USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 798 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 ASN : amide:sc= -2.37! C(o=0.032!,f=-4.1!) USER MOD Set 1.2: A 75 SER OG : rot 110:sc= 1.15 USER MOD Set 1.3: A 84 ASN : amide:sc= 1.26 K(o=0.032,f=-4.5) USER MOD Set 2.1: A 32 THR OG1 : rot 14:sc= -0.819! USER MOD Set 2.2: A 34 LYS NZ :NH3+ 133:sc= 1.73 (180deg=-0.838) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0645 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.698 K(o=-0.7,f=-4.7!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0882 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -5:sc= 1.07 USER MOD Single : A 42 ASN : amide:sc= -1.64 K(o=-1.6,f=-5.3!) USER MOD Single : A 46 ASN : amide:sc= -0.87 K(o=-0.87,f=-0.016) USER MOD Single : A 47 THR OG1 : rot 140:sc= -0.203 USER MOD Single : A 49 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.5) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 66 THR OG1 : rot -50:sc= 1.3 USER MOD Single : A 67 ASN : amide:sc= -1.6! C(o=-1.6!,f=-14!) USER MOD Single : A 70 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.4!) USER MOD Single : A 74 THR OG1 : rot -40:sc= 0.195 USER MOD Single : A 79 GLN : amide:sc= -0.0217 K(o=-0.022,f=-0.68) USER MOD Single : A 93 HIS : no HD1:sc= -0.0235 X(o=-0.023,f=0) USER MOD Single : A 94 HIS : no HE2:sc= 0.281 K(o=0.28,f=-1.7!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HE2:sc= -0.146 K(o=-0.15,f=-3!) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 98 HIS : no HD1:sc= -0.0432 X(o=-0.043,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.360 -18.679 -22.427 1.00 60.23 N ATOM 2 CA GLY A 1 -29.865 -18.005 -21.195 1.00 31.01 C ATOM 3 C GLY A 1 -31.031 -17.063 -21.472 1.00 54.12 C ATOM 4 O GLY A 1 -31.474 -16.933 -22.614 1.00 54.12 O ATOM 0 H1 GLY A 1 -29.559 -19.698 -22.372 1.00 60.23 H new ATOM 0 H2 GLY A 1 -29.835 -18.278 -23.261 1.00 60.23 H new ATOM 0 H3 GLY A 1 -28.334 -18.531 -22.508 1.00 60.23 H new ATOM 0 HA2 GLY A 1 -30.178 -18.761 -20.475 1.00 31.01 H new ATOM 0 HA3 GLY A 1 -29.052 -17.444 -20.734 1.00 31.01 H new ATOM 10 N ASP A 2 -31.529 -16.402 -20.430 1.00 71.41 N ATOM 11 CA ASP A 2 -32.647 -15.459 -20.565 1.00 75.55 C ATOM 12 C ASP A 2 -32.153 -14.036 -20.897 1.00 60.13 C ATOM 13 O ASP A 2 -30.948 -13.762 -20.892 1.00 41.02 O ATOM 14 CB ASP A 2 -33.496 -15.464 -19.286 1.00 12.02 C ATOM 15 CG ASP A 2 -32.705 -15.096 -18.042 1.00 25.43 C ATOM 16 OD1 ASP A 2 -31.700 -15.777 -17.742 1.00 61.54 O ATOM 17 OD2 ASP A 2 -33.088 -14.131 -17.352 1.00 23.13 O ATOM 0 H ASP A 2 -31.177 -16.500 -19.477 1.00 71.41 H new ATOM 0 HA ASP A 2 -33.268 -15.785 -21.399 1.00 75.55 H new ATOM 0 HB2 ASP A 2 -34.323 -14.764 -19.404 1.00 12.02 H new ATOM 0 HB3 ASP A 2 -33.933 -16.453 -19.151 1.00 12.02 H new ATOM 22 N ARG A 3 -33.087 -13.133 -21.205 1.00 53.21 N ATOM 23 CA ARG A 3 -32.733 -11.771 -21.637 1.00 72.32 C ATOM 24 C ARG A 3 -33.202 -10.692 -20.642 1.00 43.40 C ATOM 25 O ARG A 3 -34.331 -10.727 -20.151 1.00 42.34 O ATOM 26 CB ARG A 3 -33.336 -11.480 -23.022 1.00 54.41 C ATOM 27 CG ARG A 3 -32.889 -12.453 -24.110 1.00 50.12 C ATOM 28 CD ARG A 3 -31.372 -12.473 -24.271 1.00 24.02 C ATOM 29 NE ARG A 3 -30.945 -13.406 -25.310 1.00 24.04 N ATOM 30 CZ ARG A 3 -30.250 -14.488 -25.085 1.00 73.43 C ATOM 31 NH1 ARG A 3 -29.897 -14.805 -23.879 1.00 74.21 N ATOM 32 NH2 ARG A 3 -29.899 -15.249 -26.070 1.00 44.23 N ATOM 0 H ARG A 3 -34.090 -13.315 -21.165 1.00 53.21 H new ATOM 0 HA ARG A 3 -31.645 -11.729 -21.682 1.00 72.32 H new ATOM 0 HB2 ARG A 3 -34.423 -11.509 -22.947 1.00 54.41 H new ATOM 0 HB3 ARG A 3 -33.064 -10.467 -23.320 1.00 54.41 H new ATOM 0 HG2 ARG A 3 -33.241 -13.456 -23.867 1.00 50.12 H new ATOM 0 HG3 ARG A 3 -33.350 -12.174 -25.057 1.00 50.12 H new ATOM 0 HD2 ARG A 3 -31.020 -11.471 -24.517 1.00 24.02 H new ATOM 0 HD3 ARG A 3 -30.910 -12.750 -23.323 1.00 24.02 H new ATOM 0 HE ARG A 3 -31.207 -13.199 -26.274 1.00 24.04 H new ATOM 0 HH11 ARG A 3 -30.162 -14.207 -23.096 1.00 74.21 H new ATOM 0 HH12 ARG A 3 -29.354 -15.652 -23.713 1.00 74.21 H new ATOM 0 HH21 ARG A 3 -30.165 -15.004 -27.024 1.00 44.23 H new ATOM 0 HH22 ARG A 3 -29.356 -16.094 -25.893 1.00 44.23 H new ATOM 46 N ARG A 4 -32.318 -9.730 -20.358 1.00 22.11 N ATOM 47 CA ARG A 4 -32.667 -8.560 -19.535 1.00 34.15 C ATOM 48 C ARG A 4 -32.488 -7.263 -20.340 1.00 1.21 C ATOM 49 O ARG A 4 -31.800 -7.252 -21.364 1.00 72.34 O ATOM 50 CB ARG A 4 -31.808 -8.495 -18.255 1.00 42.30 C ATOM 51 CG ARG A 4 -31.887 -9.747 -17.378 1.00 43.55 C ATOM 52 CD ARG A 4 -30.928 -10.840 -17.846 1.00 22.22 C ATOM 53 NE ARG A 4 -31.184 -12.114 -17.183 1.00 73.32 N ATOM 54 CZ ARG A 4 -30.410 -12.657 -16.282 1.00 4.33 C ATOM 55 NH1 ARG A 4 -29.359 -12.043 -15.846 1.00 3.44 N ATOM 56 NH2 ARG A 4 -30.708 -13.819 -15.809 1.00 20.21 N ATOM 0 H ARG A 4 -31.352 -9.736 -20.686 1.00 22.11 H new ATOM 0 HA ARG A 4 -33.712 -8.665 -19.244 1.00 34.15 H new ATOM 0 HB2 ARG A 4 -30.768 -8.329 -18.537 1.00 42.30 H new ATOM 0 HB3 ARG A 4 -32.120 -7.633 -17.666 1.00 42.30 H new ATOM 0 HG2 ARG A 4 -31.657 -9.481 -16.346 1.00 43.55 H new ATOM 0 HG3 ARG A 4 -32.907 -10.132 -17.388 1.00 43.55 H new ATOM 0 HD2 ARG A 4 -31.022 -10.967 -18.924 1.00 22.22 H new ATOM 0 HD3 ARG A 4 -29.902 -10.530 -17.650 1.00 22.22 H new ATOM 0 HE ARG A 4 -32.031 -12.619 -17.443 1.00 73.32 H new ATOM 0 HH11 ARG A 4 -29.122 -11.118 -16.206 1.00 3.44 H new ATOM 0 HH12 ARG A 4 -28.767 -12.483 -15.142 1.00 3.44 H new ATOM 0 HH21 ARG A 4 -31.542 -14.305 -16.139 1.00 20.21 H new ATOM 0 HH22 ARG A 4 -30.110 -14.252 -15.105 1.00 20.21 H new ATOM 70 N VAL A 5 -33.105 -6.175 -19.879 1.00 74.51 N ATOM 71 CA VAL A 5 -32.979 -4.872 -20.547 1.00 51.34 C ATOM 72 C VAL A 5 -31.556 -4.308 -20.404 1.00 20.31 C ATOM 73 O VAL A 5 -31.174 -3.801 -19.345 1.00 62.11 O ATOM 74 CB VAL A 5 -34.003 -3.849 -19.986 1.00 52.42 C ATOM 75 CG1 VAL A 5 -33.857 -2.493 -20.676 1.00 62.22 C ATOM 76 CG2 VAL A 5 -35.426 -4.381 -20.133 1.00 43.05 C ATOM 0 H VAL A 5 -33.696 -6.166 -19.048 1.00 74.51 H new ATOM 0 HA VAL A 5 -33.189 -5.034 -21.604 1.00 51.34 H new ATOM 0 HB VAL A 5 -33.796 -3.709 -18.925 1.00 52.42 H new ATOM 0 HG11 VAL A 5 -34.586 -1.795 -20.264 1.00 62.22 H new ATOM 0 HG12 VAL A 5 -32.851 -2.107 -20.510 1.00 62.22 H new ATOM 0 HG13 VAL A 5 -34.030 -2.609 -21.746 1.00 62.22 H new ATOM 0 HG21 VAL A 5 -36.130 -3.651 -19.735 1.00 43.05 H new ATOM 0 HG22 VAL A 5 -35.642 -4.556 -21.187 1.00 43.05 H new ATOM 0 HG23 VAL A 5 -35.523 -5.317 -19.583 1.00 43.05 H new ATOM 86 N ARG A 6 -30.769 -4.417 -21.472 1.00 4.15 N ATOM 87 CA ARG A 6 -29.387 -3.929 -21.474 1.00 4.40 C ATOM 88 C ARG A 6 -29.317 -2.451 -21.882 1.00 10.13 C ATOM 89 O ARG A 6 -29.268 -2.124 -23.071 1.00 50.24 O ATOM 90 CB ARG A 6 -28.527 -4.776 -22.421 1.00 24.21 C ATOM 91 CG ARG A 6 -28.436 -6.248 -22.023 1.00 73.14 C ATOM 92 CD ARG A 6 -27.560 -7.039 -22.991 1.00 3.13 C ATOM 93 NE ARG A 6 -26.218 -6.469 -23.100 1.00 20.25 N ATOM 94 CZ ARG A 6 -25.499 -6.476 -24.192 1.00 72.24 C ATOM 95 NH1 ARG A 6 -25.930 -7.061 -25.264 1.00 41.22 N ATOM 96 NH2 ARG A 6 -24.342 -5.900 -24.205 1.00 24.25 N ATOM 0 H ARG A 6 -31.064 -4.840 -22.352 1.00 4.15 H new ATOM 0 HA ARG A 6 -28.999 -4.019 -20.459 1.00 4.40 H new ATOM 0 HB2 ARG A 6 -28.937 -4.707 -23.429 1.00 24.21 H new ATOM 0 HB3 ARG A 6 -27.522 -4.356 -22.456 1.00 24.21 H new ATOM 0 HG2 ARG A 6 -28.029 -6.328 -21.015 1.00 73.14 H new ATOM 0 HG3 ARG A 6 -29.436 -6.681 -21.999 1.00 73.14 H new ATOM 0 HD2 ARG A 6 -27.489 -8.073 -22.655 1.00 3.13 H new ATOM 0 HD3 ARG A 6 -28.029 -7.055 -23.975 1.00 3.13 H new ATOM 0 HE ARG A 6 -25.816 -6.037 -22.268 1.00 20.25 H new ATOM 0 HH11 ARG A 6 -26.839 -7.523 -25.262 1.00 41.22 H new ATOM 0 HH12 ARG A 6 -25.360 -7.060 -26.110 1.00 41.22 H new ATOM 0 HH21 ARG A 6 -23.991 -5.441 -23.364 1.00 24.25 H new ATOM 0 HH22 ARG A 6 -23.780 -5.904 -25.056 1.00 24.25 H new ATOM 110 N LEU A 7 -29.317 -1.562 -20.891 1.00 13.50 N ATOM 111 CA LEU A 7 -29.290 -0.113 -21.142 1.00 55.02 C ATOM 112 C LEU A 7 -28.003 0.544 -20.610 1.00 33.13 C ATOM 113 O LEU A 7 -27.902 1.770 -20.538 1.00 55.33 O ATOM 114 CB LEU A 7 -30.546 0.551 -20.537 1.00 34.12 C ATOM 115 CG LEU A 7 -30.951 0.091 -19.118 1.00 30.15 C ATOM 116 CD1 LEU A 7 -29.917 0.501 -18.069 1.00 60.13 C ATOM 117 CD2 LEU A 7 -32.331 0.631 -18.755 1.00 53.50 C ATOM 0 H LEU A 7 -29.335 -1.815 -19.903 1.00 13.50 H new ATOM 0 HA LEU A 7 -29.295 0.040 -22.221 1.00 55.02 H new ATOM 0 HB2 LEU A 7 -30.385 1.629 -20.514 1.00 34.12 H new ATOM 0 HB3 LEU A 7 -31.386 0.369 -21.208 1.00 34.12 H new ATOM 0 HG LEU A 7 -30.991 -0.998 -19.125 1.00 30.15 H new ATOM 0 HD11 LEU A 7 -30.240 0.158 -17.086 1.00 60.13 H new ATOM 0 HD12 LEU A 7 -28.954 0.051 -18.312 1.00 60.13 H new ATOM 0 HD13 LEU A 7 -29.818 1.586 -18.060 1.00 60.13 H new ATOM 0 HD21 LEU A 7 -32.600 0.297 -17.753 1.00 53.50 H new ATOM 0 HD22 LEU A 7 -32.314 1.721 -18.782 1.00 53.50 H new ATOM 0 HD23 LEU A 7 -33.066 0.261 -19.470 1.00 53.50 H new ATOM 129 N ILE A 8 -27.018 -0.274 -20.241 1.00 11.03 N ATOM 130 CA ILE A 8 -25.729 0.247 -19.775 1.00 24.53 C ATOM 131 C ILE A 8 -24.954 0.914 -20.930 1.00 23.42 C ATOM 132 O ILE A 8 -24.512 0.255 -21.875 1.00 63.11 O ATOM 133 CB ILE A 8 -24.866 -0.857 -19.106 1.00 51.14 C ATOM 134 CG1 ILE A 8 -23.491 -0.292 -18.705 1.00 64.05 C ATOM 135 CG2 ILE A 8 -24.717 -2.072 -20.020 1.00 61.04 C ATOM 136 CD1 ILE A 8 -22.607 -1.281 -17.978 1.00 32.55 C ATOM 0 H ILE A 8 -27.084 -1.292 -20.254 1.00 11.03 H new ATOM 0 HA ILE A 8 -25.942 1.002 -19.018 1.00 24.53 H new ATOM 0 HB ILE A 8 -25.377 -1.189 -18.202 1.00 51.14 H new ATOM 0 HG12 ILE A 8 -22.975 0.050 -19.602 1.00 64.05 H new ATOM 0 HG13 ILE A 8 -23.640 0.582 -18.070 1.00 64.05 H new ATOM 0 HG21 ILE A 8 -24.108 -2.828 -19.524 1.00 61.04 H new ATOM 0 HG22 ILE A 8 -25.701 -2.486 -20.239 1.00 61.04 H new ATOM 0 HG23 ILE A 8 -24.235 -1.771 -20.950 1.00 61.04 H new ATOM 0 HD11 ILE A 8 -21.657 -0.807 -17.730 1.00 32.55 H new ATOM 0 HD12 ILE A 8 -23.101 -1.605 -17.062 1.00 32.55 H new ATOM 0 HD13 ILE A 8 -22.425 -2.145 -18.617 1.00 32.55 H new ATOM 148 N ARG A 9 -24.791 2.234 -20.840 1.00 60.12 N ATOM 149 CA ARG A 9 -24.210 3.028 -21.933 1.00 60.42 C ATOM 150 C ARG A 9 -22.918 3.749 -21.512 1.00 62.01 C ATOM 151 O ARG A 9 -22.661 3.959 -20.326 1.00 3.51 O ATOM 152 CB ARG A 9 -25.244 4.040 -22.485 1.00 73.31 C ATOM 153 CG ARG A 9 -26.197 4.647 -21.444 1.00 61.02 C ATOM 154 CD ARG A 9 -25.465 5.392 -20.330 1.00 24.13 C ATOM 155 NE ARG A 9 -26.382 6.041 -19.386 1.00 45.54 N ATOM 156 CZ ARG A 9 -27.184 5.406 -18.565 1.00 72.15 C ATOM 157 NH1 ARG A 9 -27.322 4.119 -18.621 1.00 4.14 N ATOM 158 NH2 ARG A 9 -27.884 6.069 -17.707 1.00 71.10 N ATOM 0 H ARG A 9 -25.053 2.781 -20.020 1.00 60.12 H new ATOM 0 HA ARG A 9 -23.942 2.329 -22.726 1.00 60.42 H new ATOM 0 HB2 ARG A 9 -24.706 4.851 -22.976 1.00 73.31 H new ATOM 0 HB3 ARG A 9 -25.840 3.543 -23.251 1.00 73.31 H new ATOM 0 HG2 ARG A 9 -26.883 5.332 -21.943 1.00 61.02 H new ATOM 0 HG3 ARG A 9 -26.802 3.853 -21.006 1.00 61.02 H new ATOM 0 HD2 ARG A 9 -24.828 4.693 -19.789 1.00 24.13 H new ATOM 0 HD3 ARG A 9 -24.811 6.144 -20.770 1.00 24.13 H new ATOM 0 HE ARG A 9 -26.397 7.061 -19.367 1.00 45.54 H new ATOM 0 HH11 ARG A 9 -26.802 3.580 -19.313 1.00 4.14 H new ATOM 0 HH12 ARG A 9 -27.951 3.645 -17.973 1.00 4.14 H new ATOM 0 HH21 ARG A 9 -27.813 7.086 -17.668 1.00 71.10 H new ATOM 0 HH22 ARG A 9 -28.508 5.576 -17.068 1.00 71.10 H new ATOM 172 N THR A 10 -22.123 4.142 -22.505 1.00 14.32 N ATOM 173 CA THR A 10 -20.836 4.808 -22.266 1.00 62.51 C ATOM 174 C THR A 10 -21.006 6.277 -21.846 1.00 43.13 C ATOM 175 O THR A 10 -21.369 7.130 -22.656 1.00 71.41 O ATOM 176 CB THR A 10 -19.928 4.741 -23.522 1.00 63.50 C ATOM 177 OG1 THR A 10 -18.737 5.526 -23.330 1.00 44.25 O ATOM 178 CG2 THR A 10 -20.668 5.216 -24.771 1.00 20.13 C ATOM 0 H THR A 10 -22.346 4.011 -23.492 1.00 14.32 H new ATOM 0 HA THR A 10 -20.364 4.269 -21.445 1.00 62.51 H new ATOM 0 HB THR A 10 -19.647 3.698 -23.667 1.00 63.50 H new ATOM 0 HG1 THR A 10 -18.176 5.471 -24.132 1.00 44.25 H new ATOM 0 HG21 THR A 10 -20.003 5.156 -25.633 1.00 20.13 H new ATOM 0 HG22 THR A 10 -21.539 4.583 -24.940 1.00 20.13 H new ATOM 0 HG23 THR A 10 -20.990 6.248 -24.632 1.00 20.13 H new ATOM 186 N ARG A 11 -20.756 6.562 -20.567 1.00 2.33 N ATOM 187 CA ARG A 11 -20.783 7.937 -20.048 1.00 43.42 C ATOM 188 C ARG A 11 -19.749 8.128 -18.927 1.00 11.45 C ATOM 189 O ARG A 11 -19.466 7.207 -18.157 1.00 55.12 O ATOM 190 CB ARG A 11 -22.193 8.312 -19.546 1.00 70.44 C ATOM 191 CG ARG A 11 -23.198 8.586 -20.664 1.00 14.44 C ATOM 192 CD ARG A 11 -22.745 9.744 -21.548 1.00 53.24 C ATOM 193 NE ARG A 11 -23.588 9.913 -22.732 1.00 10.25 N ATOM 194 CZ ARG A 11 -23.212 10.566 -23.804 1.00 11.33 C ATOM 195 NH1 ARG A 11 -22.031 11.096 -23.873 1.00 35.51 N ATOM 196 NH2 ARG A 11 -24.014 10.678 -24.814 1.00 43.43 N ATOM 0 H ARG A 11 -20.531 5.857 -19.865 1.00 2.33 H new ATOM 0 HA ARG A 11 -20.522 8.603 -20.870 1.00 43.42 H new ATOM 0 HB2 ARG A 11 -22.572 7.503 -18.921 1.00 70.44 H new ATOM 0 HB3 ARG A 11 -22.119 9.196 -18.913 1.00 70.44 H new ATOM 0 HG2 ARG A 11 -23.322 7.690 -21.271 1.00 14.44 H new ATOM 0 HG3 ARG A 11 -24.172 8.816 -20.232 1.00 14.44 H new ATOM 0 HD2 ARG A 11 -22.754 10.665 -20.966 1.00 53.24 H new ATOM 0 HD3 ARG A 11 -21.715 9.575 -21.861 1.00 53.24 H new ATOM 0 HE ARG A 11 -24.520 9.499 -22.722 1.00 10.25 H new ATOM 0 HH11 ARG A 11 -21.385 11.007 -23.089 1.00 35.51 H new ATOM 0 HH12 ARG A 11 -21.747 11.602 -24.712 1.00 35.51 H new ATOM 0 HH21 ARG A 11 -24.942 10.257 -24.777 1.00 43.43 H new ATOM 0 HH22 ARG A 11 -23.718 11.187 -25.647 1.00 43.43 H new ATOM 210 N GLY A 12 -19.188 9.333 -18.847 1.00 14.11 N ATOM 211 CA GLY A 12 -18.188 9.640 -17.832 1.00 12.41 C ATOM 212 C GLY A 12 -18.762 9.670 -16.417 1.00 52.15 C ATOM 213 O GLY A 12 -19.271 10.699 -15.968 1.00 54.53 O ATOM 0 H GLY A 12 -19.409 10.109 -19.471 1.00 14.11 H new ATOM 0 HA2 GLY A 12 -17.391 8.898 -17.879 1.00 12.41 H new ATOM 0 HA3 GLY A 12 -17.737 10.607 -18.055 1.00 12.41 H new ATOM 217 N GLY A 13 -18.702 8.535 -15.726 1.00 52.13 N ATOM 218 CA GLY A 13 -19.168 8.466 -14.344 1.00 45.02 C ATOM 219 C GLY A 13 -19.858 7.148 -14.006 1.00 32.13 C ATOM 220 O GLY A 13 -21.058 7.120 -13.717 1.00 11.40 O ATOM 0 H GLY A 13 -18.338 7.657 -16.096 1.00 52.13 H new ATOM 0 HA2 GLY A 13 -18.320 8.606 -13.674 1.00 45.02 H new ATOM 0 HA3 GLY A 13 -19.859 9.288 -14.159 1.00 45.02 H new ATOM 224 N ASN A 14 -19.097 6.057 -14.022 1.00 71.41 N ATOM 225 CA ASN A 14 -19.641 4.722 -13.740 1.00 61.11 C ATOM 226 C ASN A 14 -18.551 3.789 -13.179 1.00 62.00 C ATOM 227 O ASN A 14 -18.519 3.505 -11.980 1.00 22.02 O ATOM 228 CB ASN A 14 -20.259 4.119 -15.014 1.00 33.23 C ATOM 229 CG ASN A 14 -20.975 2.806 -14.747 1.00 23.14 C ATOM 230 OD1 ASN A 14 -20.381 1.734 -14.807 1.00 44.11 O ATOM 231 ND2 ASN A 14 -22.255 2.874 -14.449 1.00 23.41 N ATOM 0 H ASN A 14 -18.098 6.066 -14.227 1.00 71.41 H new ATOM 0 HA ASN A 14 -20.420 4.824 -12.985 1.00 61.11 H new ATOM 0 HB2 ASN A 14 -20.962 4.832 -15.445 1.00 33.23 H new ATOM 0 HB3 ASN A 14 -19.475 3.958 -15.753 1.00 33.23 H new ATOM 0 HD21 ASN A 14 -22.781 2.021 -14.260 1.00 23.41 H new ATOM 0 HD22 ASN A 14 -22.721 3.780 -14.407 1.00 23.41 H new ATOM 238 N THR A 15 -17.648 3.330 -14.045 1.00 1.52 N ATOM 239 CA THR A 15 -16.543 2.456 -13.621 1.00 73.14 C ATOM 240 C THR A 15 -15.326 2.586 -14.540 1.00 12.40 C ATOM 241 O THR A 15 -15.442 2.984 -15.701 1.00 4.04 O ATOM 242 CB THR A 15 -16.960 0.962 -13.577 1.00 50.22 C ATOM 243 OG1 THR A 15 -15.863 0.159 -13.103 1.00 42.43 O ATOM 244 CG2 THR A 15 -17.400 0.463 -14.955 1.00 42.12 C ATOM 0 H THR A 15 -17.655 3.545 -15.042 1.00 1.52 H new ATOM 0 HA THR A 15 -16.281 2.787 -12.616 1.00 73.14 H new ATOM 0 HB THR A 15 -17.805 0.872 -12.895 1.00 50.22 H new ATOM 0 HG1 THR A 15 -16.134 -0.782 -13.076 1.00 42.43 H new ATOM 0 HG21 THR A 15 -17.685 -0.587 -14.888 1.00 42.12 H new ATOM 0 HG22 THR A 15 -18.252 1.049 -15.299 1.00 42.12 H new ATOM 0 HG23 THR A 15 -16.577 0.571 -15.661 1.00 42.12 H new ATOM 252 N LYS A 16 -14.157 2.246 -14.008 1.00 72.11 N ATOM 253 CA LYS A 16 -12.917 2.220 -14.789 1.00 74.44 C ATOM 254 C LYS A 16 -12.584 0.783 -15.223 1.00 21.12 C ATOM 255 O LYS A 16 -13.341 -0.150 -14.941 1.00 12.25 O ATOM 256 CB LYS A 16 -11.758 2.796 -13.953 1.00 62.12 C ATOM 257 CG LYS A 16 -11.986 4.219 -13.429 1.00 23.20 C ATOM 258 CD LYS A 16 -11.642 5.308 -14.455 1.00 55.54 C ATOM 259 CE LYS A 16 -12.637 5.385 -15.612 1.00 63.53 C ATOM 260 NZ LYS A 16 -12.328 6.513 -16.532 1.00 24.32 N ATOM 0 H LYS A 16 -14.038 1.982 -13.030 1.00 72.11 H new ATOM 0 HA LYS A 16 -13.055 2.831 -15.681 1.00 74.44 H new ATOM 0 HB2 LYS A 16 -11.578 2.136 -13.104 1.00 62.12 H new ATOM 0 HB3 LYS A 16 -10.853 2.788 -14.560 1.00 62.12 H new ATOM 0 HG2 LYS A 16 -13.029 4.326 -13.132 1.00 23.20 H new ATOM 0 HG3 LYS A 16 -11.383 4.370 -12.534 1.00 23.20 H new ATOM 0 HD2 LYS A 16 -11.606 6.274 -13.951 1.00 55.54 H new ATOM 0 HD3 LYS A 16 -10.645 5.120 -14.854 1.00 55.54 H new ATOM 0 HE2 LYS A 16 -12.621 4.448 -16.168 1.00 63.53 H new ATOM 0 HE3 LYS A 16 -13.646 5.504 -15.217 1.00 63.53 H new ATOM 0 HZ1 LYS A 16 -13.025 6.532 -17.304 1.00 24.32 H new ATOM 0 HZ2 LYS A 16 -12.368 7.410 -16.007 1.00 24.32 H new ATOM 0 HZ3 LYS A 16 -11.375 6.386 -16.929 1.00 24.32 H new ATOM 274 N VAL A 17 -11.464 0.609 -15.919 1.00 25.33 N ATOM 275 CA VAL A 17 -10.994 -0.731 -16.286 1.00 61.53 C ATOM 276 C VAL A 17 -10.364 -1.441 -15.073 1.00 1.44 C ATOM 277 O VAL A 17 -9.901 -0.795 -14.130 1.00 24.55 O ATOM 278 CB VAL A 17 -9.974 -0.678 -17.457 1.00 74.22 C ATOM 279 CG1 VAL A 17 -8.706 0.065 -17.045 1.00 52.00 C ATOM 280 CG2 VAL A 17 -9.647 -2.086 -17.966 1.00 13.40 C ATOM 0 H VAL A 17 -10.866 1.370 -16.240 1.00 25.33 H new ATOM 0 HA VAL A 17 -11.863 -1.299 -16.618 1.00 61.53 H new ATOM 0 HB VAL A 17 -10.434 -0.126 -18.277 1.00 74.22 H new ATOM 0 HG11 VAL A 17 -8.009 0.088 -17.883 1.00 52.00 H new ATOM 0 HG12 VAL A 17 -8.960 1.085 -16.756 1.00 52.00 H new ATOM 0 HG13 VAL A 17 -8.243 -0.446 -16.201 1.00 52.00 H new ATOM 0 HG21 VAL A 17 -8.931 -2.020 -18.785 1.00 13.40 H new ATOM 0 HG22 VAL A 17 -9.218 -2.675 -17.156 1.00 13.40 H new ATOM 0 HG23 VAL A 17 -10.559 -2.566 -18.320 1.00 13.40 H new ATOM 290 N ARG A 18 -10.367 -2.771 -15.097 1.00 74.14 N ATOM 291 CA ARG A 18 -9.817 -3.570 -13.998 1.00 42.30 C ATOM 292 C ARG A 18 -8.300 -3.354 -13.825 1.00 44.03 C ATOM 293 O ARG A 18 -7.611 -2.907 -14.740 1.00 63.45 O ATOM 294 CB ARG A 18 -10.123 -5.052 -14.241 1.00 33.35 C ATOM 295 CG ARG A 18 -11.617 -5.352 -14.359 1.00 22.03 C ATOM 296 CD ARG A 18 -11.879 -6.812 -14.705 1.00 64.40 C ATOM 297 NE ARG A 18 -13.308 -7.087 -14.852 1.00 54.04 N ATOM 298 CZ ARG A 18 -13.852 -8.262 -14.700 1.00 51.35 C ATOM 299 NH1 ARG A 18 -13.139 -9.286 -14.352 1.00 75.14 N ATOM 300 NH2 ARG A 18 -15.120 -8.411 -14.887 1.00 3.44 N ATOM 0 H ARG A 18 -10.745 -3.323 -15.867 1.00 74.14 H new ATOM 0 HA ARG A 18 -10.292 -3.243 -13.073 1.00 42.30 H new ATOM 0 HB2 ARG A 18 -9.622 -5.374 -15.154 1.00 33.35 H new ATOM 0 HB3 ARG A 18 -9.705 -5.640 -13.424 1.00 33.35 H new ATOM 0 HG2 ARG A 18 -12.111 -5.108 -13.419 1.00 22.03 H new ATOM 0 HG3 ARG A 18 -12.056 -4.713 -15.125 1.00 22.03 H new ATOM 0 HD2 ARG A 18 -11.363 -7.064 -15.631 1.00 64.40 H new ATOM 0 HD3 ARG A 18 -11.464 -7.451 -13.925 1.00 64.40 H new ATOM 0 HE ARG A 18 -13.920 -6.307 -15.090 1.00 54.04 H new ATOM 0 HH11 ARG A 18 -12.137 -9.179 -14.193 1.00 75.14 H new ATOM 0 HH12 ARG A 18 -13.579 -10.199 -14.237 1.00 75.14 H new ATOM 0 HH21 ARG A 18 -15.694 -7.611 -15.153 1.00 3.44 H new ATOM 0 HH22 ARG A 18 -15.549 -9.329 -14.769 1.00 3.44 H new ATOM 314 N LEU A 19 -7.785 -3.721 -12.651 1.00 32.41 N ATOM 315 CA LEU A 19 -6.386 -3.440 -12.269 1.00 34.40 C ATOM 316 C LEU A 19 -5.335 -4.148 -13.153 1.00 54.12 C ATOM 317 O LEU A 19 -4.138 -4.046 -12.883 1.00 75.24 O ATOM 318 CB LEU A 19 -6.149 -3.819 -10.794 1.00 64.25 C ATOM 319 CG LEU A 19 -6.089 -5.331 -10.478 1.00 32.20 C ATOM 320 CD1 LEU A 19 -5.675 -5.559 -9.025 1.00 1.43 C ATOM 321 CD2 LEU A 19 -7.425 -6.018 -10.764 1.00 73.43 C ATOM 0 H LEU A 19 -8.316 -4.219 -11.936 1.00 32.41 H new ATOM 0 HA LEU A 19 -6.251 -2.369 -12.420 1.00 34.40 H new ATOM 0 HB2 LEU A 19 -5.213 -3.364 -10.470 1.00 64.25 H new ATOM 0 HB3 LEU A 19 -6.944 -3.375 -10.194 1.00 64.25 H new ATOM 0 HG LEU A 19 -5.339 -5.775 -11.132 1.00 32.20 H new ATOM 0 HD11 LEU A 19 -5.638 -6.629 -8.821 1.00 1.43 H new ATOM 0 HD12 LEU A 19 -4.691 -5.123 -8.854 1.00 1.43 H new ATOM 0 HD13 LEU A 19 -6.400 -5.088 -8.362 1.00 1.43 H new ATOM 0 HD21 LEU A 19 -7.346 -7.080 -10.530 1.00 73.43 H new ATOM 0 HD22 LEU A 19 -8.204 -5.568 -10.149 1.00 73.43 H new ATOM 0 HD23 LEU A 19 -7.679 -5.896 -11.817 1.00 73.43 H new ATOM 333 N ALA A 20 -5.773 -4.844 -14.203 1.00 41.34 N ATOM 334 CA ALA A 20 -4.859 -5.560 -15.109 1.00 1.40 C ATOM 335 C ALA A 20 -3.670 -4.682 -15.549 1.00 4.02 C ATOM 336 O ALA A 20 -2.509 -5.064 -15.384 1.00 33.11 O ATOM 337 CB ALA A 20 -5.620 -6.065 -16.329 1.00 63.44 C ATOM 0 H ALA A 20 -6.758 -4.930 -14.452 1.00 41.34 H new ATOM 0 HA ALA A 20 -4.451 -6.407 -14.558 1.00 1.40 H new ATOM 0 HB1 ALA A 20 -4.935 -6.593 -16.992 1.00 63.44 H new ATOM 0 HB2 ALA A 20 -6.411 -6.744 -16.009 1.00 63.44 H new ATOM 0 HB3 ALA A 20 -6.059 -5.220 -16.859 1.00 63.44 H new ATOM 343 N SER A 21 -3.968 -3.509 -16.111 1.00 65.13 N ATOM 344 CA SER A 21 -2.926 -2.543 -16.510 1.00 13.43 C ATOM 345 C SER A 21 -2.954 -1.303 -15.606 1.00 34.22 C ATOM 346 O SER A 21 -2.289 -0.299 -15.876 1.00 31.00 O ATOM 347 CB SER A 21 -3.118 -2.122 -17.975 1.00 54.55 C ATOM 348 OG SER A 21 -3.038 -3.236 -18.852 1.00 51.43 O ATOM 0 H SER A 21 -4.921 -3.199 -16.303 1.00 65.13 H new ATOM 0 HA SER A 21 -1.957 -3.031 -16.403 1.00 13.43 H new ATOM 0 HB2 SER A 21 -4.086 -1.635 -18.091 1.00 54.55 H new ATOM 0 HB3 SER A 21 -2.358 -1.389 -18.246 1.00 54.55 H new ATOM 0 HG SER A 21 -3.166 -2.935 -19.776 1.00 51.43 H new ATOM 354 N ASP A 22 -3.715 -1.399 -14.519 1.00 30.15 N ATOM 355 CA ASP A 22 -3.911 -0.284 -13.584 1.00 12.15 C ATOM 356 C ASP A 22 -3.732 -0.736 -12.127 1.00 55.25 C ATOM 357 O ASP A 22 -4.489 -0.329 -11.240 1.00 4.20 O ATOM 358 CB ASP A 22 -5.313 0.307 -13.782 1.00 73.41 C ATOM 359 CG ASP A 22 -5.426 1.130 -15.052 1.00 4.11 C ATOM 360 OD1 ASP A 22 -5.619 0.545 -16.135 1.00 1.54 O ATOM 361 OD2 ASP A 22 -5.311 2.375 -14.973 1.00 13.42 O ATOM 0 H ASP A 22 -4.215 -2.249 -14.258 1.00 30.15 H new ATOM 0 HA ASP A 22 -3.157 0.475 -13.792 1.00 12.15 H new ATOM 0 HB2 ASP A 22 -6.043 -0.502 -13.812 1.00 73.41 H new ATOM 0 HB3 ASP A 22 -5.564 0.932 -12.925 1.00 73.41 H new ATOM 366 N THR A 23 -2.720 -1.562 -11.871 1.00 0.10 N ATOM 367 CA THR A 23 -2.483 -2.076 -10.517 1.00 24.50 C ATOM 368 C THR A 23 -2.036 -0.946 -9.577 1.00 5.13 C ATOM 369 O THR A 23 -0.920 -0.433 -9.685 1.00 55.22 O ATOM 370 CB THR A 23 -1.408 -3.191 -10.523 1.00 11.32 C ATOM 371 OG1 THR A 23 -1.769 -4.221 -11.458 1.00 13.45 O ATOM 372 CG2 THR A 23 -1.237 -3.807 -9.140 1.00 44.22 C ATOM 0 H THR A 23 -2.055 -1.889 -12.572 1.00 0.10 H new ATOM 0 HA THR A 23 -3.423 -2.494 -10.158 1.00 24.50 H new ATOM 0 HB THR A 23 -0.463 -2.736 -10.819 1.00 11.32 H new ATOM 0 HG1 THR A 23 -2.660 -4.035 -11.822 1.00 13.45 H new ATOM 0 HG21 THR A 23 -0.475 -4.586 -9.180 1.00 44.22 H new ATOM 0 HG22 THR A 23 -0.930 -3.036 -8.433 1.00 44.22 H new ATOM 0 HG23 THR A 23 -2.183 -4.241 -8.816 1.00 44.22 H new ATOM 380 N ARG A 24 -2.904 -0.588 -8.631 1.00 44.23 N ATOM 381 CA ARG A 24 -2.665 0.543 -7.725 1.00 34.11 C ATOM 382 C ARG A 24 -3.309 0.306 -6.352 1.00 4.51 C ATOM 383 O ARG A 24 -4.182 -0.550 -6.200 1.00 4.21 O ATOM 384 CB ARG A 24 -3.216 1.848 -8.333 1.00 31.40 C ATOM 385 CG ARG A 24 -2.457 2.331 -9.569 1.00 51.35 C ATOM 386 CD ARG A 24 -3.112 3.554 -10.200 1.00 32.25 C ATOM 387 NE ARG A 24 -4.479 3.271 -10.637 1.00 54.34 N ATOM 388 CZ ARG A 24 -4.863 3.257 -11.885 1.00 21.14 C ATOM 389 NH1 ARG A 24 -4.031 3.526 -12.839 1.00 41.53 N ATOM 390 NH2 ARG A 24 -6.086 2.971 -12.185 1.00 45.45 N ATOM 0 H ARG A 24 -3.789 -1.069 -8.469 1.00 44.23 H new ATOM 0 HA ARG A 24 -1.587 0.632 -7.591 1.00 34.11 H new ATOM 0 HB2 ARG A 24 -4.263 1.699 -8.598 1.00 31.40 H new ATOM 0 HB3 ARG A 24 -3.188 2.630 -7.574 1.00 31.40 H new ATOM 0 HG2 ARG A 24 -1.430 2.572 -9.293 1.00 51.35 H new ATOM 0 HG3 ARG A 24 -2.409 1.526 -10.303 1.00 51.35 H new ATOM 0 HD2 ARG A 24 -3.122 4.373 -9.481 1.00 32.25 H new ATOM 0 HD3 ARG A 24 -2.519 3.885 -11.052 1.00 32.25 H new ATOM 0 HE ARG A 24 -5.177 3.072 -9.921 1.00 54.34 H new ATOM 0 HH11 ARG A 24 -3.061 3.753 -12.621 1.00 41.53 H new ATOM 0 HH12 ARG A 24 -4.345 3.511 -13.809 1.00 41.53 H new ATOM 0 HH21 ARG A 24 -6.755 2.755 -11.446 1.00 45.45 H new ATOM 0 HH22 ARG A 24 -6.383 2.961 -13.161 1.00 45.45 H new ATOM 404 N ILE A 25 -2.883 1.084 -5.361 1.00 3.43 N ATOM 405 CA ILE A 25 -3.381 0.940 -3.993 1.00 15.03 C ATOM 406 C ILE A 25 -3.423 2.292 -3.255 1.00 73.20 C ATOM 407 O ILE A 25 -2.473 3.075 -3.316 1.00 33.30 O ATOM 408 CB ILE A 25 -2.501 -0.064 -3.197 1.00 20.22 C ATOM 409 CG1 ILE A 25 -3.036 -0.259 -1.766 1.00 3.54 C ATOM 410 CG2 ILE A 25 -1.046 0.403 -3.172 1.00 23.44 C ATOM 411 CD1 ILE A 25 -2.308 -1.332 -0.979 1.00 43.24 C ATOM 0 H ILE A 25 -2.191 1.824 -5.479 1.00 3.43 H new ATOM 0 HA ILE A 25 -4.400 0.558 -4.058 1.00 15.03 H new ATOM 0 HB ILE A 25 -2.546 -1.028 -3.704 1.00 20.22 H new ATOM 0 HG12 ILE A 25 -2.961 0.686 -1.228 1.00 3.54 H new ATOM 0 HG13 ILE A 25 -4.095 -0.514 -1.816 1.00 3.54 H new ATOM 0 HG21 ILE A 25 -0.444 -0.312 -2.611 1.00 23.44 H new ATOM 0 HG22 ILE A 25 -0.669 0.473 -4.192 1.00 23.44 H new ATOM 0 HG23 ILE A 25 -0.986 1.381 -2.695 1.00 23.44 H new ATOM 0 HD11 ILE A 25 -2.742 -1.410 0.018 1.00 43.24 H new ATOM 0 HD12 ILE A 25 -2.405 -2.289 -1.493 1.00 43.24 H new ATOM 0 HD13 ILE A 25 -1.253 -1.070 -0.896 1.00 43.24 H new ATOM 423 N ASN A 26 -4.544 2.576 -2.595 1.00 54.22 N ATOM 424 CA ASN A 26 -4.652 3.737 -1.709 1.00 10.13 C ATOM 425 C ASN A 26 -3.727 3.567 -0.498 1.00 5.41 C ATOM 426 O ASN A 26 -4.020 2.803 0.426 1.00 1.35 O ATOM 427 CB ASN A 26 -6.100 3.924 -1.234 1.00 45.14 C ATOM 428 CG ASN A 26 -7.069 4.146 -2.380 1.00 2.11 C ATOM 429 OD1 ASN A 26 -6.702 4.656 -3.427 1.00 4.12 O ATOM 430 ND2 ASN A 26 -8.317 3.767 -2.190 1.00 3.13 N ATOM 0 H ASN A 26 -5.395 2.016 -2.657 1.00 54.22 H new ATOM 0 HA ASN A 26 -4.351 4.622 -2.269 1.00 10.13 H new ATOM 0 HB2 ASN A 26 -6.409 3.045 -0.668 1.00 45.14 H new ATOM 0 HB3 ASN A 26 -6.148 4.774 -0.554 1.00 45.14 H new ATOM 0 HD21 ASN A 26 -9.008 3.897 -2.929 1.00 3.13 H new ATOM 0 HD22 ASN A 26 -8.592 3.344 -1.304 1.00 3.13 H new ATOM 437 N VAL A 27 -2.603 4.266 -0.523 1.00 62.14 N ATOM 438 CA VAL A 27 -1.603 4.168 0.536 1.00 21.04 C ATOM 439 C VAL A 27 -1.918 5.117 1.700 1.00 24.10 C ATOM 440 O VAL A 27 -2.021 6.331 1.515 1.00 44.12 O ATOM 441 CB VAL A 27 -0.192 4.484 -0.013 1.00 14.25 C ATOM 442 CG1 VAL A 27 0.863 4.382 1.085 1.00 41.02 C ATOM 443 CG2 VAL A 27 0.146 3.562 -1.181 1.00 24.24 C ATOM 0 H VAL A 27 -2.356 4.914 -1.271 1.00 62.14 H new ATOM 0 HA VAL A 27 -1.628 3.143 0.907 1.00 21.04 H new ATOM 0 HB VAL A 27 -0.193 5.512 -0.376 1.00 14.25 H new ATOM 0 HG11 VAL A 27 1.844 4.609 0.669 1.00 41.02 H new ATOM 0 HG12 VAL A 27 0.632 5.092 1.879 1.00 41.02 H new ATOM 0 HG13 VAL A 27 0.867 3.371 1.493 1.00 41.02 H new ATOM 0 HG21 VAL A 27 1.142 3.799 -1.555 1.00 24.24 H new ATOM 0 HG22 VAL A 27 0.121 2.525 -0.845 1.00 24.24 H new ATOM 0 HG23 VAL A 27 -0.584 3.703 -1.979 1.00 24.24 H new ATOM 453 N VAL A 28 -2.066 4.558 2.896 1.00 4.24 N ATOM 454 CA VAL A 28 -2.292 5.358 4.102 1.00 23.55 C ATOM 455 C VAL A 28 -0.967 5.630 4.828 1.00 75.41 C ATOM 456 O VAL A 28 -0.375 4.733 5.433 1.00 73.35 O ATOM 457 CB VAL A 28 -3.277 4.663 5.078 1.00 2.03 C ATOM 458 CG1 VAL A 28 -3.540 5.542 6.303 1.00 41.33 C ATOM 459 CG2 VAL A 28 -4.588 4.313 4.370 1.00 41.40 C ATOM 0 H VAL A 28 -2.034 3.552 3.060 1.00 4.24 H new ATOM 0 HA VAL A 28 -2.733 6.301 3.780 1.00 23.55 H new ATOM 0 HB VAL A 28 -2.817 3.735 5.419 1.00 2.03 H new ATOM 0 HG11 VAL A 28 -4.233 5.034 6.973 1.00 41.33 H new ATOM 0 HG12 VAL A 28 -2.602 5.729 6.825 1.00 41.33 H new ATOM 0 HG13 VAL A 28 -3.973 6.490 5.984 1.00 41.33 H new ATOM 0 HG21 VAL A 28 -5.263 3.827 5.074 1.00 41.40 H new ATOM 0 HG22 VAL A 28 -5.052 5.224 3.993 1.00 41.40 H new ATOM 0 HG23 VAL A 28 -4.384 3.639 3.538 1.00 41.40 H new ATOM 469 N ASP A 29 -0.499 6.870 4.734 1.00 44.01 N ATOM 470 CA ASP A 29 0.754 7.293 5.355 1.00 3.40 C ATOM 471 C ASP A 29 0.590 7.426 6.887 1.00 11.02 C ATOM 472 O ASP A 29 -0.144 8.294 7.364 1.00 2.44 O ATOM 473 CB ASP A 29 1.170 8.634 4.731 1.00 15.52 C ATOM 474 CG ASP A 29 2.559 9.088 5.132 1.00 0.53 C ATOM 475 OD1 ASP A 29 2.773 9.362 6.325 1.00 61.03 O ATOM 476 OD2 ASP A 29 3.424 9.225 4.246 1.00 23.20 O ATOM 0 H ASP A 29 -0.978 7.613 4.224 1.00 44.01 H new ATOM 0 HA ASP A 29 1.527 6.546 5.177 1.00 3.40 H new ATOM 0 HB2 ASP A 29 1.125 8.549 3.645 1.00 15.52 H new ATOM 0 HB3 ASP A 29 0.450 9.399 5.021 1.00 15.52 H new ATOM 481 N PRO A 30 1.268 6.571 7.678 1.00 12.40 N ATOM 482 CA PRO A 30 1.145 6.581 9.148 1.00 51.01 C ATOM 483 C PRO A 30 1.933 7.724 9.822 1.00 75.32 C ATOM 484 O PRO A 30 1.756 7.996 11.012 1.00 33.32 O ATOM 485 CB PRO A 30 1.719 5.216 9.542 1.00 60.35 C ATOM 486 CG PRO A 30 2.739 4.928 8.492 1.00 3.23 C ATOM 487 CD PRO A 30 2.197 5.519 7.213 1.00 2.14 C ATOM 0 HA PRO A 30 0.117 6.748 9.469 1.00 51.01 H new ATOM 0 HB2 PRO A 30 2.168 5.245 10.535 1.00 60.35 H new ATOM 0 HB3 PRO A 30 0.944 4.450 9.564 1.00 60.35 H new ATOM 0 HG2 PRO A 30 3.701 5.372 8.750 1.00 3.23 H new ATOM 0 HG3 PRO A 30 2.900 3.855 8.388 1.00 3.23 H new ATOM 0 HD2 PRO A 30 2.993 5.933 6.594 1.00 2.14 H new ATOM 0 HD3 PRO A 30 1.684 4.769 6.612 1.00 2.14 H new ATOM 495 N GLU A 31 2.790 8.396 9.057 1.00 72.24 N ATOM 496 CA GLU A 31 3.637 9.472 9.594 1.00 73.22 C ATOM 497 C GLU A 31 2.930 10.837 9.544 1.00 12.12 C ATOM 498 O GLU A 31 3.075 11.662 10.451 1.00 21.51 O ATOM 499 CB GLU A 31 4.952 9.537 8.803 1.00 14.23 C ATOM 500 CG GLU A 31 5.759 8.243 8.849 1.00 31.13 C ATOM 501 CD GLU A 31 6.215 7.887 10.254 1.00 15.54 C ATOM 502 OE1 GLU A 31 7.280 8.381 10.678 1.00 5.15 O ATOM 503 OE2 GLU A 31 5.510 7.122 10.944 1.00 53.35 O ATOM 0 H GLU A 31 2.920 8.218 8.061 1.00 72.24 H new ATOM 0 HA GLU A 31 3.843 9.245 10.640 1.00 73.22 H new ATOM 0 HB2 GLU A 31 4.729 9.779 7.764 1.00 14.23 H new ATOM 0 HB3 GLU A 31 5.563 10.350 9.196 1.00 14.23 H new ATOM 0 HG2 GLU A 31 5.155 7.428 8.450 1.00 31.13 H new ATOM 0 HG3 GLU A 31 6.631 8.340 8.202 1.00 31.13 H new ATOM 510 N THR A 32 2.168 11.062 8.479 1.00 44.54 N ATOM 511 CA THR A 32 1.466 12.337 8.256 1.00 63.13 C ATOM 512 C THR A 32 -0.062 12.173 8.287 1.00 64.24 C ATOM 513 O THR A 32 -0.790 13.119 8.598 1.00 45.42 O ATOM 514 CB THR A 32 1.873 12.965 6.897 1.00 14.44 C ATOM 515 OG1 THR A 32 1.732 11.997 5.842 1.00 65.22 O ATOM 516 CG2 THR A 32 3.314 13.467 6.934 1.00 63.23 C ATOM 0 H THR A 32 2.015 10.372 7.743 1.00 44.54 H new ATOM 0 HA THR A 32 1.762 12.995 9.073 1.00 63.13 H new ATOM 0 HB THR A 32 1.213 13.812 6.708 1.00 14.44 H new ATOM 0 HG1 THR A 32 1.208 11.235 6.165 1.00 65.22 H new ATOM 0 HG21 THR A 32 3.573 13.902 5.969 1.00 63.23 H new ATOM 0 HG22 THR A 32 3.416 14.224 7.712 1.00 63.23 H new ATOM 0 HG23 THR A 32 3.984 12.634 7.148 1.00 63.23 H new ATOM 524 N GLY A 33 -0.545 10.972 7.964 1.00 73.01 N ATOM 525 CA GLY A 33 -1.984 10.709 7.952 1.00 75.21 C ATOM 526 C GLY A 33 -2.650 10.997 6.607 1.00 5.03 C ATOM 527 O GLY A 33 -3.876 11.103 6.524 1.00 65.21 O ATOM 0 H GLY A 33 0.034 10.172 7.709 1.00 73.01 H new ATOM 0 HA2 GLY A 33 -2.156 9.666 8.216 1.00 75.21 H new ATOM 0 HA3 GLY A 33 -2.462 11.316 8.721 1.00 75.21 H new ATOM 531 N LYS A 34 -1.850 11.124 5.551 1.00 44.24 N ATOM 532 CA LYS A 34 -2.380 11.370 4.202 1.00 10.43 C ATOM 533 C LYS A 34 -2.652 10.055 3.455 1.00 5.22 C ATOM 534 O LYS A 34 -2.007 9.040 3.707 1.00 4.41 O ATOM 535 CB LYS A 34 -1.397 12.220 3.381 1.00 4.44 C ATOM 536 CG LYS A 34 -0.034 11.559 3.187 1.00 14.11 C ATOM 537 CD LYS A 34 0.831 12.299 2.169 1.00 45.32 C ATOM 538 CE LYS A 34 2.200 11.641 2.018 1.00 54.13 C ATOM 539 NZ LYS A 34 3.026 11.773 3.252 1.00 23.33 N ATOM 0 H LYS A 34 -0.833 11.062 5.598 1.00 44.24 H new ATOM 0 HA LYS A 34 -3.321 11.908 4.319 1.00 10.43 H new ATOM 0 HB2 LYS A 34 -1.835 12.425 2.404 1.00 4.44 H new ATOM 0 HB3 LYS A 34 -1.259 13.181 3.876 1.00 4.44 H new ATOM 0 HG2 LYS A 34 0.488 11.520 4.143 1.00 14.11 H new ATOM 0 HG3 LYS A 34 -0.176 10.529 2.859 1.00 14.11 H new ATOM 0 HD2 LYS A 34 0.325 12.316 1.204 1.00 45.32 H new ATOM 0 HD3 LYS A 34 0.956 13.336 2.481 1.00 45.32 H new ATOM 0 HE2 LYS A 34 2.070 10.585 1.781 1.00 54.13 H new ATOM 0 HE3 LYS A 34 2.728 12.093 1.179 1.00 54.13 H new ATOM 0 HZ1 LYS A 34 3.446 10.851 3.489 1.00 23.33 H new ATOM 0 HZ2 LYS A 34 3.784 12.467 3.090 1.00 23.33 H new ATOM 0 HZ3 LYS A 34 2.426 12.093 4.039 1.00 23.33 H new ATOM 553 N VAL A 35 -3.607 10.087 2.528 1.00 74.03 N ATOM 554 CA VAL A 35 -3.910 8.930 1.676 1.00 23.41 C ATOM 555 C VAL A 35 -3.625 9.252 0.198 1.00 54.24 C ATOM 556 O VAL A 35 -4.212 10.176 -0.368 1.00 54.21 O ATOM 557 CB VAL A 35 -5.386 8.481 1.831 1.00 73.31 C ATOM 558 CG1 VAL A 35 -5.693 7.287 0.924 1.00 40.41 C ATOM 559 CG2 VAL A 35 -5.696 8.145 3.290 1.00 43.04 C ATOM 0 H VAL A 35 -4.189 10.904 2.344 1.00 74.03 H new ATOM 0 HA VAL A 35 -3.264 8.114 1.999 1.00 23.41 H new ATOM 0 HB VAL A 35 -6.026 9.309 1.526 1.00 73.31 H new ATOM 0 HG11 VAL A 35 -6.734 6.991 1.052 1.00 40.41 H new ATOM 0 HG12 VAL A 35 -5.520 7.566 -0.115 1.00 40.41 H new ATOM 0 HG13 VAL A 35 -5.044 6.452 1.189 1.00 40.41 H new ATOM 0 HG21 VAL A 35 -6.736 7.832 3.378 1.00 43.04 H new ATOM 0 HG22 VAL A 35 -5.045 7.337 3.624 1.00 43.04 H new ATOM 0 HG23 VAL A 35 -5.528 9.026 3.910 1.00 43.04 H new ATOM 569 N GLU A 36 -2.719 8.493 -0.418 1.00 2.13 N ATOM 570 CA GLU A 36 -2.339 8.722 -1.820 1.00 62.41 C ATOM 571 C GLU A 36 -2.317 7.411 -2.622 1.00 63.22 C ATOM 572 O GLU A 36 -1.824 6.390 -2.149 1.00 2.53 O ATOM 573 CB GLU A 36 -0.965 9.411 -1.893 1.00 71.13 C ATOM 574 CG GLU A 36 -0.483 9.671 -3.319 1.00 30.14 C ATOM 575 CD GLU A 36 0.734 10.582 -3.380 1.00 31.53 C ATOM 576 OE1 GLU A 36 0.554 11.816 -3.334 1.00 61.54 O ATOM 577 OE2 GLU A 36 1.871 10.074 -3.489 1.00 70.45 O ATOM 0 H GLU A 36 -2.233 7.715 0.027 1.00 2.13 H new ATOM 0 HA GLU A 36 -3.092 9.373 -2.266 1.00 62.41 H new ATOM 0 HB2 GLU A 36 -1.015 10.359 -1.357 1.00 71.13 H new ATOM 0 HB3 GLU A 36 -0.230 8.792 -1.378 1.00 71.13 H new ATOM 0 HG2 GLU A 36 -0.242 8.720 -3.794 1.00 30.14 H new ATOM 0 HG3 GLU A 36 -1.294 10.118 -3.894 1.00 30.14 H new ATOM 584 N ILE A 37 -2.858 7.449 -3.838 1.00 2.42 N ATOM 585 CA ILE A 37 -2.913 6.260 -4.698 1.00 2.41 C ATOM 586 C ILE A 37 -1.549 5.980 -5.350 1.00 23.02 C ATOM 587 O ILE A 37 -1.078 6.751 -6.192 1.00 53.35 O ATOM 588 CB ILE A 37 -3.979 6.412 -5.810 1.00 3.20 C ATOM 589 CG1 ILE A 37 -5.330 6.822 -5.203 1.00 31.13 C ATOM 590 CG2 ILE A 37 -4.113 5.107 -6.600 1.00 22.20 C ATOM 591 CD1 ILE A 37 -6.430 7.023 -6.227 1.00 14.24 C ATOM 0 H ILE A 37 -3.265 8.287 -4.253 1.00 2.42 H new ATOM 0 HA ILE A 37 -3.185 5.423 -4.056 1.00 2.41 H new ATOM 0 HB ILE A 37 -3.660 7.197 -6.496 1.00 3.20 H new ATOM 0 HG12 ILE A 37 -5.644 6.058 -4.492 1.00 31.13 H new ATOM 0 HG13 ILE A 37 -5.198 7.746 -4.640 1.00 31.13 H new ATOM 0 HG21 ILE A 37 -4.866 5.229 -7.379 1.00 22.20 H new ATOM 0 HG22 ILE A 37 -3.155 4.858 -7.057 1.00 22.20 H new ATOM 0 HG23 ILE A 37 -4.413 4.304 -5.927 1.00 22.20 H new ATOM 0 HD11 ILE A 37 -7.351 7.311 -5.720 1.00 14.24 H new ATOM 0 HD12 ILE A 37 -6.139 7.809 -6.924 1.00 14.24 H new ATOM 0 HD13 ILE A 37 -6.592 6.094 -6.774 1.00 14.24 H new ATOM 603 N ALA A 38 -0.922 4.877 -4.960 1.00 1.05 N ATOM 604 CA ALA A 38 0.385 4.491 -5.500 1.00 33.54 C ATOM 605 C ALA A 38 0.284 3.221 -6.357 1.00 71.01 C ATOM 606 O ALA A 38 -0.517 2.332 -6.070 1.00 32.44 O ATOM 607 CB ALA A 38 1.370 4.279 -4.359 1.00 30.34 C ATOM 0 H ALA A 38 -1.296 4.228 -4.268 1.00 1.05 H new ATOM 0 HA ALA A 38 0.741 5.297 -6.142 1.00 33.54 H new ATOM 0 HB1 ALA A 38 2.340 3.992 -4.764 1.00 30.34 H new ATOM 0 HB2 ALA A 38 1.473 5.203 -3.791 1.00 30.34 H new ATOM 0 HB3 ALA A 38 1.003 3.489 -3.703 1.00 30.34 H new ATOM 613 N GLU A 39 1.098 3.139 -7.408 1.00 50.22 N ATOM 614 CA GLU A 39 1.109 1.958 -8.282 1.00 74.25 C ATOM 615 C GLU A 39 1.921 0.823 -7.650 1.00 52.32 C ATOM 616 O GLU A 39 3.031 1.042 -7.157 1.00 43.31 O ATOM 617 CB GLU A 39 1.703 2.286 -9.666 1.00 12.02 C ATOM 618 CG GLU A 39 1.133 3.536 -10.332 1.00 60.41 C ATOM 619 CD GLU A 39 1.746 4.821 -9.793 1.00 22.30 C ATOM 620 OE1 GLU A 39 2.889 5.144 -10.180 1.00 0.13 O ATOM 621 OE2 GLU A 39 1.097 5.501 -8.971 1.00 42.40 O ATOM 0 H GLU A 39 1.757 3.870 -7.678 1.00 50.22 H new ATOM 0 HA GLU A 39 0.073 1.643 -8.407 1.00 74.25 H new ATOM 0 HB2 GLU A 39 2.781 2.407 -9.563 1.00 12.02 H new ATOM 0 HB3 GLU A 39 1.540 1.434 -10.326 1.00 12.02 H new ATOM 0 HG2 GLU A 39 1.304 3.480 -11.407 1.00 60.41 H new ATOM 0 HG3 GLU A 39 0.054 3.562 -10.182 1.00 60.41 H new ATOM 628 N ILE A 40 1.378 -0.392 -7.666 1.00 51.11 N ATOM 629 CA ILE A 40 2.101 -1.539 -7.120 1.00 44.05 C ATOM 630 C ILE A 40 3.085 -2.092 -8.159 1.00 23.05 C ATOM 631 O ILE A 40 2.689 -2.678 -9.172 1.00 2.23 O ATOM 632 CB ILE A 40 1.126 -2.656 -6.672 1.00 73.12 C ATOM 633 CG1 ILE A 40 0.149 -2.118 -5.610 1.00 23.11 C ATOM 634 CG2 ILE A 40 1.896 -3.869 -6.147 1.00 52.24 C ATOM 635 CD1 ILE A 40 -0.883 -3.126 -5.151 1.00 51.42 C ATOM 0 H ILE A 40 0.455 -0.607 -8.044 1.00 51.11 H new ATOM 0 HA ILE A 40 2.655 -1.198 -6.246 1.00 44.05 H new ATOM 0 HB ILE A 40 0.546 -2.979 -7.537 1.00 73.12 H new ATOM 0 HG12 ILE A 40 0.720 -1.779 -4.745 1.00 23.11 H new ATOM 0 HG13 ILE A 40 -0.365 -1.246 -6.014 1.00 23.11 H new ATOM 0 HG21 ILE A 40 1.192 -4.641 -5.838 1.00 52.24 H new ATOM 0 HG22 ILE A 40 2.540 -4.260 -6.935 1.00 52.24 H new ATOM 0 HG23 ILE A 40 2.506 -3.572 -5.294 1.00 52.24 H new ATOM 0 HD11 ILE A 40 -1.531 -2.668 -4.404 1.00 51.42 H new ATOM 0 HD12 ILE A 40 -1.482 -3.447 -6.003 1.00 51.42 H new ATOM 0 HD13 ILE A 40 -0.380 -3.989 -4.715 1.00 51.42 H new ATOM 647 N ARG A 41 4.370 -1.898 -7.895 1.00 41.34 N ATOM 648 CA ARG A 41 5.428 -2.319 -8.815 1.00 31.32 C ATOM 649 C ARG A 41 5.819 -3.788 -8.588 1.00 1.22 C ATOM 650 O ARG A 41 6.082 -4.535 -9.533 1.00 62.24 O ATOM 651 CB ARG A 41 6.641 -1.388 -8.664 1.00 14.31 C ATOM 652 CG ARG A 41 6.236 0.076 -8.476 1.00 35.22 C ATOM 653 CD ARG A 41 7.367 1.052 -8.786 1.00 71.31 C ATOM 654 NE ARG A 41 7.685 1.076 -10.213 1.00 44.43 N ATOM 655 CZ ARG A 41 6.983 1.712 -11.115 1.00 41.13 C ATOM 656 NH1 ARG A 41 5.923 2.388 -10.785 1.00 62.32 N ATOM 657 NH2 ARG A 41 7.343 1.662 -12.354 1.00 50.44 N ATOM 0 H ARG A 41 4.711 -1.448 -7.045 1.00 41.34 H new ATOM 0 HA ARG A 41 5.053 -2.246 -9.836 1.00 31.32 H new ATOM 0 HB2 ARG A 41 7.237 -1.709 -7.810 1.00 14.31 H new ATOM 0 HB3 ARG A 41 7.275 -1.476 -9.547 1.00 14.31 H new ATOM 0 HG2 ARG A 41 5.385 0.298 -9.121 1.00 35.22 H new ATOM 0 HG3 ARG A 41 5.905 0.227 -7.448 1.00 35.22 H new ATOM 0 HD2 ARG A 41 7.084 2.053 -8.459 1.00 71.31 H new ATOM 0 HD3 ARG A 41 8.255 0.771 -8.220 1.00 71.31 H new ATOM 0 HE ARG A 41 8.509 0.563 -10.526 1.00 44.43 H new ATOM 0 HH11 ARG A 41 5.627 2.428 -9.810 1.00 62.32 H new ATOM 0 HH12 ARG A 41 5.387 2.878 -11.501 1.00 62.32 H new ATOM 0 HH21 ARG A 41 8.170 1.129 -12.624 1.00 50.44 H new ATOM 0 HH22 ARG A 41 6.801 2.155 -13.063 1.00 50.44 H new ATOM 671 N ASN A 42 5.869 -4.188 -7.318 1.00 23.05 N ATOM 672 CA ASN A 42 6.141 -5.581 -6.941 1.00 21.45 C ATOM 673 C ASN A 42 4.915 -6.200 -6.252 1.00 41.44 C ATOM 674 O ASN A 42 4.468 -5.716 -5.211 1.00 31.03 O ATOM 675 CB ASN A 42 7.362 -5.659 -6.017 1.00 35.11 C ATOM 676 CG ASN A 42 7.677 -7.078 -5.585 1.00 61.11 C ATOM 677 OD1 ASN A 42 7.411 -8.033 -6.304 1.00 42.41 O ATOM 678 ND2 ASN A 42 8.248 -7.227 -4.410 1.00 21.15 N ATOM 0 H ASN A 42 5.724 -3.564 -6.524 1.00 23.05 H new ATOM 0 HA ASN A 42 6.354 -6.146 -7.848 1.00 21.45 H new ATOM 0 HB2 ASN A 42 8.228 -5.238 -6.529 1.00 35.11 H new ATOM 0 HB3 ASN A 42 7.184 -5.045 -5.134 1.00 35.11 H new ATOM 0 HD21 ASN A 42 8.483 -8.160 -4.072 1.00 21.15 H new ATOM 0 HD22 ASN A 42 8.456 -6.409 -3.837 1.00 21.15 H new ATOM 685 N VAL A 43 4.396 -7.278 -6.832 1.00 10.02 N ATOM 686 CA VAL A 43 3.145 -7.893 -6.367 1.00 52.54 C ATOM 687 C VAL A 43 3.389 -9.042 -5.360 1.00 61.54 C ATOM 688 O VAL A 43 2.473 -9.797 -5.022 1.00 33.12 O ATOM 689 CB VAL A 43 2.324 -8.416 -7.580 1.00 3.25 C ATOM 690 CG1 VAL A 43 3.011 -9.615 -8.236 1.00 42.14 C ATOM 691 CG2 VAL A 43 0.885 -8.750 -7.180 1.00 1.22 C ATOM 0 H VAL A 43 4.821 -7.750 -7.630 1.00 10.02 H new ATOM 0 HA VAL A 43 2.581 -7.120 -5.845 1.00 52.54 H new ATOM 0 HB VAL A 43 2.280 -7.614 -8.317 1.00 3.25 H new ATOM 0 HG11 VAL A 43 2.414 -9.959 -9.081 1.00 42.14 H new ATOM 0 HG12 VAL A 43 4.000 -9.321 -8.587 1.00 42.14 H new ATOM 0 HG13 VAL A 43 3.109 -10.421 -7.509 1.00 42.14 H new ATOM 0 HG21 VAL A 43 0.340 -9.112 -8.052 1.00 1.22 H new ATOM 0 HG22 VAL A 43 0.891 -9.521 -6.409 1.00 1.22 H new ATOM 0 HG23 VAL A 43 0.398 -7.855 -6.794 1.00 1.22 H new ATOM 701 N VAL A 44 4.619 -9.164 -4.865 1.00 50.40 N ATOM 702 CA VAL A 44 4.961 -10.232 -3.916 1.00 62.34 C ATOM 703 C VAL A 44 5.847 -9.716 -2.767 1.00 22.13 C ATOM 704 O VAL A 44 6.664 -8.811 -2.953 1.00 12.31 O ATOM 705 CB VAL A 44 5.676 -11.411 -4.636 1.00 1.21 C ATOM 706 CG1 VAL A 44 7.010 -10.962 -5.235 1.00 63.01 C ATOM 707 CG2 VAL A 44 5.869 -12.598 -3.691 1.00 23.44 C ATOM 0 H VAL A 44 5.393 -8.543 -5.101 1.00 50.40 H new ATOM 0 HA VAL A 44 4.022 -10.588 -3.492 1.00 62.34 H new ATOM 0 HB VAL A 44 5.036 -11.738 -5.455 1.00 1.21 H new ATOM 0 HG11 VAL A 44 7.488 -11.806 -5.732 1.00 63.01 H new ATOM 0 HG12 VAL A 44 6.834 -10.166 -5.959 1.00 63.01 H new ATOM 0 HG13 VAL A 44 7.659 -10.593 -4.441 1.00 63.01 H new ATOM 0 HG21 VAL A 44 6.371 -13.407 -4.221 1.00 23.44 H new ATOM 0 HG22 VAL A 44 6.476 -12.290 -2.840 1.00 23.44 H new ATOM 0 HG23 VAL A 44 4.897 -12.944 -3.338 1.00 23.44 H new ATOM 717 N GLU A 45 5.663 -10.291 -1.578 1.00 4.12 N ATOM 718 CA GLU A 45 6.487 -9.959 -0.407 1.00 33.10 C ATOM 719 C GLU A 45 7.884 -10.605 -0.514 1.00 22.41 C ATOM 720 O GLU A 45 8.270 -11.092 -1.578 1.00 34.52 O ATOM 721 CB GLU A 45 5.776 -10.422 0.877 1.00 74.35 C ATOM 722 CG GLU A 45 5.472 -11.916 0.922 1.00 51.11 C ATOM 723 CD GLU A 45 4.760 -12.328 2.202 1.00 75.10 C ATOM 724 OE1 GLU A 45 5.425 -12.418 3.254 1.00 73.34 O ATOM 725 OE2 GLU A 45 3.533 -12.560 2.167 1.00 64.41 O ATOM 0 H GLU A 45 4.947 -10.994 -1.396 1.00 4.12 H new ATOM 0 HA GLU A 45 6.621 -8.878 -0.371 1.00 33.10 H new ATOM 0 HB2 GLU A 45 6.396 -10.163 1.735 1.00 74.35 H new ATOM 0 HB3 GLU A 45 4.842 -9.870 0.981 1.00 74.35 H new ATOM 0 HG2 GLU A 45 4.855 -12.184 0.064 1.00 51.11 H new ATOM 0 HG3 GLU A 45 6.403 -12.476 0.832 1.00 51.11 H new ATOM 732 N ASN A 46 8.641 -10.611 0.585 1.00 4.40 N ATOM 733 CA ASN A 46 9.997 -11.182 0.583 1.00 33.42 C ATOM 734 C ASN A 46 9.968 -12.723 0.475 1.00 64.20 C ATOM 735 O ASN A 46 10.191 -13.439 1.457 1.00 12.24 O ATOM 736 CB ASN A 46 10.762 -10.742 1.841 1.00 5.31 C ATOM 737 CG ASN A 46 12.204 -11.228 1.868 1.00 63.53 C ATOM 738 OD1 ASN A 46 12.760 -11.488 2.929 1.00 12.40 O ATOM 739 ND2 ASN A 46 12.828 -11.349 0.709 1.00 45.34 N ATOM 0 H ASN A 46 8.344 -10.231 1.484 1.00 4.40 H new ATOM 0 HA ASN A 46 10.516 -10.803 -0.297 1.00 33.42 H new ATOM 0 HB2 ASN A 46 10.751 -9.654 1.903 1.00 5.31 H new ATOM 0 HB3 ASN A 46 10.243 -11.116 2.723 1.00 5.31 H new ATOM 0 HD21 ASN A 46 13.797 -11.666 0.682 1.00 45.34 H new ATOM 0 HD22 ASN A 46 12.340 -11.126 -0.159 1.00 45.34 H new ATOM 746 N THR A 47 9.668 -13.218 -0.725 1.00 62.12 N ATOM 747 CA THR A 47 9.611 -14.662 -1.006 1.00 71.54 C ATOM 748 C THR A 47 9.314 -14.917 -2.490 1.00 11.43 C ATOM 749 O THR A 47 9.187 -13.978 -3.280 1.00 71.51 O ATOM 750 CB THR A 47 8.531 -15.378 -0.149 1.00 61.25 C ATOM 751 OG1 THR A 47 8.555 -16.794 -0.394 1.00 14.14 O ATOM 752 CG2 THR A 47 7.135 -14.839 -0.448 1.00 62.24 C ATOM 0 H THR A 47 9.457 -12.634 -1.534 1.00 62.12 H new ATOM 0 HA THR A 47 10.589 -15.069 -0.748 1.00 71.54 H new ATOM 0 HB THR A 47 8.762 -15.183 0.898 1.00 61.25 H new ATOM 0 HG1 THR A 47 8.427 -17.274 0.451 1.00 14.14 H new ATOM 0 HG21 THR A 47 6.404 -15.361 0.168 1.00 62.24 H new ATOM 0 HG22 THR A 47 7.101 -13.772 -0.226 1.00 62.24 H new ATOM 0 HG23 THR A 47 6.902 -14.998 -1.501 1.00 62.24 H new ATOM 760 N ALA A 48 9.210 -16.189 -2.865 1.00 61.34 N ATOM 761 CA ALA A 48 8.854 -16.571 -4.234 1.00 71.53 C ATOM 762 C ALA A 48 7.588 -17.438 -4.248 1.00 71.23 C ATOM 763 O ALA A 48 6.587 -17.088 -4.880 1.00 23.42 O ATOM 764 CB ALA A 48 10.010 -17.303 -4.903 1.00 2.13 C ATOM 0 H ALA A 48 9.368 -16.978 -2.239 1.00 61.34 H new ATOM 0 HA ALA A 48 8.649 -15.661 -4.798 1.00 71.53 H new ATOM 0 HB1 ALA A 48 9.727 -17.579 -5.919 1.00 2.13 H new ATOM 0 HB2 ALA A 48 10.884 -16.652 -4.934 1.00 2.13 H new ATOM 0 HB3 ALA A 48 10.248 -18.203 -4.336 1.00 2.13 H new ATOM 770 N ASN A 49 7.631 -18.568 -3.538 1.00 23.30 N ATOM 771 CA ASN A 49 6.485 -19.487 -3.485 1.00 72.40 C ATOM 772 C ASN A 49 6.559 -20.460 -2.290 1.00 31.02 C ATOM 773 O ASN A 49 7.111 -21.556 -2.399 1.00 24.11 O ATOM 774 CB ASN A 49 6.360 -20.262 -4.810 1.00 12.12 C ATOM 775 CG ASN A 49 7.643 -20.981 -5.207 1.00 22.13 C ATOM 776 OD1 ASN A 49 8.521 -20.410 -5.847 1.00 44.12 O ATOM 777 ND2 ASN A 49 7.764 -22.239 -4.837 1.00 72.24 N ATOM 0 H ASN A 49 8.440 -18.870 -2.994 1.00 23.30 H new ATOM 0 HA ASN A 49 5.592 -18.879 -3.339 1.00 72.40 H new ATOM 0 HB2 ASN A 49 5.555 -20.991 -4.723 1.00 12.12 H new ATOM 0 HB3 ASN A 49 6.079 -19.570 -5.603 1.00 12.12 H new ATOM 0 HD21 ASN A 49 8.604 -22.764 -5.082 1.00 72.24 H new ATOM 0 HD22 ASN A 49 7.018 -22.688 -4.306 1.00 72.24 H new ATOM 784 N PRO A 50 6.027 -20.063 -1.118 1.00 53.24 N ATOM 785 CA PRO A 50 5.867 -20.981 0.023 1.00 42.23 C ATOM 786 C PRO A 50 4.864 -22.103 -0.297 1.00 3.23 C ATOM 787 O PRO A 50 5.039 -23.256 0.105 1.00 24.51 O ATOM 788 CB PRO A 50 5.343 -20.074 1.154 1.00 2.53 C ATOM 789 CG PRO A 50 5.650 -18.679 0.710 1.00 70.00 C ATOM 790 CD PRO A 50 5.576 -18.700 -0.794 1.00 33.21 C ATOM 0 HA PRO A 50 6.796 -21.488 0.285 1.00 42.23 H new ATOM 0 HB2 PRO A 50 4.273 -20.212 1.306 1.00 2.53 H new ATOM 0 HB3 PRO A 50 5.832 -20.303 2.101 1.00 2.53 H new ATOM 0 HG2 PRO A 50 4.935 -17.970 1.127 1.00 70.00 H new ATOM 0 HG3 PRO A 50 6.639 -18.370 1.048 1.00 70.00 H new ATOM 0 HD2 PRO A 50 4.564 -18.512 -1.153 1.00 33.21 H new ATOM 0 HD3 PRO A 50 6.219 -17.943 -1.242 1.00 33.21 H new ATOM 798 N HIS A 51 3.807 -21.740 -1.022 1.00 71.33 N ATOM 799 CA HIS A 51 2.826 -22.700 -1.543 1.00 3.22 C ATOM 800 C HIS A 51 2.447 -22.345 -2.990 1.00 65.55 C ATOM 801 O HIS A 51 2.836 -21.294 -3.507 1.00 63.50 O ATOM 802 CB HIS A 51 1.567 -22.717 -0.662 1.00 33.11 C ATOM 803 CG HIS A 51 1.815 -23.195 0.734 1.00 62.14 C ATOM 804 ND1 HIS A 51 1.822 -22.356 1.825 1.00 31.05 N ATOM 805 CD2 HIS A 51 2.064 -24.434 1.217 1.00 34.12 C ATOM 806 CE1 HIS A 51 2.063 -23.053 2.914 1.00 2.23 C ATOM 807 NE2 HIS A 51 2.214 -24.317 2.577 1.00 12.35 N ATOM 0 H HIS A 51 3.603 -20.771 -1.267 1.00 71.33 H new ATOM 0 HA HIS A 51 3.277 -23.692 -1.528 1.00 3.22 H new ATOM 0 HB2 HIS A 51 1.148 -21.711 -0.623 1.00 33.11 H new ATOM 0 HB3 HIS A 51 0.817 -23.357 -1.128 1.00 33.11 H new ATOM 0 HD2 HIS A 51 2.132 -25.345 0.641 1.00 34.12 H new ATOM 0 HE1 HIS A 51 2.126 -22.655 3.916 1.00 2.23 H new ATOM 0 HE2 HIS A 51 2.410 -25.084 3.221 1.00 12.35 H new ATOM 816 N PHE A 52 1.689 -23.219 -3.645 1.00 50.12 N ATOM 817 CA PHE A 52 1.249 -22.968 -5.022 1.00 62.30 C ATOM 818 C PHE A 52 0.152 -21.889 -5.071 1.00 72.53 C ATOM 819 O PHE A 52 -1.043 -22.186 -4.994 1.00 31.44 O ATOM 820 CB PHE A 52 0.757 -24.264 -5.681 1.00 12.42 C ATOM 821 CG PHE A 52 1.834 -25.312 -5.828 1.00 44.11 C ATOM 822 CD1 PHE A 52 2.877 -25.128 -6.725 1.00 0.33 C ATOM 823 CD2 PHE A 52 1.811 -26.471 -5.065 1.00 74.02 C ATOM 824 CE1 PHE A 52 3.869 -26.080 -6.863 1.00 40.31 C ATOM 825 CE2 PHE A 52 2.801 -27.426 -5.200 1.00 11.32 C ATOM 826 CZ PHE A 52 3.832 -27.229 -6.098 1.00 72.02 C ATOM 0 H PHE A 52 1.366 -24.103 -3.252 1.00 50.12 H new ATOM 0 HA PHE A 52 2.109 -22.599 -5.582 1.00 62.30 H new ATOM 0 HB2 PHE A 52 -0.061 -24.675 -5.089 1.00 12.42 H new ATOM 0 HB3 PHE A 52 0.352 -24.030 -6.666 1.00 12.42 H new ATOM 0 HD1 PHE A 52 2.914 -24.229 -7.323 1.00 0.33 H new ATOM 0 HD2 PHE A 52 1.010 -26.629 -4.358 1.00 74.02 H new ATOM 0 HE1 PHE A 52 4.672 -25.926 -7.568 1.00 40.31 H new ATOM 0 HE2 PHE A 52 2.769 -28.326 -4.604 1.00 11.32 H new ATOM 0 HZ PHE A 52 4.608 -27.973 -6.202 1.00 72.02 H new ATOM 836 N VAL A 53 0.578 -20.631 -5.161 1.00 20.34 N ATOM 837 CA VAL A 53 -0.344 -19.491 -5.234 1.00 5.12 C ATOM 838 C VAL A 53 -0.235 -18.775 -6.591 1.00 63.53 C ATOM 839 O VAL A 53 0.867 -18.491 -7.067 1.00 63.03 O ATOM 840 CB VAL A 53 -0.066 -18.473 -4.093 1.00 21.05 C ATOM 841 CG1 VAL A 53 -1.054 -17.307 -4.137 1.00 3.54 C ATOM 842 CG2 VAL A 53 -0.098 -19.159 -2.725 1.00 74.21 C ATOM 0 H VAL A 53 1.564 -20.370 -5.186 1.00 20.34 H new ATOM 0 HA VAL A 53 -1.353 -19.886 -5.121 1.00 5.12 H new ATOM 0 HB VAL A 53 0.935 -18.070 -4.248 1.00 21.05 H new ATOM 0 HG11 VAL A 53 -0.833 -16.612 -3.326 1.00 3.54 H new ATOM 0 HG12 VAL A 53 -0.964 -16.790 -5.092 1.00 3.54 H new ATOM 0 HG13 VAL A 53 -2.070 -17.686 -4.024 1.00 3.54 H new ATOM 0 HG21 VAL A 53 0.100 -18.424 -1.945 1.00 74.21 H new ATOM 0 HG22 VAL A 53 -1.080 -19.604 -2.564 1.00 74.21 H new ATOM 0 HG23 VAL A 53 0.664 -19.938 -2.691 1.00 74.21 H new ATOM 852 N ARG A 54 -1.381 -18.480 -7.203 1.00 0.12 N ATOM 853 CA ARG A 54 -1.417 -17.797 -8.501 1.00 64.21 C ATOM 854 C ARG A 54 -0.917 -16.345 -8.401 1.00 61.34 C ATOM 855 O ARG A 54 -0.758 -15.801 -7.308 1.00 42.23 O ATOM 856 CB ARG A 54 -2.841 -17.816 -9.068 1.00 14.41 C ATOM 857 CG ARG A 54 -3.334 -19.210 -9.445 1.00 44.53 C ATOM 858 CD ARG A 54 -4.760 -19.187 -9.985 1.00 52.43 C ATOM 859 NE ARG A 54 -4.905 -18.284 -11.127 1.00 1.02 N ATOM 860 CZ ARG A 54 -5.803 -18.421 -12.067 1.00 12.31 C ATOM 861 NH1 ARG A 54 -6.643 -19.405 -12.040 1.00 62.01 N ATOM 862 NH2 ARG A 54 -5.863 -17.561 -13.033 1.00 35.41 N ATOM 0 H ARG A 54 -2.300 -18.703 -6.822 1.00 0.12 H new ATOM 0 HA ARG A 54 -0.747 -18.335 -9.171 1.00 64.21 H new ATOM 0 HB2 ARG A 54 -3.521 -17.387 -8.332 1.00 14.41 H new ATOM 0 HB3 ARG A 54 -2.880 -17.176 -9.950 1.00 14.41 H new ATOM 0 HG2 ARG A 54 -2.669 -19.639 -10.195 1.00 44.53 H new ATOM 0 HG3 ARG A 54 -3.288 -19.859 -8.571 1.00 44.53 H new ATOM 0 HD2 ARG A 54 -5.050 -20.195 -10.282 1.00 52.43 H new ATOM 0 HD3 ARG A 54 -5.442 -18.879 -9.192 1.00 52.43 H new ATOM 0 HE ARG A 54 -4.262 -17.495 -11.194 1.00 1.02 H new ATOM 0 HH11 ARG A 54 -6.609 -20.084 -11.280 1.00 62.01 H new ATOM 0 HH12 ARG A 54 -7.339 -19.502 -12.779 1.00 62.01 H new ATOM 0 HH21 ARG A 54 -5.210 -16.778 -13.060 1.00 35.41 H new ATOM 0 HH22 ARG A 54 -6.563 -17.667 -13.767 1.00 35.41 H new ATOM 876 N ARG A 55 -0.685 -15.723 -9.557 1.00 35.01 N ATOM 877 CA ARG A 55 -0.202 -14.338 -9.611 1.00 22.05 C ATOM 878 C ARG A 55 -1.258 -13.353 -9.080 1.00 14.54 C ATOM 879 O ARG A 55 -2.422 -13.713 -8.897 1.00 71.54 O ATOM 880 CB ARG A 55 0.215 -13.986 -11.046 1.00 0.25 C ATOM 881 CG ARG A 55 1.373 -14.847 -11.556 1.00 35.33 C ATOM 882 CD ARG A 55 1.717 -14.563 -13.016 1.00 53.41 C ATOM 883 NE ARG A 55 2.190 -13.195 -13.235 1.00 35.34 N ATOM 884 CZ ARG A 55 3.446 -12.868 -13.407 1.00 14.24 C ATOM 885 NH1 ARG A 55 4.381 -13.759 -13.311 1.00 21.13 N ATOM 886 NH2 ARG A 55 3.766 -11.644 -13.681 1.00 62.10 N ATOM 0 H ARG A 55 -0.823 -16.155 -10.471 1.00 35.01 H new ATOM 0 HA ARG A 55 0.670 -14.251 -8.963 1.00 22.05 H new ATOM 0 HB2 ARG A 55 -0.642 -14.108 -11.709 1.00 0.25 H new ATOM 0 HB3 ARG A 55 0.503 -12.936 -11.088 1.00 0.25 H new ATOM 0 HG2 ARG A 55 2.253 -14.669 -10.938 1.00 35.33 H new ATOM 0 HG3 ARG A 55 1.114 -15.900 -11.446 1.00 35.33 H new ATOM 0 HD2 ARG A 55 2.483 -15.264 -13.346 1.00 53.41 H new ATOM 0 HD3 ARG A 55 0.836 -14.740 -13.633 1.00 53.41 H new ATOM 0 HE ARG A 55 1.496 -12.448 -13.255 1.00 35.34 H new ATOM 0 HH11 ARG A 55 4.142 -14.728 -13.099 1.00 21.13 H new ATOM 0 HH12 ARG A 55 5.356 -13.492 -13.447 1.00 21.13 H new ATOM 0 HH21 ARG A 55 3.039 -10.933 -13.763 1.00 62.10 H new ATOM 0 HH22 ARG A 55 4.745 -11.391 -13.815 1.00 62.10 H new ATOM 900 N ASN A 56 -0.843 -12.106 -8.845 1.00 21.54 N ATOM 901 CA ASN A 56 -1.679 -11.118 -8.142 1.00 33.13 C ATOM 902 C ASN A 56 -1.969 -11.583 -6.700 1.00 63.01 C ATOM 903 O ASN A 56 -3.119 -11.791 -6.311 1.00 12.11 O ATOM 904 CB ASN A 56 -2.990 -10.849 -8.904 1.00 3.15 C ATOM 905 CG ASN A 56 -2.750 -10.252 -10.280 1.00 33.40 C ATOM 906 OD1 ASN A 56 -1.785 -9.525 -10.493 1.00 54.22 O ATOM 907 ND2 ASN A 56 -3.623 -10.551 -11.223 1.00 23.55 N ATOM 0 H ASN A 56 0.070 -11.751 -9.131 1.00 21.54 H new ATOM 0 HA ASN A 56 -1.125 -10.181 -8.098 1.00 33.13 H new ATOM 0 HB2 ASN A 56 -3.544 -11.782 -9.008 1.00 3.15 H new ATOM 0 HB3 ASN A 56 -3.613 -10.171 -8.321 1.00 3.15 H new ATOM 0 HD21 ASN A 56 -3.507 -10.174 -12.164 1.00 23.55 H new ATOM 0 HD22 ASN A 56 -4.414 -11.159 -11.011 1.00 23.55 H new ATOM 914 N ILE A 57 -0.904 -11.721 -5.908 1.00 54.21 N ATOM 915 CA ILE A 57 -0.995 -12.258 -4.538 1.00 3.11 C ATOM 916 C ILE A 57 -1.406 -11.164 -3.525 1.00 72.14 C ATOM 917 O ILE A 57 -1.222 -11.301 -2.314 1.00 43.42 O ATOM 918 CB ILE A 57 0.369 -12.881 -4.122 1.00 25.34 C ATOM 919 CG1 ILE A 57 0.925 -13.752 -5.266 1.00 20.10 C ATOM 920 CG2 ILE A 57 0.232 -13.714 -2.846 1.00 4.11 C ATOM 921 CD1 ILE A 57 2.291 -14.345 -4.981 1.00 41.43 C ATOM 0 H ILE A 57 0.043 -11.467 -6.191 1.00 54.21 H new ATOM 0 HA ILE A 57 -1.766 -13.028 -4.530 1.00 3.11 H new ATOM 0 HB ILE A 57 1.065 -12.066 -3.920 1.00 25.34 H new ATOM 0 HG12 ILE A 57 0.223 -14.562 -5.467 1.00 20.10 H new ATOM 0 HG13 ILE A 57 0.984 -13.149 -6.172 1.00 20.10 H new ATOM 0 HG21 ILE A 57 1.201 -14.136 -2.581 1.00 4.11 H new ATOM 0 HG22 ILE A 57 -0.122 -13.079 -2.033 1.00 4.11 H new ATOM 0 HG23 ILE A 57 -0.481 -14.521 -3.013 1.00 4.11 H new ATOM 0 HD11 ILE A 57 2.613 -14.944 -5.833 1.00 41.43 H new ATOM 0 HD12 ILE A 57 3.008 -13.542 -4.811 1.00 41.43 H new ATOM 0 HD13 ILE A 57 2.236 -14.976 -4.094 1.00 41.43 H new ATOM 933 N ILE A 58 -1.994 -10.087 -4.035 1.00 24.15 N ATOM 934 CA ILE A 58 -2.400 -8.953 -3.204 1.00 64.33 C ATOM 935 C ILE A 58 -3.569 -9.327 -2.274 1.00 64.13 C ATOM 936 O ILE A 58 -4.713 -9.440 -2.715 1.00 21.31 O ATOM 937 CB ILE A 58 -2.811 -7.744 -4.086 1.00 51.11 C ATOM 938 CG1 ILE A 58 -1.707 -7.429 -5.113 1.00 34.33 C ATOM 939 CG2 ILE A 58 -3.105 -6.521 -3.219 1.00 1.30 C ATOM 940 CD1 ILE A 58 -2.095 -6.366 -6.121 1.00 15.24 C ATOM 0 H ILE A 58 -2.202 -9.973 -5.027 1.00 24.15 H new ATOM 0 HA ILE A 58 -1.541 -8.678 -2.592 1.00 64.33 H new ATOM 0 HB ILE A 58 -3.721 -8.005 -4.627 1.00 51.11 H new ATOM 0 HG12 ILE A 58 -0.812 -7.104 -4.582 1.00 34.33 H new ATOM 0 HG13 ILE A 58 -1.447 -8.344 -5.645 1.00 34.33 H new ATOM 0 HG21 ILE A 58 -3.391 -5.684 -3.856 1.00 1.30 H new ATOM 0 HG22 ILE A 58 -3.920 -6.749 -2.532 1.00 1.30 H new ATOM 0 HG23 ILE A 58 -2.214 -6.256 -2.650 1.00 1.30 H new ATOM 0 HD11 ILE A 58 -1.267 -6.199 -6.810 1.00 15.24 H new ATOM 0 HD12 ILE A 58 -2.971 -6.696 -6.679 1.00 15.24 H new ATOM 0 HD13 ILE A 58 -2.326 -5.437 -5.600 1.00 15.24 H new ATOM 952 N THR A 59 -3.270 -9.545 -0.996 1.00 41.54 N ATOM 953 CA THR A 59 -4.302 -9.849 0.010 1.00 2.54 C ATOM 954 C THR A 59 -3.911 -9.279 1.379 1.00 71.12 C ATOM 955 O THR A 59 -2.763 -8.875 1.578 1.00 43.23 O ATOM 956 CB THR A 59 -4.550 -11.377 0.140 1.00 12.15 C ATOM 957 OG1 THR A 59 -5.670 -11.624 1.011 1.00 45.15 O ATOM 958 CG2 THR A 59 -3.313 -12.101 0.672 1.00 72.40 C ATOM 0 H THR A 59 -2.320 -9.518 -0.625 1.00 41.54 H new ATOM 0 HA THR A 59 -5.225 -9.379 -0.330 1.00 2.54 H new ATOM 0 HB THR A 59 -4.769 -11.765 -0.855 1.00 12.15 H new ATOM 0 HG1 THR A 59 -5.820 -12.590 1.085 1.00 45.15 H new ATOM 0 HG21 THR A 59 -3.522 -13.168 0.751 1.00 72.40 H new ATOM 0 HG22 THR A 59 -2.478 -11.944 -0.010 1.00 72.40 H new ATOM 0 HG23 THR A 59 -3.056 -11.708 1.656 1.00 72.40 H new ATOM 966 N ARG A 60 -4.852 -9.258 2.328 1.00 64.44 N ATOM 967 CA ARG A 60 -4.594 -8.653 3.643 1.00 40.40 C ATOM 968 C ARG A 60 -3.420 -9.339 4.359 1.00 64.33 C ATOM 969 O ARG A 60 -3.405 -10.558 4.533 1.00 34.35 O ATOM 970 CB ARG A 60 -5.840 -8.696 4.543 1.00 12.41 C ATOM 971 CG ARG A 60 -5.610 -8.039 5.906 1.00 21.13 C ATOM 972 CD ARG A 60 -6.814 -8.175 6.832 1.00 12.24 C ATOM 973 NE ARG A 60 -7.996 -7.500 6.309 1.00 61.12 N ATOM 974 CZ ARG A 60 -9.206 -7.688 6.759 1.00 5.02 C ATOM 975 NH1 ARG A 60 -9.426 -8.525 7.724 1.00 72.53 N ATOM 976 NH2 ARG A 60 -10.195 -7.027 6.250 1.00 54.04 N ATOM 0 H ARG A 60 -5.788 -9.647 2.215 1.00 64.44 H new ATOM 0 HA ARG A 60 -4.333 -7.611 3.458 1.00 40.40 H new ATOM 0 HB2 ARG A 60 -6.665 -8.194 4.038 1.00 12.41 H new ATOM 0 HB3 ARG A 60 -6.140 -9.733 4.691 1.00 12.41 H new ATOM 0 HG2 ARG A 60 -4.738 -8.490 6.380 1.00 21.13 H new ATOM 0 HG3 ARG A 60 -5.384 -6.982 5.763 1.00 21.13 H new ATOM 0 HD2 ARG A 60 -7.038 -9.231 6.980 1.00 12.24 H new ATOM 0 HD3 ARG A 60 -6.566 -7.762 7.810 1.00 12.24 H new ATOM 0 HE ARG A 60 -7.869 -6.839 5.543 1.00 61.12 H new ATOM 0 HH11 ARG A 60 -8.650 -9.042 8.137 1.00 72.53 H new ATOM 0 HH12 ARG A 60 -10.375 -8.666 8.070 1.00 72.53 H new ATOM 0 HH21 ARG A 60 -10.028 -6.359 5.497 1.00 54.04 H new ATOM 0 HH22 ARG A 60 -11.141 -7.174 6.602 1.00 54.04 H new ATOM 990 N GLY A 61 -2.443 -8.542 4.778 1.00 55.14 N ATOM 991 CA GLY A 61 -1.261 -9.082 5.442 1.00 12.42 C ATOM 992 C GLY A 61 -0.042 -9.127 4.529 1.00 31.41 C ATOM 993 O GLY A 61 1.097 -9.125 4.998 1.00 60.11 O ATOM 0 H GLY A 61 -2.445 -7.528 4.671 1.00 55.14 H new ATOM 0 HA2 GLY A 61 -1.032 -8.474 6.317 1.00 12.42 H new ATOM 0 HA3 GLY A 61 -1.479 -10.088 5.800 1.00 12.42 H new ATOM 997 N ALA A 62 -0.276 -9.169 3.219 1.00 55.34 N ATOM 998 CA ALA A 62 0.813 -9.163 2.240 1.00 23.34 C ATOM 999 C ALA A 62 1.370 -7.746 2.038 1.00 31.50 C ATOM 1000 O ALA A 62 0.615 -6.768 2.000 1.00 25.12 O ATOM 1001 CB ALA A 62 0.335 -9.742 0.913 1.00 52.15 C ATOM 0 H ALA A 62 -1.209 -9.208 2.809 1.00 55.34 H new ATOM 0 HA ALA A 62 1.618 -9.788 2.626 1.00 23.34 H new ATOM 0 HB1 ALA A 62 1.155 -9.731 0.195 1.00 52.15 H new ATOM 0 HB2 ALA A 62 -0.002 -10.768 1.064 1.00 52.15 H new ATOM 0 HB3 ALA A 62 -0.490 -9.142 0.530 1.00 52.15 H new ATOM 1007 N VAL A 63 2.692 -7.636 1.918 1.00 2.12 N ATOM 1008 CA VAL A 63 3.344 -6.340 1.703 1.00 61.11 C ATOM 1009 C VAL A 63 3.844 -6.195 0.254 1.00 31.32 C ATOM 1010 O VAL A 63 4.671 -6.974 -0.221 1.00 44.41 O ATOM 1011 CB VAL A 63 4.522 -6.116 2.695 1.00 42.41 C ATOM 1012 CG1 VAL A 63 4.014 -6.110 4.138 1.00 31.22 C ATOM 1013 CG2 VAL A 63 5.609 -7.174 2.517 1.00 11.31 C ATOM 0 H VAL A 63 3.335 -8.427 1.966 1.00 2.12 H new ATOM 0 HA VAL A 63 2.590 -5.576 1.889 1.00 61.11 H new ATOM 0 HB VAL A 63 4.962 -5.144 2.474 1.00 42.41 H new ATOM 0 HG11 VAL A 63 4.851 -5.952 4.818 1.00 31.22 H new ATOM 0 HG12 VAL A 63 3.287 -5.307 4.265 1.00 31.22 H new ATOM 0 HG13 VAL A 63 3.541 -7.066 4.361 1.00 31.22 H new ATOM 0 HG21 VAL A 63 6.417 -6.988 3.225 1.00 11.31 H new ATOM 0 HG22 VAL A 63 5.188 -8.163 2.698 1.00 11.31 H new ATOM 0 HG23 VAL A 63 5.999 -7.127 1.500 1.00 11.31 H new ATOM 1023 N VAL A 64 3.323 -5.196 -0.450 1.00 14.51 N ATOM 1024 CA VAL A 64 3.705 -4.945 -1.844 1.00 73.40 C ATOM 1025 C VAL A 64 4.610 -3.708 -1.963 1.00 52.12 C ATOM 1026 O VAL A 64 4.550 -2.802 -1.132 1.00 13.20 O ATOM 1027 CB VAL A 64 2.452 -4.755 -2.736 1.00 4.32 C ATOM 1028 CG1 VAL A 64 1.598 -6.024 -2.747 1.00 53.45 C ATOM 1029 CG2 VAL A 64 1.630 -3.554 -2.271 1.00 74.33 C ATOM 0 H VAL A 64 2.632 -4.542 -0.081 1.00 14.51 H new ATOM 0 HA VAL A 64 4.260 -5.818 -2.187 1.00 73.40 H new ATOM 0 HB VAL A 64 2.788 -4.561 -3.755 1.00 4.32 H new ATOM 0 HG11 VAL A 64 0.724 -5.869 -3.379 1.00 53.45 H new ATOM 0 HG12 VAL A 64 2.186 -6.855 -3.138 1.00 53.45 H new ATOM 0 HG13 VAL A 64 1.275 -6.254 -1.732 1.00 53.45 H new ATOM 0 HG21 VAL A 64 0.756 -3.441 -2.912 1.00 74.33 H new ATOM 0 HG22 VAL A 64 1.307 -3.711 -1.242 1.00 74.33 H new ATOM 0 HG23 VAL A 64 2.240 -2.652 -2.327 1.00 74.33 H new ATOM 1039 N GLU A 65 5.459 -3.674 -2.987 1.00 23.14 N ATOM 1040 CA GLU A 65 6.323 -2.509 -3.216 1.00 75.44 C ATOM 1041 C GLU A 65 5.687 -1.541 -4.219 1.00 22.31 C ATOM 1042 O GLU A 65 5.415 -1.900 -5.366 1.00 62.22 O ATOM 1043 CB GLU A 65 7.715 -2.924 -3.713 1.00 3.11 C ATOM 1044 CG GLU A 65 8.632 -1.734 -3.997 1.00 52.11 C ATOM 1045 CD GLU A 65 9.999 -2.138 -4.524 1.00 53.02 C ATOM 1046 OE1 GLU A 65 10.084 -2.573 -5.692 1.00 3.24 O ATOM 1047 OE2 GLU A 65 10.998 -1.997 -3.782 1.00 12.22 O ATOM 0 H GLU A 65 5.570 -4.427 -3.666 1.00 23.14 H new ATOM 0 HA GLU A 65 6.436 -2.005 -2.256 1.00 75.44 H new ATOM 0 HB2 GLU A 65 8.184 -3.566 -2.967 1.00 3.11 H new ATOM 0 HB3 GLU A 65 7.608 -3.517 -4.621 1.00 3.11 H new ATOM 0 HG2 GLU A 65 8.150 -1.079 -4.723 1.00 52.11 H new ATOM 0 HG3 GLU A 65 8.760 -1.157 -3.081 1.00 52.11 H new ATOM 1054 N THR A 66 5.451 -0.314 -3.774 1.00 21.41 N ATOM 1055 CA THR A 66 4.867 0.733 -4.618 1.00 23.31 C ATOM 1056 C THR A 66 5.883 1.853 -4.870 1.00 51.23 C ATOM 1057 O THR A 66 7.004 1.811 -4.362 1.00 63.23 O ATOM 1058 CB THR A 66 3.615 1.354 -3.955 1.00 14.52 C ATOM 1059 OG1 THR A 66 4.001 2.091 -2.783 1.00 0.44 O ATOM 1060 CG2 THR A 66 2.599 0.279 -3.575 1.00 10.41 C ATOM 0 H THR A 66 5.656 -0.012 -2.822 1.00 21.41 H new ATOM 0 HA THR A 66 4.585 0.264 -5.561 1.00 23.31 H new ATOM 0 HB THR A 66 3.147 2.025 -4.675 1.00 14.52 H new ATOM 0 HG1 THR A 66 4.568 1.529 -2.215 1.00 0.44 H new ATOM 0 HG21 THR A 66 1.731 0.747 -3.111 1.00 10.41 H new ATOM 0 HG22 THR A 66 2.287 -0.259 -4.470 1.00 10.41 H new ATOM 0 HG23 THR A 66 3.054 -0.419 -2.872 1.00 10.41 H new ATOM 1068 N ASN A 67 5.483 2.865 -5.638 1.00 45.40 N ATOM 1069 CA ASN A 67 6.325 4.052 -5.850 1.00 25.03 C ATOM 1070 C ASN A 67 6.515 4.851 -4.543 1.00 11.23 C ATOM 1071 O ASN A 67 7.367 5.739 -4.464 1.00 14.33 O ATOM 1072 CB ASN A 67 5.755 4.949 -6.971 1.00 10.53 C ATOM 1073 CG ASN A 67 4.247 5.147 -6.893 1.00 22.22 C ATOM 1074 OD1 ASN A 67 3.513 4.269 -6.464 1.00 73.41 O ATOM 1075 ND2 ASN A 67 3.775 6.300 -7.311 1.00 34.35 N ATOM 0 H ASN A 67 4.586 2.892 -6.124 1.00 45.40 H new ATOM 0 HA ASN A 67 7.307 3.703 -6.168 1.00 25.03 H new ATOM 0 HB2 ASN A 67 6.243 5.923 -6.927 1.00 10.53 H new ATOM 0 HB3 ASN A 67 6.005 4.510 -7.937 1.00 10.53 H new ATOM 0 HD21 ASN A 67 2.772 6.481 -7.282 1.00 34.35 H new ATOM 0 HD22 ASN A 67 4.412 7.014 -7.664 1.00 34.35 H new ATOM 1082 N LEU A 68 5.726 4.519 -3.513 1.00 71.14 N ATOM 1083 CA LEU A 68 5.876 5.126 -2.182 1.00 33.00 C ATOM 1084 C LEU A 68 6.591 4.170 -1.204 1.00 34.41 C ATOM 1085 O LEU A 68 6.776 4.492 -0.026 1.00 72.34 O ATOM 1086 CB LEU A 68 4.497 5.516 -1.620 1.00 32.02 C ATOM 1087 CG LEU A 68 3.721 6.558 -2.444 1.00 64.12 C ATOM 1088 CD1 LEU A 68 2.377 6.880 -1.790 1.00 22.21 C ATOM 1089 CD2 LEU A 68 4.555 7.825 -2.623 1.00 41.42 C ATOM 0 H LEU A 68 4.975 3.832 -3.575 1.00 71.14 H new ATOM 0 HA LEU A 68 6.490 6.020 -2.290 1.00 33.00 H new ATOM 0 HB2 LEU A 68 3.888 4.615 -1.538 1.00 32.02 H new ATOM 0 HB3 LEU A 68 4.631 5.903 -0.610 1.00 32.02 H new ATOM 0 HG LEU A 68 3.521 6.136 -3.429 1.00 64.12 H new ATOM 0 HD11 LEU A 68 1.847 7.619 -2.391 1.00 22.21 H new ATOM 0 HD12 LEU A 68 1.779 5.971 -1.722 1.00 22.21 H new ATOM 0 HD13 LEU A 68 2.545 7.279 -0.790 1.00 22.21 H new ATOM 0 HD21 LEU A 68 3.992 8.552 -3.208 1.00 41.42 H new ATOM 0 HD22 LEU A 68 4.788 8.248 -1.646 1.00 41.42 H new ATOM 0 HD23 LEU A 68 5.481 7.580 -3.143 1.00 41.42 H new ATOM 1101 N GLY A 69 6.998 3.001 -1.698 1.00 63.14 N ATOM 1102 CA GLY A 69 7.655 2.003 -0.855 1.00 21.14 C ATOM 1103 C GLY A 69 6.738 0.840 -0.484 1.00 74.13 C ATOM 1104 O GLY A 69 5.703 0.632 -1.117 1.00 74.20 O ATOM 0 H GLY A 69 6.885 2.723 -2.673 1.00 63.14 H new ATOM 0 HA2 GLY A 69 8.531 1.616 -1.375 1.00 21.14 H new ATOM 0 HA3 GLY A 69 8.011 2.483 0.057 1.00 21.14 H new ATOM 1108 N ASN A 70 7.117 0.076 0.543 1.00 32.10 N ATOM 1109 CA ASN A 70 6.308 -1.069 0.992 1.00 52.24 C ATOM 1110 C ASN A 70 4.956 -0.629 1.572 1.00 1.22 C ATOM 1111 O ASN A 70 4.884 0.257 2.421 1.00 61.32 O ATOM 1112 CB ASN A 70 7.061 -1.902 2.035 1.00 42.13 C ATOM 1113 CG ASN A 70 8.362 -2.461 1.497 1.00 63.33 C ATOM 1114 OD1 ASN A 70 9.422 -1.879 1.679 1.00 44.12 O ATOM 1115 ND2 ASN A 70 8.289 -3.589 0.820 1.00 31.12 N ATOM 0 H ASN A 70 7.972 0.224 1.079 1.00 32.10 H new ATOM 0 HA ASN A 70 6.120 -1.680 0.109 1.00 52.24 H new ATOM 0 HB2 ASN A 70 7.268 -1.284 2.909 1.00 42.13 H new ATOM 0 HB3 ASN A 70 6.426 -2.723 2.368 1.00 42.13 H new ATOM 0 HD21 ASN A 70 9.134 -4.004 0.428 1.00 31.12 H new ATOM 0 HD22 ASN A 70 7.387 -4.047 0.688 1.00 31.12 H new ATOM 1122 N VAL A 71 3.888 -1.259 1.101 1.00 64.33 N ATOM 1123 CA VAL A 71 2.539 -0.996 1.601 1.00 54.24 C ATOM 1124 C VAL A 71 1.860 -2.309 2.026 1.00 33.22 C ATOM 1125 O VAL A 71 1.818 -3.270 1.252 1.00 33.34 O ATOM 1126 CB VAL A 71 1.668 -0.291 0.528 1.00 31.45 C ATOM 1127 CG1 VAL A 71 0.284 0.046 1.079 1.00 41.44 C ATOM 1128 CG2 VAL A 71 2.364 0.965 0.006 1.00 24.25 C ATOM 0 H VAL A 71 3.928 -1.964 0.365 1.00 64.33 H new ATOM 0 HA VAL A 71 2.631 -0.336 2.464 1.00 54.24 H new ATOM 0 HB VAL A 71 1.538 -0.981 -0.306 1.00 31.45 H new ATOM 0 HG11 VAL A 71 -0.305 0.539 0.306 1.00 41.44 H new ATOM 0 HG12 VAL A 71 -0.218 -0.871 1.388 1.00 41.44 H new ATOM 0 HG13 VAL A 71 0.386 0.711 1.937 1.00 41.44 H new ATOM 0 HG21 VAL A 71 1.736 1.444 -0.745 1.00 24.25 H new ATOM 0 HG22 VAL A 71 2.534 1.657 0.831 1.00 24.25 H new ATOM 0 HG23 VAL A 71 3.320 0.692 -0.441 1.00 24.25 H new ATOM 1138 N ARG A 72 1.345 -2.361 3.255 1.00 73.23 N ATOM 1139 CA ARG A 72 0.678 -3.569 3.754 1.00 34.24 C ATOM 1140 C ARG A 72 -0.811 -3.553 3.401 1.00 43.34 C ATOM 1141 O ARG A 72 -1.555 -2.683 3.859 1.00 43.12 O ATOM 1142 CB ARG A 72 0.842 -3.701 5.275 1.00 41.14 C ATOM 1143 CG ARG A 72 0.407 -5.065 5.811 1.00 54.41 C ATOM 1144 CD ARG A 72 0.496 -5.142 7.330 1.00 31.14 C ATOM 1145 NE ARG A 72 -0.535 -4.341 7.991 1.00 43.13 N ATOM 1146 CZ ARG A 72 -0.644 -4.217 9.289 1.00 75.44 C ATOM 1147 NH1 ARG A 72 0.206 -4.784 10.085 1.00 3.14 N ATOM 1148 NH2 ARG A 72 -1.610 -3.524 9.793 1.00 13.24 N ATOM 0 H ARG A 72 1.375 -1.588 3.920 1.00 73.23 H new ATOM 0 HA ARG A 72 1.150 -4.426 3.273 1.00 34.24 H new ATOM 0 HB2 ARG A 72 1.886 -3.531 5.538 1.00 41.14 H new ATOM 0 HB3 ARG A 72 0.259 -2.922 5.766 1.00 41.14 H new ATOM 0 HG2 ARG A 72 -0.618 -5.266 5.498 1.00 54.41 H new ATOM 0 HG3 ARG A 72 1.033 -5.842 5.372 1.00 54.41 H new ATOM 0 HD2 ARG A 72 0.402 -6.181 7.644 1.00 31.14 H new ATOM 0 HD3 ARG A 72 1.480 -4.800 7.651 1.00 31.14 H new ATOM 0 HE ARG A 72 -1.209 -3.850 7.404 1.00 43.13 H new ATOM 0 HH11 ARG A 72 0.973 -5.336 9.702 1.00 3.14 H new ATOM 0 HH12 ARG A 72 0.108 -4.678 11.095 1.00 3.14 H new ATOM 0 HH21 ARG A 72 -2.288 -3.073 9.179 1.00 13.24 H new ATOM 0 HH22 ARG A 72 -1.695 -3.428 10.805 1.00 13.24 H new ATOM 1162 N VAL A 73 -1.239 -4.521 2.601 1.00 74.30 N ATOM 1163 CA VAL A 73 -2.627 -4.585 2.142 1.00 42.12 C ATOM 1164 C VAL A 73 -3.597 -4.860 3.302 1.00 1.54 C ATOM 1165 O VAL A 73 -3.409 -5.804 4.077 1.00 73.23 O ATOM 1166 CB VAL A 73 -2.801 -5.668 1.051 1.00 43.01 C ATOM 1167 CG1 VAL A 73 -4.230 -5.675 0.512 1.00 3.00 C ATOM 1168 CG2 VAL A 73 -1.790 -5.463 -0.078 1.00 33.54 C ATOM 0 H VAL A 73 -0.646 -5.275 2.254 1.00 74.30 H new ATOM 0 HA VAL A 73 -2.866 -3.610 1.718 1.00 42.12 H new ATOM 0 HB VAL A 73 -2.611 -6.641 1.504 1.00 43.01 H new ATOM 0 HG11 VAL A 73 -4.326 -6.445 -0.253 1.00 3.00 H new ATOM 0 HG12 VAL A 73 -4.925 -5.883 1.326 1.00 3.00 H new ATOM 0 HG13 VAL A 73 -4.460 -4.702 0.079 1.00 3.00 H new ATOM 0 HG21 VAL A 73 -1.929 -6.235 -0.835 1.00 33.54 H new ATOM 0 HG22 VAL A 73 -1.941 -4.482 -0.528 1.00 33.54 H new ATOM 0 HG23 VAL A 73 -0.779 -5.526 0.323 1.00 33.54 H new ATOM 1178 N THR A 74 -4.625 -4.019 3.424 1.00 71.03 N ATOM 1179 CA THR A 74 -5.629 -4.152 4.489 1.00 64.02 C ATOM 1180 C THR A 74 -7.007 -4.541 3.929 1.00 13.32 C ATOM 1181 O THR A 74 -7.643 -5.474 4.421 1.00 3.00 O ATOM 1182 CB THR A 74 -5.780 -2.837 5.293 1.00 1.34 C ATOM 1183 OG1 THR A 74 -6.235 -1.782 4.429 1.00 41.10 O ATOM 1184 CG2 THR A 74 -4.456 -2.432 5.942 1.00 30.42 C ATOM 0 H THR A 74 -4.788 -3.232 2.795 1.00 71.03 H new ATOM 0 HA THR A 74 -5.271 -4.944 5.146 1.00 64.02 H new ATOM 0 HB THR A 74 -6.513 -3.007 6.082 1.00 1.34 H new ATOM 0 HG1 THR A 74 -5.781 -1.849 3.563 1.00 41.10 H new ATOM 0 HG21 THR A 74 -4.593 -1.505 6.500 1.00 30.42 H new ATOM 0 HG22 THR A 74 -4.128 -3.219 6.621 1.00 30.42 H new ATOM 0 HG23 THR A 74 -3.703 -2.282 5.169 1.00 30.42 H new ATOM 1192 N SER A 75 -7.469 -3.821 2.906 1.00 24.11 N ATOM 1193 CA SER A 75 -8.786 -4.095 2.302 1.00 12.43 C ATOM 1194 C SER A 75 -8.706 -5.205 1.249 1.00 23.22 C ATOM 1195 O SER A 75 -7.660 -5.431 0.641 1.00 50.24 O ATOM 1196 CB SER A 75 -9.364 -2.833 1.643 1.00 45.45 C ATOM 1197 OG SER A 75 -8.686 -2.519 0.431 1.00 71.33 O ATOM 0 H SER A 75 -6.960 -3.048 2.477 1.00 24.11 H new ATOM 0 HA SER A 75 -9.439 -4.419 3.112 1.00 12.43 H new ATOM 0 HB2 SER A 75 -10.425 -2.981 1.440 1.00 45.45 H new ATOM 0 HB3 SER A 75 -9.286 -1.993 2.333 1.00 45.45 H new ATOM 0 HG SER A 75 -9.281 -2.686 -0.329 1.00 71.33 H new ATOM 1203 N ARG A 76 -9.826 -5.885 1.024 1.00 30.23 N ATOM 1204 CA ARG A 76 -9.909 -6.910 -0.018 1.00 71.42 C ATOM 1205 C ARG A 76 -9.881 -6.241 -1.410 1.00 13.40 C ATOM 1206 O ARG A 76 -10.766 -5.448 -1.738 1.00 73.42 O ATOM 1207 CB ARG A 76 -11.200 -7.734 0.175 1.00 44.40 C ATOM 1208 CG ARG A 76 -11.183 -9.132 -0.453 1.00 51.22 C ATOM 1209 CD ARG A 76 -11.155 -9.107 -1.981 1.00 63.12 C ATOM 1210 NE ARG A 76 -11.139 -10.454 -2.550 1.00 31.51 N ATOM 1211 CZ ARG A 76 -10.430 -10.810 -3.588 1.00 24.52 C ATOM 1212 NH1 ARG A 76 -9.696 -9.943 -4.218 1.00 43.33 N ATOM 1213 NH2 ARG A 76 -10.471 -12.031 -4.009 1.00 53.04 N ATOM 0 H ARG A 76 -10.690 -5.747 1.548 1.00 30.23 H new ATOM 0 HA ARG A 76 -9.054 -7.583 0.054 1.00 71.42 H new ATOM 0 HB2 ARG A 76 -11.391 -7.836 1.243 1.00 44.40 H new ATOM 0 HB3 ARG A 76 -12.035 -7.174 -0.246 1.00 44.40 H new ATOM 0 HG2 ARG A 76 -10.311 -9.676 -0.089 1.00 51.22 H new ATOM 0 HG3 ARG A 76 -12.063 -9.683 -0.121 1.00 51.22 H new ATOM 0 HD2 ARG A 76 -12.027 -8.567 -2.351 1.00 63.12 H new ATOM 0 HD3 ARG A 76 -10.275 -8.560 -2.319 1.00 63.12 H new ATOM 0 HE ARG A 76 -11.721 -11.164 -2.106 1.00 31.51 H new ATOM 0 HH11 ARG A 76 -9.669 -8.973 -3.903 1.00 43.33 H new ATOM 0 HH12 ARG A 76 -9.146 -10.232 -5.027 1.00 43.33 H new ATOM 0 HH21 ARG A 76 -11.057 -12.716 -3.531 1.00 53.04 H new ATOM 0 HH22 ARG A 76 -9.918 -12.310 -4.819 1.00 53.04 H new ATOM 1227 N PRO A 77 -8.865 -6.542 -2.248 1.00 51.15 N ATOM 1228 CA PRO A 77 -8.729 -5.932 -3.585 1.00 34.25 C ATOM 1229 C PRO A 77 -10.011 -6.021 -4.425 1.00 35.50 C ATOM 1230 O PRO A 77 -10.519 -7.113 -4.687 1.00 55.15 O ATOM 1231 CB PRO A 77 -7.612 -6.752 -4.236 1.00 60.12 C ATOM 1232 CG PRO A 77 -6.798 -7.245 -3.095 1.00 15.13 C ATOM 1233 CD PRO A 77 -7.765 -7.488 -1.964 1.00 63.33 C ATOM 0 HA PRO A 77 -8.520 -4.865 -3.515 1.00 34.25 H new ATOM 0 HB2 PRO A 77 -8.016 -7.578 -4.821 1.00 60.12 H new ATOM 0 HB3 PRO A 77 -7.016 -6.142 -4.914 1.00 60.12 H new ATOM 0 HG2 PRO A 77 -6.270 -8.161 -3.360 1.00 15.13 H new ATOM 0 HG3 PRO A 77 -6.042 -6.513 -2.811 1.00 15.13 H new ATOM 0 HD2 PRO A 77 -8.116 -8.520 -1.949 1.00 63.33 H new ATOM 0 HD3 PRO A 77 -7.307 -7.293 -0.994 1.00 63.33 H new ATOM 1241 N GLY A 78 -10.533 -4.867 -4.837 1.00 74.30 N ATOM 1242 CA GLY A 78 -11.747 -4.835 -5.645 1.00 12.23 C ATOM 1243 C GLY A 78 -12.725 -3.749 -5.204 1.00 53.40 C ATOM 1244 O GLY A 78 -13.592 -3.332 -5.974 1.00 14.12 O ATOM 0 H GLY A 78 -10.138 -3.951 -4.626 1.00 74.30 H new ATOM 0 HA2 GLY A 78 -11.479 -4.673 -6.689 1.00 12.23 H new ATOM 0 HA3 GLY A 78 -12.240 -5.805 -5.590 1.00 12.23 H new ATOM 1248 N GLN A 79 -12.582 -3.292 -3.962 1.00 22.12 N ATOM 1249 CA GLN A 79 -13.449 -2.244 -3.403 1.00 23.15 C ATOM 1250 C GLN A 79 -13.448 -0.977 -4.272 1.00 3.34 C ATOM 1251 O GLN A 79 -12.431 -0.301 -4.387 1.00 0.32 O ATOM 1252 CB GLN A 79 -12.996 -1.909 -1.974 1.00 11.03 C ATOM 1253 CG GLN A 79 -13.164 -3.067 -0.996 1.00 34.12 C ATOM 1254 CD GLN A 79 -14.623 -3.410 -0.747 1.00 3.13 C ATOM 1255 OE1 GLN A 79 -15.490 -2.539 -0.767 1.00 54.11 O ATOM 1256 NE2 GLN A 79 -14.913 -4.676 -0.536 1.00 53.44 N ATOM 0 H GLN A 79 -11.870 -3.631 -3.315 1.00 22.12 H new ATOM 0 HA GLN A 79 -14.470 -2.625 -3.385 1.00 23.15 H new ATOM 0 HB2 GLN A 79 -11.948 -1.610 -1.994 1.00 11.03 H new ATOM 0 HB3 GLN A 79 -13.565 -1.053 -1.612 1.00 11.03 H new ATOM 0 HG2 GLN A 79 -12.649 -3.945 -1.385 1.00 34.12 H new ATOM 0 HG3 GLN A 79 -12.687 -2.811 -0.050 1.00 34.12 H new ATOM 0 HE21 GLN A 79 -14.170 -5.375 -0.526 1.00 53.44 H new ATOM 0 HE22 GLN A 79 -15.881 -4.959 -0.383 1.00 53.44 H new ATOM 1265 N ASP A 80 -14.592 -0.687 -4.905 1.00 5.52 N ATOM 1266 CA ASP A 80 -14.746 0.493 -5.775 1.00 71.01 C ATOM 1267 C ASP A 80 -13.706 0.514 -6.912 1.00 33.40 C ATOM 1268 O ASP A 80 -13.453 1.558 -7.520 1.00 53.52 O ATOM 1269 CB ASP A 80 -14.652 1.781 -4.947 1.00 51.13 C ATOM 1270 CG ASP A 80 -15.721 1.853 -3.873 1.00 32.43 C ATOM 1271 OD1 ASP A 80 -16.897 2.091 -4.217 1.00 33.12 O ATOM 1272 OD2 ASP A 80 -15.396 1.684 -2.679 1.00 14.43 O ATOM 0 H ASP A 80 -15.434 -1.258 -4.831 1.00 5.52 H new ATOM 0 HA ASP A 80 -15.732 0.431 -6.235 1.00 71.01 H new ATOM 0 HB2 ASP A 80 -13.668 1.841 -4.482 1.00 51.13 H new ATOM 0 HB3 ASP A 80 -14.745 2.643 -5.608 1.00 51.13 H new ATOM 1277 N GLY A 81 -13.133 -0.649 -7.216 1.00 52.12 N ATOM 1278 CA GLY A 81 -12.085 -0.733 -8.229 1.00 44.42 C ATOM 1279 C GLY A 81 -10.728 -0.241 -7.730 1.00 15.42 C ATOM 1280 O GLY A 81 -9.948 0.335 -8.493 1.00 45.03 O ATOM 0 H GLY A 81 -13.375 -1.539 -6.779 1.00 52.12 H new ATOM 0 HA2 GLY A 81 -11.990 -1.767 -8.560 1.00 44.42 H new ATOM 0 HA3 GLY A 81 -12.380 -0.146 -9.098 1.00 44.42 H new ATOM 1284 N VAL A 82 -10.447 -0.455 -6.442 1.00 44.30 N ATOM 1285 CA VAL A 82 -9.163 -0.055 -5.853 1.00 23.34 C ATOM 1286 C VAL A 82 -8.780 -0.963 -4.665 1.00 41.44 C ATOM 1287 O VAL A 82 -9.590 -1.766 -4.187 1.00 31.30 O ATOM 1288 CB VAL A 82 -9.201 1.433 -5.394 1.00 43.23 C ATOM 1289 CG1 VAL A 82 -10.050 1.604 -4.133 1.00 13.21 C ATOM 1290 CG2 VAL A 82 -7.793 1.996 -5.191 1.00 10.22 C ATOM 0 H VAL A 82 -11.089 -0.902 -5.787 1.00 44.30 H new ATOM 0 HA VAL A 82 -8.403 -0.165 -6.627 1.00 23.34 H new ATOM 0 HB VAL A 82 -9.671 2.007 -6.193 1.00 43.23 H new ATOM 0 HG11 VAL A 82 -10.056 2.653 -3.838 1.00 13.21 H new ATOM 0 HG12 VAL A 82 -11.070 1.277 -4.334 1.00 13.21 H new ATOM 0 HG13 VAL A 82 -9.629 1.003 -3.327 1.00 13.21 H new ATOM 0 HG21 VAL A 82 -7.860 3.036 -4.871 1.00 10.22 H new ATOM 0 HG22 VAL A 82 -7.275 1.414 -4.429 1.00 10.22 H new ATOM 0 HG23 VAL A 82 -7.240 1.940 -6.129 1.00 10.22 H new ATOM 1300 N ILE A 83 -7.532 -0.852 -4.219 1.00 42.51 N ATOM 1301 CA ILE A 83 -7.032 -1.586 -3.049 1.00 31.01 C ATOM 1302 C ILE A 83 -6.590 -0.592 -1.959 1.00 65.00 C ATOM 1303 O ILE A 83 -6.148 0.502 -2.276 1.00 4.22 O ATOM 1304 CB ILE A 83 -5.831 -2.486 -3.440 1.00 25.24 C ATOM 1305 CG1 ILE A 83 -6.166 -3.301 -4.700 1.00 70.34 C ATOM 1306 CG2 ILE A 83 -5.444 -3.409 -2.282 1.00 2.53 C ATOM 1307 CD1 ILE A 83 -5.003 -4.104 -5.242 1.00 65.24 C ATOM 0 H ILE A 83 -6.834 -0.251 -4.656 1.00 42.51 H new ATOM 0 HA ILE A 83 -7.836 -2.216 -2.669 1.00 31.01 H new ATOM 0 HB ILE A 83 -4.976 -1.847 -3.659 1.00 25.24 H new ATOM 0 HG12 ILE A 83 -6.988 -3.980 -4.473 1.00 70.34 H new ATOM 0 HG13 ILE A 83 -6.518 -2.622 -5.476 1.00 70.34 H new ATOM 0 HG21 ILE A 83 -4.600 -4.031 -2.579 1.00 2.53 H new ATOM 0 HG22 ILE A 83 -5.166 -2.809 -1.416 1.00 2.53 H new ATOM 0 HG23 ILE A 83 -6.291 -4.046 -2.025 1.00 2.53 H new ATOM 0 HD11 ILE A 83 -5.321 -4.650 -6.130 1.00 65.24 H new ATOM 0 HD12 ILE A 83 -4.186 -3.431 -5.503 1.00 65.24 H new ATOM 0 HD13 ILE A 83 -4.664 -4.810 -4.484 1.00 65.24 H new ATOM 1319 N ASN A 84 -6.722 -0.953 -0.682 1.00 21.32 N ATOM 1320 CA ASN A 84 -6.318 -0.058 0.420 1.00 33.14 C ATOM 1321 C ASN A 84 -5.261 -0.716 1.323 1.00 25.12 C ATOM 1322 O ASN A 84 -5.333 -1.917 1.605 1.00 12.41 O ATOM 1323 CB ASN A 84 -7.541 0.337 1.258 1.00 41.21 C ATOM 1324 CG ASN A 84 -8.622 1.015 0.433 1.00 62.32 C ATOM 1325 OD1 ASN A 84 -8.641 2.231 0.288 1.00 61.35 O ATOM 1326 ND2 ASN A 84 -9.531 0.234 -0.115 1.00 43.14 N ATOM 0 H ASN A 84 -7.102 -1.850 -0.379 1.00 21.32 H new ATOM 0 HA ASN A 84 -5.877 0.834 -0.024 1.00 33.14 H new ATOM 0 HB2 ASN A 84 -7.955 -0.553 1.731 1.00 41.21 H new ATOM 0 HB3 ASN A 84 -7.227 1.007 2.059 1.00 41.21 H new ATOM 0 HD21 ASN A 84 -10.278 0.639 -0.679 1.00 43.14 H new ATOM 0 HD22 ASN A 84 -9.487 -0.775 0.025 1.00 43.14 H new ATOM 1333 N GLY A 85 -4.279 0.073 1.772 1.00 43.54 N ATOM 1334 CA GLY A 85 -3.229 -0.451 2.649 1.00 41.01 C ATOM 1335 C GLY A 85 -2.460 0.639 3.400 1.00 4.20 C ATOM 1336 O GLY A 85 -2.688 1.828 3.179 1.00 73.22 O ATOM 0 H GLY A 85 -4.190 1.064 1.546 1.00 43.54 H new ATOM 0 HA2 GLY A 85 -3.677 -1.132 3.372 1.00 41.01 H new ATOM 0 HA3 GLY A 85 -2.527 -1.035 2.054 1.00 41.01 H new ATOM 1340 N VAL A 86 -1.537 0.236 4.281 1.00 2.33 N ATOM 1341 CA VAL A 86 -0.755 1.195 5.088 1.00 41.54 C ATOM 1342 C VAL A 86 0.709 1.256 4.618 1.00 35.30 C ATOM 1343 O VAL A 86 1.283 0.243 4.219 1.00 1.24 O ATOM 1344 CB VAL A 86 -0.770 0.825 6.596 1.00 4.53 C ATOM 1345 CG1 VAL A 86 -0.393 2.028 7.462 1.00 60.41 C ATOM 1346 CG2 VAL A 86 -2.123 0.248 7.005 1.00 0.24 C ATOM 0 H VAL A 86 -1.310 -0.743 4.457 1.00 2.33 H new ATOM 0 HA VAL A 86 -1.228 2.167 4.951 1.00 41.54 H new ATOM 0 HB VAL A 86 -0.018 0.053 6.760 1.00 4.53 H new ATOM 0 HG11 VAL A 86 -0.412 1.740 8.513 1.00 60.41 H new ATOM 0 HG12 VAL A 86 0.608 2.368 7.197 1.00 60.41 H new ATOM 0 HG13 VAL A 86 -1.106 2.835 7.294 1.00 60.41 H new ATOM 0 HG21 VAL A 86 -2.106 -0.003 8.066 1.00 0.24 H new ATOM 0 HG22 VAL A 86 -2.904 0.985 6.819 1.00 0.24 H new ATOM 0 HG23 VAL A 86 -2.326 -0.651 6.423 1.00 0.24 H new ATOM 1356 N LEU A 87 1.313 2.439 4.690 1.00 25.10 N ATOM 1357 CA LEU A 87 2.704 2.631 4.260 1.00 34.31 C ATOM 1358 C LEU A 87 3.706 2.191 5.341 1.00 62.22 C ATOM 1359 O LEU A 87 3.817 2.818 6.397 1.00 21.53 O ATOM 1360 CB LEU A 87 2.937 4.106 3.903 1.00 63.13 C ATOM 1361 CG LEU A 87 4.303 4.426 3.279 1.00 11.44 C ATOM 1362 CD1 LEU A 87 4.492 3.659 1.972 1.00 0.23 C ATOM 1363 CD2 LEU A 87 4.447 5.929 3.051 1.00 61.30 C ATOM 0 H LEU A 87 0.864 3.284 5.042 1.00 25.10 H new ATOM 0 HA LEU A 87 2.870 2.006 3.383 1.00 34.31 H new ATOM 0 HB2 LEU A 87 2.157 4.422 3.210 1.00 63.13 H new ATOM 0 HB3 LEU A 87 2.821 4.704 4.807 1.00 63.13 H new ATOM 0 HG LEU A 87 5.081 4.109 3.973 1.00 11.44 H new ATOM 0 HD11 LEU A 87 5.466 3.900 1.546 1.00 0.23 H new ATOM 0 HD12 LEU A 87 4.436 2.588 2.167 1.00 0.23 H new ATOM 0 HD13 LEU A 87 3.709 3.941 1.268 1.00 0.23 H new ATOM 0 HD21 LEU A 87 5.421 6.138 2.608 1.00 61.30 H new ATOM 0 HD22 LEU A 87 3.661 6.272 2.378 1.00 61.30 H new ATOM 0 HD23 LEU A 87 4.362 6.451 4.004 1.00 61.30 H new ATOM 1375 N ILE A 88 4.442 1.114 5.073 1.00 64.14 N ATOM 1376 CA ILE A 88 5.452 0.610 6.015 1.00 50.21 C ATOM 1377 C ILE A 88 6.812 0.411 5.329 1.00 52.31 C ATOM 1378 O ILE A 88 6.972 0.684 4.136 1.00 15.02 O ATOM 1379 CB ILE A 88 5.015 -0.724 6.676 1.00 1.42 C ATOM 1380 CG1 ILE A 88 4.959 -1.852 5.634 1.00 21.14 C ATOM 1381 CG2 ILE A 88 3.670 -0.561 7.390 1.00 75.53 C ATOM 1382 CD1 ILE A 88 4.501 -3.182 6.197 1.00 72.54 C ATOM 0 H ILE A 88 4.362 0.571 4.213 1.00 64.14 H new ATOM 0 HA ILE A 88 5.550 1.369 6.791 1.00 50.21 H new ATOM 0 HB ILE A 88 5.758 -0.997 7.425 1.00 1.42 H new ATOM 0 HG12 ILE A 88 4.286 -1.557 4.829 1.00 21.14 H new ATOM 0 HG13 ILE A 88 5.948 -1.976 5.193 1.00 21.14 H new ATOM 0 HG21 ILE A 88 3.383 -1.508 7.846 1.00 75.53 H new ATOM 0 HG22 ILE A 88 3.759 0.202 8.163 1.00 75.53 H new ATOM 0 HG23 ILE A 88 2.910 -0.260 6.669 1.00 75.53 H new ATOM 0 HD11 ILE A 88 4.487 -3.928 5.402 1.00 72.54 H new ATOM 0 HD12 ILE A 88 5.187 -3.501 6.982 1.00 72.54 H new ATOM 0 HD13 ILE A 88 3.499 -3.076 6.612 1.00 72.54 H new ATOM 1394 N ARG A 89 7.798 -0.064 6.085 1.00 45.01 N ATOM 1395 CA ARG A 89 9.151 -0.272 5.551 1.00 43.33 C ATOM 1396 C ARG A 89 9.742 -1.621 6.007 1.00 14.52 C ATOM 1397 O ARG A 89 10.437 -1.689 7.019 1.00 43.40 O ATOM 1398 CB ARG A 89 10.088 0.873 5.990 1.00 22.40 C ATOM 1399 CG ARG A 89 9.606 2.279 5.619 1.00 13.15 C ATOM 1400 CD ARG A 89 9.519 2.480 4.109 1.00 64.04 C ATOM 1401 NE ARG A 89 9.111 3.841 3.746 1.00 40.23 N ATOM 1402 CZ ARG A 89 8.280 4.120 2.776 1.00 30.30 C ATOM 1403 NH1 ARG A 89 7.661 3.172 2.154 1.00 14.53 N ATOM 1404 NH2 ARG A 89 8.030 5.349 2.457 1.00 25.23 N ATOM 0 H ARG A 89 7.691 -0.313 7.068 1.00 45.01 H new ATOM 0 HA ARG A 89 9.071 -0.282 4.464 1.00 43.33 H new ATOM 0 HB2 ARG A 89 10.218 0.823 7.071 1.00 22.40 H new ATOM 0 HB3 ARG A 89 11.069 0.711 5.544 1.00 22.40 H new ATOM 0 HG2 ARG A 89 8.627 2.454 6.064 1.00 13.15 H new ATOM 0 HG3 ARG A 89 10.286 3.018 6.043 1.00 13.15 H new ATOM 0 HD2 ARG A 89 10.488 2.263 3.660 1.00 64.04 H new ATOM 0 HD3 ARG A 89 8.808 1.767 3.691 1.00 64.04 H new ATOM 0 HE ARG A 89 9.499 4.617 4.283 1.00 40.23 H new ATOM 0 HH11 ARG A 89 7.819 2.200 2.419 1.00 14.53 H new ATOM 0 HH12 ARG A 89 7.014 3.396 1.398 1.00 14.53 H new ATOM 0 HH21 ARG A 89 8.483 6.110 2.964 1.00 25.23 H new ATOM 0 HH22 ARG A 89 7.380 5.557 1.699 1.00 25.23 H new ATOM 1418 N GLU A 90 9.453 -2.699 5.271 1.00 71.40 N ATOM 1419 CA GLU A 90 10.040 -4.016 5.584 1.00 54.51 C ATOM 1420 C GLU A 90 11.386 -4.220 4.872 1.00 33.11 C ATOM 1421 O GLU A 90 12.356 -4.690 5.475 1.00 55.40 O ATOM 1422 CB GLU A 90 9.095 -5.168 5.203 1.00 71.22 C ATOM 1423 CG GLU A 90 7.812 -5.236 6.030 1.00 60.22 C ATOM 1424 CD GLU A 90 7.262 -6.655 6.141 1.00 11.30 C ATOM 1425 OE1 GLU A 90 7.444 -7.454 5.197 1.00 40.34 O ATOM 1426 OE2 GLU A 90 6.683 -6.990 7.196 1.00 54.25 O ATOM 0 H GLU A 90 8.827 -2.693 4.466 1.00 71.40 H new ATOM 0 HA GLU A 90 10.199 -4.029 6.662 1.00 54.51 H new ATOM 0 HB2 GLU A 90 8.829 -5.070 4.151 1.00 71.22 H new ATOM 0 HB3 GLU A 90 9.631 -6.111 5.309 1.00 71.22 H new ATOM 0 HG2 GLU A 90 8.007 -4.846 7.029 1.00 60.22 H new ATOM 0 HG3 GLU A 90 7.058 -4.592 5.578 1.00 60.22 H new ATOM 1433 N LEU A 91 11.438 -3.872 3.587 1.00 60.41 N ATOM 1434 CA LEU A 91 12.657 -4.043 2.791 1.00 12.13 C ATOM 1435 C LEU A 91 13.732 -3.016 3.177 1.00 73.22 C ATOM 1436 O LEU A 91 13.497 -2.125 3.996 1.00 24.41 O ATOM 1437 CB LEU A 91 12.336 -3.938 1.292 1.00 43.01 C ATOM 1438 CG LEU A 91 11.405 -5.032 0.740 1.00 54.10 C ATOM 1439 CD1 LEU A 91 11.149 -4.826 -0.751 1.00 63.10 C ATOM 1440 CD2 LEU A 91 11.982 -6.425 1.007 1.00 5.24 C ATOM 0 H LEU A 91 10.653 -3.471 3.074 1.00 60.41 H new ATOM 0 HA LEU A 91 13.053 -5.036 3.002 1.00 12.13 H new ATOM 0 HB2 LEU A 91 11.880 -2.966 1.102 1.00 43.01 H new ATOM 0 HB3 LEU A 91 13.272 -3.965 0.734 1.00 43.01 H new ATOM 0 HG LEU A 91 10.450 -4.957 1.260 1.00 54.10 H new ATOM 0 HD11 LEU A 91 10.488 -5.611 -1.119 1.00 63.10 H new ATOM 0 HD12 LEU A 91 10.681 -3.854 -0.909 1.00 63.10 H new ATOM 0 HD13 LEU A 91 12.095 -4.865 -1.291 1.00 63.10 H new ATOM 0 HD21 LEU A 91 11.306 -7.181 0.608 1.00 5.24 H new ATOM 0 HD22 LEU A 91 12.954 -6.515 0.523 1.00 5.24 H new ATOM 0 HD23 LEU A 91 12.097 -6.572 2.081 1.00 5.24 H new ATOM 1452 N GLU A 92 14.912 -3.155 2.586 1.00 5.52 N ATOM 1453 CA GLU A 92 16.035 -2.262 2.875 1.00 3.21 C ATOM 1454 C GLU A 92 15.744 -0.813 2.449 1.00 22.02 C ATOM 1455 O GLU A 92 15.256 -0.561 1.346 1.00 12.24 O ATOM 1456 CB GLU A 92 17.299 -2.754 2.157 1.00 64.00 C ATOM 1457 CG GLU A 92 18.503 -1.830 2.336 1.00 4.53 C ATOM 1458 CD GLU A 92 19.636 -2.140 1.375 1.00 0.34 C ATOM 1459 OE1 GLU A 92 19.535 -1.758 0.195 1.00 30.12 O ATOM 1460 OE2 GLU A 92 20.643 -2.745 1.799 1.00 33.15 O ATOM 0 H GLU A 92 15.120 -3.880 1.900 1.00 5.52 H new ATOM 0 HA GLU A 92 16.187 -2.275 3.954 1.00 3.21 H new ATOM 0 HB2 GLU A 92 17.555 -3.746 2.528 1.00 64.00 H new ATOM 0 HB3 GLU A 92 17.086 -2.857 1.093 1.00 64.00 H new ATOM 0 HG2 GLU A 92 18.186 -0.797 2.194 1.00 4.53 H new ATOM 0 HG3 GLU A 92 18.869 -1.913 3.359 1.00 4.53 H new ATOM 1467 N HIS A 93 16.052 0.138 3.328 1.00 42.32 N ATOM 1468 CA HIS A 93 16.005 1.556 2.966 1.00 3.15 C ATOM 1469 C HIS A 93 17.146 1.856 1.979 1.00 74.11 C ATOM 1470 O HIS A 93 18.302 1.998 2.379 1.00 2.13 O ATOM 1471 CB HIS A 93 16.127 2.438 4.220 1.00 2.33 C ATOM 1472 CG HIS A 93 15.016 2.248 5.215 1.00 74.23 C ATOM 1473 ND1 HIS A 93 14.077 3.218 5.490 1.00 25.44 N ATOM 1474 CD2 HIS A 93 14.710 1.202 6.022 1.00 63.41 C ATOM 1475 CE1 HIS A 93 13.249 2.784 6.417 1.00 40.25 C ATOM 1476 NE2 HIS A 93 13.609 1.565 6.760 1.00 60.04 N ATOM 0 H HIS A 93 16.335 -0.044 4.291 1.00 42.32 H new ATOM 0 HA HIS A 93 15.048 1.780 2.494 1.00 3.15 H new ATOM 0 HB2 HIS A 93 17.078 2.226 4.709 1.00 2.33 H new ATOM 0 HB3 HIS A 93 16.152 3.484 3.914 1.00 2.33 H new ATOM 0 HD2 HIS A 93 15.234 0.259 6.075 1.00 63.41 H new ATOM 0 HE1 HIS A 93 12.415 3.335 6.827 1.00 40.25 H new ATOM 0 HE2 HIS A 93 13.146 0.985 7.459 1.00 60.04 H new ATOM 1485 N HIS A 94 16.822 1.936 0.689 1.00 50.12 N ATOM 1486 CA HIS A 94 17.846 1.987 -0.369 1.00 60.43 C ATOM 1487 C HIS A 94 18.508 3.378 -0.511 1.00 52.20 C ATOM 1488 O HIS A 94 18.842 3.806 -1.615 1.00 12.35 O ATOM 1489 CB HIS A 94 17.222 1.556 -1.703 1.00 73.01 C ATOM 1490 CG HIS A 94 16.586 0.194 -1.657 1.00 72.44 C ATOM 1491 ND1 HIS A 94 17.287 -0.959 -1.367 1.00 52.31 N ATOM 1492 CD2 HIS A 94 15.304 -0.199 -1.859 1.00 44.13 C ATOM 1493 CE1 HIS A 94 16.470 -1.991 -1.396 1.00 21.54 C ATOM 1494 NE2 HIS A 94 15.264 -1.558 -1.692 1.00 22.43 N ATOM 0 H HIS A 94 15.862 1.967 0.346 1.00 50.12 H new ATOM 0 HA HIS A 94 18.641 1.298 -0.082 1.00 60.43 H new ATOM 0 HB2 HIS A 94 16.471 2.289 -1.997 1.00 73.01 H new ATOM 0 HB3 HIS A 94 17.992 1.562 -2.474 1.00 73.01 H new ATOM 0 HD1 HIS A 94 18.285 -1.005 -1.162 1.00 52.31 H new ATOM 0 HD2 HIS A 94 14.470 0.441 -2.106 1.00 44.13 H new ATOM 0 HE1 HIS A 94 16.744 -3.019 -1.209 1.00 21.54 H new ATOM 1503 N HIS A 95 18.727 4.066 0.611 1.00 23.44 N ATOM 1504 CA HIS A 95 19.420 5.361 0.606 1.00 20.55 C ATOM 1505 C HIS A 95 20.779 5.249 1.316 1.00 15.01 C ATOM 1506 O HIS A 95 20.937 5.670 2.463 1.00 11.45 O ATOM 1507 CB HIS A 95 18.558 6.436 1.283 1.00 73.10 C ATOM 1508 CG HIS A 95 17.204 6.612 0.661 1.00 23.53 C ATOM 1509 ND1 HIS A 95 16.948 7.529 -0.334 1.00 51.20 N ATOM 1510 CD2 HIS A 95 16.025 5.985 0.897 1.00 35.22 C ATOM 1511 CE1 HIS A 95 15.679 7.462 -0.680 1.00 21.40 C ATOM 1512 NE2 HIS A 95 15.097 6.535 0.048 1.00 11.30 N ATOM 0 H HIS A 95 18.435 3.750 1.536 1.00 23.44 H new ATOM 0 HA HIS A 95 19.591 5.652 -0.430 1.00 20.55 H new ATOM 0 HB2 HIS A 95 18.433 6.178 2.335 1.00 73.10 H new ATOM 0 HB3 HIS A 95 19.089 7.387 1.249 1.00 73.10 H new ATOM 0 HD2 HIS A 95 15.849 5.200 1.618 1.00 35.22 H new ATOM 0 HE1 HIS A 95 15.198 8.067 -1.434 1.00 21.40 H new ATOM 0 HE2 HIS A 95 14.114 6.268 -0.009 1.00 11.30 H new ATOM 1521 N HIS A 96 21.760 4.664 0.628 1.00 1.11 N ATOM 1522 CA HIS A 96 23.072 4.394 1.231 1.00 63.23 C ATOM 1523 C HIS A 96 24.017 5.599 1.124 1.00 10.14 C ATOM 1524 O HIS A 96 25.008 5.683 1.848 1.00 0.30 O ATOM 1525 CB HIS A 96 23.742 3.190 0.562 1.00 10.31 C ATOM 1526 CG HIS A 96 22.886 1.966 0.482 1.00 14.31 C ATOM 1527 ND1 HIS A 96 22.383 1.485 -0.705 1.00 53.21 N ATOM 1528 CD2 HIS A 96 22.464 1.107 1.439 1.00 21.01 C ATOM 1529 CE1 HIS A 96 21.690 0.392 -0.479 1.00 23.41 C ATOM 1530 NE2 HIS A 96 21.723 0.136 0.813 1.00 55.25 N ATOM 0 H HIS A 96 21.675 4.368 -0.344 1.00 1.11 H new ATOM 0 HA HIS A 96 22.888 4.184 2.285 1.00 63.23 H new ATOM 0 HB2 HIS A 96 24.044 3.473 -0.446 1.00 10.31 H new ATOM 0 HB3 HIS A 96 24.652 2.946 1.110 1.00 10.31 H new ATOM 0 HD1 HIS A 96 22.526 1.912 -1.620 1.00 53.21 H new ATOM 0 HD2 HIS A 96 22.671 1.173 2.497 1.00 21.01 H new ATOM 0 HE1 HIS A 96 21.179 -0.197 -1.226 1.00 23.41 H new ATOM 1539 N HIS A 97 23.724 6.527 0.217 1.00 22.43 N ATOM 1540 CA HIS A 97 24.639 7.643 -0.055 1.00 4.41 C ATOM 1541 C HIS A 97 24.537 8.743 1.017 1.00 13.22 C ATOM 1542 O HIS A 97 24.007 9.829 0.778 1.00 0.03 O ATOM 1543 CB HIS A 97 24.384 8.209 -1.458 1.00 11.33 C ATOM 1544 CG HIS A 97 24.465 7.162 -2.528 1.00 43.50 C ATOM 1545 ND1 HIS A 97 23.350 6.575 -3.090 1.00 0.55 N ATOM 1546 CD2 HIS A 97 25.533 6.573 -3.126 1.00 63.52 C ATOM 1547 CE1 HIS A 97 23.723 5.673 -3.972 1.00 72.35 C ATOM 1548 NE2 HIS A 97 25.037 5.652 -4.014 1.00 51.44 N ATOM 0 H HIS A 97 22.870 6.533 -0.340 1.00 22.43 H new ATOM 0 HA HIS A 97 25.658 7.258 -0.016 1.00 4.41 H new ATOM 0 HB2 HIS A 97 23.398 8.674 -1.484 1.00 11.33 H new ATOM 0 HB3 HIS A 97 25.112 8.993 -1.667 1.00 11.33 H new ATOM 0 HD2 HIS A 97 26.574 6.789 -2.938 1.00 63.52 H new ATOM 0 HE1 HIS A 97 23.062 5.055 -4.561 1.00 72.35 H new ATOM 0 HE2 HIS A 97 25.599 5.047 -4.612 1.00 51.44 H new ATOM 1557 N HIS A 98 25.035 8.426 2.209 1.00 60.33 N ATOM 1558 CA HIS A 98 25.097 9.364 3.339 1.00 42.24 C ATOM 1559 C HIS A 98 26.268 8.997 4.267 1.00 45.30 C ATOM 1560 O HIS A 98 27.264 9.754 4.315 1.00 37.05 O ATOM 1561 CB HIS A 98 23.780 9.369 4.140 1.00 11.43 C ATOM 1562 CG HIS A 98 22.651 10.107 3.481 1.00 42.21 C ATOM 1563 ND1 HIS A 98 22.630 11.475 3.346 1.00 75.25 N ATOM 1564 CD2 HIS A 98 21.488 9.667 2.944 1.00 64.40 C ATOM 1565 CE1 HIS A 98 21.510 11.845 2.764 1.00 64.11 C ATOM 1566 NE2 HIS A 98 20.792 10.770 2.507 1.00 41.21 N ATOM 1567 OXT HIS A 98 26.197 7.931 4.921 1.00 37.05 O ATOM 0 H HIS A 98 25.412 7.503 2.425 1.00 60.33 H new ATOM 0 HA HIS A 98 25.252 10.364 2.934 1.00 42.24 H new ATOM 0 HB2 HIS A 98 23.471 8.338 4.313 1.00 11.43 H new ATOM 0 HB3 HIS A 98 23.966 9.814 5.117 1.00 11.43 H new ATOM 0 HD2 HIS A 98 21.166 8.639 2.872 1.00 64.40 H new ATOM 0 HE1 HIS A 98 21.226 12.861 2.535 1.00 64.11 H new ATOM 0 HE2 HIS A 98 19.875 10.758 2.060 1.00 41.21 H new TER 1576 HIS A 98