USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=12 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 74 THR OG1 : rot 180:sc= -0.109 USER MOD Set 1.2: A 75 SER OG : rot 154:sc= 0.78 USER MOD Set 1.3: A 84 ASN : amide:sc= 0.623 K(o=1.3,f=-2!) USER MOD Set 2.1: A 14 ASN : amide:sc= 0.916 K(o=2.2,f=-7!) USER MOD Set 2.2: A 16 LYS NZ :NH3+ -165:sc= 1.26 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 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= -0.489 K(o=-0.49,f=-1.9) USER MOD Single : A 32 THR OG1 : rot -68:sc= 0.356 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.807 K(o=-0.81,f=-0.0047) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 47 THR OG1 : rot 44:sc= 0.706 USER MOD Single : A 49 ASN : amide:sc= -0.941 K(o=-0.94,f=-0.075) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.477 K(o=0.48,f=-6.3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 66 THR OG1 : rot -46:sc= 1.21 USER MOD Single : A 67 ASN : amide:sc= 0.922 K(o=0.92,f=-4.6!) USER MOD Single : A 70 ASN : amide:sc= -0.743 K(o=-0.74,f=-8.1!) USER MOD Single : A 79 GLN : amide:sc=-0.000185 X(o=-0.00019,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.32) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 95 HIS : no HE2:sc= -0.686 K(o=-0.69,f=-1.6) USER MOD Single : A 96 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=-0.01) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.049 46.205 -33.746 1.00 44.01 N ATOM 2 CA GLY A 1 -23.081 45.473 -32.882 1.00 65.31 C ATOM 3 C GLY A 1 -23.410 43.994 -32.760 1.00 44.12 C ATOM 4 O GLY A 1 -23.920 43.542 -31.734 1.00 11.13 O ATOM 0 H1 GLY A 1 -23.780 47.208 -33.796 1.00 44.01 H new ATOM 0 H2 GLY A 1 -24.039 45.796 -34.702 1.00 44.01 H new ATOM 0 H3 GLY A 1 -25.005 46.123 -33.344 1.00 44.01 H new ATOM 0 HA2 GLY A 1 -22.077 45.586 -33.291 1.00 65.31 H new ATOM 0 HA3 GLY A 1 -23.073 45.923 -31.889 1.00 65.31 H new ATOM 10 N ASP A 2 -23.112 43.228 -33.809 1.00 54.34 N ATOM 11 CA ASP A 2 -23.425 41.797 -33.835 1.00 64.11 C ATOM 12 C ASP A 2 -22.242 40.955 -33.327 1.00 12.34 C ATOM 13 O ASP A 2 -21.206 40.851 -33.986 1.00 44.52 O ATOM 14 CB ASP A 2 -23.809 41.370 -35.257 1.00 54.00 C ATOM 15 CG ASP A 2 -24.366 39.956 -35.313 1.00 53.13 C ATOM 16 OD1 ASP A 2 -23.576 39.008 -35.488 1.00 64.45 O ATOM 17 OD2 ASP A 2 -25.596 39.793 -35.182 1.00 15.35 O ATOM 0 H ASP A 2 -22.654 43.573 -34.653 1.00 54.34 H new ATOM 0 HA ASP A 2 -24.269 41.623 -33.167 1.00 64.11 H new ATOM 0 HB2 ASP A 2 -24.550 42.064 -35.653 1.00 54.00 H new ATOM 0 HB3 ASP A 2 -22.933 41.437 -35.902 1.00 54.00 H new ATOM 22 N ARG A 3 -22.400 40.389 -32.137 1.00 4.32 N ATOM 23 CA ARG A 3 -21.421 39.461 -31.564 1.00 51.22 C ATOM 24 C ARG A 3 -22.152 38.345 -30.804 1.00 62.02 C ATOM 25 O ARG A 3 -22.320 38.403 -29.586 1.00 63.54 O ATOM 26 CB ARG A 3 -20.428 40.194 -30.637 1.00 1.52 C ATOM 27 CG ARG A 3 -21.084 41.150 -29.633 1.00 1.35 C ATOM 28 CD ARG A 3 -21.232 42.562 -30.196 1.00 63.43 C ATOM 29 NE ARG A 3 -19.936 43.232 -30.329 1.00 5.22 N ATOM 30 CZ ARG A 3 -19.461 43.715 -31.449 1.00 74.51 C ATOM 31 NH1 ARG A 3 -20.102 43.557 -32.564 1.00 71.23 N ATOM 32 NH2 ARG A 3 -18.328 44.338 -31.451 1.00 43.33 N ATOM 0 H ARG A 3 -23.209 40.557 -31.539 1.00 4.32 H new ATOM 0 HA ARG A 3 -20.843 39.021 -32.377 1.00 51.22 H new ATOM 0 HB2 ARG A 3 -19.848 39.452 -30.088 1.00 1.52 H new ATOM 0 HB3 ARG A 3 -19.725 40.758 -31.251 1.00 1.52 H new ATOM 0 HG2 ARG A 3 -22.066 40.766 -29.356 1.00 1.35 H new ATOM 0 HG3 ARG A 3 -20.486 41.184 -28.722 1.00 1.35 H new ATOM 0 HD2 ARG A 3 -21.719 42.516 -31.170 1.00 63.43 H new ATOM 0 HD3 ARG A 3 -21.879 43.148 -29.543 1.00 63.43 H new ATOM 0 HE ARG A 3 -19.364 43.329 -29.490 1.00 5.22 H new ATOM 0 HH11 ARG A 3 -20.988 43.051 -32.576 1.00 71.23 H new ATOM 0 HH12 ARG A 3 -19.721 43.938 -33.430 1.00 71.23 H new ATOM 0 HH21 ARG A 3 -17.807 44.452 -30.581 1.00 43.33 H new ATOM 0 HH22 ARG A 3 -17.955 44.716 -32.322 1.00 43.33 H new ATOM 46 N ARG A 4 -22.617 37.343 -31.541 1.00 4.20 N ATOM 47 CA ARG A 4 -23.466 36.293 -30.976 1.00 52.23 C ATOM 48 C ARG A 4 -22.652 35.218 -30.242 1.00 24.11 C ATOM 49 O ARG A 4 -22.078 34.314 -30.858 1.00 41.14 O ATOM 50 CB ARG A 4 -24.312 35.668 -32.090 1.00 14.00 C ATOM 51 CG ARG A 4 -25.223 36.676 -32.787 1.00 2.11 C ATOM 52 CD ARG A 4 -25.888 36.082 -34.023 1.00 54.11 C ATOM 53 NE ARG A 4 -24.904 35.638 -35.009 1.00 53.05 N ATOM 54 CZ ARG A 4 -24.813 36.102 -36.227 1.00 72.23 C ATOM 55 NH1 ARG A 4 -25.613 37.027 -36.648 1.00 12.25 N ATOM 56 NH2 ARG A 4 -23.906 35.637 -37.022 1.00 14.10 N ATOM 0 H ARG A 4 -22.421 37.233 -32.536 1.00 4.20 H new ATOM 0 HA ARG A 4 -24.119 36.750 -30.233 1.00 52.23 H new ATOM 0 HB2 ARG A 4 -23.651 35.213 -32.828 1.00 14.00 H new ATOM 0 HB3 ARG A 4 -24.920 34.867 -31.670 1.00 14.00 H new ATOM 0 HG2 ARG A 4 -25.989 37.015 -32.090 1.00 2.11 H new ATOM 0 HG3 ARG A 4 -24.642 37.553 -33.073 1.00 2.11 H new ATOM 0 HD2 ARG A 4 -26.514 35.239 -33.729 1.00 54.11 H new ATOM 0 HD3 ARG A 4 -26.545 36.825 -34.475 1.00 54.11 H new ATOM 0 HE ARG A 4 -24.242 34.915 -34.726 1.00 53.05 H new ATOM 0 HH11 ARG A 4 -26.328 37.405 -36.026 1.00 12.25 H new ATOM 0 HH12 ARG A 4 -25.529 37.379 -37.602 1.00 12.25 H new ATOM 0 HH21 ARG A 4 -23.266 34.912 -36.697 1.00 14.10 H new ATOM 0 HH22 ARG A 4 -23.830 35.995 -37.974 1.00 14.10 H new ATOM 70 N VAL A 5 -22.601 35.331 -28.915 1.00 54.40 N ATOM 71 CA VAL A 5 -21.886 34.366 -28.077 1.00 33.12 C ATOM 72 C VAL A 5 -22.712 33.083 -27.864 1.00 61.03 C ATOM 73 O VAL A 5 -23.929 33.135 -27.655 1.00 30.32 O ATOM 74 CB VAL A 5 -21.513 34.983 -26.698 1.00 50.43 C ATOM 75 CG1 VAL A 5 -22.764 35.407 -25.923 1.00 23.42 C ATOM 76 CG2 VAL A 5 -20.670 34.005 -25.876 1.00 3.23 C ATOM 0 H VAL A 5 -23.049 36.085 -28.394 1.00 54.40 H new ATOM 0 HA VAL A 5 -20.969 34.106 -28.606 1.00 33.12 H new ATOM 0 HB VAL A 5 -20.917 35.877 -26.883 1.00 50.43 H new ATOM 0 HG11 VAL A 5 -22.471 35.834 -24.964 1.00 23.42 H new ATOM 0 HG12 VAL A 5 -23.314 36.151 -26.499 1.00 23.42 H new ATOM 0 HG13 VAL A 5 -23.399 34.538 -25.754 1.00 23.42 H new ATOM 0 HG21 VAL A 5 -20.421 34.457 -24.916 1.00 3.23 H new ATOM 0 HG22 VAL A 5 -21.236 33.088 -25.709 1.00 3.23 H new ATOM 0 HG23 VAL A 5 -19.753 33.772 -26.416 1.00 3.23 H new ATOM 86 N ARG A 6 -22.047 31.935 -27.947 1.00 24.20 N ATOM 87 CA ARG A 6 -22.679 30.637 -27.685 1.00 42.33 C ATOM 88 C ARG A 6 -21.900 29.892 -26.589 1.00 24.54 C ATOM 89 O ARG A 6 -20.805 29.384 -26.825 1.00 64.02 O ATOM 90 CB ARG A 6 -22.742 29.804 -28.979 1.00 14.13 C ATOM 91 CG ARG A 6 -23.520 30.492 -30.104 1.00 42.24 C ATOM 92 CD ARG A 6 -23.517 29.680 -31.398 1.00 45.04 C ATOM 93 NE ARG A 6 -24.234 28.413 -31.270 1.00 24.13 N ATOM 94 CZ ARG A 6 -24.695 27.730 -32.283 1.00 63.11 C ATOM 95 NH1 ARG A 6 -24.519 28.153 -33.496 1.00 53.35 N ATOM 96 NH2 ARG A 6 -25.317 26.612 -32.079 1.00 74.54 N ATOM 0 H ARG A 6 -21.060 31.873 -28.196 1.00 24.20 H new ATOM 0 HA ARG A 6 -23.699 30.797 -27.337 1.00 42.33 H new ATOM 0 HB2 ARG A 6 -21.727 29.599 -29.321 1.00 14.13 H new ATOM 0 HB3 ARG A 6 -23.206 28.842 -28.761 1.00 14.13 H new ATOM 0 HG2 ARG A 6 -24.549 30.655 -29.783 1.00 42.24 H new ATOM 0 HG3 ARG A 6 -23.086 31.474 -30.294 1.00 42.24 H new ATOM 0 HD2 ARG A 6 -23.971 30.271 -32.194 1.00 45.04 H new ATOM 0 HD3 ARG A 6 -22.487 29.482 -31.695 1.00 45.04 H new ATOM 0 HE ARG A 6 -24.383 28.040 -30.333 1.00 24.13 H new ATOM 0 HH11 ARG A 6 -24.017 29.025 -33.664 1.00 53.35 H new ATOM 0 HH12 ARG A 6 -24.882 27.614 -34.282 1.00 53.35 H new ATOM 0 HH21 ARG A 6 -25.446 26.266 -31.128 1.00 74.54 H new ATOM 0 HH22 ARG A 6 -25.678 26.077 -32.869 1.00 74.54 H new ATOM 110 N LEU A 7 -22.470 29.832 -25.389 1.00 12.30 N ATOM 111 CA LEU A 7 -21.756 29.329 -24.216 1.00 61.31 C ATOM 112 C LEU A 7 -22.549 28.223 -23.508 1.00 72.01 C ATOM 113 O LEU A 7 -23.211 28.452 -22.497 1.00 35.31 O ATOM 114 CB LEU A 7 -21.456 30.487 -23.246 1.00 70.54 C ATOM 115 CG LEU A 7 -20.623 30.119 -22.004 1.00 43.01 C ATOM 116 CD1 LEU A 7 -19.244 29.599 -22.407 1.00 34.10 C ATOM 117 CD2 LEU A 7 -20.499 31.321 -21.067 1.00 53.22 C ATOM 0 H LEU A 7 -23.428 30.126 -25.201 1.00 12.30 H new ATOM 0 HA LEU A 7 -20.815 28.894 -24.552 1.00 61.31 H new ATOM 0 HB2 LEU A 7 -20.931 31.269 -23.794 1.00 70.54 H new ATOM 0 HB3 LEU A 7 -22.403 30.912 -22.913 1.00 70.54 H new ATOM 0 HG LEU A 7 -21.139 29.321 -21.471 1.00 43.01 H new ATOM 0 HD11 LEU A 7 -18.675 29.346 -21.512 1.00 34.10 H new ATOM 0 HD12 LEU A 7 -19.357 28.711 -23.028 1.00 34.10 H new ATOM 0 HD13 LEU A 7 -18.715 30.369 -22.968 1.00 34.10 H new ATOM 0 HD21 LEU A 7 -19.907 31.043 -20.195 1.00 53.22 H new ATOM 0 HD22 LEU A 7 -20.009 32.142 -21.591 1.00 53.22 H new ATOM 0 HD23 LEU A 7 -21.492 31.636 -20.746 1.00 53.22 H new ATOM 129 N ILE A 8 -22.516 27.035 -24.090 1.00 51.41 N ATOM 130 CA ILE A 8 -23.113 25.844 -23.476 1.00 5.02 C ATOM 131 C ILE A 8 -22.036 25.032 -22.728 1.00 23.31 C ATOM 132 O ILE A 8 -20.924 24.851 -23.226 1.00 4.43 O ATOM 133 CB ILE A 8 -23.827 24.973 -24.559 1.00 45.51 C ATOM 134 CG1 ILE A 8 -24.574 23.766 -23.938 1.00 12.42 C ATOM 135 CG2 ILE A 8 -22.836 24.514 -25.632 1.00 3.43 C ATOM 136 CD1 ILE A 8 -23.725 22.529 -23.707 1.00 2.22 C ATOM 0 H ILE A 8 -22.079 26.862 -24.995 1.00 51.41 H new ATOM 0 HA ILE A 8 -23.863 26.159 -22.751 1.00 5.02 H new ATOM 0 HB ILE A 8 -24.579 25.603 -25.034 1.00 45.51 H new ATOM 0 HG12 ILE A 8 -25.003 24.076 -22.985 1.00 12.42 H new ATOM 0 HG13 ILE A 8 -25.406 23.500 -24.590 1.00 12.42 H new ATOM 0 HG21 ILE A 8 -23.357 23.909 -26.374 1.00 3.43 H new ATOM 0 HG22 ILE A 8 -22.396 25.385 -26.118 1.00 3.43 H new ATOM 0 HG23 ILE A 8 -22.048 23.920 -25.169 1.00 3.43 H new ATOM 0 HD11 ILE A 8 -24.340 21.742 -23.270 1.00 2.22 H new ATOM 0 HD12 ILE A 8 -23.317 22.185 -24.657 1.00 2.22 H new ATOM 0 HD13 ILE A 8 -22.908 22.770 -23.027 1.00 2.22 H new ATOM 148 N ARG A 9 -22.354 24.566 -21.517 1.00 31.13 N ATOM 149 CA ARG A 9 -21.412 23.756 -20.730 1.00 11.44 C ATOM 150 C ARG A 9 -21.938 22.329 -20.521 1.00 4.03 C ATOM 151 O ARG A 9 -23.142 22.109 -20.388 1.00 65.34 O ATOM 152 CB ARG A 9 -21.128 24.408 -19.369 1.00 43.20 C ATOM 153 CG ARG A 9 -22.349 24.521 -18.461 1.00 71.54 C ATOM 154 CD ARG A 9 -21.966 24.959 -17.052 1.00 42.25 C ATOM 155 NE ARG A 9 -21.278 26.250 -17.038 1.00 13.23 N ATOM 156 CZ ARG A 9 -20.332 26.570 -16.192 1.00 3.33 C ATOM 157 NH1 ARG A 9 -19.911 25.712 -15.316 1.00 74.34 N ATOM 158 NH2 ARG A 9 -19.799 27.744 -16.237 1.00 11.11 N ATOM 0 H ARG A 9 -23.250 24.733 -21.060 1.00 31.13 H new ATOM 0 HA ARG A 9 -20.483 23.703 -21.297 1.00 11.44 H new ATOM 0 HB2 ARG A 9 -20.360 23.830 -18.855 1.00 43.20 H new ATOM 0 HB3 ARG A 9 -20.719 25.405 -19.535 1.00 43.20 H new ATOM 0 HG2 ARG A 9 -23.053 25.237 -18.886 1.00 71.54 H new ATOM 0 HG3 ARG A 9 -22.860 23.559 -18.417 1.00 71.54 H new ATOM 0 HD2 ARG A 9 -22.864 25.022 -16.437 1.00 42.25 H new ATOM 0 HD3 ARG A 9 -21.323 24.203 -16.601 1.00 42.25 H new ATOM 0 HE ARG A 9 -21.553 26.945 -17.732 1.00 13.23 H new ATOM 0 HH11 ARG A 9 -20.318 24.777 -15.281 1.00 74.34 H new ATOM 0 HH12 ARG A 9 -19.173 25.972 -14.661 1.00 74.34 H new ATOM 0 HH21 ARG A 9 -20.115 28.421 -16.931 1.00 11.11 H new ATOM 0 HH22 ARG A 9 -19.062 27.995 -15.578 1.00 11.11 H new ATOM 172 N THR A 10 -21.022 21.367 -20.490 1.00 72.51 N ATOM 173 CA THR A 10 -21.374 19.955 -20.272 1.00 43.41 C ATOM 174 C THR A 10 -20.727 19.417 -18.991 1.00 22.25 C ATOM 175 O THR A 10 -19.806 20.027 -18.443 1.00 41.45 O ATOM 176 CB THR A 10 -20.929 19.064 -21.457 1.00 30.22 C ATOM 177 OG1 THR A 10 -19.500 19.118 -21.616 1.00 3.52 O ATOM 178 CG2 THR A 10 -21.602 19.497 -22.758 1.00 14.42 C ATOM 0 H THR A 10 -20.023 21.534 -20.613 1.00 72.51 H new ATOM 0 HA THR A 10 -22.460 19.917 -20.183 1.00 43.41 H new ATOM 0 HB THR A 10 -21.231 18.041 -21.233 1.00 30.22 H new ATOM 0 HG1 THR A 10 -19.233 18.549 -22.368 1.00 3.52 H new ATOM 0 HG21 THR A 10 -21.269 18.852 -23.572 1.00 14.42 H new ATOM 0 HG22 THR A 10 -22.684 19.418 -22.652 1.00 14.42 H new ATOM 0 HG23 THR A 10 -21.334 20.530 -22.980 1.00 14.42 H new ATOM 186 N ARG A 11 -21.209 18.273 -18.513 1.00 34.11 N ATOM 187 CA ARG A 11 -20.632 17.629 -17.328 1.00 43.04 C ATOM 188 C ARG A 11 -20.720 16.099 -17.424 1.00 43.44 C ATOM 189 O ARG A 11 -21.592 15.558 -18.107 1.00 52.01 O ATOM 190 CB ARG A 11 -21.305 18.154 -16.037 1.00 33.34 C ATOM 191 CG ARG A 11 -22.836 18.048 -15.984 1.00 60.14 C ATOM 192 CD ARG A 11 -23.322 16.617 -15.759 1.00 24.34 C ATOM 193 NE ARG A 11 -24.746 16.555 -15.431 1.00 64.52 N ATOM 194 CZ ARG A 11 -25.535 15.570 -15.769 1.00 32.23 C ATOM 195 NH1 ARG A 11 -25.099 14.593 -16.503 1.00 72.42 N ATOM 196 NH2 ARG A 11 -26.766 15.571 -15.376 1.00 60.24 N ATOM 0 H ARG A 11 -21.996 17.771 -18.924 1.00 34.11 H new ATOM 0 HA ARG A 11 -19.574 17.890 -17.285 1.00 43.04 H new ATOM 0 HB2 ARG A 11 -20.893 17.607 -15.189 1.00 33.34 H new ATOM 0 HB3 ARG A 11 -21.028 19.200 -15.907 1.00 33.34 H new ATOM 0 HG2 ARG A 11 -23.212 18.685 -15.184 1.00 60.14 H new ATOM 0 HG3 ARG A 11 -23.255 18.427 -16.916 1.00 60.14 H new ATOM 0 HD2 ARG A 11 -23.133 16.027 -16.656 1.00 24.34 H new ATOM 0 HD3 ARG A 11 -22.746 16.164 -14.952 1.00 24.34 H new ATOM 0 HE ARG A 11 -25.149 17.330 -14.905 1.00 64.52 H new ATOM 0 HH11 ARG A 11 -24.130 14.588 -16.823 1.00 72.42 H new ATOM 0 HH12 ARG A 11 -25.725 13.830 -16.760 1.00 72.42 H new ATOM 0 HH21 ARG A 11 -27.118 16.339 -14.804 1.00 60.24 H new ATOM 0 HH22 ARG A 11 -27.385 14.804 -15.638 1.00 60.24 H new ATOM 210 N GLY A 12 -19.815 15.407 -16.739 1.00 22.12 N ATOM 211 CA GLY A 12 -19.789 13.947 -16.787 1.00 60.22 C ATOM 212 C GLY A 12 -19.861 13.295 -15.411 1.00 13.50 C ATOM 213 O GLY A 12 -19.972 13.979 -14.391 1.00 71.44 O ATOM 0 H GLY A 12 -19.096 15.827 -16.149 1.00 22.12 H new ATOM 0 HA2 GLY A 12 -20.625 13.596 -17.392 1.00 60.22 H new ATOM 0 HA3 GLY A 12 -18.876 13.623 -17.287 1.00 60.22 H new ATOM 217 N GLY A 13 -19.808 11.965 -15.386 1.00 3.42 N ATOM 218 CA GLY A 13 -19.812 11.227 -14.126 1.00 70.14 C ATOM 219 C GLY A 13 -18.611 10.297 -13.997 1.00 31.53 C ATOM 220 O GLY A 13 -18.213 9.651 -14.970 1.00 20.42 O ATOM 0 H GLY A 13 -19.762 11.379 -16.220 1.00 3.42 H new ATOM 0 HA2 GLY A 13 -19.814 11.932 -13.295 1.00 70.14 H new ATOM 0 HA3 GLY A 13 -20.730 10.644 -14.052 1.00 70.14 H new ATOM 224 N ASN A 14 -18.033 10.218 -12.802 1.00 33.51 N ATOM 225 CA ASN A 14 -16.865 9.365 -12.568 1.00 53.14 C ATOM 226 C ASN A 14 -17.228 7.871 -12.686 1.00 64.54 C ATOM 227 O ASN A 14 -17.636 7.238 -11.713 1.00 4.41 O ATOM 228 CB ASN A 14 -16.257 9.666 -11.191 1.00 4.32 C ATOM 229 CG ASN A 14 -14.989 8.875 -10.920 1.00 11.55 C ATOM 230 OD1 ASN A 14 -15.027 7.780 -10.370 1.00 22.14 O ATOM 231 ND2 ASN A 14 -13.854 9.420 -11.308 1.00 23.30 N ATOM 0 H ASN A 14 -18.351 10.732 -11.980 1.00 33.51 H new ATOM 0 HA ASN A 14 -16.125 9.587 -13.337 1.00 53.14 H new ATOM 0 HB2 ASN A 14 -16.037 10.731 -11.122 1.00 4.32 H new ATOM 0 HB3 ASN A 14 -16.992 9.441 -10.418 1.00 4.32 H new ATOM 0 HD21 ASN A 14 -12.973 8.929 -11.153 1.00 23.30 H new ATOM 0 HD22 ASN A 14 -13.856 10.333 -11.763 1.00 23.30 H new ATOM 238 N THR A 15 -17.101 7.328 -13.895 1.00 73.40 N ATOM 239 CA THR A 15 -17.361 5.904 -14.145 1.00 32.14 C ATOM 240 C THR A 15 -16.102 5.210 -14.682 1.00 71.14 C ATOM 241 O THR A 15 -15.643 5.503 -15.789 1.00 50.25 O ATOM 242 CB THR A 15 -18.528 5.700 -15.150 1.00 72.53 C ATOM 243 OG1 THR A 15 -19.731 6.303 -14.643 1.00 51.25 O ATOM 244 CG2 THR A 15 -18.779 4.218 -15.415 1.00 61.33 C ATOM 0 H THR A 15 -16.818 7.852 -14.723 1.00 73.40 H new ATOM 0 HA THR A 15 -17.645 5.459 -13.191 1.00 32.14 H new ATOM 0 HB THR A 15 -18.244 6.177 -16.088 1.00 72.53 H new ATOM 0 HG1 THR A 15 -20.459 6.170 -15.285 1.00 51.25 H new ATOM 0 HG21 THR A 15 -19.601 4.109 -16.122 1.00 61.33 H new ATOM 0 HG22 THR A 15 -17.879 3.766 -15.832 1.00 61.33 H new ATOM 0 HG23 THR A 15 -19.036 3.720 -14.480 1.00 61.33 H new ATOM 252 N LYS A 16 -15.545 4.290 -13.896 1.00 14.44 N ATOM 253 CA LYS A 16 -14.297 3.614 -14.268 1.00 34.41 C ATOM 254 C LYS A 16 -14.378 2.101 -14.032 1.00 44.04 C ATOM 255 O LYS A 16 -15.160 1.630 -13.207 1.00 22.43 O ATOM 256 CB LYS A 16 -13.102 4.196 -13.492 1.00 61.45 C ATOM 257 CG LYS A 16 -13.128 3.941 -11.981 1.00 54.12 C ATOM 258 CD LYS A 16 -14.157 4.809 -11.258 1.00 14.10 C ATOM 259 CE LYS A 16 -14.164 4.554 -9.752 1.00 3.33 C ATOM 260 NZ LYS A 16 -15.098 5.465 -9.037 1.00 32.43 N ATOM 0 H LYS A 16 -15.934 3.994 -13.001 1.00 14.44 H new ATOM 0 HA LYS A 16 -14.149 3.787 -15.334 1.00 34.41 H new ATOM 0 HB2 LYS A 16 -12.183 3.776 -13.901 1.00 61.45 H new ATOM 0 HB3 LYS A 16 -13.065 5.272 -13.664 1.00 61.45 H new ATOM 0 HG2 LYS A 16 -13.351 2.890 -11.797 1.00 54.12 H new ATOM 0 HG3 LYS A 16 -12.139 4.134 -11.566 1.00 54.12 H new ATOM 0 HD2 LYS A 16 -13.941 5.861 -11.447 1.00 14.10 H new ATOM 0 HD3 LYS A 16 -15.149 4.610 -11.664 1.00 14.10 H new ATOM 0 HE2 LYS A 16 -14.449 3.519 -9.561 1.00 3.33 H new ATOM 0 HE3 LYS A 16 -13.156 4.685 -9.357 1.00 3.33 H new ATOM 0 HZ1 LYS A 16 -14.893 5.442 -8.018 1.00 32.43 H new ATOM 0 HZ2 LYS A 16 -14.977 6.435 -9.392 1.00 32.43 H new ATOM 0 HZ3 LYS A 16 -16.077 5.156 -9.201 1.00 32.43 H new ATOM 274 N VAL A 17 -13.564 1.344 -14.759 1.00 24.22 N ATOM 275 CA VAL A 17 -13.525 -0.115 -14.610 1.00 53.03 C ATOM 276 C VAL A 17 -12.642 -0.531 -13.418 1.00 70.13 C ATOM 277 O VAL A 17 -11.704 0.180 -13.050 1.00 23.51 O ATOM 278 CB VAL A 17 -13.010 -0.794 -15.908 1.00 21.21 C ATOM 279 CG1 VAL A 17 -11.573 -0.378 -16.216 1.00 23.43 C ATOM 280 CG2 VAL A 17 -13.136 -2.317 -15.825 1.00 31.33 C ATOM 0 H VAL A 17 -12.920 1.712 -15.459 1.00 24.22 H new ATOM 0 HA VAL A 17 -14.545 -0.449 -14.420 1.00 53.03 H new ATOM 0 HB VAL A 17 -13.639 -0.453 -16.730 1.00 21.21 H new ATOM 0 HG11 VAL A 17 -11.240 -0.869 -17.130 1.00 23.43 H new ATOM 0 HG12 VAL A 17 -11.527 0.703 -16.348 1.00 23.43 H new ATOM 0 HG13 VAL A 17 -10.925 -0.670 -15.390 1.00 23.43 H new ATOM 0 HG21 VAL A 17 -12.767 -2.763 -16.749 1.00 31.33 H new ATOM 0 HG22 VAL A 17 -12.548 -2.685 -14.984 1.00 31.33 H new ATOM 0 HG23 VAL A 17 -14.182 -2.588 -15.683 1.00 31.33 H new ATOM 290 N ARG A 18 -12.963 -1.670 -12.803 1.00 61.13 N ATOM 291 CA ARG A 18 -12.156 -2.208 -11.698 1.00 72.45 C ATOM 292 C ARG A 18 -10.709 -2.504 -12.131 1.00 2.51 C ATOM 293 O ARG A 18 -10.398 -2.556 -13.324 1.00 12.23 O ATOM 294 CB ARG A 18 -12.788 -3.491 -11.139 1.00 53.21 C ATOM 295 CG ARG A 18 -13.066 -4.564 -12.196 1.00 5.44 C ATOM 296 CD ARG A 18 -12.964 -5.971 -11.612 1.00 71.34 C ATOM 297 NE ARG A 18 -11.571 -6.362 -11.382 1.00 64.00 N ATOM 298 CZ ARG A 18 -11.119 -6.913 -10.289 1.00 75.42 C ATOM 299 NH1 ARG A 18 -11.892 -7.115 -9.271 1.00 41.32 N ATOM 300 NH2 ARG A 18 -9.873 -7.246 -10.210 1.00 1.25 N ATOM 0 H ARG A 18 -13.773 -2.239 -13.048 1.00 61.13 H new ATOM 0 HA ARG A 18 -12.132 -1.441 -10.923 1.00 72.45 H new ATOM 0 HB2 ARG A 18 -12.127 -3.908 -10.379 1.00 53.21 H new ATOM 0 HB3 ARG A 18 -13.724 -3.235 -10.642 1.00 53.21 H new ATOM 0 HG2 ARG A 18 -14.062 -4.414 -12.613 1.00 5.44 H new ATOM 0 HG3 ARG A 18 -12.357 -4.458 -13.017 1.00 5.44 H new ATOM 0 HD2 ARG A 18 -13.515 -6.016 -10.672 1.00 71.34 H new ATOM 0 HD3 ARG A 18 -13.434 -6.682 -12.291 1.00 71.34 H new ATOM 0 HE ARG A 18 -10.903 -6.190 -12.134 1.00 64.00 H new ATOM 0 HH11 ARG A 18 -12.874 -6.842 -9.314 1.00 41.32 H new ATOM 0 HH12 ARG A 18 -11.519 -7.547 -8.426 1.00 41.32 H new ATOM 0 HH21 ARG A 18 -9.249 -7.078 -10.999 1.00 1.25 H new ATOM 0 HH22 ARG A 18 -9.513 -7.677 -9.358 1.00 1.25 H new ATOM 314 N LEU A 19 -9.829 -2.708 -11.151 1.00 22.51 N ATOM 315 CA LEU A 19 -8.424 -3.026 -11.425 1.00 2.13 C ATOM 316 C LEU A 19 -8.299 -4.347 -12.203 1.00 33.52 C ATOM 317 O LEU A 19 -8.607 -5.423 -11.687 1.00 71.52 O ATOM 318 CB LEU A 19 -7.627 -3.079 -10.103 1.00 43.13 C ATOM 319 CG LEU A 19 -6.090 -3.238 -10.230 1.00 10.54 C ATOM 320 CD1 LEU A 19 -5.393 -2.722 -8.974 1.00 22.51 C ATOM 321 CD2 LEU A 19 -5.697 -4.696 -10.479 1.00 13.01 C ATOM 0 H LEU A 19 -10.062 -2.659 -10.159 1.00 22.51 H new ATOM 0 HA LEU A 19 -8.004 -2.238 -12.050 1.00 2.13 H new ATOM 0 HB2 LEU A 19 -7.831 -2.165 -9.544 1.00 43.13 H new ATOM 0 HB3 LEU A 19 -8.008 -3.909 -9.507 1.00 43.13 H new ATOM 0 HG LEU A 19 -5.769 -2.646 -11.087 1.00 10.54 H new ATOM 0 HD11 LEU A 19 -4.315 -2.842 -9.081 1.00 22.51 H new ATOM 0 HD12 LEU A 19 -5.629 -1.667 -8.834 1.00 22.51 H new ATOM 0 HD13 LEU A 19 -5.737 -3.288 -8.108 1.00 22.51 H new ATOM 0 HD21 LEU A 19 -4.613 -4.771 -10.563 1.00 13.01 H new ATOM 0 HD22 LEU A 19 -6.040 -5.312 -9.648 1.00 13.01 H new ATOM 0 HD23 LEU A 19 -6.158 -5.044 -11.404 1.00 13.01 H new ATOM 333 N ALA A 20 -7.863 -4.244 -13.455 1.00 23.33 N ATOM 334 CA ALA A 20 -7.632 -5.420 -14.304 1.00 1.01 C ATOM 335 C ALA A 20 -6.193 -5.437 -14.837 1.00 33.45 C ATOM 336 O ALA A 20 -5.466 -6.418 -14.681 1.00 22.02 O ATOM 337 CB ALA A 20 -8.627 -5.439 -15.463 1.00 54.32 C ATOM 0 H ALA A 20 -7.660 -3.354 -13.911 1.00 23.33 H new ATOM 0 HA ALA A 20 -7.780 -6.313 -13.697 1.00 1.01 H new ATOM 0 HB1 ALA A 20 -8.445 -6.316 -16.085 1.00 54.32 H new ATOM 0 HB2 ALA A 20 -9.643 -5.478 -15.070 1.00 54.32 H new ATOM 0 HB3 ALA A 20 -8.504 -4.537 -16.063 1.00 54.32 H new ATOM 343 N SER A 21 -5.797 -4.349 -15.491 1.00 42.01 N ATOM 344 CA SER A 21 -4.420 -4.187 -15.978 1.00 21.15 C ATOM 345 C SER A 21 -3.742 -2.995 -15.291 1.00 50.21 C ATOM 346 O SER A 21 -2.622 -3.109 -14.787 1.00 75.35 O ATOM 347 CB SER A 21 -4.406 -3.994 -17.501 1.00 63.53 C ATOM 348 OG SER A 21 -4.961 -5.120 -18.166 1.00 13.12 O ATOM 0 H SER A 21 -6.409 -3.560 -15.699 1.00 42.01 H new ATOM 0 HA SER A 21 -3.865 -5.093 -15.735 1.00 21.15 H new ATOM 0 HB2 SER A 21 -4.971 -3.099 -17.762 1.00 63.53 H new ATOM 0 HB3 SER A 21 -3.383 -3.835 -17.841 1.00 63.53 H new ATOM 0 HG SER A 21 -4.942 -4.970 -19.134 1.00 13.12 H new ATOM 354 N ASP A 22 -4.431 -1.854 -15.276 1.00 74.42 N ATOM 355 CA ASP A 22 -3.944 -0.653 -14.587 1.00 2.43 C ATOM 356 C ASP A 22 -3.733 -0.922 -13.086 1.00 14.23 C ATOM 357 O ASP A 22 -4.691 -1.025 -12.319 1.00 75.50 O ATOM 358 CB ASP A 22 -4.934 0.500 -14.785 1.00 33.02 C ATOM 359 CG ASP A 22 -5.103 0.870 -16.247 1.00 12.41 C ATOM 360 OD1 ASP A 22 -5.680 0.061 -17.008 1.00 13.02 O ATOM 361 OD2 ASP A 22 -4.665 1.970 -16.647 1.00 60.45 O ATOM 0 H ASP A 22 -5.334 -1.733 -15.735 1.00 74.42 H new ATOM 0 HA ASP A 22 -2.981 -0.377 -15.018 1.00 2.43 H new ATOM 0 HB2 ASP A 22 -5.902 0.220 -14.369 1.00 33.02 H new ATOM 0 HB3 ASP A 22 -4.589 1.372 -14.230 1.00 33.02 H new ATOM 366 N THR A 23 -2.474 -1.041 -12.677 1.00 75.13 N ATOM 367 CA THR A 23 -2.138 -1.384 -11.289 1.00 44.04 C ATOM 368 C THR A 23 -1.989 -0.134 -10.411 1.00 22.42 C ATOM 369 O THR A 23 -1.075 0.668 -10.602 1.00 22.32 O ATOM 370 CB THR A 23 -0.834 -2.214 -11.222 1.00 34.30 C ATOM 371 OG1 THR A 23 -0.975 -3.408 -12.012 1.00 12.43 O ATOM 372 CG2 THR A 23 -0.494 -2.589 -9.784 1.00 14.35 C ATOM 0 H THR A 23 -1.665 -0.906 -13.283 1.00 75.13 H new ATOM 0 HA THR A 23 -2.966 -1.980 -10.905 1.00 44.04 H new ATOM 0 HB THR A 23 -0.022 -1.604 -11.619 1.00 34.30 H new ATOM 0 HG1 THR A 23 -0.146 -3.929 -11.968 1.00 12.43 H new ATOM 0 HG21 THR A 23 0.427 -3.172 -9.768 1.00 14.35 H new ATOM 0 HG22 THR A 23 -0.360 -1.683 -9.194 1.00 14.35 H new ATOM 0 HG23 THR A 23 -1.305 -3.181 -9.361 1.00 14.35 H new ATOM 380 N ARG A 24 -2.881 0.010 -9.435 1.00 54.01 N ATOM 381 CA ARG A 24 -2.896 1.183 -8.552 1.00 11.02 C ATOM 382 C ARG A 24 -3.434 0.811 -7.160 1.00 72.42 C ATOM 383 O ARG A 24 -4.286 -0.068 -7.035 1.00 3.13 O ATOM 384 CB ARG A 24 -3.756 2.287 -9.186 1.00 54.22 C ATOM 385 CG ARG A 24 -3.841 3.574 -8.369 1.00 13.30 C ATOM 386 CD ARG A 24 -4.717 4.617 -9.060 1.00 53.13 C ATOM 387 NE ARG A 24 -6.051 4.100 -9.363 1.00 1.12 N ATOM 388 CZ ARG A 24 -7.077 4.845 -9.674 1.00 4.10 C ATOM 389 NH1 ARG A 24 -6.972 6.139 -9.711 1.00 51.11 N ATOM 390 NH2 ARG A 24 -8.215 4.291 -9.947 1.00 50.22 N ATOM 0 H ARG A 24 -3.610 -0.674 -9.231 1.00 54.01 H new ATOM 0 HA ARG A 24 -1.876 1.548 -8.428 1.00 11.02 H new ATOM 0 HB2 ARG A 24 -3.353 2.523 -10.171 1.00 54.22 H new ATOM 0 HB3 ARG A 24 -4.764 1.902 -9.338 1.00 54.22 H new ATOM 0 HG2 ARG A 24 -4.246 3.353 -7.381 1.00 13.30 H new ATOM 0 HG3 ARG A 24 -2.840 3.979 -8.220 1.00 13.30 H new ATOM 0 HD2 ARG A 24 -4.806 5.496 -8.422 1.00 53.13 H new ATOM 0 HD3 ARG A 24 -4.236 4.940 -9.983 1.00 53.13 H new ATOM 0 HE ARG A 24 -6.189 3.090 -9.329 1.00 1.12 H new ATOM 0 HH11 ARG A 24 -6.080 6.585 -9.496 1.00 51.11 H new ATOM 0 HH12 ARG A 24 -7.781 6.710 -9.955 1.00 51.11 H new ATOM 0 HH21 ARG A 24 -8.308 3.276 -9.919 1.00 50.22 H new ATOM 0 HH22 ARG A 24 -9.019 4.870 -10.190 1.00 50.22 H new ATOM 404 N ILE A 25 -2.940 1.486 -6.120 1.00 22.13 N ATOM 405 CA ILE A 25 -3.334 1.182 -4.735 1.00 54.31 C ATOM 406 C ILE A 25 -3.444 2.459 -3.870 1.00 51.42 C ATOM 407 O ILE A 25 -2.625 3.376 -3.977 1.00 21.52 O ATOM 408 CB ILE A 25 -2.328 0.193 -4.080 1.00 24.42 C ATOM 409 CG1 ILE A 25 -2.736 -0.132 -2.631 1.00 54.34 C ATOM 410 CG2 ILE A 25 -0.908 0.752 -4.129 1.00 52.12 C ATOM 411 CD1 ILE A 25 -1.840 -1.150 -1.950 1.00 0.45 C ATOM 0 H ILE A 25 -2.266 2.247 -6.206 1.00 22.13 H new ATOM 0 HA ILE A 25 -4.320 0.719 -4.781 1.00 54.31 H new ATOM 0 HB ILE A 25 -2.349 -0.735 -4.652 1.00 24.42 H new ATOM 0 HG12 ILE A 25 -2.731 0.789 -2.048 1.00 54.34 H new ATOM 0 HG13 ILE A 25 -3.760 -0.505 -2.628 1.00 54.34 H new ATOM 0 HG21 ILE A 25 -0.222 0.043 -3.665 1.00 52.12 H new ATOM 0 HG22 ILE A 25 -0.616 0.914 -5.167 1.00 52.12 H new ATOM 0 HG23 ILE A 25 -0.871 1.699 -3.590 1.00 52.12 H new ATOM 0 HD11 ILE A 25 -2.194 -1.324 -0.934 1.00 0.45 H new ATOM 0 HD12 ILE A 25 -1.864 -2.086 -2.508 1.00 0.45 H new ATOM 0 HD13 ILE A 25 -0.818 -0.772 -1.919 1.00 0.45 H new ATOM 423 N ASN A 26 -4.469 2.509 -3.022 1.00 54.43 N ATOM 424 CA ASN A 26 -4.686 3.634 -2.105 1.00 33.01 C ATOM 425 C ASN A 26 -3.852 3.463 -0.825 1.00 72.41 C ATOM 426 O ASN A 26 -4.174 2.648 0.043 1.00 52.11 O ATOM 427 CB ASN A 26 -6.177 3.735 -1.767 1.00 52.21 C ATOM 428 CG ASN A 26 -7.028 3.891 -3.017 1.00 1.10 C ATOM 429 OD1 ASN A 26 -7.349 2.920 -3.689 1.00 30.14 O ATOM 430 ND2 ASN A 26 -7.414 5.110 -3.334 1.00 30.31 N ATOM 0 H ASN A 26 -5.173 1.774 -2.948 1.00 54.43 H new ATOM 0 HA ASN A 26 -4.365 4.555 -2.591 1.00 33.01 H new ATOM 0 HB2 ASN A 26 -6.488 2.843 -1.224 1.00 52.21 H new ATOM 0 HB3 ASN A 26 -6.343 4.585 -1.105 1.00 52.21 H new ATOM 0 HD21 ASN A 26 -7.996 5.263 -4.158 1.00 30.31 H new ATOM 0 HD22 ASN A 26 -7.131 5.901 -2.755 1.00 30.31 H new ATOM 437 N VAL A 27 -2.778 4.235 -0.713 1.00 73.23 N ATOM 438 CA VAL A 27 -1.799 4.065 0.364 1.00 41.34 C ATOM 439 C VAL A 27 -1.910 5.161 1.439 1.00 45.23 C ATOM 440 O VAL A 27 -1.744 6.344 1.155 1.00 75.31 O ATOM 441 CB VAL A 27 -0.363 4.070 -0.211 1.00 45.54 C ATOM 442 CG1 VAL A 27 0.663 3.829 0.890 1.00 54.33 C ATOM 443 CG2 VAL A 27 -0.225 3.029 -1.321 1.00 35.03 C ATOM 0 H VAL A 27 -2.558 4.993 -1.359 1.00 73.23 H new ATOM 0 HA VAL A 27 -2.016 3.106 0.835 1.00 41.34 H new ATOM 0 HB VAL A 27 -0.171 5.053 -0.640 1.00 45.54 H new ATOM 0 HG11 VAL A 27 1.665 3.837 0.461 1.00 54.33 H new ATOM 0 HG12 VAL A 27 0.583 4.616 1.640 1.00 54.33 H new ATOM 0 HG13 VAL A 27 0.476 2.862 1.357 1.00 54.33 H new ATOM 0 HG21 VAL A 27 0.792 3.048 -1.713 1.00 35.03 H new ATOM 0 HG22 VAL A 27 -0.441 2.039 -0.920 1.00 35.03 H new ATOM 0 HG23 VAL A 27 -0.927 3.257 -2.123 1.00 35.03 H new ATOM 453 N VAL A 28 -2.168 4.755 2.678 1.00 61.44 N ATOM 454 CA VAL A 28 -2.248 5.691 3.803 1.00 61.00 C ATOM 455 C VAL A 28 -0.904 5.769 4.548 1.00 22.15 C ATOM 456 O VAL A 28 -0.389 4.754 5.021 1.00 64.42 O ATOM 457 CB VAL A 28 -3.353 5.273 4.807 1.00 54.25 C ATOM 458 CG1 VAL A 28 -3.499 6.309 5.922 1.00 12.33 C ATOM 459 CG2 VAL A 28 -4.683 5.054 4.091 1.00 74.34 C ATOM 0 H VAL A 28 -2.326 3.780 2.933 1.00 61.44 H new ATOM 0 HA VAL A 28 -2.493 6.668 3.388 1.00 61.00 H new ATOM 0 HB VAL A 28 -3.054 4.329 5.262 1.00 54.25 H new ATOM 0 HG11 VAL A 28 -4.280 5.992 6.613 1.00 12.33 H new ATOM 0 HG12 VAL A 28 -2.555 6.401 6.459 1.00 12.33 H new ATOM 0 HG13 VAL A 28 -3.766 7.273 5.490 1.00 12.33 H new ATOM 0 HG21 VAL A 28 -5.443 4.761 4.816 1.00 74.34 H new ATOM 0 HG22 VAL A 28 -4.988 5.978 3.599 1.00 74.34 H new ATOM 0 HG23 VAL A 28 -4.570 4.266 3.346 1.00 74.34 H new ATOM 469 N ASP A 29 -0.337 6.968 4.645 1.00 23.12 N ATOM 470 CA ASP A 29 0.923 7.170 5.364 1.00 2.33 C ATOM 471 C ASP A 29 0.671 7.309 6.878 1.00 50.52 C ATOM 472 O ASP A 29 0.019 8.254 7.319 1.00 32.32 O ATOM 473 CB ASP A 29 1.648 8.409 4.826 1.00 14.23 C ATOM 474 CG ASP A 29 2.955 8.672 5.552 1.00 21.11 C ATOM 475 OD1 ASP A 29 3.822 7.776 5.571 1.00 43.20 O ATOM 476 OD2 ASP A 29 3.120 9.778 6.105 1.00 61.22 O ATOM 0 H ASP A 29 -0.728 7.816 4.236 1.00 23.12 H new ATOM 0 HA ASP A 29 1.555 6.297 5.203 1.00 2.33 H new ATOM 0 HB2 ASP A 29 1.846 8.278 3.762 1.00 14.23 H new ATOM 0 HB3 ASP A 29 0.999 9.279 4.925 1.00 14.23 H new ATOM 481 N PRO A 30 1.190 6.375 7.697 1.00 65.12 N ATOM 482 CA PRO A 30 0.960 6.379 9.153 1.00 24.31 C ATOM 483 C PRO A 30 1.718 7.499 9.884 1.00 71.10 C ATOM 484 O PRO A 30 1.416 7.810 11.038 1.00 15.33 O ATOM 485 CB PRO A 30 1.476 5.000 9.587 1.00 25.23 C ATOM 486 CG PRO A 30 2.525 4.668 8.580 1.00 62.31 C ATOM 487 CD PRO A 30 2.037 5.244 7.277 1.00 25.13 C ATOM 0 HA PRO A 30 -0.086 6.562 9.397 1.00 24.31 H new ATOM 0 HB2 PRO A 30 1.887 5.028 10.596 1.00 25.23 H new ATOM 0 HB3 PRO A 30 0.677 4.258 9.589 1.00 25.23 H new ATOM 0 HG2 PRO A 30 3.487 5.096 8.861 1.00 62.31 H new ATOM 0 HG3 PRO A 30 2.666 3.590 8.503 1.00 62.31 H new ATOM 0 HD2 PRO A 30 2.865 5.574 6.649 1.00 25.13 H new ATOM 0 HD3 PRO A 30 1.472 4.511 6.701 1.00 25.13 H new ATOM 495 N GLU A 31 2.695 8.107 9.213 1.00 14.50 N ATOM 496 CA GLU A 31 3.495 9.178 9.818 1.00 33.04 C ATOM 497 C GLU A 31 2.744 10.519 9.818 1.00 10.00 C ATOM 498 O GLU A 31 2.711 11.223 10.828 1.00 54.02 O ATOM 499 CB GLU A 31 4.823 9.331 9.063 1.00 5.44 C ATOM 500 CG GLU A 31 5.654 8.054 9.004 1.00 0.45 C ATOM 501 CD GLU A 31 6.045 7.537 10.379 1.00 5.52 C ATOM 502 OE1 GLU A 31 6.997 8.085 10.976 1.00 12.10 O ATOM 503 OE2 GLU A 31 5.407 6.584 10.872 1.00 50.44 O ATOM 0 H GLU A 31 2.953 7.879 8.253 1.00 14.50 H new ATOM 0 HA GLU A 31 3.688 8.900 10.854 1.00 33.04 H new ATOM 0 HB2 GLU A 31 4.615 9.664 8.046 1.00 5.44 H new ATOM 0 HB3 GLU A 31 5.412 10.114 9.540 1.00 5.44 H new ATOM 0 HG2 GLU A 31 5.089 7.283 8.479 1.00 0.45 H new ATOM 0 HG3 GLU A 31 6.556 8.241 8.422 1.00 0.45 H new ATOM 510 N THR A 32 2.128 10.859 8.689 1.00 42.13 N ATOM 511 CA THR A 32 1.373 12.119 8.560 1.00 21.23 C ATOM 512 C THR A 32 -0.143 11.889 8.612 1.00 13.41 C ATOM 513 O THR A 32 -0.911 12.816 8.891 1.00 54.13 O ATOM 514 CB THR A 32 1.704 12.839 7.234 1.00 74.00 C ATOM 515 OG1 THR A 32 1.359 11.998 6.127 1.00 3.11 O ATOM 516 CG2 THR A 32 3.184 13.206 7.155 1.00 51.25 C ATOM 0 H THR A 32 2.132 10.285 7.846 1.00 42.13 H new ATOM 0 HA THR A 32 1.674 12.737 9.406 1.00 21.23 H new ATOM 0 HB THR A 32 1.122 13.760 7.196 1.00 74.00 H new ATOM 0 HG1 THR A 32 1.961 11.225 6.104 1.00 3.11 H new ATOM 0 HG21 THR A 32 3.384 13.711 6.210 1.00 51.25 H new ATOM 0 HG22 THR A 32 3.439 13.869 7.982 1.00 51.25 H new ATOM 0 HG23 THR A 32 3.787 12.300 7.217 1.00 51.25 H new ATOM 524 N GLY A 33 -0.570 10.660 8.335 1.00 3.15 N ATOM 525 CA GLY A 33 -1.995 10.341 8.314 1.00 71.32 C ATOM 526 C GLY A 33 -2.679 10.757 7.016 1.00 22.14 C ATOM 527 O GLY A 33 -3.899 10.915 6.971 1.00 71.11 O ATOM 0 H GLY A 33 0.045 9.874 8.123 1.00 3.15 H new ATOM 0 HA2 GLY A 33 -2.124 9.268 8.459 1.00 71.32 H new ATOM 0 HA3 GLY A 33 -2.485 10.837 9.152 1.00 71.32 H new ATOM 531 N LYS A 34 -1.891 10.934 5.957 1.00 11.44 N ATOM 532 CA LYS A 34 -2.420 11.355 4.654 1.00 13.31 C ATOM 533 C LYS A 34 -2.854 10.151 3.803 1.00 21.52 C ATOM 534 O LYS A 34 -2.184 9.113 3.779 1.00 23.34 O ATOM 535 CB LYS A 34 -1.359 12.171 3.894 1.00 35.45 C ATOM 536 CG LYS A 34 -0.117 11.370 3.513 1.00 54.23 C ATOM 537 CD LYS A 34 0.951 12.239 2.857 1.00 30.44 C ATOM 538 CE LYS A 34 2.180 11.423 2.473 1.00 45.12 C ATOM 539 NZ LYS A 34 3.266 12.278 1.932 1.00 65.14 N ATOM 0 H LYS A 34 -0.881 10.793 5.973 1.00 11.44 H new ATOM 0 HA LYS A 34 -3.299 11.973 4.837 1.00 13.31 H new ATOM 0 HB2 LYS A 34 -1.808 12.578 2.988 1.00 35.45 H new ATOM 0 HB3 LYS A 34 -1.058 13.019 4.509 1.00 35.45 H new ATOM 0 HG2 LYS A 34 0.297 10.900 4.405 1.00 54.23 H new ATOM 0 HG3 LYS A 34 -0.399 10.568 2.831 1.00 54.23 H new ATOM 0 HD2 LYS A 34 0.538 12.716 1.968 1.00 30.44 H new ATOM 0 HD3 LYS A 34 1.242 13.037 3.540 1.00 30.44 H new ATOM 0 HE2 LYS A 34 2.545 10.883 3.347 1.00 45.12 H new ATOM 0 HE3 LYS A 34 1.902 10.676 1.730 1.00 45.12 H new ATOM 0 HZ1 LYS A 34 4.083 11.685 1.683 1.00 65.14 H new ATOM 0 HZ2 LYS A 34 2.927 12.774 1.083 1.00 65.14 H new ATOM 0 HZ3 LYS A 34 3.550 12.975 2.650 1.00 65.14 H new ATOM 553 N VAL A 35 -3.981 10.293 3.116 1.00 54.43 N ATOM 554 CA VAL A 35 -4.447 9.271 2.176 1.00 23.21 C ATOM 555 C VAL A 35 -3.821 9.499 0.790 1.00 32.31 C ATOM 556 O VAL A 35 -4.306 10.311 -0.002 1.00 10.21 O ATOM 557 CB VAL A 35 -5.995 9.264 2.053 1.00 5.21 C ATOM 558 CG1 VAL A 35 -6.467 8.142 1.122 1.00 41.34 C ATOM 559 CG2 VAL A 35 -6.644 9.138 3.431 1.00 34.13 C ATOM 0 H VAL A 35 -4.593 11.106 3.190 1.00 54.43 H new ATOM 0 HA VAL A 35 -4.134 8.302 2.566 1.00 23.21 H new ATOM 0 HB VAL A 35 -6.305 10.213 1.616 1.00 5.21 H new ATOM 0 HG11 VAL A 35 -7.555 8.159 1.053 1.00 41.34 H new ATOM 0 HG12 VAL A 35 -6.039 8.288 0.130 1.00 41.34 H new ATOM 0 HG13 VAL A 35 -6.144 7.180 1.519 1.00 41.34 H new ATOM 0 HG21 VAL A 35 -7.729 9.135 3.323 1.00 34.13 H new ATOM 0 HG22 VAL A 35 -6.323 8.208 3.901 1.00 34.13 H new ATOM 0 HG23 VAL A 35 -6.343 9.981 4.053 1.00 34.13 H new ATOM 569 N GLU A 36 -2.724 8.801 0.520 1.00 65.14 N ATOM 570 CA GLU A 36 -1.982 8.954 -0.735 1.00 54.14 C ATOM 571 C GLU A 36 -2.329 7.829 -1.727 1.00 43.35 C ATOM 572 O GLU A 36 -2.940 6.825 -1.361 1.00 73.23 O ATOM 573 CB GLU A 36 -0.469 8.968 -0.435 1.00 54.20 C ATOM 574 CG GLU A 36 0.423 9.248 -1.645 1.00 24.32 C ATOM 575 CD GLU A 36 0.150 10.601 -2.285 1.00 13.43 C ATOM 576 OE1 GLU A 36 0.743 11.607 -1.842 1.00 64.25 O ATOM 577 OE2 GLU A 36 -0.665 10.668 -3.233 1.00 35.24 O ATOM 0 H GLU A 36 -2.322 8.115 1.159 1.00 65.14 H new ATOM 0 HA GLU A 36 -2.267 9.898 -1.199 1.00 54.14 H new ATOM 0 HB2 GLU A 36 -0.271 9.722 0.327 1.00 54.20 H new ATOM 0 HB3 GLU A 36 -0.188 8.004 -0.010 1.00 54.20 H new ATOM 0 HG2 GLU A 36 1.468 9.202 -1.338 1.00 24.32 H new ATOM 0 HG3 GLU A 36 0.275 8.464 -2.388 1.00 24.32 H new ATOM 584 N ILE A 37 -1.952 8.007 -2.989 1.00 65.23 N ATOM 585 CA ILE A 37 -2.187 6.993 -4.021 1.00 51.53 C ATOM 586 C ILE A 37 -0.867 6.583 -4.686 1.00 43.42 C ATOM 587 O ILE A 37 -0.083 7.435 -5.109 1.00 2.01 O ATOM 588 CB ILE A 37 -3.178 7.515 -5.091 1.00 11.51 C ATOM 589 CG1 ILE A 37 -4.507 7.926 -4.430 1.00 40.32 C ATOM 590 CG2 ILE A 37 -3.412 6.461 -6.172 1.00 33.22 C ATOM 591 CD1 ILE A 37 -5.529 8.497 -5.394 1.00 14.23 C ATOM 0 H ILE A 37 -1.480 8.846 -3.326 1.00 65.23 H new ATOM 0 HA ILE A 37 -2.625 6.119 -3.539 1.00 51.53 H new ATOM 0 HB ILE A 37 -2.743 8.393 -5.568 1.00 11.51 H new ATOM 0 HG12 ILE A 37 -4.938 7.056 -3.934 1.00 40.32 H new ATOM 0 HG13 ILE A 37 -4.302 8.665 -3.656 1.00 40.32 H new ATOM 0 HG21 ILE A 37 -4.111 6.849 -6.913 1.00 33.22 H new ATOM 0 HG22 ILE A 37 -2.466 6.221 -6.657 1.00 33.22 H new ATOM 0 HG23 ILE A 37 -3.826 5.561 -5.719 1.00 33.22 H new ATOM 0 HD11 ILE A 37 -6.435 8.761 -4.849 1.00 14.23 H new ATOM 0 HD12 ILE A 37 -5.121 9.387 -5.872 1.00 14.23 H new ATOM 0 HD13 ILE A 37 -5.767 7.754 -6.155 1.00 14.23 H new ATOM 603 N ALA A 38 -0.625 5.278 -4.770 1.00 22.43 N ATOM 604 CA ALA A 38 0.629 4.758 -5.329 1.00 30.02 C ATOM 605 C ALA A 38 0.393 3.638 -6.351 1.00 11.30 C ATOM 606 O ALA A 38 -0.717 3.134 -6.506 1.00 43.52 O ATOM 607 CB ALA A 38 1.536 4.261 -4.208 1.00 1.11 C ATOM 0 H ALA A 38 -1.277 4.558 -4.460 1.00 22.43 H new ATOM 0 HA ALA A 38 1.113 5.580 -5.856 1.00 30.02 H new ATOM 0 HB1 ALA A 38 2.463 3.877 -4.633 1.00 1.11 H new ATOM 0 HB2 ALA A 38 1.761 5.084 -3.530 1.00 1.11 H new ATOM 0 HB3 ALA A 38 1.033 3.466 -3.658 1.00 1.11 H new ATOM 613 N GLU A 39 1.460 3.259 -7.046 1.00 34.12 N ATOM 614 CA GLU A 39 1.414 2.188 -8.045 1.00 50.25 C ATOM 615 C GLU A 39 2.314 1.020 -7.620 1.00 23.11 C ATOM 616 O GLU A 39 3.468 1.224 -7.232 1.00 21.01 O ATOM 617 CB GLU A 39 1.857 2.737 -9.407 1.00 71.32 C ATOM 618 CG GLU A 39 1.003 3.903 -9.886 1.00 72.20 C ATOM 619 CD GLU A 39 1.618 4.644 -11.058 1.00 53.33 C ATOM 620 OE1 GLU A 39 2.548 5.446 -10.834 1.00 72.53 O ATOM 621 OE2 GLU A 39 1.172 4.443 -12.206 1.00 22.53 O ATOM 0 H GLU A 39 2.381 3.682 -6.936 1.00 34.12 H new ATOM 0 HA GLU A 39 0.392 1.819 -8.125 1.00 50.25 H new ATOM 0 HB2 GLU A 39 2.897 3.058 -9.342 1.00 71.32 H new ATOM 0 HB3 GLU A 39 1.816 1.937 -10.146 1.00 71.32 H new ATOM 0 HG2 GLU A 39 0.019 3.532 -10.173 1.00 72.20 H new ATOM 0 HG3 GLU A 39 0.853 4.599 -9.061 1.00 72.20 H new ATOM 628 N ILE A 40 1.781 -0.195 -7.687 1.00 75.25 N ATOM 629 CA ILE A 40 2.502 -1.383 -7.222 1.00 32.33 C ATOM 630 C ILE A 40 3.575 -1.845 -8.226 1.00 25.51 C ATOM 631 O ILE A 40 3.265 -2.263 -9.342 1.00 31.00 O ATOM 632 CB ILE A 40 1.526 -2.558 -6.947 1.00 22.43 C ATOM 633 CG1 ILE A 40 0.439 -2.130 -5.946 1.00 61.31 C ATOM 634 CG2 ILE A 40 2.282 -3.782 -6.433 1.00 52.33 C ATOM 635 CD1 ILE A 40 -0.593 -3.202 -5.657 1.00 40.43 C ATOM 0 H ILE A 40 0.851 -0.387 -8.059 1.00 75.25 H new ATOM 0 HA ILE A 40 2.998 -1.095 -6.295 1.00 32.33 H new ATOM 0 HB ILE A 40 1.043 -2.829 -7.886 1.00 22.43 H new ATOM 0 HG12 ILE A 40 0.916 -1.839 -5.010 1.00 61.31 H new ATOM 0 HG13 ILE A 40 -0.069 -1.247 -6.333 1.00 61.31 H new ATOM 0 HG21 ILE A 40 1.578 -4.593 -6.247 1.00 52.33 H new ATOM 0 HG22 ILE A 40 3.012 -4.099 -7.178 1.00 52.33 H new ATOM 0 HG23 ILE A 40 2.797 -3.529 -5.506 1.00 52.33 H new ATOM 0 HD11 ILE A 40 -1.323 -2.821 -4.943 1.00 40.43 H new ATOM 0 HD12 ILE A 40 -1.100 -3.478 -6.582 1.00 40.43 H new ATOM 0 HD13 ILE A 40 -0.099 -4.079 -5.238 1.00 40.43 H new ATOM 647 N ARG A 41 4.837 -1.756 -7.811 1.00 71.43 N ATOM 648 CA ARG A 41 5.967 -2.275 -8.593 1.00 64.14 C ATOM 649 C ARG A 41 5.972 -3.814 -8.586 1.00 54.12 C ATOM 650 O ARG A 41 6.077 -4.456 -9.632 1.00 23.23 O ATOM 651 CB ARG A 41 7.295 -1.768 -8.001 1.00 13.42 C ATOM 652 CG ARG A 41 7.390 -0.252 -7.833 1.00 41.53 C ATOM 653 CD ARG A 41 7.600 0.489 -9.155 1.00 70.13 C ATOM 654 NE ARG A 41 6.396 0.526 -9.987 1.00 5.23 N ATOM 655 CZ ARG A 41 5.867 1.624 -10.456 1.00 22.25 C ATOM 656 NH1 ARG A 41 6.388 2.781 -10.176 1.00 53.14 N ATOM 657 NH2 ARG A 41 4.823 1.557 -11.218 1.00 32.03 N ATOM 0 H ARG A 41 5.109 -1.325 -6.928 1.00 71.43 H new ATOM 0 HA ARG A 41 5.860 -1.922 -9.619 1.00 64.14 H new ATOM 0 HB2 ARG A 41 7.444 -2.236 -7.028 1.00 13.42 H new ATOM 0 HB3 ARG A 41 8.111 -2.099 -8.643 1.00 13.42 H new ATOM 0 HG2 ARG A 41 6.478 0.113 -7.361 1.00 41.53 H new ATOM 0 HG3 ARG A 41 8.214 -0.019 -7.158 1.00 41.53 H new ATOM 0 HD2 ARG A 41 7.922 1.509 -8.946 1.00 70.13 H new ATOM 0 HD3 ARG A 41 8.405 0.008 -9.711 1.00 70.13 H new ATOM 0 HE ARG A 41 5.943 -0.359 -10.214 1.00 5.23 H new ATOM 0 HH11 ARG A 41 7.218 2.837 -9.585 1.00 53.14 H new ATOM 0 HH12 ARG A 41 5.967 3.633 -10.547 1.00 53.14 H new ATOM 0 HH21 ARG A 41 4.418 0.650 -11.449 1.00 32.03 H new ATOM 0 HH22 ARG A 41 4.405 2.411 -11.587 1.00 32.03 H new ATOM 671 N ASN A 42 5.866 -4.394 -7.386 1.00 4.04 N ATOM 672 CA ASN A 42 5.882 -5.854 -7.202 1.00 31.42 C ATOM 673 C ASN A 42 4.744 -6.298 -6.268 1.00 3.53 C ATOM 674 O ASN A 42 4.577 -5.747 -5.181 1.00 73.42 O ATOM 675 CB ASN A 42 7.226 -6.307 -6.611 1.00 1.15 C ATOM 676 CG ASN A 42 8.426 -5.915 -7.457 1.00 24.24 C ATOM 677 OD1 ASN A 42 9.496 -5.619 -6.933 1.00 72.45 O ATOM 678 ND2 ASN A 42 8.272 -5.918 -8.768 1.00 10.54 N ATOM 0 H ASN A 42 5.767 -3.870 -6.517 1.00 4.04 H new ATOM 0 HA ASN A 42 5.742 -6.315 -8.180 1.00 31.42 H new ATOM 0 HB2 ASN A 42 7.338 -5.878 -5.615 1.00 1.15 H new ATOM 0 HB3 ASN A 42 7.214 -7.390 -6.492 1.00 1.15 H new ATOM 0 HD21 ASN A 42 9.054 -5.670 -9.374 1.00 10.54 H new ATOM 0 HD22 ASN A 42 7.371 -6.168 -9.175 1.00 10.54 H new ATOM 685 N VAL A 43 3.982 -7.307 -6.684 1.00 62.34 N ATOM 686 CA VAL A 43 2.831 -7.790 -5.897 1.00 1.22 C ATOM 687 C VAL A 43 3.228 -8.865 -4.865 1.00 73.52 C ATOM 688 O VAL A 43 2.366 -9.537 -4.299 1.00 42.10 O ATOM 689 CB VAL A 43 1.725 -8.368 -6.820 1.00 43.21 C ATOM 690 CG1 VAL A 43 1.225 -7.308 -7.800 1.00 2.32 C ATOM 691 CG2 VAL A 43 2.221 -9.610 -7.562 1.00 62.40 C ATOM 0 H VAL A 43 4.134 -7.810 -7.558 1.00 62.34 H new ATOM 0 HA VAL A 43 2.451 -6.921 -5.360 1.00 1.22 H new ATOM 0 HB VAL A 43 0.887 -8.668 -6.191 1.00 43.21 H new ATOM 0 HG11 VAL A 43 0.451 -7.737 -8.436 1.00 2.32 H new ATOM 0 HG12 VAL A 43 0.813 -6.465 -7.245 1.00 2.32 H new ATOM 0 HG13 VAL A 43 2.054 -6.965 -8.419 1.00 2.32 H new ATOM 0 HG21 VAL A 43 1.426 -9.994 -8.201 1.00 62.40 H new ATOM 0 HG22 VAL A 43 3.084 -9.348 -8.174 1.00 62.40 H new ATOM 0 HG23 VAL A 43 2.507 -10.375 -6.840 1.00 62.40 H new ATOM 701 N VAL A 44 4.526 -9.009 -4.603 1.00 11.23 N ATOM 702 CA VAL A 44 5.013 -10.071 -3.711 1.00 74.12 C ATOM 703 C VAL A 44 5.884 -9.524 -2.560 1.00 14.04 C ATOM 704 O VAL A 44 6.799 -8.723 -2.772 1.00 62.50 O ATOM 705 CB VAL A 44 5.807 -11.141 -4.512 1.00 2.10 C ATOM 706 CG1 VAL A 44 6.999 -10.518 -5.238 1.00 33.31 C ATOM 707 CG2 VAL A 44 6.252 -12.282 -3.599 1.00 71.31 C ATOM 0 H VAL A 44 5.257 -8.412 -4.990 1.00 11.23 H new ATOM 0 HA VAL A 44 4.132 -10.532 -3.265 1.00 74.12 H new ATOM 0 HB VAL A 44 5.142 -11.555 -5.269 1.00 2.10 H new ATOM 0 HG11 VAL A 44 7.534 -11.291 -5.789 1.00 33.31 H new ATOM 0 HG12 VAL A 44 6.644 -9.757 -5.933 1.00 33.31 H new ATOM 0 HG13 VAL A 44 7.670 -10.061 -4.510 1.00 33.31 H new ATOM 0 HG21 VAL A 44 6.806 -13.019 -4.181 1.00 71.31 H new ATOM 0 HG22 VAL A 44 6.892 -11.888 -2.810 1.00 71.31 H new ATOM 0 HG23 VAL A 44 5.376 -12.755 -3.154 1.00 71.31 H new ATOM 717 N GLU A 45 5.577 -9.967 -1.339 1.00 75.41 N ATOM 718 CA GLU A 45 6.356 -9.609 -0.143 1.00 31.22 C ATOM 719 C GLU A 45 7.468 -10.647 0.121 1.00 75.03 C ATOM 720 O GLU A 45 7.889 -11.359 -0.791 1.00 54.14 O ATOM 721 CB GLU A 45 5.422 -9.518 1.077 1.00 40.13 C ATOM 722 CG GLU A 45 4.620 -10.789 1.346 1.00 32.31 C ATOM 723 CD GLU A 45 4.054 -10.842 2.757 1.00 62.53 C ATOM 724 OE1 GLU A 45 3.043 -10.163 3.036 1.00 45.53 O ATOM 725 OE2 GLU A 45 4.630 -11.560 3.599 1.00 32.30 O ATOM 0 H GLU A 45 4.786 -10.582 -1.148 1.00 75.41 H new ATOM 0 HA GLU A 45 6.826 -8.641 -0.314 1.00 31.22 H new ATOM 0 HB2 GLU A 45 6.017 -9.283 1.960 1.00 40.13 H new ATOM 0 HB3 GLU A 45 4.730 -8.689 0.930 1.00 40.13 H new ATOM 0 HG2 GLU A 45 3.802 -10.855 0.629 1.00 32.31 H new ATOM 0 HG3 GLU A 45 5.258 -11.657 1.183 1.00 32.31 H new ATOM 732 N ASN A 46 7.945 -10.731 1.370 1.00 65.24 N ATOM 733 CA ASN A 46 8.980 -11.707 1.749 1.00 25.40 C ATOM 734 C ASN A 46 8.383 -13.114 1.930 1.00 42.52 C ATOM 735 O ASN A 46 8.473 -13.713 3.002 1.00 3.01 O ATOM 736 CB ASN A 46 9.676 -11.263 3.042 1.00 34.45 C ATOM 737 CG ASN A 46 10.314 -9.895 2.907 1.00 11.32 C ATOM 738 OD1 ASN A 46 11.457 -9.772 2.488 1.00 4.44 O ATOM 739 ND2 ASN A 46 9.588 -8.857 3.264 1.00 21.14 N ATOM 0 H ASN A 46 7.632 -10.135 2.137 1.00 65.24 H new ATOM 0 HA ASN A 46 9.711 -11.751 0.942 1.00 25.40 H new ATOM 0 HB2 ASN A 46 8.951 -11.245 3.856 1.00 34.45 H new ATOM 0 HB3 ASN A 46 10.439 -11.993 3.311 1.00 34.45 H new ATOM 0 HD21 ASN A 46 9.975 -7.916 3.195 1.00 21.14 H new ATOM 0 HD22 ASN A 46 8.638 -8.994 3.609 1.00 21.14 H new ATOM 746 N THR A 47 7.765 -13.630 0.874 1.00 71.32 N ATOM 747 CA THR A 47 7.166 -14.967 0.899 1.00 1.00 C ATOM 748 C THR A 47 8.238 -16.062 0.887 1.00 61.13 C ATOM 749 O THR A 47 8.794 -16.398 -0.163 1.00 25.30 O ATOM 750 CB THR A 47 6.210 -15.187 -0.299 1.00 42.23 C ATOM 751 OG1 THR A 47 6.910 -14.990 -1.539 1.00 51.43 O ATOM 752 CG2 THR A 47 5.018 -14.238 -0.232 1.00 72.43 C ATOM 0 H THR A 47 7.663 -13.143 -0.016 1.00 71.32 H new ATOM 0 HA THR A 47 6.596 -15.032 1.826 1.00 1.00 H new ATOM 0 HB THR A 47 5.843 -16.212 -0.248 1.00 42.23 H new ATOM 0 HG1 THR A 47 7.783 -15.434 -1.496 1.00 51.43 H new ATOM 0 HG21 THR A 47 4.364 -14.415 -1.086 1.00 72.43 H new ATOM 0 HG22 THR A 47 4.465 -14.413 0.691 1.00 72.43 H new ATOM 0 HG23 THR A 47 5.372 -13.207 -0.254 1.00 72.43 H new ATOM 760 N ALA A 48 8.544 -16.607 2.060 1.00 32.31 N ATOM 761 CA ALA A 48 9.504 -17.707 2.167 1.00 42.14 C ATOM 762 C ALA A 48 8.878 -19.023 1.686 1.00 32.12 C ATOM 763 O ALA A 48 8.534 -19.898 2.487 1.00 55.54 O ATOM 764 CB ALA A 48 10.015 -17.842 3.600 1.00 73.53 C ATOM 0 H ALA A 48 8.144 -16.308 2.949 1.00 32.31 H new ATOM 0 HA ALA A 48 10.354 -17.480 1.524 1.00 42.14 H new ATOM 0 HB1 ALA A 48 10.727 -18.665 3.656 1.00 73.53 H new ATOM 0 HB2 ALA A 48 10.506 -16.916 3.900 1.00 73.53 H new ATOM 0 HB3 ALA A 48 9.177 -18.041 4.268 1.00 73.53 H new ATOM 770 N ASN A 49 8.705 -19.148 0.369 1.00 64.02 N ATOM 771 CA ASN A 49 8.055 -20.326 -0.226 1.00 21.55 C ATOM 772 C ASN A 49 8.869 -20.895 -1.413 1.00 11.40 C ATOM 773 O ASN A 49 8.406 -20.882 -2.557 1.00 11.22 O ATOM 774 CB ASN A 49 6.632 -19.961 -0.693 1.00 70.33 C ATOM 775 CG ASN A 49 5.732 -19.466 0.432 1.00 20.03 C ATOM 776 OD1 ASN A 49 4.872 -18.614 0.228 1.00 24.34 O ATOM 777 ND2 ASN A 49 5.906 -19.999 1.623 1.00 71.35 N ATOM 0 H ASN A 49 9.005 -18.449 -0.310 1.00 64.02 H new ATOM 0 HA ASN A 49 8.003 -21.098 0.541 1.00 21.55 H new ATOM 0 HB2 ASN A 49 6.697 -19.191 -1.462 1.00 70.33 H new ATOM 0 HB3 ASN A 49 6.174 -20.835 -1.156 1.00 70.33 H new ATOM 0 HD21 ASN A 49 5.319 -19.706 2.404 1.00 71.35 H new ATOM 0 HD22 ASN A 49 6.628 -20.705 1.765 1.00 71.35 H new ATOM 784 N PRO A 50 10.089 -21.415 -1.163 1.00 34.03 N ATOM 785 CA PRO A 50 10.929 -21.998 -2.228 1.00 12.41 C ATOM 786 C PRO A 50 10.372 -23.338 -2.739 1.00 0.01 C ATOM 787 O PRO A 50 10.258 -24.301 -1.979 1.00 63.14 O ATOM 788 CB PRO A 50 12.286 -22.191 -1.538 1.00 52.52 C ATOM 789 CG PRO A 50 11.954 -22.353 -0.091 1.00 53.12 C ATOM 790 CD PRO A 50 10.743 -21.490 0.160 1.00 51.11 C ATOM 0 HA PRO A 50 10.978 -21.363 -3.113 1.00 12.41 H new ATOM 0 HB2 PRO A 50 12.807 -23.067 -1.926 1.00 52.52 H new ATOM 0 HB3 PRO A 50 12.939 -21.334 -1.701 1.00 52.52 H new ATOM 0 HG2 PRO A 50 11.745 -23.396 0.146 1.00 53.12 H new ATOM 0 HG3 PRO A 50 12.789 -22.044 0.537 1.00 53.12 H new ATOM 0 HD2 PRO A 50 10.085 -21.931 0.908 1.00 51.11 H new ATOM 0 HD3 PRO A 50 11.024 -20.502 0.525 1.00 51.11 H new ATOM 798 N HIS A 51 10.020 -23.386 -4.029 1.00 61.35 N ATOM 799 CA HIS A 51 9.346 -24.553 -4.633 1.00 2.41 C ATOM 800 C HIS A 51 7.895 -24.695 -4.137 1.00 11.30 C ATOM 801 O HIS A 51 7.219 -25.675 -4.444 1.00 24.32 O ATOM 802 CB HIS A 51 10.127 -25.856 -4.374 1.00 31.11 C ATOM 803 CG HIS A 51 11.453 -25.932 -5.072 1.00 21.41 C ATOM 804 ND1 HIS A 51 12.646 -25.600 -4.465 1.00 3.45 N ATOM 805 CD2 HIS A 51 11.773 -26.320 -6.331 1.00 54.14 C ATOM 806 CE1 HIS A 51 13.638 -25.788 -5.312 1.00 42.32 C ATOM 807 NE2 HIS A 51 13.139 -26.223 -6.451 1.00 12.33 N ATOM 0 H HIS A 51 10.191 -22.624 -4.685 1.00 61.35 H new ATOM 0 HA HIS A 51 9.321 -24.377 -5.708 1.00 2.41 H new ATOM 0 HB2 HIS A 51 10.288 -25.962 -3.301 1.00 31.11 H new ATOM 0 HB3 HIS A 51 9.515 -26.701 -4.689 1.00 31.11 H new ATOM 0 HD2 HIS A 51 11.084 -26.645 -7.096 1.00 54.14 H new ATOM 0 HE1 HIS A 51 14.684 -25.615 -5.107 1.00 42.32 H new ATOM 0 HE2 HIS A 51 13.678 -26.451 -7.286 1.00 12.33 H new ATOM 816 N PHE A 52 7.412 -23.710 -3.382 1.00 52.24 N ATOM 817 CA PHE A 52 6.027 -23.715 -2.888 1.00 55.00 C ATOM 818 C PHE A 52 5.239 -22.529 -3.464 1.00 32.31 C ATOM 819 O PHE A 52 4.158 -22.190 -2.976 1.00 31.40 O ATOM 820 CB PHE A 52 6.007 -23.660 -1.350 1.00 53.03 C ATOM 821 CG PHE A 52 6.842 -24.728 -0.687 1.00 2.33 C ATOM 822 CD1 PHE A 52 6.518 -26.074 -0.820 1.00 71.21 C ATOM 823 CD2 PHE A 52 7.956 -24.386 0.069 1.00 43.11 C ATOM 824 CE1 PHE A 52 7.285 -27.049 -0.211 1.00 15.52 C ATOM 825 CE2 PHE A 52 8.724 -25.360 0.679 1.00 3.30 C ATOM 826 CZ PHE A 52 8.390 -26.691 0.536 1.00 14.12 C ATOM 0 H PHE A 52 7.956 -22.896 -3.096 1.00 52.24 H new ATOM 0 HA PHE A 52 5.553 -24.640 -3.217 1.00 55.00 H new ATOM 0 HB2 PHE A 52 6.363 -22.682 -1.027 1.00 53.03 H new ATOM 0 HB3 PHE A 52 4.977 -23.753 -1.007 1.00 53.03 H new ATOM 0 HD1 PHE A 52 5.657 -26.361 -1.406 1.00 71.21 H new ATOM 0 HD2 PHE A 52 8.225 -23.346 0.182 1.00 43.11 H new ATOM 0 HE1 PHE A 52 7.020 -28.090 -0.319 1.00 15.52 H new ATOM 0 HE2 PHE A 52 9.585 -25.079 1.267 1.00 3.30 H new ATOM 0 HZ PHE A 52 8.993 -27.453 1.008 1.00 14.12 H new ATOM 836 N VAL A 53 5.783 -21.924 -4.519 1.00 12.54 N ATOM 837 CA VAL A 53 5.207 -20.721 -5.128 1.00 54.11 C ATOM 838 C VAL A 53 3.741 -20.922 -5.556 1.00 22.34 C ATOM 839 O VAL A 53 3.405 -21.884 -6.247 1.00 71.31 O ATOM 840 CB VAL A 53 6.037 -20.270 -6.358 1.00 20.41 C ATOM 841 CG1 VAL A 53 5.490 -18.968 -6.943 1.00 31.51 C ATOM 842 CG2 VAL A 53 7.513 -20.125 -5.987 1.00 51.52 C ATOM 0 H VAL A 53 6.634 -22.251 -4.977 1.00 12.54 H new ATOM 0 HA VAL A 53 5.235 -19.948 -4.360 1.00 54.11 H new ATOM 0 HB VAL A 53 5.952 -21.040 -7.125 1.00 20.41 H new ATOM 0 HG11 VAL A 53 6.091 -18.675 -7.804 1.00 31.51 H new ATOM 0 HG12 VAL A 53 4.456 -19.115 -7.255 1.00 31.51 H new ATOM 0 HG13 VAL A 53 5.532 -18.184 -6.187 1.00 31.51 H new ATOM 0 HG21 VAL A 53 8.079 -19.808 -6.863 1.00 51.52 H new ATOM 0 HG22 VAL A 53 7.618 -19.380 -5.198 1.00 51.52 H new ATOM 0 HG23 VAL A 53 7.896 -21.083 -5.635 1.00 51.52 H new ATOM 852 N ARG A 54 2.880 -20.000 -5.134 1.00 4.32 N ATOM 853 CA ARG A 54 1.454 -20.042 -5.478 1.00 64.12 C ATOM 854 C ARG A 54 1.101 -18.961 -6.516 1.00 44.51 C ATOM 855 O ARG A 54 1.977 -18.456 -7.222 1.00 62.32 O ATOM 856 CB ARG A 54 0.615 -19.868 -4.206 1.00 52.34 C ATOM 857 CG ARG A 54 0.893 -20.938 -3.156 1.00 52.40 C ATOM 858 CD ARG A 54 0.052 -20.751 -1.900 1.00 71.11 C ATOM 859 NE ARG A 54 0.378 -21.742 -0.877 1.00 14.31 N ATOM 860 CZ ARG A 54 -0.216 -21.832 0.279 1.00 23.01 C ATOM 861 NH1 ARG A 54 -1.162 -21.008 0.606 1.00 62.54 N ATOM 862 NH2 ARG A 54 0.151 -22.739 1.123 1.00 31.45 N ATOM 0 H ARG A 54 3.144 -19.207 -4.549 1.00 4.32 H new ATOM 0 HA ARG A 54 1.230 -21.011 -5.925 1.00 64.12 H new ATOM 0 HB2 ARG A 54 0.815 -18.886 -3.777 1.00 52.34 H new ATOM 0 HB3 ARG A 54 -0.442 -19.892 -4.469 1.00 52.34 H new ATOM 0 HG2 ARG A 54 0.692 -21.921 -3.581 1.00 52.40 H new ATOM 0 HG3 ARG A 54 1.950 -20.916 -2.889 1.00 52.40 H new ATOM 0 HD2 ARG A 54 0.213 -19.750 -1.501 1.00 71.11 H new ATOM 0 HD3 ARG A 54 -1.005 -20.826 -2.156 1.00 71.11 H new ATOM 0 HE ARG A 54 1.122 -22.409 -1.082 1.00 14.31 H new ATOM 0 HH11 ARG A 54 -1.450 -20.278 -0.045 1.00 62.54 H new ATOM 0 HH12 ARG A 54 -1.618 -21.090 1.514 1.00 62.54 H new ATOM 0 HH21 ARG A 54 0.905 -23.383 0.884 1.00 31.45 H new ATOM 0 HH22 ARG A 54 -0.313 -22.811 2.028 1.00 31.45 H new ATOM 876 N ARG A 55 -0.183 -18.622 -6.626 1.00 32.11 N ATOM 877 CA ARG A 55 -0.636 -17.610 -7.590 1.00 24.24 C ATOM 878 C ARG A 55 -0.355 -16.178 -7.097 1.00 73.11 C ATOM 879 O ARG A 55 -0.065 -15.954 -5.922 1.00 11.43 O ATOM 880 CB ARG A 55 -2.135 -17.779 -7.855 1.00 30.43 C ATOM 881 CG ARG A 55 -2.506 -19.137 -8.440 1.00 42.55 C ATOM 882 CD ARG A 55 -4.016 -19.303 -8.568 1.00 41.52 C ATOM 883 NE ARG A 55 -4.694 -19.195 -7.276 1.00 55.51 N ATOM 884 CZ ARG A 55 -5.573 -20.051 -6.831 1.00 33.45 C ATOM 885 NH1 ARG A 55 -5.913 -21.082 -7.534 1.00 31.53 N ATOM 886 NH2 ARG A 55 -6.123 -19.863 -5.680 1.00 3.01 N ATOM 0 H ARG A 55 -0.929 -19.030 -6.063 1.00 32.11 H new ATOM 0 HA ARG A 55 -0.075 -17.760 -8.513 1.00 24.24 H new ATOM 0 HB2 ARG A 55 -2.678 -17.635 -6.921 1.00 30.43 H new ATOM 0 HB3 ARG A 55 -2.464 -16.997 -8.539 1.00 30.43 H new ATOM 0 HG2 ARG A 55 -2.043 -19.249 -9.420 1.00 42.55 H new ATOM 0 HG3 ARG A 55 -2.106 -19.928 -7.806 1.00 42.55 H new ATOM 0 HD2 ARG A 55 -4.407 -18.545 -9.246 1.00 41.52 H new ATOM 0 HD3 ARG A 55 -4.237 -20.273 -9.013 1.00 41.52 H new ATOM 0 HE ARG A 55 -4.464 -18.397 -6.683 1.00 55.51 H new ATOM 0 HH11 ARG A 55 -5.493 -21.235 -8.451 1.00 31.53 H new ATOM 0 HH12 ARG A 55 -6.602 -21.742 -7.172 1.00 31.53 H new ATOM 0 HH21 ARG A 55 -5.871 -19.048 -5.121 1.00 3.01 H new ATOM 0 HH22 ARG A 55 -6.810 -20.529 -5.328 1.00 3.01 H new ATOM 900 N ASN A 56 -0.467 -15.211 -8.008 1.00 74.54 N ATOM 901 CA ASN A 56 -0.258 -13.789 -7.689 1.00 43.15 C ATOM 902 C ASN A 56 -1.479 -13.178 -6.967 1.00 35.02 C ATOM 903 O ASN A 56 -1.960 -12.103 -7.334 1.00 45.20 O ATOM 904 CB ASN A 56 0.044 -13.006 -8.980 1.00 5.14 C ATOM 905 CG ASN A 56 -1.014 -13.204 -10.057 1.00 62.31 C ATOM 906 OD1 ASN A 56 -1.612 -14.268 -10.175 1.00 65.41 O ATOM 907 ND2 ASN A 56 -1.256 -12.181 -10.852 1.00 61.25 N ATOM 0 H ASN A 56 -0.704 -15.385 -8.985 1.00 74.54 H new ATOM 0 HA ASN A 56 0.592 -13.718 -7.011 1.00 43.15 H new ATOM 0 HB2 ASN A 56 0.121 -11.944 -8.745 1.00 5.14 H new ATOM 0 HB3 ASN A 56 1.013 -13.318 -9.369 1.00 5.14 H new ATOM 0 HD21 ASN A 56 -1.956 -12.262 -11.589 1.00 61.25 H new ATOM 0 HD22 ASN A 56 -0.743 -11.308 -10.730 1.00 61.25 H new ATOM 914 N ILE A 57 -1.961 -13.859 -5.929 1.00 55.03 N ATOM 915 CA ILE A 57 -3.136 -13.406 -5.181 1.00 55.52 C ATOM 916 C ILE A 57 -2.739 -12.530 -3.978 1.00 10.55 C ATOM 917 O ILE A 57 -2.214 -13.015 -2.972 1.00 33.33 O ATOM 918 CB ILE A 57 -4.005 -14.609 -4.710 1.00 43.04 C ATOM 919 CG1 ILE A 57 -5.197 -14.133 -3.858 1.00 65.14 C ATOM 920 CG2 ILE A 57 -3.163 -15.633 -3.945 1.00 33.04 C ATOM 921 CD1 ILE A 57 -6.164 -13.234 -4.603 1.00 62.14 C ATOM 0 H ILE A 57 -1.556 -14.729 -5.585 1.00 55.03 H new ATOM 0 HA ILE A 57 -3.732 -12.797 -5.861 1.00 55.52 H new ATOM 0 HB ILE A 57 -4.402 -15.098 -5.600 1.00 43.04 H new ATOM 0 HG12 ILE A 57 -5.738 -15.004 -3.488 1.00 65.14 H new ATOM 0 HG13 ILE A 57 -4.818 -13.599 -2.986 1.00 65.14 H new ATOM 0 HG21 ILE A 57 -3.797 -16.462 -3.629 1.00 33.04 H new ATOM 0 HG22 ILE A 57 -2.371 -16.009 -4.592 1.00 33.04 H new ATOM 0 HG23 ILE A 57 -2.721 -15.159 -3.069 1.00 33.04 H new ATOM 0 HD11 ILE A 57 -6.975 -12.941 -3.937 1.00 62.14 H new ATOM 0 HD12 ILE A 57 -5.640 -12.344 -4.950 1.00 62.14 H new ATOM 0 HD13 ILE A 57 -6.573 -13.770 -5.459 1.00 62.14 H new ATOM 933 N ILE A 58 -2.971 -11.227 -4.104 1.00 63.25 N ATOM 934 CA ILE A 58 -2.695 -10.284 -3.018 1.00 74.44 C ATOM 935 C ILE A 58 -3.699 -10.467 -1.867 1.00 61.43 C ATOM 936 O ILE A 58 -4.862 -10.087 -1.975 1.00 63.31 O ATOM 937 CB ILE A 58 -2.743 -8.814 -3.520 1.00 74.10 C ATOM 938 CG1 ILE A 58 -1.724 -8.602 -4.656 1.00 51.23 C ATOM 939 CG2 ILE A 58 -2.481 -7.837 -2.370 1.00 25.34 C ATOM 940 CD1 ILE A 58 -1.737 -7.205 -5.243 1.00 60.31 C ATOM 0 H ILE A 58 -3.350 -10.797 -4.948 1.00 63.25 H new ATOM 0 HA ILE A 58 -1.690 -10.495 -2.653 1.00 74.44 H new ATOM 0 HB ILE A 58 -3.742 -8.617 -3.909 1.00 74.10 H new ATOM 0 HG12 ILE A 58 -0.724 -8.817 -4.278 1.00 51.23 H new ATOM 0 HG13 ILE A 58 -1.926 -9.321 -5.450 1.00 51.23 H new ATOM 0 HG21 ILE A 58 -2.520 -6.814 -2.745 1.00 25.34 H new ATOM 0 HG22 ILE A 58 -3.241 -7.970 -1.600 1.00 25.34 H new ATOM 0 HG23 ILE A 58 -1.496 -8.031 -1.945 1.00 25.34 H new ATOM 0 HD11 ILE A 58 -0.992 -7.137 -6.036 1.00 60.31 H new ATOM 0 HD12 ILE A 58 -2.724 -6.992 -5.653 1.00 60.31 H new ATOM 0 HD13 ILE A 58 -1.504 -6.480 -4.463 1.00 60.31 H new ATOM 952 N THR A 59 -3.254 -11.066 -0.770 1.00 23.42 N ATOM 953 CA THR A 59 -4.138 -11.316 0.375 1.00 4.54 C ATOM 954 C THR A 59 -4.179 -10.123 1.343 1.00 13.04 C ATOM 955 O THR A 59 -3.335 -9.227 1.284 1.00 50.51 O ATOM 956 CB THR A 59 -3.712 -12.578 1.160 1.00 73.34 C ATOM 957 OG1 THR A 59 -4.664 -12.852 2.203 1.00 34.43 O ATOM 958 CG2 THR A 59 -2.319 -12.408 1.767 1.00 51.41 C ATOM 0 H THR A 59 -2.294 -11.388 -0.643 1.00 23.42 H new ATOM 0 HA THR A 59 -5.133 -11.468 -0.043 1.00 4.54 H new ATOM 0 HB THR A 59 -3.682 -13.415 0.462 1.00 73.34 H new ATOM 0 HG1 THR A 59 -4.389 -13.654 2.695 1.00 34.43 H new ATOM 0 HG21 THR A 59 -2.047 -13.312 2.313 1.00 51.41 H new ATOM 0 HG22 THR A 59 -1.595 -12.233 0.972 1.00 51.41 H new ATOM 0 HG23 THR A 59 -2.321 -11.558 2.450 1.00 51.41 H new ATOM 966 N ARG A 60 -5.159 -10.125 2.245 1.00 1.34 N ATOM 967 CA ARG A 60 -5.292 -9.057 3.240 1.00 30.34 C ATOM 968 C ARG A 60 -4.128 -9.101 4.243 1.00 1.50 C ATOM 969 O ARG A 60 -3.968 -10.074 4.983 1.00 44.12 O ATOM 970 CB ARG A 60 -6.635 -9.183 3.974 1.00 53.14 C ATOM 971 CG ARG A 60 -6.856 -8.123 5.047 1.00 22.34 C ATOM 972 CD ARG A 60 -8.220 -8.268 5.715 1.00 52.14 C ATOM 973 NE ARG A 60 -8.416 -7.279 6.772 1.00 11.22 N ATOM 974 CZ ARG A 60 -9.220 -7.442 7.788 1.00 4.11 C ATOM 975 NH1 ARG A 60 -9.962 -8.500 7.880 1.00 11.24 N ATOM 976 NH2 ARG A 60 -9.303 -6.530 8.698 1.00 61.21 N ATOM 0 H ARG A 60 -5.872 -10.851 2.309 1.00 1.34 H new ATOM 0 HA ARG A 60 -5.262 -8.098 2.724 1.00 30.34 H new ATOM 0 HB2 ARG A 60 -7.443 -9.122 3.245 1.00 53.14 H new ATOM 0 HB3 ARG A 60 -6.695 -10.169 4.434 1.00 53.14 H new ATOM 0 HG2 ARG A 60 -6.072 -8.200 5.801 1.00 22.34 H new ATOM 0 HG3 ARG A 60 -6.773 -7.132 4.601 1.00 22.34 H new ATOM 0 HD2 ARG A 60 -9.005 -8.159 4.966 1.00 52.14 H new ATOM 0 HD3 ARG A 60 -8.315 -9.270 6.133 1.00 52.14 H new ATOM 0 HE ARG A 60 -7.892 -6.406 6.713 1.00 11.22 H new ATOM 0 HH11 ARG A 60 -9.922 -9.216 7.155 1.00 11.24 H new ATOM 0 HH12 ARG A 60 -10.586 -8.617 8.678 1.00 11.24 H new ATOM 0 HH21 ARG A 60 -8.741 -5.682 8.623 1.00 61.21 H new ATOM 0 HH22 ARG A 60 -9.931 -6.657 9.492 1.00 61.21 H new ATOM 990 N GLY A 61 -3.321 -8.045 4.263 1.00 64.32 N ATOM 991 CA GLY A 61 -2.145 -8.006 5.127 1.00 72.32 C ATOM 992 C GLY A 61 -0.841 -8.224 4.366 1.00 70.32 C ATOM 993 O GLY A 61 0.247 -8.106 4.936 1.00 30.25 O ATOM 0 H GLY A 61 -3.458 -7.209 3.695 1.00 64.32 H new ATOM 0 HA2 GLY A 61 -2.106 -7.043 5.636 1.00 72.32 H new ATOM 0 HA3 GLY A 61 -2.242 -8.770 5.898 1.00 72.32 H new ATOM 997 N ALA A 62 -0.949 -8.553 3.077 1.00 31.45 N ATOM 998 CA ALA A 62 0.230 -8.760 2.228 1.00 13.11 C ATOM 999 C ALA A 62 0.935 -7.432 1.926 1.00 63.31 C ATOM 1000 O ALA A 62 0.288 -6.419 1.674 1.00 22.12 O ATOM 1001 CB ALA A 62 -0.166 -9.458 0.929 1.00 70.44 C ATOM 0 H ALA A 62 -1.840 -8.682 2.597 1.00 31.45 H new ATOM 0 HA ALA A 62 0.928 -9.397 2.771 1.00 13.11 H new ATOM 0 HB1 ALA A 62 0.719 -9.604 0.310 1.00 70.44 H new ATOM 0 HB2 ALA A 62 -0.613 -10.425 1.157 1.00 70.44 H new ATOM 0 HB3 ALA A 62 -0.887 -8.843 0.391 1.00 70.44 H new ATOM 1007 N VAL A 63 2.261 -7.439 1.960 1.00 14.33 N ATOM 1008 CA VAL A 63 3.039 -6.224 1.702 1.00 42.10 C ATOM 1009 C VAL A 63 3.506 -6.151 0.240 1.00 24.14 C ATOM 1010 O VAL A 63 4.282 -6.988 -0.220 1.00 34.13 O ATOM 1011 CB VAL A 63 4.262 -6.137 2.644 1.00 0.32 C ATOM 1012 CG1 VAL A 63 5.045 -4.845 2.409 1.00 22.12 C ATOM 1013 CG2 VAL A 63 3.817 -6.250 4.100 1.00 60.34 C ATOM 0 H VAL A 63 2.823 -8.266 2.162 1.00 14.33 H new ATOM 0 HA VAL A 63 2.380 -5.377 1.896 1.00 42.10 H new ATOM 0 HB VAL A 63 4.928 -6.971 2.421 1.00 0.32 H new ATOM 0 HG11 VAL A 63 5.900 -4.810 3.085 1.00 22.12 H new ATOM 0 HG12 VAL A 63 5.396 -4.815 1.378 1.00 22.12 H new ATOM 0 HG13 VAL A 63 4.398 -3.988 2.597 1.00 22.12 H new ATOM 0 HG21 VAL A 63 4.688 -6.187 4.753 1.00 60.34 H new ATOM 0 HG22 VAL A 63 3.129 -5.438 4.334 1.00 60.34 H new ATOM 0 HG23 VAL A 63 3.316 -7.206 4.254 1.00 60.34 H new ATOM 1023 N VAL A 64 3.027 -5.145 -0.484 1.00 32.21 N ATOM 1024 CA VAL A 64 3.394 -4.961 -1.890 1.00 40.02 C ATOM 1025 C VAL A 64 4.420 -3.828 -2.066 1.00 2.31 C ATOM 1026 O VAL A 64 4.434 -2.857 -1.306 1.00 11.35 O ATOM 1027 CB VAL A 64 2.150 -4.665 -2.766 1.00 13.51 C ATOM 1028 CG1 VAL A 64 1.181 -5.848 -2.746 1.00 44.14 C ATOM 1029 CG2 VAL A 64 1.453 -3.381 -2.311 1.00 50.32 C ATOM 0 H VAL A 64 2.383 -4.442 -0.123 1.00 32.21 H new ATOM 0 HA VAL A 64 3.845 -5.898 -2.218 1.00 40.02 H new ATOM 0 HB VAL A 64 2.486 -4.518 -3.792 1.00 13.51 H new ATOM 0 HG11 VAL A 64 0.315 -5.619 -3.367 1.00 44.14 H new ATOM 0 HG12 VAL A 64 1.682 -6.735 -3.134 1.00 44.14 H new ATOM 0 HG13 VAL A 64 0.855 -6.034 -1.723 1.00 44.14 H new ATOM 0 HG21 VAL A 64 0.584 -3.196 -2.942 1.00 50.32 H new ATOM 0 HG22 VAL A 64 1.133 -3.488 -1.275 1.00 50.32 H new ATOM 0 HG23 VAL A 64 2.145 -2.543 -2.392 1.00 50.32 H new ATOM 1039 N GLU A 65 5.283 -3.972 -3.064 1.00 71.33 N ATOM 1040 CA GLU A 65 6.290 -2.953 -3.380 1.00 31.14 C ATOM 1041 C GLU A 65 5.685 -1.875 -4.290 1.00 54.34 C ATOM 1042 O GLU A 65 5.101 -2.199 -5.321 1.00 61.51 O ATOM 1043 CB GLU A 65 7.493 -3.608 -4.074 1.00 31.14 C ATOM 1044 CG GLU A 65 8.655 -2.657 -4.352 1.00 4.34 C ATOM 1045 CD GLU A 65 9.345 -2.183 -3.081 1.00 15.43 C ATOM 1046 OE1 GLU A 65 10.232 -2.906 -2.581 1.00 2.02 O ATOM 1047 OE2 GLU A 65 9.004 -1.092 -2.580 1.00 73.23 O ATOM 0 H GLU A 65 5.310 -4.788 -3.675 1.00 71.33 H new ATOM 0 HA GLU A 65 6.622 -2.485 -2.453 1.00 31.14 H new ATOM 0 HB2 GLU A 65 7.852 -4.429 -3.454 1.00 31.14 H new ATOM 0 HB3 GLU A 65 7.161 -4.042 -5.017 1.00 31.14 H new ATOM 0 HG2 GLU A 65 9.383 -3.157 -4.991 1.00 4.34 H new ATOM 0 HG3 GLU A 65 8.287 -1.792 -4.904 1.00 4.34 H new ATOM 1054 N THR A 66 5.819 -0.602 -3.917 1.00 11.04 N ATOM 1055 CA THR A 66 5.231 0.504 -4.697 1.00 20.55 C ATOM 1056 C THR A 66 6.258 1.605 -4.987 1.00 71.33 C ATOM 1057 O THR A 66 7.387 1.562 -4.498 1.00 51.25 O ATOM 1058 CB THR A 66 4.028 1.157 -3.969 1.00 45.10 C ATOM 1059 OG1 THR A 66 4.483 1.853 -2.798 1.00 72.43 O ATOM 1060 CG2 THR A 66 2.983 0.116 -3.577 1.00 14.51 C ATOM 0 H THR A 66 6.326 -0.305 -3.084 1.00 11.04 H new ATOM 0 HA THR A 66 4.894 0.054 -5.631 1.00 20.55 H new ATOM 0 HB THR A 66 3.562 1.863 -4.657 1.00 45.10 H new ATOM 0 HG1 THR A 66 5.110 1.285 -2.303 1.00 72.43 H new ATOM 0 HG21 THR A 66 2.153 0.607 -3.069 1.00 14.51 H new ATOM 0 HG22 THR A 66 2.615 -0.385 -4.472 1.00 14.51 H new ATOM 0 HG23 THR A 66 3.434 -0.619 -2.910 1.00 14.51 H new ATOM 1068 N ASN A 67 5.859 2.603 -5.779 1.00 72.01 N ATOM 1069 CA ASN A 67 6.747 3.732 -6.101 1.00 20.33 C ATOM 1070 C ASN A 67 7.096 4.557 -4.848 1.00 3.25 C ATOM 1071 O ASN A 67 8.060 5.322 -4.849 1.00 12.11 O ATOM 1072 CB ASN A 67 6.115 4.634 -7.169 1.00 71.41 C ATOM 1073 CG ASN A 67 4.870 5.352 -6.678 1.00 55.02 C ATOM 1074 OD1 ASN A 67 3.766 4.833 -6.770 1.00 64.42 O ATOM 1075 ND2 ASN A 67 5.033 6.555 -6.164 1.00 24.02 N ATOM 0 H ASN A 67 4.935 2.656 -6.208 1.00 72.01 H new ATOM 0 HA ASN A 67 7.673 3.313 -6.496 1.00 20.33 H new ATOM 0 HB2 ASN A 67 6.849 5.372 -7.494 1.00 71.41 H new ATOM 0 HB3 ASN A 67 5.860 4.032 -8.041 1.00 71.41 H new ATOM 0 HD21 ASN A 67 4.225 7.080 -5.829 1.00 24.02 H new ATOM 0 HD22 ASN A 67 5.967 6.960 -6.101 1.00 24.02 H new ATOM 1082 N LEU A 68 6.299 4.405 -3.791 1.00 15.01 N ATOM 1083 CA LEU A 68 6.564 5.082 -2.514 1.00 1.11 C ATOM 1084 C LEU A 68 7.421 4.202 -1.586 1.00 13.45 C ATOM 1085 O LEU A 68 8.168 4.707 -0.742 1.00 34.31 O ATOM 1086 CB LEU A 68 5.244 5.434 -1.812 1.00 14.00 C ATOM 1087 CG LEU A 68 4.300 6.369 -2.589 1.00 12.15 C ATOM 1088 CD1 LEU A 68 3.022 6.627 -1.791 1.00 73.03 C ATOM 1089 CD2 LEU A 68 4.999 7.684 -2.933 1.00 5.04 C ATOM 0 H LEU A 68 5.464 3.820 -3.790 1.00 15.01 H new ATOM 0 HA LEU A 68 7.115 5.997 -2.731 1.00 1.11 H new ATOM 0 HB2 LEU A 68 4.711 4.508 -1.596 1.00 14.00 H new ATOM 0 HB3 LEU A 68 5.477 5.898 -0.854 1.00 14.00 H new ATOM 0 HG LEU A 68 4.027 5.878 -3.523 1.00 12.15 H new ATOM 0 HD11 LEU A 68 2.367 7.290 -2.357 1.00 73.03 H new ATOM 0 HD12 LEU A 68 2.511 5.682 -1.608 1.00 73.03 H new ATOM 0 HD13 LEU A 68 3.275 7.093 -0.839 1.00 73.03 H new ATOM 0 HD21 LEU A 68 4.312 8.328 -3.482 1.00 5.04 H new ATOM 0 HD22 LEU A 68 5.309 8.183 -2.015 1.00 5.04 H new ATOM 0 HD23 LEU A 68 5.875 7.480 -3.548 1.00 5.04 H new ATOM 1101 N GLY A 69 7.306 2.888 -1.759 1.00 33.44 N ATOM 1102 CA GLY A 69 7.992 1.936 -0.894 1.00 22.42 C ATOM 1103 C GLY A 69 7.119 0.737 -0.550 1.00 23.44 C ATOM 1104 O GLY A 69 6.253 0.345 -1.336 1.00 24.21 O ATOM 0 H GLY A 69 6.742 2.459 -2.493 1.00 33.44 H new ATOM 0 HA2 GLY A 69 8.902 1.591 -1.386 1.00 22.42 H new ATOM 0 HA3 GLY A 69 8.296 2.437 0.025 1.00 22.42 H new ATOM 1108 N ASN A 70 7.334 0.155 0.626 1.00 12.03 N ATOM 1109 CA ASN A 70 6.561 -1.013 1.060 1.00 11.13 C ATOM 1110 C ASN A 70 5.165 -0.603 1.560 1.00 4.04 C ATOM 1111 O ASN A 70 5.029 0.285 2.399 1.00 54.15 O ATOM 1112 CB ASN A 70 7.309 -1.761 2.171 1.00 22.01 C ATOM 1113 CG ASN A 70 8.738 -2.113 1.791 1.00 1.13 C ATOM 1114 OD1 ASN A 70 9.616 -2.180 2.646 1.00 74.12 O ATOM 1115 ND2 ASN A 70 8.988 -2.329 0.513 1.00 1.22 N ATOM 0 H ASN A 70 8.035 0.469 1.297 1.00 12.03 H new ATOM 0 HA ASN A 70 6.438 -1.671 0.199 1.00 11.13 H new ATOM 0 HB2 ASN A 70 7.319 -1.147 3.072 1.00 22.01 H new ATOM 0 HB3 ASN A 70 6.768 -2.675 2.414 1.00 22.01 H new ATOM 0 HD21 ASN A 70 9.934 -2.560 0.210 1.00 1.22 H new ATOM 0 HD22 ASN A 70 8.235 -2.265 -0.172 1.00 1.22 H new ATOM 1122 N VAL A 71 4.127 -1.251 1.043 1.00 2.32 N ATOM 1123 CA VAL A 71 2.748 -0.953 1.451 1.00 2.22 C ATOM 1124 C VAL A 71 2.006 -2.218 1.907 1.00 73.23 C ATOM 1125 O VAL A 71 1.838 -3.163 1.137 1.00 21.13 O ATOM 1126 CB VAL A 71 1.955 -0.283 0.300 1.00 51.20 C ATOM 1127 CG1 VAL A 71 0.512 -0.003 0.720 1.00 63.52 C ATOM 1128 CG2 VAL A 71 2.646 1.003 -0.147 1.00 14.44 C ATOM 0 H VAL A 71 4.208 -1.986 0.341 1.00 2.32 H new ATOM 0 HA VAL A 71 2.813 -0.262 2.292 1.00 2.22 H new ATOM 0 HB VAL A 71 1.931 -0.973 -0.543 1.00 51.20 H new ATOM 0 HG11 VAL A 71 -0.022 0.467 -0.105 1.00 63.52 H new ATOM 0 HG12 VAL A 71 0.021 -0.940 0.983 1.00 63.52 H new ATOM 0 HG13 VAL A 71 0.507 0.664 1.582 1.00 63.52 H new ATOM 0 HG21 VAL A 71 2.076 1.460 -0.956 1.00 14.44 H new ATOM 0 HG22 VAL A 71 2.704 1.696 0.693 1.00 14.44 H new ATOM 0 HG23 VAL A 71 3.652 0.773 -0.498 1.00 14.44 H new ATOM 1138 N ARG A 72 1.561 -2.231 3.162 1.00 13.34 N ATOM 1139 CA ARG A 72 0.809 -3.368 3.699 1.00 43.45 C ATOM 1140 C ARG A 72 -0.686 -3.243 3.366 1.00 50.13 C ATOM 1141 O ARG A 72 -1.367 -2.342 3.858 1.00 11.54 O ATOM 1142 CB ARG A 72 1.021 -3.480 5.217 1.00 4.44 C ATOM 1143 CG ARG A 72 0.288 -4.658 5.856 1.00 23.31 C ATOM 1144 CD ARG A 72 0.816 -4.988 7.254 1.00 50.45 C ATOM 1145 NE ARG A 72 0.794 -3.841 8.163 1.00 43.02 N ATOM 1146 CZ ARG A 72 -0.251 -3.460 8.846 1.00 21.53 C ATOM 1147 NH1 ARG A 72 -1.409 -4.006 8.654 1.00 32.32 N ATOM 1148 NH2 ARG A 72 -0.138 -2.505 9.713 1.00 61.50 N ATOM 0 H ARG A 72 1.707 -1.470 3.826 1.00 13.34 H new ATOM 0 HA ARG A 72 1.182 -4.278 3.230 1.00 43.45 H new ATOM 0 HB2 ARG A 72 2.088 -3.575 5.420 1.00 4.44 H new ATOM 0 HB3 ARG A 72 0.687 -2.556 5.690 1.00 4.44 H new ATOM 0 HG2 ARG A 72 -0.776 -4.430 5.918 1.00 23.31 H new ATOM 0 HG3 ARG A 72 0.389 -5.535 5.217 1.00 23.31 H new ATOM 0 HD2 ARG A 72 0.218 -5.793 7.681 1.00 50.45 H new ATOM 0 HD3 ARG A 72 1.838 -5.359 7.172 1.00 50.45 H new ATOM 0 HE ARG A 72 1.654 -3.303 8.270 1.00 43.02 H new ATOM 0 HH11 ARG A 72 -1.515 -4.746 7.960 1.00 32.32 H new ATOM 0 HH12 ARG A 72 -2.215 -3.696 9.197 1.00 32.32 H new ATOM 0 HH21 ARG A 72 0.765 -2.054 9.860 1.00 61.50 H new ATOM 0 HH22 ARG A 72 -0.952 -2.204 10.249 1.00 61.50 H new ATOM 1162 N VAL A 73 -1.182 -4.146 2.523 1.00 44.10 N ATOM 1163 CA VAL A 73 -2.574 -4.110 2.051 1.00 3.33 C ATOM 1164 C VAL A 73 -3.586 -4.340 3.190 1.00 4.21 C ATOM 1165 O VAL A 73 -3.494 -5.320 3.935 1.00 12.12 O ATOM 1166 CB VAL A 73 -2.811 -5.172 0.948 1.00 45.54 C ATOM 1167 CG1 VAL A 73 -4.250 -5.121 0.431 1.00 73.12 C ATOM 1168 CG2 VAL A 73 -1.815 -4.993 -0.197 1.00 24.43 C ATOM 0 H VAL A 73 -0.637 -4.922 2.146 1.00 44.10 H new ATOM 0 HA VAL A 73 -2.733 -3.111 1.646 1.00 3.33 H new ATOM 0 HB VAL A 73 -2.651 -6.156 1.390 1.00 45.54 H new ATOM 0 HG11 VAL A 73 -4.386 -5.878 -0.342 1.00 73.12 H new ATOM 0 HG12 VAL A 73 -4.939 -5.314 1.253 1.00 73.12 H new ATOM 0 HG13 VAL A 73 -4.452 -4.135 0.013 1.00 73.12 H new ATOM 0 HG21 VAL A 73 -1.999 -5.749 -0.961 1.00 24.43 H new ATOM 0 HG22 VAL A 73 -1.935 -4.001 -0.632 1.00 24.43 H new ATOM 0 HG23 VAL A 73 -0.799 -5.102 0.184 1.00 24.43 H new ATOM 1178 N THR A 74 -4.555 -3.434 3.308 1.00 10.31 N ATOM 1179 CA THR A 74 -5.635 -3.555 4.299 1.00 73.22 C ATOM 1180 C THR A 74 -6.909 -4.127 3.658 1.00 43.52 C ATOM 1181 O THR A 74 -7.374 -5.207 4.026 1.00 31.50 O ATOM 1182 CB THR A 74 -5.969 -2.185 4.943 1.00 74.43 C ATOM 1183 OG1 THR A 74 -6.356 -1.248 3.925 1.00 50.02 O ATOM 1184 CG2 THR A 74 -4.775 -1.635 5.714 1.00 22.33 C ATOM 0 H THR A 74 -4.618 -2.599 2.726 1.00 10.31 H new ATOM 0 HA THR A 74 -5.280 -4.235 5.073 1.00 73.22 H new ATOM 0 HB THR A 74 -6.793 -2.331 5.641 1.00 74.43 H new ATOM 0 HG1 THR A 74 -6.567 -0.385 4.338 1.00 50.02 H new ATOM 0 HG21 THR A 74 -5.038 -0.673 6.155 1.00 22.33 H new ATOM 0 HG22 THR A 74 -4.499 -2.333 6.504 1.00 22.33 H new ATOM 0 HG23 THR A 74 -3.932 -1.504 5.035 1.00 22.33 H new ATOM 1192 N SER A 75 -7.466 -3.398 2.696 1.00 2.44 N ATOM 1193 CA SER A 75 -8.667 -3.848 1.973 1.00 12.35 C ATOM 1194 C SER A 75 -8.326 -4.928 0.940 1.00 44.33 C ATOM 1195 O SER A 75 -7.585 -4.677 -0.010 1.00 32.42 O ATOM 1196 CB SER A 75 -9.346 -2.668 1.263 1.00 41.14 C ATOM 1197 OG SER A 75 -9.751 -1.669 2.184 1.00 11.45 O ATOM 0 H SER A 75 -7.110 -2.491 2.393 1.00 2.44 H new ATOM 0 HA SER A 75 -9.349 -4.271 2.711 1.00 12.35 H new ATOM 0 HB2 SER A 75 -8.659 -2.236 0.535 1.00 41.14 H new ATOM 0 HB3 SER A 75 -10.214 -3.026 0.709 1.00 41.14 H new ATOM 0 HG SER A 75 -9.784 -0.800 1.731 1.00 11.45 H new ATOM 1203 N ARG A 76 -8.877 -6.130 1.128 1.00 71.21 N ATOM 1204 CA ARG A 76 -8.637 -7.244 0.202 1.00 62.22 C ATOM 1205 C ARG A 76 -9.111 -6.886 -1.225 1.00 53.53 C ATOM 1206 O ARG A 76 -10.244 -6.424 -1.409 1.00 14.34 O ATOM 1207 CB ARG A 76 -9.355 -8.514 0.699 1.00 74.22 C ATOM 1208 CG ARG A 76 -8.824 -9.811 0.085 1.00 3.21 C ATOM 1209 CD ARG A 76 -9.628 -11.031 0.534 1.00 71.04 C ATOM 1210 NE ARG A 76 -8.953 -12.289 0.207 1.00 64.45 N ATOM 1211 CZ ARG A 76 -9.324 -13.108 -0.740 1.00 30.13 C ATOM 1212 NH1 ARG A 76 -10.327 -12.830 -1.508 1.00 14.14 N ATOM 1213 NH2 ARG A 76 -8.674 -14.210 -0.920 1.00 75.41 N ATOM 0 H ARG A 76 -9.491 -6.358 1.910 1.00 71.21 H new ATOM 0 HA ARG A 76 -7.564 -7.435 0.168 1.00 62.22 H new ATOM 0 HB2 ARG A 76 -9.260 -8.572 1.783 1.00 74.22 H new ATOM 0 HB3 ARG A 76 -10.419 -8.428 0.477 1.00 74.22 H new ATOM 0 HG2 ARG A 76 -8.856 -9.737 -1.002 1.00 3.21 H new ATOM 0 HG3 ARG A 76 -7.779 -9.943 0.365 1.00 3.21 H new ATOM 0 HD2 ARG A 76 -9.794 -10.979 1.610 1.00 71.04 H new ATOM 0 HD3 ARG A 76 -10.609 -11.013 0.059 1.00 71.04 H new ATOM 0 HE ARG A 76 -8.134 -12.544 0.759 1.00 64.45 H new ATOM 0 HH11 ARG A 76 -10.842 -11.959 -1.379 1.00 14.14 H new ATOM 0 HH12 ARG A 76 -10.603 -13.482 -2.243 1.00 14.14 H new ATOM 0 HH21 ARG A 76 -7.877 -14.435 -0.324 1.00 75.41 H new ATOM 0 HH22 ARG A 76 -8.958 -14.855 -1.658 1.00 75.41 H new ATOM 1227 N PRO A 77 -8.250 -7.097 -2.247 1.00 53.14 N ATOM 1228 CA PRO A 77 -8.554 -6.746 -3.650 1.00 0.23 C ATOM 1229 C PRO A 77 -9.895 -7.314 -4.149 1.00 73.44 C ATOM 1230 O PRO A 77 -10.126 -8.526 -4.113 1.00 51.14 O ATOM 1231 CB PRO A 77 -7.376 -7.356 -4.445 1.00 51.11 C ATOM 1232 CG PRO A 77 -6.694 -8.278 -3.491 1.00 13.22 C ATOM 1233 CD PRO A 77 -6.909 -7.691 -2.127 1.00 21.34 C ATOM 0 HA PRO A 77 -8.658 -5.668 -3.770 1.00 0.23 H new ATOM 0 HB2 PRO A 77 -7.731 -7.892 -5.325 1.00 51.11 H new ATOM 0 HB3 PRO A 77 -6.696 -6.581 -4.797 1.00 51.11 H new ATOM 0 HG2 PRO A 77 -7.111 -9.283 -3.554 1.00 13.22 H new ATOM 0 HG3 PRO A 77 -5.631 -8.359 -3.718 1.00 13.22 H new ATOM 0 HD2 PRO A 77 -6.870 -8.451 -1.347 1.00 21.34 H new ATOM 0 HD3 PRO A 77 -6.154 -6.944 -1.883 1.00 21.34 H new ATOM 1241 N GLY A 78 -10.781 -6.430 -4.606 1.00 54.11 N ATOM 1242 CA GLY A 78 -12.071 -6.861 -5.134 1.00 51.14 C ATOM 1243 C GLY A 78 -13.221 -5.956 -4.709 1.00 34.11 C ATOM 1244 O GLY A 78 -14.153 -5.721 -5.478 1.00 75.02 O ATOM 0 H GLY A 78 -10.630 -5.421 -4.621 1.00 54.11 H new ATOM 0 HA2 GLY A 78 -12.021 -6.889 -6.222 1.00 51.14 H new ATOM 0 HA3 GLY A 78 -12.273 -7.878 -4.798 1.00 51.14 H new ATOM 1248 N GLN A 79 -13.150 -5.452 -3.479 1.00 54.14 N ATOM 1249 CA GLN A 79 -14.176 -4.549 -2.944 1.00 1.33 C ATOM 1250 C GLN A 79 -14.309 -3.284 -3.804 1.00 1.05 C ATOM 1251 O GLN A 79 -13.481 -2.382 -3.722 1.00 33.32 O ATOM 1252 CB GLN A 79 -13.833 -4.161 -1.499 1.00 13.22 C ATOM 1253 CG GLN A 79 -13.778 -5.342 -0.536 1.00 3.43 C ATOM 1254 CD GLN A 79 -13.330 -4.939 0.861 1.00 61.30 C ATOM 1255 OE1 GLN A 79 -14.140 -4.581 1.711 1.00 63.43 O ATOM 1256 NE2 GLN A 79 -12.033 -4.989 1.108 1.00 53.42 N ATOM 0 H GLN A 79 -12.390 -5.653 -2.829 1.00 54.14 H new ATOM 0 HA GLN A 79 -15.130 -5.076 -2.963 1.00 1.33 H new ATOM 0 HB2 GLN A 79 -12.869 -3.652 -1.489 1.00 13.22 H new ATOM 0 HB3 GLN A 79 -14.574 -3.447 -1.140 1.00 13.22 H new ATOM 0 HG2 GLN A 79 -14.763 -5.805 -0.478 1.00 3.43 H new ATOM 0 HG3 GLN A 79 -13.095 -6.095 -0.929 1.00 3.43 H new ATOM 0 HE21 GLN A 79 -11.386 -5.291 0.379 1.00 53.42 H new ATOM 0 HE22 GLN A 79 -11.678 -4.726 2.027 1.00 53.42 H new ATOM 1265 N ASP A 80 -15.334 -3.248 -4.658 1.00 34.22 N ATOM 1266 CA ASP A 80 -15.594 -2.094 -5.534 1.00 30.01 C ATOM 1267 C ASP A 80 -14.388 -1.771 -6.440 1.00 54.12 C ATOM 1268 O ASP A 80 -14.285 -0.672 -6.990 1.00 41.23 O ATOM 1269 CB ASP A 80 -15.981 -0.866 -4.696 1.00 51.15 C ATOM 1270 CG ASP A 80 -17.306 -1.051 -3.979 1.00 71.05 C ATOM 1271 OD1 ASP A 80 -17.329 -1.702 -2.911 1.00 0.20 O ATOM 1272 OD2 ASP A 80 -18.335 -0.539 -4.474 1.00 43.42 O ATOM 0 H ASP A 80 -16.005 -4.009 -4.765 1.00 34.22 H new ATOM 0 HA ASP A 80 -16.426 -2.359 -6.186 1.00 30.01 H new ATOM 0 HB2 ASP A 80 -15.199 -0.668 -3.963 1.00 51.15 H new ATOM 0 HB3 ASP A 80 -16.040 0.009 -5.344 1.00 51.15 H new ATOM 1277 N GLY A 81 -13.497 -2.744 -6.610 1.00 21.02 N ATOM 1278 CA GLY A 81 -12.317 -2.554 -7.447 1.00 51.23 C ATOM 1279 C GLY A 81 -11.218 -1.713 -6.798 1.00 55.54 C ATOM 1280 O GLY A 81 -10.205 -1.423 -7.436 1.00 51.24 O ATOM 0 H GLY A 81 -13.569 -3.667 -6.182 1.00 21.02 H new ATOM 0 HA2 GLY A 81 -11.907 -3.531 -7.705 1.00 51.23 H new ATOM 0 HA3 GLY A 81 -12.620 -2.079 -8.380 1.00 51.23 H new ATOM 1284 N VAL A 82 -11.402 -1.327 -5.532 1.00 3.51 N ATOM 1285 CA VAL A 82 -10.407 -0.507 -4.824 1.00 44.14 C ATOM 1286 C VAL A 82 -9.530 -1.360 -3.886 1.00 60.31 C ATOM 1287 O VAL A 82 -10.005 -2.309 -3.253 1.00 73.33 O ATOM 1288 CB VAL A 82 -11.083 0.639 -4.014 1.00 65.31 C ATOM 1289 CG1 VAL A 82 -11.993 0.088 -2.919 1.00 14.34 C ATOM 1290 CG2 VAL A 82 -10.036 1.590 -3.426 1.00 23.40 C ATOM 0 H VAL A 82 -12.224 -1.566 -4.977 1.00 3.51 H new ATOM 0 HA VAL A 82 -9.768 -0.064 -5.588 1.00 44.14 H new ATOM 0 HB VAL A 82 -11.705 1.206 -4.707 1.00 65.31 H new ATOM 0 HG11 VAL A 82 -12.448 0.915 -2.374 1.00 14.34 H new ATOM 0 HG12 VAL A 82 -12.775 -0.524 -3.369 1.00 14.34 H new ATOM 0 HG13 VAL A 82 -11.407 -0.521 -2.231 1.00 14.34 H new ATOM 0 HG21 VAL A 82 -10.536 2.380 -2.866 1.00 23.40 H new ATOM 0 HG22 VAL A 82 -9.374 1.036 -2.760 1.00 23.40 H new ATOM 0 HG23 VAL A 82 -9.452 2.032 -4.233 1.00 23.40 H new ATOM 1300 N ILE A 83 -8.240 -1.027 -3.825 1.00 14.20 N ATOM 1301 CA ILE A 83 -7.288 -1.709 -2.938 1.00 64.14 C ATOM 1302 C ILE A 83 -6.608 -0.697 -2.005 1.00 51.22 C ATOM 1303 O ILE A 83 -5.896 0.195 -2.461 1.00 33.21 O ATOM 1304 CB ILE A 83 -6.196 -2.465 -3.745 1.00 54.04 C ATOM 1305 CG1 ILE A 83 -6.841 -3.450 -4.736 1.00 31.14 C ATOM 1306 CG2 ILE A 83 -5.238 -3.197 -2.802 1.00 42.13 C ATOM 1307 CD1 ILE A 83 -5.841 -4.193 -5.601 1.00 23.41 C ATOM 0 H ILE A 83 -7.824 -0.282 -4.384 1.00 14.20 H new ATOM 0 HA ILE A 83 -7.854 -2.433 -2.352 1.00 64.14 H new ATOM 0 HB ILE A 83 -5.622 -1.734 -4.314 1.00 54.04 H new ATOM 0 HG12 ILE A 83 -7.434 -4.175 -4.179 1.00 31.14 H new ATOM 0 HG13 ILE A 83 -7.529 -2.903 -5.381 1.00 31.14 H new ATOM 0 HG21 ILE A 83 -4.481 -3.720 -3.386 1.00 42.13 H new ATOM 0 HG22 ILE A 83 -4.754 -2.476 -2.144 1.00 42.13 H new ATOM 0 HG23 ILE A 83 -5.796 -3.917 -2.204 1.00 42.13 H new ATOM 0 HD11 ILE A 83 -6.372 -4.868 -6.273 1.00 23.41 H new ATOM 0 HD12 ILE A 83 -5.264 -3.477 -6.187 1.00 23.41 H new ATOM 0 HD13 ILE A 83 -5.168 -4.769 -4.966 1.00 23.41 H new ATOM 1319 N ASN A 84 -6.827 -0.831 -0.701 1.00 15.22 N ATOM 1320 CA ASN A 84 -6.239 0.092 0.280 1.00 53.13 C ATOM 1321 C ASN A 84 -5.044 -0.544 1.007 1.00 5.31 C ATOM 1322 O ASN A 84 -4.955 -1.766 1.124 1.00 52.45 O ATOM 1323 CB ASN A 84 -7.302 0.523 1.295 1.00 71.41 C ATOM 1324 CG ASN A 84 -8.527 1.117 0.626 1.00 61.12 C ATOM 1325 OD1 ASN A 84 -9.478 0.414 0.303 1.00 70.12 O ATOM 1326 ND2 ASN A 84 -8.513 2.414 0.408 1.00 74.24 N ATOM 0 H ASN A 84 -7.405 -1.566 -0.294 1.00 15.22 H new ATOM 0 HA ASN A 84 -5.875 0.967 -0.259 1.00 53.13 H new ATOM 0 HB2 ASN A 84 -7.599 -0.337 1.895 1.00 71.41 H new ATOM 0 HB3 ASN A 84 -6.873 1.255 1.979 1.00 71.41 H new ATOM 0 HD21 ASN A 84 -9.310 2.864 -0.042 1.00 74.24 H new ATOM 0 HD22 ASN A 84 -7.705 2.970 0.689 1.00 74.24 H new ATOM 1333 N GLY A 85 -4.131 0.295 1.494 1.00 11.43 N ATOM 1334 CA GLY A 85 -2.961 -0.197 2.216 1.00 54.22 C ATOM 1335 C GLY A 85 -2.307 0.868 3.097 1.00 60.21 C ATOM 1336 O GLY A 85 -2.761 2.011 3.142 1.00 63.04 O ATOM 0 H GLY A 85 -4.178 1.310 1.403 1.00 11.43 H new ATOM 0 HA2 GLY A 85 -3.254 -1.043 2.837 1.00 54.22 H new ATOM 0 HA3 GLY A 85 -2.228 -0.567 1.499 1.00 54.22 H new ATOM 1340 N VAL A 86 -1.245 0.485 3.809 1.00 65.42 N ATOM 1341 CA VAL A 86 -0.511 1.414 4.687 1.00 13.35 C ATOM 1342 C VAL A 86 0.962 1.539 4.258 1.00 44.34 C ATOM 1343 O VAL A 86 1.630 0.529 4.018 1.00 14.01 O ATOM 1344 CB VAL A 86 -0.557 0.954 6.171 1.00 4.03 C ATOM 1345 CG1 VAL A 86 -0.167 2.100 7.106 1.00 10.11 C ATOM 1346 CG2 VAL A 86 -1.930 0.392 6.530 1.00 12.15 C ATOM 0 H VAL A 86 -0.869 -0.463 3.798 1.00 65.42 H new ATOM 0 HA VAL A 86 -1.003 2.382 4.595 1.00 13.35 H new ATOM 0 HB VAL A 86 0.171 0.153 6.299 1.00 4.03 H new ATOM 0 HG11 VAL A 86 -0.206 1.756 8.139 1.00 10.11 H new ATOM 0 HG12 VAL A 86 0.844 2.432 6.872 1.00 10.11 H new ATOM 0 HG13 VAL A 86 -0.861 2.930 6.974 1.00 10.11 H new ATOM 0 HG21 VAL A 86 -1.933 0.078 7.574 1.00 12.15 H new ATOM 0 HG22 VAL A 86 -2.688 1.160 6.380 1.00 12.15 H new ATOM 0 HG23 VAL A 86 -2.150 -0.465 5.893 1.00 12.15 H new ATOM 1356 N LEU A 87 1.466 2.770 4.172 1.00 23.24 N ATOM 1357 CA LEU A 87 2.860 3.012 3.768 1.00 1.52 C ATOM 1358 C LEU A 87 3.838 2.704 4.911 1.00 45.13 C ATOM 1359 O LEU A 87 3.956 3.468 5.868 1.00 15.54 O ATOM 1360 CB LEU A 87 3.041 4.469 3.312 1.00 33.11 C ATOM 1361 CG LEU A 87 4.453 4.834 2.812 1.00 12.21 C ATOM 1362 CD1 LEU A 87 4.845 3.976 1.608 1.00 63.23 C ATOM 1363 CD2 LEU A 87 4.534 6.320 2.471 1.00 70.13 C ATOM 0 H LEU A 87 0.935 3.617 4.375 1.00 23.24 H new ATOM 0 HA LEU A 87 3.082 2.342 2.937 1.00 1.52 H new ATOM 0 HB2 LEU A 87 2.327 4.674 2.514 1.00 33.11 H new ATOM 0 HB3 LEU A 87 2.787 5.127 4.143 1.00 33.11 H new ATOM 0 HG LEU A 87 5.162 4.629 3.614 1.00 12.21 H new ATOM 0 HD11 LEU A 87 5.845 4.253 1.274 1.00 63.23 H new ATOM 0 HD12 LEU A 87 4.836 2.924 1.893 1.00 63.23 H new ATOM 0 HD13 LEU A 87 4.134 4.139 0.798 1.00 63.23 H new ATOM 0 HD21 LEU A 87 5.538 6.559 2.120 1.00 70.13 H new ATOM 0 HD22 LEU A 87 3.811 6.554 1.689 1.00 70.13 H new ATOM 0 HD23 LEU A 87 4.311 6.910 3.360 1.00 70.13 H new ATOM 1375 N ILE A 88 4.551 1.594 4.796 1.00 51.03 N ATOM 1376 CA ILE A 88 5.511 1.177 5.823 1.00 75.21 C ATOM 1377 C ILE A 88 6.923 1.004 5.235 1.00 71.12 C ATOM 1378 O ILE A 88 7.142 1.194 4.038 1.00 0.23 O ATOM 1379 CB ILE A 88 5.072 -0.150 6.497 1.00 41.41 C ATOM 1380 CG1 ILE A 88 5.087 -1.299 5.473 1.00 4.32 C ATOM 1381 CG2 ILE A 88 3.688 0.002 7.133 1.00 10.15 C ATOM 1382 CD1 ILE A 88 4.525 -2.604 5.999 1.00 35.33 C ATOM 0 H ILE A 88 4.487 0.959 4.000 1.00 51.03 H new ATOM 0 HA ILE A 88 5.534 1.968 6.573 1.00 75.21 H new ATOM 0 HB ILE A 88 5.780 -0.391 7.290 1.00 41.41 H new ATOM 0 HG12 ILE A 88 4.515 -0.997 4.596 1.00 4.32 H new ATOM 0 HG13 ILE A 88 6.113 -1.464 5.143 1.00 4.32 H new ATOM 0 HG21 ILE A 88 3.397 -0.939 7.601 1.00 10.15 H new ATOM 0 HG22 ILE A 88 3.719 0.788 7.887 1.00 10.15 H new ATOM 0 HG23 ILE A 88 2.961 0.265 6.364 1.00 10.15 H new ATOM 0 HD11 ILE A 88 4.572 -3.362 5.217 1.00 35.33 H new ATOM 0 HD12 ILE A 88 5.111 -2.932 6.858 1.00 35.33 H new ATOM 0 HD13 ILE A 88 3.488 -2.458 6.301 1.00 35.33 H new ATOM 1394 N ARG A 89 7.876 0.633 6.081 1.00 60.13 N ATOM 1395 CA ARG A 89 9.271 0.455 5.659 1.00 63.51 C ATOM 1396 C ARG A 89 9.875 -0.801 6.304 1.00 41.02 C ATOM 1397 O ARG A 89 10.398 -0.743 7.417 1.00 54.43 O ATOM 1398 CB ARG A 89 10.121 1.687 6.039 1.00 54.51 C ATOM 1399 CG ARG A 89 9.616 3.011 5.468 1.00 75.43 C ATOM 1400 CD ARG A 89 9.668 3.044 3.941 1.00 53.33 C ATOM 1401 NE ARG A 89 11.023 2.845 3.426 1.00 64.13 N ATOM 1402 CZ ARG A 89 11.493 3.418 2.348 1.00 10.02 C ATOM 1403 NH1 ARG A 89 10.768 4.248 1.665 1.00 2.12 N ATOM 1404 NH2 ARG A 89 12.693 3.154 1.953 1.00 72.23 N ATOM 0 H ARG A 89 7.713 0.447 7.071 1.00 60.13 H new ATOM 0 HA ARG A 89 9.278 0.340 4.575 1.00 63.51 H new ATOM 0 HB2 ARG A 89 10.157 1.766 7.126 1.00 54.51 H new ATOM 0 HB3 ARG A 89 11.143 1.526 5.697 1.00 54.51 H new ATOM 0 HG2 ARG A 89 8.591 3.178 5.798 1.00 75.43 H new ATOM 0 HG3 ARG A 89 10.217 3.828 5.867 1.00 75.43 H new ATOM 0 HD2 ARG A 89 9.013 2.270 3.541 1.00 53.33 H new ATOM 0 HD3 ARG A 89 9.284 4.001 3.587 1.00 53.33 H new ATOM 0 HE ARG A 89 11.642 2.219 3.941 1.00 64.13 H new ATOM 0 HH11 ARG A 89 9.817 4.462 1.966 1.00 2.12 H new ATOM 0 HH12 ARG A 89 11.148 4.687 0.827 1.00 2.12 H new ATOM 0 HH21 ARG A 89 13.271 2.500 2.481 1.00 72.23 H new ATOM 0 HH22 ARG A 89 13.063 3.599 1.113 1.00 72.23 H new ATOM 1418 N GLU A 90 9.779 -1.938 5.620 1.00 21.11 N ATOM 1419 CA GLU A 90 10.316 -3.199 6.152 1.00 71.24 C ATOM 1420 C GLU A 90 11.615 -3.611 5.442 1.00 53.30 C ATOM 1421 O GLU A 90 12.623 -3.894 6.094 1.00 72.42 O ATOM 1422 CB GLU A 90 9.273 -4.322 6.046 1.00 2.32 C ATOM 1423 CG GLU A 90 7.996 -4.045 6.833 1.00 71.22 C ATOM 1424 CD GLU A 90 7.113 -5.275 6.971 1.00 54.04 C ATOM 1425 OE1 GLU A 90 7.283 -6.023 7.956 1.00 72.45 O ATOM 1426 OE2 GLU A 90 6.255 -5.505 6.097 1.00 10.14 O ATOM 0 H GLU A 90 9.339 -2.018 4.703 1.00 21.11 H new ATOM 0 HA GLU A 90 10.550 -3.032 7.203 1.00 71.24 H new ATOM 0 HB2 GLU A 90 9.018 -4.472 4.997 1.00 2.32 H new ATOM 0 HB3 GLU A 90 9.715 -5.252 6.403 1.00 2.32 H new ATOM 0 HG2 GLU A 90 8.258 -3.678 7.825 1.00 71.22 H new ATOM 0 HG3 GLU A 90 7.434 -3.253 6.338 1.00 71.22 H new ATOM 1433 N LEU A 91 11.593 -3.633 4.107 1.00 62.15 N ATOM 1434 CA LEU A 91 12.780 -3.997 3.326 1.00 3.34 C ATOM 1435 C LEU A 91 13.973 -3.094 3.672 1.00 55.11 C ATOM 1436 O LEU A 91 13.799 -1.929 4.045 1.00 64.42 O ATOM 1437 CB LEU A 91 12.477 -3.935 1.821 1.00 72.42 C ATOM 1438 CG LEU A 91 11.370 -4.891 1.338 1.00 44.33 C ATOM 1439 CD1 LEU A 91 11.233 -4.836 -0.183 1.00 2.24 C ATOM 1440 CD2 LEU A 91 11.643 -6.319 1.808 1.00 12.12 C ATOM 0 H LEU A 91 10.772 -3.405 3.546 1.00 62.15 H new ATOM 0 HA LEU A 91 13.048 -5.021 3.585 1.00 3.34 H new ATOM 0 HB2 LEU A 91 12.192 -2.915 1.565 1.00 72.42 H new ATOM 0 HB3 LEU A 91 13.392 -4.157 1.272 1.00 72.42 H new ATOM 0 HG LEU A 91 10.426 -4.566 1.775 1.00 44.33 H new ATOM 0 HD11 LEU A 91 10.446 -5.519 -0.502 1.00 2.24 H new ATOM 0 HD12 LEU A 91 10.979 -3.821 -0.489 1.00 2.24 H new ATOM 0 HD13 LEU A 91 12.176 -5.129 -0.644 1.00 2.24 H new ATOM 0 HD21 LEU A 91 10.848 -6.976 1.455 1.00 12.12 H new ATOM 0 HD22 LEU A 91 12.599 -6.657 1.407 1.00 12.12 H new ATOM 0 HD23 LEU A 91 11.677 -6.343 2.897 1.00 12.12 H new ATOM 1452 N GLU A 92 15.178 -3.638 3.548 1.00 13.52 N ATOM 1453 CA GLU A 92 16.395 -2.961 4.010 1.00 21.35 C ATOM 1454 C GLU A 92 16.603 -1.590 3.338 1.00 22.55 C ATOM 1455 O GLU A 92 16.911 -1.501 2.147 1.00 60.00 O ATOM 1456 CB GLU A 92 17.607 -3.867 3.774 1.00 22.51 C ATOM 1457 CG GLU A 92 18.916 -3.297 4.300 1.00 31.33 C ATOM 1458 CD GLU A 92 20.027 -4.329 4.319 1.00 54.03 C ATOM 1459 OE1 GLU A 92 20.125 -5.083 5.309 1.00 12.41 O ATOM 1460 OE2 GLU A 92 20.799 -4.401 3.345 1.00 55.51 O ATOM 0 H GLU A 92 15.344 -4.553 3.129 1.00 13.52 H new ATOM 0 HA GLU A 92 16.281 -2.769 5.077 1.00 21.35 H new ATOM 0 HB2 GLU A 92 17.425 -4.831 4.249 1.00 22.51 H new ATOM 0 HB3 GLU A 92 17.707 -4.052 2.705 1.00 22.51 H new ATOM 0 HG2 GLU A 92 19.218 -2.453 3.679 1.00 31.33 H new ATOM 0 HG3 GLU A 92 18.763 -2.912 5.308 1.00 31.33 H new ATOM 1467 N HIS A 93 16.435 -0.519 4.123 1.00 10.20 N ATOM 1468 CA HIS A 93 16.577 0.854 3.614 1.00 3.44 C ATOM 1469 C HIS A 93 18.043 1.216 3.312 1.00 45.14 C ATOM 1470 O HIS A 93 18.321 2.018 2.418 1.00 51.05 O ATOM 1471 CB HIS A 93 15.960 1.863 4.598 1.00 23.22 C ATOM 1472 CG HIS A 93 16.418 1.713 6.020 1.00 42.05 C ATOM 1473 ND1 HIS A 93 15.669 1.075 6.986 1.00 4.21 N ATOM 1474 CD2 HIS A 93 17.540 2.139 6.645 1.00 21.23 C ATOM 1475 CE1 HIS A 93 16.304 1.121 8.138 1.00 73.12 C ATOM 1476 NE2 HIS A 93 17.442 1.758 7.960 1.00 22.13 N ATOM 0 H HIS A 93 16.200 -0.575 5.114 1.00 10.20 H new ATOM 0 HA HIS A 93 16.034 0.905 2.670 1.00 3.44 H new ATOM 0 HB2 HIS A 93 16.196 2.872 4.259 1.00 23.22 H new ATOM 0 HB3 HIS A 93 14.875 1.763 4.568 1.00 23.22 H new ATOM 0 HD2 HIS A 93 18.360 2.678 6.193 1.00 21.23 H new ATOM 0 HE1 HIS A 93 15.951 0.707 9.071 1.00 73.12 H new ATOM 0 HE2 HIS A 93 18.139 1.939 8.683 1.00 22.13 H new ATOM 1485 N HIS A 94 18.974 0.623 4.056 1.00 62.51 N ATOM 1486 CA HIS A 94 20.404 0.859 3.831 1.00 2.14 C ATOM 1487 C HIS A 94 20.877 0.109 2.574 1.00 41.21 C ATOM 1488 O HIS A 94 21.206 -1.076 2.640 1.00 41.13 O ATOM 1489 CB HIS A 94 21.209 0.418 5.062 1.00 5.42 C ATOM 1490 CG HIS A 94 22.658 0.808 5.027 1.00 23.55 C ATOM 1491 ND1 HIS A 94 23.686 -0.110 4.980 1.00 23.52 N ATOM 1492 CD2 HIS A 94 23.252 2.026 5.060 1.00 43.10 C ATOM 1493 CE1 HIS A 94 24.842 0.522 4.987 1.00 4.00 C ATOM 1494 NE2 HIS A 94 24.606 1.816 5.036 1.00 35.03 N ATOM 0 H HIS A 94 18.768 -0.023 4.818 1.00 62.51 H new ATOM 0 HA HIS A 94 20.567 1.925 3.674 1.00 2.14 H new ATOM 0 HB2 HIS A 94 20.751 0.847 5.953 1.00 5.42 H new ATOM 0 HB3 HIS A 94 21.139 -0.666 5.158 1.00 5.42 H new ATOM 0 HD2 HIS A 94 22.752 2.983 5.098 1.00 43.10 H new ATOM 0 HE1 HIS A 94 25.817 0.058 4.958 1.00 4.00 H new ATOM 0 HE2 HIS A 94 25.318 2.546 5.053 1.00 35.03 H new ATOM 1503 N HIS A 95 20.880 0.810 1.431 1.00 63.11 N ATOM 1504 CA HIS A 95 21.212 0.203 0.127 1.00 3.42 C ATOM 1505 C HIS A 95 22.489 -0.659 0.185 1.00 73.04 C ATOM 1506 O HIS A 95 23.609 -0.148 0.250 1.00 35.43 O ATOM 1507 CB HIS A 95 21.333 1.288 -0.962 1.00 2.10 C ATOM 1508 CG HIS A 95 22.340 2.363 -0.676 1.00 31.40 C ATOM 1509 ND1 HIS A 95 23.674 2.252 -1.004 1.00 74.52 N ATOM 1510 CD2 HIS A 95 22.199 3.592 -0.117 1.00 11.41 C ATOM 1511 CE1 HIS A 95 24.305 3.357 -0.663 1.00 32.20 C ATOM 1512 NE2 HIS A 95 23.437 4.186 -0.126 1.00 14.24 N ATOM 0 H HIS A 95 20.655 1.804 1.380 1.00 63.11 H new ATOM 0 HA HIS A 95 20.391 -0.466 -0.132 1.00 3.42 H new ATOM 0 HB2 HIS A 95 21.594 0.808 -1.905 1.00 2.10 H new ATOM 0 HB3 HIS A 95 20.357 1.753 -1.101 1.00 2.10 H new ATOM 0 HD1 HIS A 95 24.106 1.439 -1.443 1.00 74.52 H new ATOM 0 HD2 HIS A 95 21.284 4.022 0.264 1.00 11.41 H new ATOM 0 HE1 HIS A 95 25.359 3.550 -0.801 1.00 32.20 H new ATOM 1521 N HIS A 96 22.302 -1.976 0.158 1.00 75.33 N ATOM 1522 CA HIS A 96 23.407 -2.930 0.303 1.00 71.44 C ATOM 1523 C HIS A 96 24.020 -3.317 -1.054 1.00 41.15 C ATOM 1524 O HIS A 96 23.341 -3.853 -1.928 1.00 14.24 O ATOM 1525 CB HIS A 96 22.900 -4.186 1.020 1.00 43.23 C ATOM 1526 CG HIS A 96 23.979 -5.114 1.501 1.00 40.13 C ATOM 1527 ND1 HIS A 96 24.292 -5.270 2.834 1.00 73.30 N ATOM 1528 CD2 HIS A 96 24.796 -5.961 0.828 1.00 15.42 C ATOM 1529 CE1 HIS A 96 25.249 -6.163 2.960 1.00 35.33 C ATOM 1530 NE2 HIS A 96 25.573 -6.599 1.762 1.00 14.41 N ATOM 0 H HIS A 96 21.389 -2.413 0.036 1.00 75.33 H new ATOM 0 HA HIS A 96 24.190 -2.449 0.889 1.00 71.44 H new ATOM 0 HB2 HIS A 96 22.295 -3.881 1.874 1.00 43.23 H new ATOM 0 HB3 HIS A 96 22.244 -4.734 0.344 1.00 43.23 H new ATOM 0 HD2 HIS A 96 24.829 -6.106 -0.242 1.00 15.42 H new ATOM 0 HE1 HIS A 96 25.694 -6.484 3.890 1.00 35.33 H new ATOM 0 HE2 HIS A 96 26.287 -7.299 1.560 1.00 14.41 H new ATOM 1539 N HIS A 97 25.310 -3.034 -1.219 1.00 62.41 N ATOM 1540 CA HIS A 97 26.076 -3.493 -2.385 1.00 11.21 C ATOM 1541 C HIS A 97 27.484 -3.920 -1.956 1.00 73.30 C ATOM 1542 O HIS A 97 28.144 -3.221 -1.184 1.00 72.01 O ATOM 1543 CB HIS A 97 26.159 -2.402 -3.463 1.00 4.11 C ATOM 1544 CG HIS A 97 24.855 -2.133 -4.160 1.00 72.21 C ATOM 1545 ND1 HIS A 97 24.195 -3.080 -4.913 1.00 15.52 N ATOM 1546 CD2 HIS A 97 24.093 -1.015 -4.225 1.00 54.15 C ATOM 1547 CE1 HIS A 97 23.092 -2.560 -5.409 1.00 64.30 C ATOM 1548 NE2 HIS A 97 23.005 -1.310 -5.008 1.00 54.04 N ATOM 0 H HIS A 97 25.855 -2.484 -0.555 1.00 62.41 H new ATOM 0 HA HIS A 97 25.556 -4.350 -2.813 1.00 11.21 H new ATOM 0 HB2 HIS A 97 26.512 -1.478 -3.004 1.00 4.11 H new ATOM 0 HB3 HIS A 97 26.903 -2.694 -4.205 1.00 4.11 H new ATOM 0 HD2 HIS A 97 24.302 -0.068 -3.749 1.00 54.15 H new ATOM 0 HE1 HIS A 97 22.379 -3.073 -6.038 1.00 64.30 H new ATOM 0 HE2 HIS A 97 22.251 -0.664 -5.241 1.00 54.04 H new ATOM 1557 N HIS A 98 27.939 -5.067 -2.454 1.00 31.33 N ATOM 1558 CA HIS A 98 29.242 -5.624 -2.061 1.00 61.33 C ATOM 1559 C HIS A 98 30.002 -6.191 -3.279 1.00 43.42 C ATOM 1560 O HIS A 98 29.779 -7.369 -3.636 1.00 37.59 O ATOM 1561 CB HIS A 98 29.033 -6.716 -1.000 1.00 30.24 C ATOM 1562 CG HIS A 98 30.303 -7.279 -0.441 1.00 52.51 C ATOM 1563 ND1 HIS A 98 30.972 -8.340 -1.010 1.00 62.14 N ATOM 1564 CD2 HIS A 98 31.023 -6.927 0.649 1.00 50.13 C ATOM 1565 CE1 HIS A 98 32.046 -8.615 -0.299 1.00 43.34 C ATOM 1566 NE2 HIS A 98 32.100 -7.773 0.712 1.00 2.42 N ATOM 1567 OXT HIS A 98 30.812 -5.448 -3.881 1.00 37.59 O ATOM 0 H HIS A 98 27.428 -5.633 -3.131 1.00 31.33 H new ATOM 0 HA HIS A 98 29.850 -4.822 -1.641 1.00 61.33 H new ATOM 0 HB2 HIS A 98 28.440 -6.304 -0.183 1.00 30.24 H new ATOM 0 HB3 HIS A 98 28.451 -7.527 -1.439 1.00 30.24 H new ATOM 0 HD2 HIS A 98 30.793 -6.129 1.340 1.00 50.13 H new ATOM 0 HE1 HIS A 98 32.760 -9.397 -0.509 1.00 43.34 H new ATOM 0 HE2 HIS A 98 32.827 -7.753 1.427 1.00 2.42 H new TER 1576 HIS A 98