63.41 C ATOM 1527 ND1 HIS A 96 23.439 6.477 -3.167 1.00 12.41 N ATOM 1528 CD2 HIS A 96 23.331 8.505 -3.959 1.00 62.00 C ATOM 1529 CE1 HIS A 96 24.671 6.861 -3.424 1.00 3.10 C ATOM 1530 NE2 HIS A 96 24.634 8.083 -3.905 1.00 3.11 N ATOM 0 H HIS A 96 18.671 7.470 -2.772 1.00 43.32 H new ATOM 0 HA HIS A 96 21.038 6.761 -1.265 1.00 32.05 H new ATOM 0 HB2 HIS A 96 20.756 6.408 -3.714 1.00 3.42 H new ATOM 0 HB3 HIS A 96 20.600 8.138 -3.948 1.00 3.42 H new ATOM 0 HD2 HIS A 96 22.981 9.465 -4.308 1.00 62.00 H new ATOM 0 HE1 HIS A 96 25.562 6.271 -3.266 1.00 3.10 H new ATOM 0 HE2 HIS A 96 25.445 8.630 -4.192 1.00 3.11 H new ATOM 1539 N HIS A 97 20.693 9.085 0.003 1.00 73.52 N ATOM 1540 CA HIS A 97 20.941 10.359 0.705 1.00 52.21 C ATOM 1541 C HIS A 97 20.085 11.511 0.139 1.00 61.13 C ATOM 1542 O HIS A 97 19.196 12.027 0.818 1.00 20.13 O ATOM 1543 CB HIS A 97 22.434 10.724 0.673 1.00 65.44 C ATOM 1544 CG HIS A 97 23.308 9.728 1.375 1.00 0.41 C ATOM 1545 ND1 HIS A 97 23.535 9.753 2.733 1.00 61.25 N ATOM 1546 CD2 HIS A 97 24.007 8.666 0.904 1.00 43.21 C ATOM 1547 CE1 HIS A 97 24.332 8.761 3.067 1.00 70.23 C ATOM 1548 NE2 HIS A 97 24.633 8.084 1.978 1.00 21.41 N ATOM 0 H HIS A 97 20.289 8.362 0.598 1.00 73.52 H new ATOM 0 HA HIS A 97 20.642 10.214 1.743 1.00 52.21 H new ATOM 0 HB2 HIS A 97 22.757 10.811 -0.365 1.00 65.44 H new ATOM 0 HB3 HIS A 97 22.571 11.703 1.132 1.00 65.44 H new ATOM 0 HD2 HIS A 97 24.061 8.339 -0.124 1.00 43.21 H new ATOM 0 HE1 HIS A 97 24.680 8.539 4.065 1.00 70.23 H new ATOM 0 HE2 HIS A 97 25.234 7.261 1.939 1.00 21.41 H new ATOM 1557 N HIS A 98 20.363 11.918 -1.095 1.00 3.41 N ATOM 1558 CA HIS A 98 19.597 12.981 -1.760 1.00 11.24 C ATOM 1559 C HIS A 98 19.329 12.637 -3.242 1.00 25.21 C ATOM 1560 O HIS A 98 20.237 12.837 -4.083 1.00 38.48 O ATOM 1561 CB HIS A 98 20.347 14.315 -1.635 1.00 32.42 C ATOM 1562 CG HIS A 98 19.653 15.467 -2.296 1.00 53.33 C ATOM 1563 ND1 HIS A 98 18.476 16.008 -1.825 1.00 55.44 N ATOM 1564 CD2 HIS A 98 19.971 16.180 -3.403 1.00 43.31 C ATOM 1565 CE1 HIS A 98 18.104 16.998 -2.608 1.00 53.42 C ATOM 1566 NE2 HIS A 98 18.991 17.125 -3.571 1.00 24.34 N ATOM 1567 OXT HIS A 98 18.214 12.163 -3.557 1.00 38.48 O ATOM 0 H HIS A 98 21.116 11.529 -1.662 1.00 3.41 H new ATOM 0 HA HIS A 98 18.629 13.071 -1.268 1.00 11.24 H new ATOM 0 HB2 HIS A 98 20.485 14.545 -0.579 1.00 32.42 H new ATOM 0 HB3 HIS A 98 21.340 14.204 -2.070 1.00 32.42 H new ATOM 0 HD2 HIS A 98 20.834 16.032 -4.035 1.00 43.31 H new ATOM 0 HE1 HIS A 98 17.219 17.604 -2.481 1.00 53.42 H new ATOM 0 HE2 HIS A 98 18.956 17.815 -4.322 1.00 24.34 H new TER 1576 HIS A 98