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 70 ASN : amide:sc= -4.22! K(o=-3.6!,f=-4.8) USER MOD Set 1.2: A 93 HIS : no HD1:sc= 0.617 K(o=-3.6,f=-4.8!) USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.049 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 150:sc= 1.28 USER MOD Single : A 26 ASN : amide:sc= -2.43! K(o=-2.4!,f=-0.13) USER MOD Single : A 32 THR OG1 : rot -66:sc= 1.01 USER MOD Single : A 34 LYS NZ :NH3+ 155:sc= 1.13 (180deg=0.707) USER MOD Single : A 42 ASN : amide:sc= 0.572 K(o=0.57,f=0) USER MOD Single : A 46 ASN : amide:sc= -2.1! C(o=-2.1!,f=-4.7!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 56 ASN : amide:sc= -0.0747 K(o=-0.075,f=-3.4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.916 USER MOD Single : A 66 THR OG1 : rot -39:sc= 1.3 USER MOD Single : A 67 ASN : amide:sc= -0.201 K(o=-0.2,f=-12!) USER MOD Single : A 79 GLN : amide:sc= -1.25 X(o=-1.3,f=-1.6) USER MOD Single : A 84 ASN : amide:sc=-0.00163 X(o=-0.0016,f=0) USER MOD Single : A 94 HIS : no HD1:sc=-0.00987 X(o=-0.0099,f=-0.07) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 96 HIS : no HE2:sc= -0.238 K(o=-0.24,f=-2.3) USER MOD Single : A 97 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=-0.014) USER MOD Single : A 98 HIS : no HE2:sc= -0.288 K(o=-0.29,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.946 20.194 -45.029 1.00 53.40 N ATOM 2 CA GLY A 1 -20.254 20.317 -44.325 1.00 33.35 C ATOM 3 C GLY A 1 -20.312 21.506 -43.371 1.00 31.41 C ATOM 4 O GLY A 1 -19.276 22.052 -42.982 1.00 40.13 O ATOM 0 H1 GLY A 1 -19.077 20.392 -46.042 1.00 53.40 H new ATOM 0 H2 GLY A 1 -18.270 20.875 -44.628 1.00 53.40 H new ATOM 0 H3 GLY A 1 -18.577 19.229 -44.910 1.00 53.40 H new ATOM 0 HA2 GLY A 1 -21.050 20.413 -45.064 1.00 33.35 H new ATOM 0 HA3 GLY A 1 -20.446 19.401 -43.766 1.00 33.35 H new ATOM 10 N ASP A 2 -21.525 21.910 -42.994 1.00 50.43 N ATOM 11 CA ASP A 2 -21.728 23.034 -42.072 1.00 71.25 C ATOM 12 C ASP A 2 -21.893 22.543 -40.616 1.00 40.32 C ATOM 13 O ASP A 2 -21.498 21.428 -40.275 1.00 73.34 O ATOM 14 CB ASP A 2 -22.956 23.843 -42.508 1.00 43.25 C ATOM 15 CG ASP A 2 -22.787 24.458 -43.887 1.00 30.33 C ATOM 16 OD1 ASP A 2 -22.155 25.532 -43.991 1.00 53.12 O ATOM 17 OD2 ASP A 2 -23.279 23.871 -44.874 1.00 24.45 O ATOM 0 H ASP A 2 -22.390 21.474 -43.314 1.00 50.43 H new ATOM 0 HA ASP A 2 -20.845 23.672 -42.106 1.00 71.25 H new ATOM 0 HB2 ASP A 2 -23.833 23.195 -42.507 1.00 43.25 H new ATOM 0 HB3 ASP A 2 -23.143 24.634 -41.781 1.00 43.25 H new ATOM 22 N ARG A 3 -22.473 23.385 -39.757 1.00 2.21 N ATOM 23 CA ARG A 3 -22.643 23.048 -38.336 1.00 1.15 C ATOM 24 C ARG A 3 -23.943 22.254 -38.102 1.00 60.00 C ATOM 25 O ARG A 3 -24.979 22.827 -37.757 1.00 54.21 O ATOM 26 CB ARG A 3 -22.644 24.323 -37.468 1.00 24.44 C ATOM 27 CG ARG A 3 -21.286 25.025 -37.344 1.00 51.31 C ATOM 28 CD ARG A 3 -20.773 25.556 -38.681 1.00 11.42 C ATOM 29 NE ARG A 3 -21.714 26.480 -39.317 1.00 54.22 N ATOM 30 CZ ARG A 3 -21.531 27.011 -40.498 1.00 13.40 C ATOM 31 NH1 ARG A 3 -20.467 26.740 -41.186 1.00 61.04 N ATOM 32 NH2 ARG A 3 -22.412 27.813 -40.993 1.00 63.11 N ATOM 0 H ARG A 3 -22.833 24.303 -40.017 1.00 2.21 H new ATOM 0 HA ARG A 3 -21.800 22.422 -38.044 1.00 1.15 H new ATOM 0 HB2 ARG A 3 -23.363 25.028 -37.885 1.00 24.44 H new ATOM 0 HB3 ARG A 3 -22.994 24.064 -36.469 1.00 24.44 H new ATOM 0 HG2 ARG A 3 -21.372 25.851 -36.638 1.00 51.31 H new ATOM 0 HG3 ARG A 3 -20.557 24.327 -36.931 1.00 51.31 H new ATOM 0 HD2 ARG A 3 -19.821 26.063 -38.525 1.00 11.42 H new ATOM 0 HD3 ARG A 3 -20.582 24.718 -39.352 1.00 11.42 H new ATOM 0 HE ARG A 3 -22.564 26.724 -38.808 1.00 54.22 H new ATOM 0 HH11 ARG A 3 -19.762 26.107 -40.807 1.00 61.04 H new ATOM 0 HH12 ARG A 3 -20.334 27.160 -42.106 1.00 61.04 H new ATOM 0 HH21 ARG A 3 -23.255 28.035 -40.463 1.00 63.11 H new ATOM 0 HH22 ARG A 3 -22.266 28.225 -41.914 1.00 63.11 H new ATOM 46 N ARG A 4 -23.891 20.939 -38.326 1.00 65.32 N ATOM 47 CA ARG A 4 -25.053 20.062 -38.106 1.00 25.41 C ATOM 48 C ARG A 4 -24.734 18.922 -37.123 1.00 74.13 C ATOM 49 O ARG A 4 -23.583 18.514 -36.989 1.00 33.15 O ATOM 50 CB ARG A 4 -25.557 19.459 -39.431 1.00 42.20 C ATOM 51 CG ARG A 4 -26.358 20.420 -40.311 1.00 24.33 C ATOM 52 CD ARG A 4 -25.477 21.448 -41.014 1.00 11.20 C ATOM 53 NE ARG A 4 -26.257 22.335 -41.874 1.00 4.51 N ATOM 54 CZ ARG A 4 -26.545 22.080 -43.122 1.00 50.34 C ATOM 55 NH1 ARG A 4 -26.099 21.010 -43.699 1.00 34.33 N ATOM 56 NH2 ARG A 4 -27.275 22.901 -43.797 1.00 61.23 N ATOM 0 H ARG A 4 -23.058 20.454 -38.660 1.00 65.32 H new ATOM 0 HA ARG A 4 -25.834 20.688 -37.674 1.00 25.41 H new ATOM 0 HB2 ARG A 4 -24.699 19.098 -39.999 1.00 42.20 H new ATOM 0 HB3 ARG A 4 -26.178 18.592 -39.206 1.00 42.20 H new ATOM 0 HG2 ARG A 4 -26.909 19.848 -41.058 1.00 24.33 H new ATOM 0 HG3 ARG A 4 -27.096 20.938 -39.698 1.00 24.33 H new ATOM 0 HD2 ARG A 4 -24.944 22.040 -40.270 1.00 11.20 H new ATOM 0 HD3 ARG A 4 -24.724 20.934 -41.611 1.00 11.20 H new ATOM 0 HE ARG A 4 -26.598 23.209 -41.474 1.00 4.51 H new ATOM 0 HH11 ARG A 4 -25.516 20.355 -43.178 1.00 34.33 H new ATOM 0 HH12 ARG A 4 -26.331 20.822 -44.674 1.00 34.33 H new ATOM 0 HH21 ARG A 4 -27.628 23.750 -43.356 1.00 61.23 H new ATOM 0 HH22 ARG A 4 -27.499 22.701 -44.772 1.00 61.23 H new ATOM 70 N VAL A 5 -25.778 18.437 -36.435 1.00 60.13 N ATOM 71 CA VAL A 5 -25.721 17.263 -35.526 1.00 44.34 C ATOM 72 C VAL A 5 -24.559 17.284 -34.505 1.00 11.42 C ATOM 73 O VAL A 5 -24.312 16.289 -33.829 1.00 52.10 O ATOM 74 CB VAL A 5 -25.698 15.917 -36.309 1.00 41.40 C ATOM 75 CG1 VAL A 5 -26.840 15.860 -37.320 1.00 62.52 C ATOM 76 CG2 VAL A 5 -24.347 15.673 -36.988 1.00 65.24 C ATOM 0 H VAL A 5 -26.708 18.852 -36.490 1.00 60.13 H new ATOM 0 HA VAL A 5 -26.643 17.340 -34.950 1.00 44.34 H new ATOM 0 HB VAL A 5 -25.841 15.115 -35.585 1.00 41.40 H new ATOM 0 HG11 VAL A 5 -26.805 14.911 -37.856 1.00 62.52 H new ATOM 0 HG12 VAL A 5 -27.793 15.947 -36.798 1.00 62.52 H new ATOM 0 HG13 VAL A 5 -26.739 16.681 -38.030 1.00 62.52 H new ATOM 0 HG21 VAL A 5 -24.375 14.724 -37.523 1.00 65.24 H new ATOM 0 HG22 VAL A 5 -24.142 16.480 -37.692 1.00 65.24 H new ATOM 0 HG23 VAL A 5 -23.561 15.642 -36.233 1.00 65.24 H new ATOM 86 N ARG A 6 -23.874 18.417 -34.361 1.00 20.23 N ATOM 87 CA ARG A 6 -22.781 18.532 -33.383 1.00 31.21 C ATOM 88 C ARG A 6 -23.313 18.836 -31.970 1.00 1.10 C ATOM 89 O ARG A 6 -22.548 18.945 -31.013 1.00 14.13 O ATOM 90 CB ARG A 6 -21.795 19.629 -33.807 1.00 13.00 C ATOM 91 CG ARG A 6 -21.139 19.385 -35.162 1.00 63.11 C ATOM 92 CD ARG A 6 -20.072 20.431 -35.465 1.00 31.13 C ATOM 93 NE ARG A 6 -18.977 20.395 -34.495 1.00 42.11 N ATOM 94 CZ ARG A 6 -18.398 21.453 -33.995 1.00 1.31 C ATOM 95 NH1 ARG A 6 -18.833 22.638 -34.276 1.00 11.00 N ATOM 96 NH2 ARG A 6 -17.400 21.319 -33.185 1.00 55.45 N ATOM 0 H ARG A 6 -24.050 19.264 -34.901 1.00 20.23 H new ATOM 0 HA ARG A 6 -22.267 17.571 -33.356 1.00 31.21 H new ATOM 0 HB2 ARG A 6 -22.320 20.584 -33.836 1.00 13.00 H new ATOM 0 HB3 ARG A 6 -21.017 19.716 -33.049 1.00 13.00 H new ATOM 0 HG2 ARG A 6 -20.690 18.392 -35.176 1.00 63.11 H new ATOM 0 HG3 ARG A 6 -21.899 19.403 -35.943 1.00 63.11 H new ATOM 0 HD2 ARG A 6 -19.675 20.264 -36.466 1.00 31.13 H new ATOM 0 HD3 ARG A 6 -20.525 21.422 -35.463 1.00 31.13 H new ATOM 0 HE ARG A 6 -18.643 19.481 -34.189 1.00 42.11 H new ATOM 0 HH11 ARG A 6 -19.636 22.753 -34.894 1.00 11.00 H new ATOM 0 HH12 ARG A 6 -18.373 23.457 -33.880 1.00 11.00 H new ATOM 0 HH21 ARG A 6 -17.066 20.388 -32.937 1.00 55.45 H new ATOM 0 HH22 ARG A 6 -16.947 22.145 -32.794 1.00 55.45 H new ATOM 110 N LEU A 7 -24.632 18.960 -31.848 1.00 64.15 N ATOM 111 CA LEU A 7 -25.267 19.322 -30.576 1.00 61.03 C ATOM 112 C LEU A 7 -25.537 18.086 -29.695 1.00 60.12 C ATOM 113 O LEU A 7 -26.100 18.203 -28.603 1.00 14.40 O ATOM 114 CB LEU A 7 -26.581 20.082 -30.832 1.00 20.43 C ATOM 115 CG LEU A 7 -26.445 21.453 -31.527 1.00 64.31 C ATOM 116 CD1 LEU A 7 -25.979 21.305 -32.975 1.00 43.50 C ATOM 117 CD2 LEU A 7 -27.768 22.216 -31.462 1.00 74.13 C ATOM 0 H LEU A 7 -25.288 18.815 -32.616 1.00 64.15 H new ATOM 0 HA LEU A 7 -24.573 19.968 -30.038 1.00 61.03 H new ATOM 0 HB2 LEU A 7 -27.230 19.451 -31.440 1.00 20.43 H new ATOM 0 HB3 LEU A 7 -27.084 20.230 -29.876 1.00 20.43 H new ATOM 0 HG LEU A 7 -25.684 22.023 -30.994 1.00 64.31 H new ATOM 0 HD11 LEU A 7 -25.895 22.291 -33.433 1.00 43.50 H new ATOM 0 HD12 LEU A 7 -25.008 20.811 -32.996 1.00 43.50 H new ATOM 0 HD13 LEU A 7 -26.702 20.708 -33.531 1.00 43.50 H new ATOM 0 HD21 LEU A 7 -27.656 23.181 -31.956 1.00 74.13 H new ATOM 0 HD22 LEU A 7 -28.546 21.639 -31.963 1.00 74.13 H new ATOM 0 HD23 LEU A 7 -28.047 22.372 -30.420 1.00 74.13 H new ATOM 129 N ILE A 8 -25.135 16.906 -30.167 1.00 20.22 N ATOM 130 CA ILE A 8 -25.320 15.666 -29.404 1.00 71.51 C ATOM 131 C ILE A 8 -24.037 15.272 -28.649 1.00 20.53 C ATOM 132 O ILE A 8 -22.988 15.027 -29.251 1.00 65.23 O ATOM 133 CB ILE A 8 -25.781 14.491 -30.311 1.00 14.11 C ATOM 134 CG1 ILE A 8 -25.955 13.203 -29.483 1.00 74.22 C ATOM 135 CG2 ILE A 8 -24.808 14.269 -31.469 1.00 64.43 C ATOM 136 CD1 ILE A 8 -26.449 12.014 -30.283 1.00 31.02 C ATOM 0 H ILE A 8 -24.680 16.780 -31.071 1.00 20.22 H new ATOM 0 HA ILE A 8 -26.107 15.864 -28.676 1.00 71.51 H new ATOM 0 HB ILE A 8 -26.748 14.756 -30.739 1.00 14.11 H new ATOM 0 HG12 ILE A 8 -25.000 12.947 -29.024 1.00 74.22 H new ATOM 0 HG13 ILE A 8 -26.656 13.398 -28.671 1.00 74.22 H new ATOM 0 HG21 ILE A 8 -25.158 13.441 -32.085 1.00 64.43 H new ATOM 0 HG22 ILE A 8 -24.751 15.173 -32.075 1.00 64.43 H new ATOM 0 HG23 ILE A 8 -23.820 14.035 -31.074 1.00 64.43 H new ATOM 0 HD11 ILE A 8 -26.545 11.149 -29.627 1.00 31.02 H new ATOM 0 HD12 ILE A 8 -27.420 12.247 -30.720 1.00 31.02 H new ATOM 0 HD13 ILE A 8 -25.738 11.790 -31.078 1.00 31.02 H new ATOM 148 N ARG A 9 -24.131 15.213 -27.325 1.00 43.53 N ATOM 149 CA ARG A 9 -22.984 14.858 -26.479 1.00 75.43 C ATOM 150 C ARG A 9 -23.247 13.558 -25.707 1.00 64.54 C ATOM 151 O ARG A 9 -24.383 13.263 -25.331 1.00 55.20 O ATOM 152 CB ARG A 9 -22.664 15.995 -25.499 1.00 15.44 C ATOM 153 CG ARG A 9 -22.341 17.321 -26.181 1.00 71.21 C ATOM 154 CD ARG A 9 -22.003 18.411 -25.171 1.00 5.10 C ATOM 155 NE ARG A 9 -23.063 18.580 -24.174 1.00 75.30 N ATOM 156 CZ ARG A 9 -23.104 19.545 -23.299 1.00 72.03 C ATOM 157 NH1 ARG A 9 -22.194 20.467 -23.283 1.00 35.42 N ATOM 158 NH2 ARG A 9 -24.068 19.589 -22.442 1.00 3.35 N ATOM 0 H ARG A 9 -24.989 15.406 -26.808 1.00 43.53 H new ATOM 0 HA ARG A 9 -22.125 14.702 -27.132 1.00 75.43 H new ATOM 0 HB2 ARG A 9 -23.514 16.138 -24.832 1.00 15.44 H new ATOM 0 HB3 ARG A 9 -21.818 15.700 -24.878 1.00 15.44 H new ATOM 0 HG2 ARG A 9 -21.501 17.184 -26.862 1.00 71.21 H new ATOM 0 HG3 ARG A 9 -23.192 17.636 -26.784 1.00 71.21 H new ATOM 0 HD2 ARG A 9 -21.068 18.163 -24.668 1.00 5.10 H new ATOM 0 HD3 ARG A 9 -21.843 19.354 -25.694 1.00 5.10 H new ATOM 0 HE ARG A 9 -23.820 17.896 -24.164 1.00 75.30 H new ATOM 0 HH11 ARG A 9 -21.432 20.444 -23.961 1.00 35.42 H new ATOM 0 HH12 ARG A 9 -22.239 21.216 -22.592 1.00 35.42 H new ATOM 0 HH21 ARG A 9 -24.792 18.871 -22.452 1.00 3.35 H new ATOM 0 HH22 ARG A 9 -24.105 20.342 -21.755 1.00 3.35 H new ATOM 172 N THR A 10 -22.192 12.787 -25.470 1.00 75.32 N ATOM 173 CA THR A 10 -22.311 11.487 -24.793 1.00 45.02 C ATOM 174 C THR A 10 -21.888 11.555 -23.318 1.00 20.02 C ATOM 175 O THR A 10 -21.491 12.606 -22.811 1.00 53.13 O ATOM 176 CB THR A 10 -21.458 10.407 -25.500 1.00 54.15 C ATOM 177 OG1 THR A 10 -21.613 9.138 -24.844 1.00 52.12 O ATOM 178 CG2 THR A 10 -19.984 10.796 -25.511 1.00 62.11 C ATOM 0 H THR A 10 -21.239 13.035 -25.735 1.00 75.32 H new ATOM 0 HA THR A 10 -23.366 11.219 -24.843 1.00 45.02 H new ATOM 0 HB THR A 10 -21.807 10.327 -26.529 1.00 54.15 H new ATOM 0 HG1 THR A 10 -21.069 8.464 -25.303 1.00 52.12 H new ATOM 0 HG21 THR A 10 -19.407 10.020 -26.014 1.00 62.11 H new ATOM 0 HG22 THR A 10 -19.861 11.741 -26.041 1.00 62.11 H new ATOM 0 HG23 THR A 10 -19.629 10.906 -24.486 1.00 62.11 H new ATOM 186 N ARG A 11 -21.976 10.414 -22.637 1.00 12.04 N ATOM 187 CA ARG A 11 -21.563 10.300 -21.236 1.00 12.43 C ATOM 188 C ARG A 11 -20.037 10.170 -21.127 1.00 51.33 C ATOM 189 O ARG A 11 -19.425 10.636 -20.165 1.00 35.44 O ATOM 190 CB ARG A 11 -22.237 9.075 -20.598 1.00 12.52 C ATOM 191 CG ARG A 11 -22.043 8.953 -19.086 1.00 61.15 C ATOM 192 CD ARG A 11 -22.745 10.077 -18.331 1.00 12.31 C ATOM 193 NE ARG A 11 -24.169 10.151 -18.664 1.00 63.33 N ATOM 194 CZ ARG A 11 -25.082 10.652 -17.878 1.00 12.21 C ATOM 195 NH1 ARG A 11 -24.777 11.077 -16.696 1.00 30.43 N ATOM 196 NH2 ARG A 11 -26.308 10.731 -18.281 1.00 40.03 N ATOM 0 H ARG A 11 -22.333 9.546 -23.036 1.00 12.04 H new ATOM 0 HA ARG A 11 -21.870 11.203 -20.708 1.00 12.43 H new ATOM 0 HB2 ARG A 11 -23.305 9.113 -20.811 1.00 12.52 H new ATOM 0 HB3 ARG A 11 -21.849 8.175 -21.074 1.00 12.52 H new ATOM 0 HG2 ARG A 11 -22.428 7.992 -18.747 1.00 61.15 H new ATOM 0 HG3 ARG A 11 -20.978 8.969 -18.854 1.00 61.15 H new ATOM 0 HD2 ARG A 11 -22.630 9.921 -17.258 1.00 12.31 H new ATOM 0 HD3 ARG A 11 -22.267 11.027 -18.568 1.00 12.31 H new ATOM 0 HE ARG A 11 -24.467 9.787 -19.569 1.00 63.33 H new ATOM 0 HH11 ARG A 11 -23.813 11.023 -16.368 1.00 30.43 H new ATOM 0 HH12 ARG A 11 -25.501 11.466 -16.092 1.00 30.43 H new ATOM 0 HH21 ARG A 11 -26.561 10.402 -19.213 1.00 40.03 H new ATOM 0 HH22 ARG A 11 -27.022 11.123 -17.667 1.00 40.03 H new ATOM 210 N GLY A 12 -19.431 9.540 -22.133 1.00 52.41 N ATOM 211 CA GLY A 12 -17.995 9.291 -22.115 1.00 32.52 C ATOM 212 C GLY A 12 -17.644 7.962 -21.455 1.00 52.13 C ATOM 213 O GLY A 12 -16.660 7.862 -20.717 1.00 60.33 O ATOM 0 H GLY A 12 -19.911 9.196 -22.965 1.00 52.41 H new ATOM 0 HA2 GLY A 12 -17.615 9.298 -23.137 1.00 32.52 H new ATOM 0 HA3 GLY A 12 -17.495 10.101 -21.583 1.00 32.52 H new ATOM 217 N GLY A 13 -18.451 6.940 -21.728 1.00 13.30 N ATOM 218 CA GLY A 13 -18.270 5.632 -21.107 1.00 53.20 C ATOM 219 C GLY A 13 -17.063 4.862 -21.639 1.00 11.14 C ATOM 220 O GLY A 13 -16.820 4.817 -22.848 1.00 15.11 O ATOM 0 H GLY A 13 -19.237 6.993 -22.376 1.00 13.30 H new ATOM 0 HA2 GLY A 13 -18.161 5.763 -20.030 1.00 53.20 H new ATOM 0 HA3 GLY A 13 -19.169 5.036 -21.266 1.00 53.20 H new ATOM 224 N ASN A 14 -16.314 4.238 -20.733 1.00 42.33 N ATOM 225 CA ASN A 14 -15.134 3.451 -21.101 1.00 1.02 C ATOM 226 C ASN A 14 -14.922 2.290 -20.117 1.00 34.41 C ATOM 227 O ASN A 14 -14.825 2.499 -18.906 1.00 61.25 O ATOM 228 CB ASN A 14 -13.887 4.344 -21.139 1.00 33.33 C ATOM 229 CG ASN A 14 -12.636 3.576 -21.531 1.00 73.04 C ATOM 230 OD1 ASN A 14 -11.927 3.041 -20.685 1.00 11.12 O ATOM 231 ND2 ASN A 14 -12.355 3.510 -22.817 1.00 41.14 N ATOM 0 H ASN A 14 -16.503 4.261 -19.731 1.00 42.33 H new ATOM 0 HA ASN A 14 -15.301 3.034 -22.094 1.00 1.02 H new ATOM 0 HB2 ASN A 14 -14.047 5.157 -21.847 1.00 33.33 H new ATOM 0 HB3 ASN A 14 -13.739 4.798 -20.159 1.00 33.33 H new ATOM 0 HD21 ASN A 14 -11.528 3.003 -23.133 1.00 41.14 H new ATOM 0 HD22 ASN A 14 -12.965 3.966 -23.496 1.00 41.14 H new ATOM 238 N THR A 15 -14.858 1.070 -20.642 1.00 14.21 N ATOM 239 CA THR A 15 -14.644 -0.121 -19.809 1.00 44.12 C ATOM 240 C THR A 15 -13.159 -0.316 -19.481 1.00 71.41 C ATOM 241 O THR A 15 -12.328 -0.443 -20.381 1.00 63.25 O ATOM 242 CB THR A 15 -15.180 -1.397 -20.501 1.00 50.34 C ATOM 243 OG1 THR A 15 -16.574 -1.241 -20.799 1.00 65.31 O ATOM 244 CG2 THR A 15 -14.983 -2.639 -19.631 1.00 53.41 C ATOM 0 H THR A 15 -14.951 0.875 -21.639 1.00 14.21 H new ATOM 0 HA THR A 15 -15.195 0.042 -18.883 1.00 44.12 H new ATOM 0 HB THR A 15 -14.614 -1.535 -21.422 1.00 50.34 H new ATOM 0 HG1 THR A 15 -16.907 -2.051 -21.238 1.00 65.31 H new ATOM 0 HG21 THR A 15 -15.372 -3.514 -20.152 1.00 53.41 H new ATOM 0 HG22 THR A 15 -13.921 -2.779 -19.431 1.00 53.41 H new ATOM 0 HG23 THR A 15 -15.516 -2.511 -18.689 1.00 53.41 H new ATOM 252 N LYS A 16 -12.827 -0.332 -18.191 1.00 52.04 N ATOM 253 CA LYS A 16 -11.441 -0.547 -17.753 1.00 63.03 C ATOM 254 C LYS A 16 -11.158 -2.041 -17.510 1.00 54.34 C ATOM 255 O LYS A 16 -12.079 -2.862 -17.486 1.00 71.25 O ATOM 256 CB LYS A 16 -11.150 0.272 -16.485 1.00 10.54 C ATOM 257 CG LYS A 16 -11.434 1.767 -16.645 1.00 63.55 C ATOM 258 CD LYS A 16 -10.999 2.570 -15.423 1.00 40.23 C ATOM 259 CE LYS A 16 -9.486 2.552 -15.243 1.00 53.40 C ATOM 260 NZ LYS A 16 -9.053 3.368 -14.079 1.00 22.32 N ATOM 0 H LYS A 16 -13.493 -0.200 -17.430 1.00 52.04 H new ATOM 0 HA LYS A 16 -10.778 -0.208 -18.549 1.00 63.03 H new ATOM 0 HB2 LYS A 16 -11.752 -0.118 -15.664 1.00 10.54 H new ATOM 0 HB3 LYS A 16 -10.105 0.137 -16.207 1.00 10.54 H new ATOM 0 HG2 LYS A 16 -10.915 2.141 -17.527 1.00 63.55 H new ATOM 0 HG3 LYS A 16 -12.500 1.916 -16.815 1.00 63.55 H new ATOM 0 HD2 LYS A 16 -11.341 3.600 -15.525 1.00 40.23 H new ATOM 0 HD3 LYS A 16 -11.476 2.162 -14.532 1.00 40.23 H new ATOM 0 HE2 LYS A 16 -9.149 1.524 -15.110 1.00 53.40 H new ATOM 0 HE3 LYS A 16 -9.009 2.929 -16.148 1.00 53.40 H new ATOM 0 HZ1 LYS A 16 -8.017 3.328 -13.993 1.00 22.32 H new ATOM 0 HZ2 LYS A 16 -9.351 4.355 -14.217 1.00 22.32 H new ATOM 0 HZ3 LYS A 16 -9.487 2.993 -13.211 1.00 22.32 H new ATOM 274 N VAL A 17 -9.882 -2.384 -17.326 1.00 42.30 N ATOM 275 CA VAL A 17 -9.455 -3.786 -17.185 1.00 41.31 C ATOM 276 C VAL A 17 -8.809 -4.052 -15.805 1.00 24.33 C ATOM 277 O VAL A 17 -8.461 -3.119 -15.080 1.00 12.31 O ATOM 278 CB VAL A 17 -8.465 -4.160 -18.328 1.00 72.11 C ATOM 279 CG1 VAL A 17 -7.201 -3.310 -18.251 1.00 32.40 C ATOM 280 CG2 VAL A 17 -8.127 -5.656 -18.323 1.00 23.01 C ATOM 0 H VAL A 17 -9.119 -1.709 -17.270 1.00 42.30 H new ATOM 0 HA VAL A 17 -10.343 -4.414 -17.258 1.00 41.31 H new ATOM 0 HB VAL A 17 -8.962 -3.946 -19.274 1.00 72.11 H new ATOM 0 HG11 VAL A 17 -6.525 -3.589 -19.059 1.00 32.40 H new ATOM 0 HG12 VAL A 17 -7.465 -2.257 -18.346 1.00 32.40 H new ATOM 0 HG13 VAL A 17 -6.709 -3.476 -17.293 1.00 32.40 H new ATOM 0 HG21 VAL A 17 -7.434 -5.875 -19.135 1.00 23.01 H new ATOM 0 HG22 VAL A 17 -7.666 -5.922 -17.372 1.00 23.01 H new ATOM 0 HG23 VAL A 17 -9.040 -6.236 -18.459 1.00 23.01 H new ATOM 290 N ARG A 18 -8.668 -5.336 -15.449 1.00 13.14 N ATOM 291 CA ARG A 18 -8.077 -5.746 -14.164 1.00 33.33 C ATOM 292 C ARG A 18 -6.622 -5.251 -14.009 1.00 62.51 C ATOM 293 O ARG A 18 -6.006 -4.764 -14.963 1.00 62.33 O ATOM 294 CB ARG A 18 -8.117 -7.281 -14.029 1.00 41.22 C ATOM 295 CG ARG A 18 -9.497 -7.891 -14.261 1.00 1.32 C ATOM 296 CD ARG A 18 -9.482 -9.422 -14.186 1.00 33.50 C ATOM 297 NE ARG A 18 -9.288 -9.926 -12.822 1.00 41.33 N ATOM 298 CZ ARG A 18 -8.975 -11.167 -12.533 1.00 22.25 C ATOM 299 NH1 ARG A 18 -8.797 -12.039 -13.473 1.00 24.22 N ATOM 300 NH2 ARG A 18 -8.861 -11.535 -11.297 1.00 20.43 N ATOM 0 H ARG A 18 -8.958 -6.117 -16.038 1.00 13.14 H new ATOM 0 HA ARG A 18 -8.671 -5.288 -13.373 1.00 33.33 H new ATOM 0 HB2 ARG A 18 -7.415 -7.716 -14.740 1.00 41.22 H new ATOM 0 HB3 ARG A 18 -7.773 -7.557 -13.032 1.00 41.22 H new ATOM 0 HG2 ARG A 18 -10.193 -7.501 -13.518 1.00 1.32 H new ATOM 0 HG3 ARG A 18 -9.868 -7.582 -15.238 1.00 1.32 H new ATOM 0 HD2 ARG A 18 -10.422 -9.809 -14.580 1.00 33.50 H new ATOM 0 HD3 ARG A 18 -8.686 -9.804 -14.825 1.00 33.50 H new ATOM 0 HE ARG A 18 -9.404 -9.270 -12.049 1.00 41.33 H new ATOM 0 HH11 ARG A 18 -8.900 -11.764 -14.450 1.00 24.22 H new ATOM 0 HH12 ARG A 18 -8.554 -13.001 -13.237 1.00 24.22 H new ATOM 0 HH21 ARG A 18 -9.015 -10.860 -10.548 1.00 20.43 H new ATOM 0 HH22 ARG A 18 -8.618 -12.500 -11.072 1.00 20.43 H new ATOM 314 N LEU A 19 -6.068 -5.413 -12.803 1.00 11.33 N ATOM 315 CA LEU A 19 -4.708 -4.936 -12.488 1.00 0.35 C ATOM 316 C LEU A 19 -3.627 -5.551 -13.402 1.00 32.03 C ATOM 317 O LEU A 19 -2.477 -5.117 -13.379 1.00 34.22 O ATOM 318 CB LEU A 19 -4.347 -5.191 -11.009 1.00 15.13 C ATOM 319 CG LEU A 19 -4.162 -6.664 -10.583 1.00 11.32 C ATOM 320 CD1 LEU A 19 -3.462 -6.749 -9.226 1.00 64.54 C ATOM 321 CD2 LEU A 19 -5.502 -7.395 -10.532 1.00 13.00 C ATOM 0 H LEU A 19 -6.539 -5.872 -12.023 1.00 11.33 H new ATOM 0 HA LEU A 19 -4.723 -3.862 -12.673 1.00 0.35 H new ATOM 0 HB2 LEU A 19 -3.425 -4.654 -10.787 1.00 15.13 H new ATOM 0 HB3 LEU A 19 -5.128 -4.753 -10.388 1.00 15.13 H new ATOM 0 HG LEU A 19 -3.536 -7.151 -11.331 1.00 11.32 H new ATOM 0 HD11 LEU A 19 -3.341 -7.795 -8.944 1.00 64.54 H new ATOM 0 HD12 LEU A 19 -2.482 -6.275 -9.292 1.00 64.54 H new ATOM 0 HD13 LEU A 19 -4.063 -6.237 -8.474 1.00 64.54 H new ATOM 0 HD21 LEU A 19 -5.341 -8.430 -10.229 1.00 13.00 H new ATOM 0 HD22 LEU A 19 -6.157 -6.904 -9.812 1.00 13.00 H new ATOM 0 HD23 LEU A 19 -5.966 -7.374 -11.518 1.00 13.00 H new ATOM 333 N ALA A 20 -3.997 -6.554 -14.201 1.00 63.11 N ATOM 334 CA ALA A 20 -3.080 -7.153 -15.184 1.00 64.43 C ATOM 335 C ALA A 20 -2.460 -6.097 -16.117 1.00 11.12 C ATOM 336 O ALA A 20 -1.395 -6.316 -16.701 1.00 63.35 O ATOM 337 CB ALA A 20 -3.819 -8.200 -16.009 1.00 23.02 C ATOM 0 H ALA A 20 -4.927 -6.972 -14.189 1.00 63.11 H new ATOM 0 HA ALA A 20 -2.266 -7.622 -14.631 1.00 64.43 H new ATOM 0 HB1 ALA A 20 -3.135 -8.640 -16.735 1.00 23.02 H new ATOM 0 HB2 ALA A 20 -4.200 -8.980 -15.350 1.00 23.02 H new ATOM 0 HB3 ALA A 20 -4.651 -7.730 -16.533 1.00 23.02 H new ATOM 343 N SER A 21 -3.145 -4.964 -16.268 1.00 35.41 N ATOM 344 CA SER A 21 -2.650 -3.855 -17.106 1.00 70.32 C ATOM 345 C SER A 21 -2.183 -2.662 -16.261 1.00 5.11 C ATOM 346 O SER A 21 -1.199 -1.997 -16.595 1.00 74.22 O ATOM 347 CB SER A 21 -3.748 -3.391 -18.072 1.00 62.14 C ATOM 348 OG SER A 21 -3.306 -2.316 -18.896 1.00 71.33 O ATOM 0 H SER A 21 -4.045 -4.783 -15.824 1.00 35.41 H new ATOM 0 HA SER A 21 -1.794 -4.231 -17.666 1.00 70.32 H new ATOM 0 HB2 SER A 21 -4.058 -4.227 -18.699 1.00 62.14 H new ATOM 0 HB3 SER A 21 -4.624 -3.078 -17.504 1.00 62.14 H new ATOM 0 HG SER A 21 -4.030 -2.047 -19.499 1.00 71.33 H new ATOM 354 N ASP A 22 -2.893 -2.394 -15.166 1.00 71.22 N ATOM 355 CA ASP A 22 -2.617 -1.227 -14.319 1.00 31.14 C ATOM 356 C ASP A 22 -2.661 -1.593 -12.824 1.00 45.23 C ATOM 357 O ASP A 22 -3.707 -1.976 -12.295 1.00 54.20 O ATOM 358 CB ASP A 22 -3.634 -0.121 -14.628 1.00 51.12 C ATOM 359 CG ASP A 22 -3.445 1.108 -13.756 1.00 1.41 C ATOM 360 OD1 ASP A 22 -2.489 1.869 -13.995 1.00 53.43 O ATOM 361 OD2 ASP A 22 -4.266 1.327 -12.838 1.00 71.42 O ATOM 0 H ASP A 22 -3.669 -2.971 -14.841 1.00 71.22 H new ATOM 0 HA ASP A 22 -1.611 -0.871 -14.539 1.00 31.14 H new ATOM 0 HB2 ASP A 22 -3.547 0.165 -15.676 1.00 51.12 H new ATOM 0 HB3 ASP A 22 -4.642 -0.510 -14.487 1.00 51.12 H new ATOM 366 N THR A 23 -1.521 -1.464 -12.145 1.00 32.33 N ATOM 367 CA THR A 23 -1.422 -1.793 -10.714 1.00 63.31 C ATOM 368 C THR A 23 -1.242 -0.537 -9.847 1.00 32.14 C ATOM 369 O THR A 23 -0.197 0.115 -9.879 1.00 20.10 O ATOM 370 CB THR A 23 -0.231 -2.746 -10.446 1.00 62.44 C ATOM 371 OG1 THR A 23 0.963 -2.209 -11.039 1.00 75.33 O ATOM 372 CG2 THR A 23 -0.498 -4.142 -11.003 1.00 43.41 C ATOM 0 H THR A 23 -0.649 -1.134 -12.559 1.00 32.33 H new ATOM 0 HA THR A 23 -2.359 -2.280 -10.445 1.00 63.31 H new ATOM 0 HB THR A 23 -0.103 -2.831 -9.367 1.00 62.44 H new ATOM 0 HG1 THR A 23 1.743 -2.495 -10.520 1.00 75.33 H new ATOM 0 HG21 THR A 23 0.358 -4.785 -10.798 1.00 43.41 H new ATOM 0 HG22 THR A 23 -1.387 -4.559 -10.530 1.00 43.41 H new ATOM 0 HG23 THR A 23 -0.655 -4.080 -12.080 1.00 43.41 H new ATOM 380 N ARG A 24 -2.259 -0.225 -9.045 1.00 62.41 N ATOM 381 CA ARG A 24 -2.214 0.916 -8.117 1.00 5.03 C ATOM 382 C ARG A 24 -2.965 0.599 -6.813 1.00 40.43 C ATOM 383 O ARG A 24 -3.854 -0.251 -6.785 1.00 31.32 O ATOM 384 CB ARG A 24 -2.793 2.183 -8.777 1.00 2.01 C ATOM 385 CG ARG A 24 -1.831 2.864 -9.755 1.00 22.02 C ATOM 386 CD ARG A 24 -2.459 4.078 -10.435 1.00 24.13 C ATOM 387 NE ARG A 24 -3.452 3.688 -11.434 1.00 62.32 N ATOM 388 CZ ARG A 24 -4.303 4.503 -11.996 1.00 34.23 C ATOM 389 NH1 ARG A 24 -4.370 5.748 -11.643 1.00 34.34 N ATOM 390 NH2 ARG A 24 -5.093 4.061 -12.913 1.00 13.43 N ATOM 0 H ARG A 24 -3.134 -0.749 -9.016 1.00 62.41 H new ATOM 0 HA ARG A 24 -1.169 1.103 -7.871 1.00 5.03 H new ATOM 0 HB2 ARG A 24 -3.709 1.920 -9.306 1.00 2.01 H new ATOM 0 HB3 ARG A 24 -3.068 2.894 -7.998 1.00 2.01 H new ATOM 0 HG2 ARG A 24 -0.933 3.174 -9.221 1.00 22.02 H new ATOM 0 HG3 ARG A 24 -1.519 2.146 -10.514 1.00 22.02 H new ATOM 0 HD2 ARG A 24 -2.929 4.712 -9.684 1.00 24.13 H new ATOM 0 HD3 ARG A 24 -1.679 4.672 -10.911 1.00 24.13 H new ATOM 0 HE ARG A 24 -3.482 2.707 -11.712 1.00 62.32 H new ATOM 0 HH11 ARG A 24 -3.752 6.106 -10.915 1.00 34.34 H new ATOM 0 HH12 ARG A 24 -5.041 6.370 -12.093 1.00 34.34 H new ATOM 0 HH21 ARG A 24 -5.050 3.081 -13.194 1.00 13.43 H new ATOM 0 HH22 ARG A 24 -5.761 4.691 -13.358 1.00 13.43 H new ATOM 404 N ILE A 25 -2.599 1.289 -5.734 1.00 52.32 N ATOM 405 CA ILE A 25 -3.191 1.039 -4.413 1.00 3.33 C ATOM 406 C ILE A 25 -3.318 2.337 -3.596 1.00 2.01 C ATOM 407 O ILE A 25 -2.486 3.240 -3.712 1.00 34.23 O ATOM 408 CB ILE A 25 -2.342 0.009 -3.616 1.00 14.45 C ATOM 409 CG1 ILE A 25 -2.957 -0.265 -2.231 1.00 34.32 C ATOM 410 CG2 ILE A 25 -0.895 0.489 -3.483 1.00 45.51 C ATOM 411 CD1 ILE A 25 -2.227 -1.328 -1.437 1.00 34.30 C ATOM 0 H ILE A 25 -1.895 2.027 -5.745 1.00 52.32 H new ATOM 0 HA ILE A 25 -4.189 0.635 -4.579 1.00 3.33 H new ATOM 0 HB ILE A 25 -2.342 -0.928 -4.172 1.00 14.45 H new ATOM 0 HG12 ILE A 25 -2.965 0.662 -1.658 1.00 34.32 H new ATOM 0 HG13 ILE A 25 -3.996 -0.570 -2.359 1.00 34.32 H new ATOM 0 HG21 ILE A 25 -0.318 -0.246 -2.922 1.00 45.51 H new ATOM 0 HG22 ILE A 25 -0.460 0.612 -4.475 1.00 45.51 H new ATOM 0 HG23 ILE A 25 -0.875 1.444 -2.957 1.00 45.51 H new ATOM 0 HD11 ILE A 25 -2.719 -1.465 -0.474 1.00 34.30 H new ATOM 0 HD12 ILE A 25 -2.241 -2.268 -1.988 1.00 34.30 H new ATOM 0 HD13 ILE A 25 -1.195 -1.017 -1.276 1.00 34.30 H new ATOM 423 N ASN A 26 -4.372 2.433 -2.788 1.00 1.32 N ATOM 424 CA ASN A 26 -4.546 3.567 -1.872 1.00 21.22 C ATOM 425 C ASN A 26 -3.695 3.374 -0.610 1.00 40.35 C ATOM 426 O ASN A 26 -4.028 2.581 0.276 1.00 63.41 O ATOM 427 CB ASN A 26 -6.026 3.741 -1.504 1.00 73.23 C ATOM 428 CG ASN A 26 -6.873 4.250 -2.661 1.00 21.03 C ATOM 429 OD1 ASN A 26 -7.868 4.935 -2.456 1.00 41.22 O ATOM 430 ND2 ASN A 26 -6.498 3.925 -3.886 1.00 0.45 N ATOM 0 H ASN A 26 -5.120 1.741 -2.746 1.00 1.32 H new ATOM 0 HA ASN A 26 -4.210 4.472 -2.378 1.00 21.22 H new ATOM 0 HB2 ASN A 26 -6.424 2.785 -1.163 1.00 73.23 H new ATOM 0 HB3 ASN A 26 -6.107 4.436 -0.669 1.00 73.23 H new ATOM 0 HD21 ASN A 26 -7.041 4.246 -4.688 1.00 0.45 H new ATOM 0 HD22 ASN A 26 -5.665 3.353 -4.030 1.00 0.45 H new ATOM 437 N VAL A 27 -2.591 4.100 -0.553 1.00 1.13 N ATOM 438 CA VAL A 27 -1.621 3.975 0.528 1.00 74.03 C ATOM 439 C VAL A 27 -1.857 5.016 1.634 1.00 30.51 C ATOM 440 O VAL A 27 -1.820 6.222 1.391 1.00 34.34 O ATOM 441 CB VAL A 27 -0.188 4.141 -0.023 1.00 62.14 C ATOM 442 CG1 VAL A 27 0.842 3.837 1.053 1.00 72.41 C ATOM 443 CG2 VAL A 27 0.024 3.262 -1.251 1.00 62.42 C ATOM 0 H VAL A 27 -2.339 4.795 -1.256 1.00 1.13 H new ATOM 0 HA VAL A 27 -1.745 2.982 0.960 1.00 74.03 H new ATOM 0 HB VAL A 27 -0.057 5.179 -0.328 1.00 62.14 H new ATOM 0 HG11 VAL A 27 1.844 3.960 0.643 1.00 72.41 H new ATOM 0 HG12 VAL A 27 0.706 4.521 1.890 1.00 72.41 H new ATOM 0 HG13 VAL A 27 0.715 2.811 1.399 1.00 72.41 H new ATOM 0 HG21 VAL A 27 1.040 3.395 -1.623 1.00 62.42 H new ATOM 0 HG22 VAL A 27 -0.130 2.217 -0.982 1.00 62.42 H new ATOM 0 HG23 VAL A 27 -0.686 3.545 -2.028 1.00 62.42 H new ATOM 453 N VAL A 28 -2.072 4.543 2.854 1.00 45.13 N ATOM 454 CA VAL A 28 -2.289 5.426 4.001 1.00 11.11 C ATOM 455 C VAL A 28 -0.971 5.677 4.745 1.00 2.32 C ATOM 456 O VAL A 28 -0.400 4.765 5.349 1.00 3.20 O ATOM 457 CB VAL A 28 -3.326 4.825 4.989 1.00 23.24 C ATOM 458 CG1 VAL A 28 -3.592 5.784 6.150 1.00 55.24 C ATOM 459 CG2 VAL A 28 -4.625 4.465 4.262 1.00 64.41 C ATOM 0 H VAL A 28 -2.102 3.549 3.079 1.00 45.13 H new ATOM 0 HA VAL A 28 -2.677 6.369 3.616 1.00 11.11 H new ATOM 0 HB VAL A 28 -2.908 3.907 5.403 1.00 23.24 H new ATOM 0 HG11 VAL A 28 -4.321 5.341 6.828 1.00 55.24 H new ATOM 0 HG12 VAL A 28 -2.663 5.971 6.688 1.00 55.24 H new ATOM 0 HG13 VAL A 28 -3.982 6.725 5.762 1.00 55.24 H new ATOM 0 HG21 VAL A 28 -5.336 4.046 4.974 1.00 64.41 H new ATOM 0 HG22 VAL A 28 -5.049 5.361 3.810 1.00 64.41 H new ATOM 0 HG23 VAL A 28 -4.415 3.731 3.484 1.00 64.41 H new ATOM 469 N ASP A 29 -0.486 6.912 4.690 1.00 55.20 N ATOM 470 CA ASP A 29 0.763 7.283 5.352 1.00 43.00 C ATOM 471 C ASP A 29 0.574 7.386 6.878 1.00 61.31 C ATOM 472 O ASP A 29 -0.199 8.213 7.360 1.00 10.20 O ATOM 473 CB ASP A 29 1.279 8.609 4.786 1.00 13.42 C ATOM 474 CG ASP A 29 2.546 9.070 5.482 1.00 44.43 C ATOM 475 OD1 ASP A 29 3.527 8.302 5.511 1.00 35.14 O ATOM 476 OD2 ASP A 29 2.549 10.187 6.030 1.00 0.40 O ATOM 0 H ASP A 29 -0.940 7.678 4.192 1.00 55.20 H new ATOM 0 HA ASP A 29 1.499 6.503 5.159 1.00 43.00 H new ATOM 0 HB2 ASP A 29 1.472 8.497 3.719 1.00 13.42 H new ATOM 0 HB3 ASP A 29 0.509 9.373 4.892 1.00 13.42 H new ATOM 481 N PRO A 30 1.286 6.555 7.663 1.00 31.24 N ATOM 482 CA PRO A 30 1.153 6.542 9.127 1.00 31.31 C ATOM 483 C PRO A 30 1.876 7.717 9.810 1.00 41.13 C ATOM 484 O PRO A 30 1.676 7.975 10.999 1.00 51.33 O ATOM 485 CB PRO A 30 1.798 5.203 9.508 1.00 12.03 C ATOM 486 CG PRO A 30 2.841 4.991 8.465 1.00 63.02 C ATOM 487 CD PRO A 30 2.274 5.563 7.190 1.00 71.15 C ATOM 0 HA PRO A 30 0.117 6.648 9.448 1.00 31.31 H new ATOM 0 HB2 PRO A 30 2.234 5.241 10.506 1.00 12.03 H new ATOM 0 HB3 PRO A 30 1.067 4.395 9.510 1.00 12.03 H new ATOM 0 HG2 PRO A 30 3.772 5.489 8.737 1.00 63.02 H new ATOM 0 HG3 PRO A 30 3.069 3.931 8.350 1.00 63.02 H new ATOM 0 HD2 PRO A 30 3.048 6.028 6.580 1.00 71.15 H new ATOM 0 HD3 PRO A 30 1.806 4.792 6.578 1.00 71.15 H new ATOM 495 N GLU A 31 2.717 8.426 9.059 1.00 44.24 N ATOM 496 CA GLU A 31 3.481 9.555 9.607 1.00 3.53 C ATOM 497 C GLU A 31 2.641 10.846 9.660 1.00 61.24 C ATOM 498 O GLU A 31 2.644 11.561 10.665 1.00 11.50 O ATOM 499 CB GLU A 31 4.744 9.780 8.761 1.00 13.25 C ATOM 500 CG GLU A 31 5.670 8.565 8.698 1.00 60.10 C ATOM 501 CD GLU A 31 6.326 8.247 10.034 1.00 13.34 C ATOM 502 OE1 GLU A 31 5.723 7.517 10.849 1.00 63.34 O ATOM 503 OE2 GLU A 31 7.449 8.733 10.277 1.00 14.31 O ATOM 0 H GLU A 31 2.889 8.242 8.071 1.00 44.24 H new ATOM 0 HA GLU A 31 3.761 9.307 10.631 1.00 3.53 H new ATOM 0 HB2 GLU A 31 4.448 10.052 7.748 1.00 13.25 H new ATOM 0 HB3 GLU A 31 5.297 10.626 9.169 1.00 13.25 H new ATOM 0 HG2 GLU A 31 5.100 7.698 8.364 1.00 60.10 H new ATOM 0 HG3 GLU A 31 6.445 8.744 7.953 1.00 60.10 H new ATOM 510 N THR A 32 1.913 11.135 8.584 1.00 12.32 N ATOM 511 CA THR A 32 1.061 12.337 8.517 1.00 54.12 C ATOM 512 C THR A 32 -0.429 11.985 8.616 1.00 32.31 C ATOM 513 O THR A 32 -1.227 12.769 9.132 1.00 40.51 O ATOM 514 CB THR A 32 1.289 13.138 7.211 1.00 61.51 C ATOM 515 OG1 THR A 32 0.818 12.391 6.075 1.00 34.03 O ATOM 516 CG2 THR A 32 2.767 13.474 7.022 1.00 32.43 C ATOM 0 H THR A 32 1.891 10.558 7.743 1.00 12.32 H new ATOM 0 HA THR A 32 1.348 12.951 9.371 1.00 54.12 H new ATOM 0 HB THR A 32 0.727 14.068 7.291 1.00 61.51 H new ATOM 0 HG1 THR A 32 1.364 11.585 5.964 1.00 34.03 H new ATOM 0 HG21 THR A 32 2.897 14.036 6.097 1.00 32.43 H new ATOM 0 HG22 THR A 32 3.114 14.074 7.863 1.00 32.43 H new ATOM 0 HG23 THR A 32 3.346 12.552 6.970 1.00 32.43 H new ATOM 524 N GLY A 33 -0.795 10.805 8.120 1.00 71.51 N ATOM 525 CA GLY A 33 -2.187 10.359 8.167 1.00 45.45 C ATOM 526 C GLY A 33 -2.960 10.621 6.877 1.00 22.23 C ATOM 527 O GLY A 33 -4.191 10.588 6.871 1.00 5.54 O ATOM 0 H GLY A 33 -0.153 10.144 7.684 1.00 71.51 H new ATOM 0 HA2 GLY A 33 -2.210 9.291 8.383 1.00 45.45 H new ATOM 0 HA3 GLY A 33 -2.693 10.862 8.991 1.00 45.45 H new ATOM 531 N LYS A 34 -2.247 10.879 5.780 1.00 54.35 N ATOM 532 CA LYS A 34 -2.894 11.135 4.486 1.00 43.53 C ATOM 533 C LYS A 34 -3.163 9.831 3.713 1.00 74.33 C ATOM 534 O LYS A 34 -2.433 8.849 3.855 1.00 11.51 O ATOM 535 CB LYS A 34 -2.036 12.069 3.617 1.00 13.32 C ATOM 536 CG LYS A 34 -0.725 11.455 3.129 1.00 71.24 C ATOM 537 CD LYS A 34 -0.074 12.319 2.047 1.00 2.10 C ATOM 538 CE LYS A 34 1.164 11.654 1.451 1.00 13.41 C ATOM 539 NZ LYS A 34 1.694 12.405 0.281 1.00 14.12 N ATOM 0 H LYS A 34 -1.228 10.917 5.758 1.00 54.35 H new ATOM 0 HA LYS A 34 -3.849 11.614 4.702 1.00 43.53 H new ATOM 0 HB2 LYS A 34 -2.622 12.379 2.751 1.00 13.32 H new ATOM 0 HB3 LYS A 34 -1.810 12.970 4.188 1.00 13.32 H new ATOM 0 HG2 LYS A 34 -0.039 11.342 3.969 1.00 71.24 H new ATOM 0 HG3 LYS A 34 -0.913 10.456 2.735 1.00 71.24 H new ATOM 0 HD2 LYS A 34 -0.797 12.514 1.255 1.00 2.10 H new ATOM 0 HD3 LYS A 34 0.202 13.284 2.471 1.00 2.10 H new ATOM 0 HE2 LYS A 34 1.938 11.580 2.215 1.00 13.41 H new ATOM 0 HE3 LYS A 34 0.918 10.637 1.147 1.00 13.41 H new ATOM 0 HZ1 LYS A 34 2.708 12.203 0.170 1.00 14.12 H new ATOM 0 HZ2 LYS A 34 1.186 12.112 -0.578 1.00 14.12 H new ATOM 0 HZ3 LYS A 34 1.558 13.425 0.433 1.00 14.12 H new ATOM 553 N VAL A 35 -4.213 9.833 2.890 1.00 44.41 N ATOM 554 CA VAL A 35 -4.515 8.693 2.017 1.00 63.11 C ATOM 555 C VAL A 35 -3.999 8.954 0.594 1.00 12.43 C ATOM 556 O VAL A 35 -4.653 9.610 -0.218 1.00 2.43 O ATOM 557 CB VAL A 35 -6.033 8.380 1.978 1.00 32.43 C ATOM 558 CG1 VAL A 35 -6.318 7.174 1.081 1.00 44.14 C ATOM 559 CG2 VAL A 35 -6.562 8.138 3.389 1.00 2.44 C ATOM 0 H VAL A 35 -4.869 10.610 2.808 1.00 44.41 H new ATOM 0 HA VAL A 35 -4.005 7.824 2.433 1.00 63.11 H new ATOM 0 HB VAL A 35 -6.550 9.243 1.557 1.00 32.43 H new ATOM 0 HG11 VAL A 35 -7.389 6.974 1.070 1.00 44.14 H new ATOM 0 HG12 VAL A 35 -5.978 7.386 0.067 1.00 44.14 H new ATOM 0 HG13 VAL A 35 -5.790 6.301 1.466 1.00 44.14 H new ATOM 0 HG21 VAL A 35 -7.629 7.920 3.345 1.00 2.44 H new ATOM 0 HG22 VAL A 35 -6.037 7.293 3.835 1.00 2.44 H new ATOM 0 HG23 VAL A 35 -6.399 9.028 3.996 1.00 2.44 H new ATOM 569 N GLU A 36 -2.803 8.456 0.321 1.00 21.15 N ATOM 570 CA GLU A 36 -2.136 8.646 -0.971 1.00 52.31 C ATOM 571 C GLU A 36 -2.441 7.472 -1.925 1.00 75.24 C ATOM 572 O GLU A 36 -3.021 6.469 -1.517 1.00 71.42 O ATOM 573 CB GLU A 36 -0.619 8.763 -0.726 1.00 44.40 C ATOM 574 CG GLU A 36 0.201 9.142 -1.953 1.00 31.31 C ATOM 575 CD GLU A 36 -0.195 10.486 -2.539 1.00 33.42 C ATOM 576 OE1 GLU A 36 0.218 11.526 -1.985 1.00 21.11 O ATOM 577 OE2 GLU A 36 -0.914 10.505 -3.561 1.00 53.25 O ATOM 0 H GLU A 36 -2.261 7.906 0.987 1.00 21.15 H new ATOM 0 HA GLU A 36 -2.507 9.556 -1.442 1.00 52.31 H new ATOM 0 HB2 GLU A 36 -0.448 9.507 0.052 1.00 44.40 H new ATOM 0 HB3 GLU A 36 -0.253 7.811 -0.342 1.00 44.40 H new ATOM 0 HG2 GLU A 36 1.257 9.166 -1.684 1.00 31.31 H new ATOM 0 HG3 GLU A 36 0.083 8.371 -2.714 1.00 31.31 H new ATOM 584 N ILE A 37 -2.071 7.606 -3.199 1.00 73.33 N ATOM 585 CA ILE A 37 -2.202 6.500 -4.165 1.00 22.41 C ATOM 586 C ILE A 37 -0.857 6.198 -4.846 1.00 23.14 C ATOM 587 O ILE A 37 -0.237 7.083 -5.432 1.00 33.05 O ATOM 588 CB ILE A 37 -3.277 6.795 -5.247 1.00 13.24 C ATOM 589 CG1 ILE A 37 -4.661 6.969 -4.594 1.00 62.22 C ATOM 590 CG2 ILE A 37 -3.312 5.677 -6.296 1.00 64.41 C ATOM 591 CD1 ILE A 37 -5.791 7.165 -5.584 1.00 33.31 C ATOM 0 H ILE A 37 -1.679 8.463 -3.591 1.00 73.33 H new ATOM 0 HA ILE A 37 -2.521 5.627 -3.596 1.00 22.41 H new ATOM 0 HB ILE A 37 -3.012 7.725 -5.750 1.00 13.24 H new ATOM 0 HG12 ILE A 37 -4.875 6.092 -3.983 1.00 62.22 H new ATOM 0 HG13 ILE A 37 -4.629 7.826 -3.921 1.00 62.22 H new ATOM 0 HG21 ILE A 37 -4.072 5.904 -7.044 1.00 64.41 H new ATOM 0 HG22 ILE A 37 -2.338 5.601 -6.779 1.00 64.41 H new ATOM 0 HG23 ILE A 37 -3.551 4.731 -5.811 1.00 64.41 H new ATOM 0 HD11 ILE A 37 -6.731 7.280 -5.045 1.00 33.31 H new ATOM 0 HD12 ILE A 37 -5.602 8.059 -6.179 1.00 33.31 H new ATOM 0 HD13 ILE A 37 -5.853 6.298 -6.241 1.00 33.31 H new ATOM 603 N ALA A 38 -0.415 4.944 -4.765 1.00 75.34 N ATOM 604 CA ALA A 38 0.884 4.540 -5.318 1.00 52.33 C ATOM 605 C ALA A 38 0.757 3.420 -6.365 1.00 51.20 C ATOM 606 O ALA A 38 -0.261 2.733 -6.442 1.00 0.11 O ATOM 607 CB ALA A 38 1.803 4.095 -4.190 1.00 32.32 C ATOM 0 H ALA A 38 -0.935 4.187 -4.322 1.00 75.34 H new ATOM 0 HA ALA A 38 1.306 5.407 -5.827 1.00 52.33 H new ATOM 0 HB1 ALA A 38 2.767 3.796 -4.602 1.00 32.32 H new ATOM 0 HB2 ALA A 38 1.948 4.919 -3.492 1.00 32.32 H new ATOM 0 HB3 ALA A 38 1.354 3.251 -3.667 1.00 32.32 H new ATOM 613 N GLU A 39 1.813 3.238 -7.157 1.00 51.53 N ATOM 614 CA GLU A 39 1.857 2.191 -8.188 1.00 71.53 C ATOM 615 C GLU A 39 2.496 0.910 -7.632 1.00 62.41 C ATOM 616 O GLU A 39 3.634 0.949 -7.159 1.00 32.30 O ATOM 617 CB GLU A 39 2.704 2.670 -9.380 1.00 2.21 C ATOM 618 CG GLU A 39 2.403 4.093 -9.832 1.00 32.14 C ATOM 619 CD GLU A 39 3.399 4.600 -10.869 1.00 20.15 C ATOM 620 OE1 GLU A 39 4.624 4.507 -10.624 1.00 43.32 O ATOM 621 OE2 GLU A 39 2.967 5.110 -11.924 1.00 44.44 O ATOM 0 H GLU A 39 2.659 3.806 -7.106 1.00 51.53 H new ATOM 0 HA GLU A 39 0.834 1.984 -8.503 1.00 71.53 H new ATOM 0 HB2 GLU A 39 3.758 2.602 -9.112 1.00 2.21 H new ATOM 0 HB3 GLU A 39 2.544 1.993 -10.219 1.00 2.21 H new ATOM 0 HG2 GLU A 39 1.397 4.133 -10.250 1.00 32.14 H new ATOM 0 HG3 GLU A 39 2.415 4.756 -8.967 1.00 32.14 H new ATOM 628 N ILE A 40 1.798 -0.228 -7.689 1.00 53.31 N ATOM 629 CA ILE A 40 2.393 -1.482 -7.200 1.00 11.04 C ATOM 630 C ILE A 40 3.365 -2.055 -8.244 1.00 62.34 C ATOM 631 O ILE A 40 2.956 -2.600 -9.271 1.00 42.11 O ATOM 632 CB ILE A 40 1.307 -2.542 -6.874 1.00 61.05 C ATOM 633 CG1 ILE A 40 0.311 -1.987 -5.843 1.00 64.43 C ATOM 634 CG2 ILE A 40 1.949 -3.838 -6.370 1.00 13.11 C ATOM 635 CD1 ILE A 40 -0.792 -2.958 -5.469 1.00 50.21 C ATOM 0 H ILE A 40 0.850 -0.311 -8.056 1.00 53.31 H new ATOM 0 HA ILE A 40 2.933 -1.249 -6.282 1.00 11.04 H new ATOM 0 HB ILE A 40 0.761 -2.771 -7.789 1.00 61.05 H new ATOM 0 HG12 ILE A 40 0.855 -1.706 -4.941 1.00 64.43 H new ATOM 0 HG13 ILE A 40 -0.139 -1.077 -6.240 1.00 64.43 H new ATOM 0 HG21 ILE A 40 1.170 -4.567 -6.147 1.00 13.11 H new ATOM 0 HG22 ILE A 40 2.612 -4.238 -7.137 1.00 13.11 H new ATOM 0 HG23 ILE A 40 2.523 -3.632 -5.466 1.00 13.11 H new ATOM 0 HD11 ILE A 40 -1.453 -2.493 -4.738 1.00 50.21 H new ATOM 0 HD12 ILE A 40 -1.363 -3.221 -6.360 1.00 50.21 H new ATOM 0 HD13 ILE A 40 -0.354 -3.859 -5.040 1.00 50.21 H new ATOM 647 N ARG A 41 4.652 -1.934 -7.960 1.00 20.22 N ATOM 648 CA ARG A 41 5.705 -2.391 -8.872 1.00 41.31 C ATOM 649 C ARG A 41 6.079 -3.866 -8.650 1.00 1.43 C ATOM 650 O ARG A 41 6.351 -4.598 -9.606 1.00 25.34 O ATOM 651 CB ARG A 41 6.902 -1.438 -8.772 1.00 33.22 C ATOM 652 CG ARG A 41 6.487 -0.009 -9.122 1.00 55.25 C ATOM 653 CD ARG A 41 7.629 0.995 -9.092 1.00 1.44 C ATOM 654 NE ARG A 41 7.150 2.321 -9.488 1.00 74.45 N ATOM 655 CZ ARG A 41 7.913 3.322 -9.824 1.00 43.43 C ATOM 656 NH1 ARG A 41 9.199 3.210 -9.821 1.00 72.42 N ATOM 657 NH2 ARG A 41 7.375 4.444 -10.179 1.00 23.24 N ATOM 0 H ARG A 41 5.002 -1.519 -7.096 1.00 20.22 H new ATOM 0 HA ARG A 41 5.329 -2.359 -9.895 1.00 41.31 H new ATOM 0 HB2 ARG A 41 7.312 -1.466 -7.762 1.00 33.22 H new ATOM 0 HB3 ARG A 41 7.693 -1.768 -9.446 1.00 33.22 H new ATOM 0 HG2 ARG A 41 6.040 -0.005 -10.116 1.00 55.25 H new ATOM 0 HG3 ARG A 41 5.715 0.315 -8.424 1.00 55.25 H new ATOM 0 HD2 ARG A 41 8.057 1.040 -8.091 1.00 1.44 H new ATOM 0 HD3 ARG A 41 8.424 0.672 -9.764 1.00 1.44 H new ATOM 0 HE ARG A 41 6.141 2.472 -9.502 1.00 74.45 H new ATOM 0 HH11 ARG A 41 9.633 2.327 -9.553 1.00 72.42 H new ATOM 0 HH12 ARG A 41 9.781 4.004 -10.087 1.00 72.42 H new ATOM 0 HH21 ARG A 41 6.360 4.540 -10.194 1.00 23.24 H new ATOM 0 HH22 ARG A 41 7.966 5.232 -10.443 1.00 23.24 H new ATOM 671 N ASN A 42 6.080 -4.300 -7.390 1.00 43.34 N ATOM 672 CA ASN A 42 6.287 -5.717 -7.051 1.00 71.54 C ATOM 673 C ASN A 42 5.256 -6.201 -6.027 1.00 0.30 C ATOM 674 O ASN A 42 4.819 -5.447 -5.161 1.00 62.55 O ATOM 675 CB ASN A 42 7.707 -5.973 -6.529 1.00 72.21 C ATOM 676 CG ASN A 42 8.727 -6.016 -7.650 1.00 21.30 C ATOM 677 OD1 ASN A 42 8.925 -7.049 -8.282 1.00 24.24 O ATOM 678 ND2 ASN A 42 9.398 -4.912 -7.892 1.00 71.41 N ATOM 0 H ASN A 42 5.940 -3.693 -6.582 1.00 43.34 H new ATOM 0 HA ASN A 42 6.155 -6.285 -7.972 1.00 71.54 H new ATOM 0 HB2 ASN A 42 7.979 -5.190 -5.821 1.00 72.21 H new ATOM 0 HB3 ASN A 42 7.728 -6.917 -5.984 1.00 72.21 H new ATOM 0 HD21 ASN A 42 10.108 -4.897 -8.624 1.00 71.41 H new ATOM 0 HD22 ASN A 42 9.209 -4.070 -7.348 1.00 71.41 H new ATOM 685 N VAL A 43 4.876 -7.469 -6.135 1.00 74.23 N ATOM 686 CA VAL A 43 3.838 -8.049 -5.271 1.00 42.32 C ATOM 687 C VAL A 43 4.425 -8.972 -4.184 1.00 53.41 C ATOM 688 O VAL A 43 3.688 -9.688 -3.498 1.00 42.04 O ATOM 689 CB VAL A 43 2.810 -8.842 -6.116 1.00 25.40 C ATOM 690 CG1 VAL A 43 2.105 -7.921 -7.111 1.00 23.04 C ATOM 691 CG2 VAL A 43 3.485 -10.007 -6.840 1.00 34.52 C ATOM 0 H VAL A 43 5.269 -8.122 -6.813 1.00 74.23 H new ATOM 0 HA VAL A 43 3.345 -7.215 -4.772 1.00 42.32 H new ATOM 0 HB VAL A 43 2.059 -9.253 -5.441 1.00 25.40 H new ATOM 0 HG11 VAL A 43 1.387 -8.497 -7.695 1.00 23.04 H new ATOM 0 HG12 VAL A 43 1.583 -7.132 -6.570 1.00 23.04 H new ATOM 0 HG13 VAL A 43 2.842 -7.476 -7.779 1.00 23.04 H new ATOM 0 HG21 VAL A 43 2.744 -10.549 -7.427 1.00 34.52 H new ATOM 0 HG22 VAL A 43 4.262 -9.623 -7.502 1.00 34.52 H new ATOM 0 HG23 VAL A 43 3.932 -10.680 -6.108 1.00 34.52 H new ATOM 701 N VAL A 44 5.747 -8.946 -4.027 1.00 74.23 N ATOM 702 CA VAL A 44 6.432 -9.803 -3.049 1.00 33.32 C ATOM 703 C VAL A 44 6.455 -9.162 -1.648 1.00 53.01 C ATOM 704 O VAL A 44 6.641 -7.953 -1.508 1.00 65.45 O ATOM 705 CB VAL A 44 7.881 -10.127 -3.504 1.00 71.13 C ATOM 706 CG1 VAL A 44 8.714 -8.853 -3.642 1.00 11.11 C ATOM 707 CG2 VAL A 44 8.551 -11.114 -2.545 1.00 2.43 C ATOM 0 H VAL A 44 6.370 -8.342 -4.563 1.00 74.23 H new ATOM 0 HA VAL A 44 5.865 -10.732 -2.991 1.00 33.32 H new ATOM 0 HB VAL A 44 7.822 -10.597 -4.486 1.00 71.13 H new ATOM 0 HG11 VAL A 44 9.724 -9.111 -3.962 1.00 11.11 H new ATOM 0 HG12 VAL A 44 8.256 -8.197 -4.382 1.00 11.11 H new ATOM 0 HG13 VAL A 44 8.758 -8.341 -2.681 1.00 11.11 H new ATOM 0 HG21 VAL A 44 9.564 -11.323 -2.888 1.00 2.43 H new ATOM 0 HG22 VAL A 44 8.588 -10.682 -1.545 1.00 2.43 H new ATOM 0 HG23 VAL A 44 7.978 -12.041 -2.518 1.00 2.43 H new ATOM 717 N GLU A 45 6.270 -9.988 -0.616 1.00 61.15 N ATOM 718 CA GLU A 45 6.219 -9.510 0.774 1.00 30.22 C ATOM 719 C GLU A 45 7.347 -10.126 1.614 1.00 74.44 C ATOM 720 O GLU A 45 8.068 -11.010 1.148 1.00 33.44 O ATOM 721 CB GLU A 45 4.856 -9.859 1.395 1.00 43.34 C ATOM 722 CG GLU A 45 4.566 -11.357 1.459 1.00 30.32 C ATOM 723 CD GLU A 45 3.211 -11.670 2.075 1.00 71.03 C ATOM 724 OE1 GLU A 45 3.077 -11.553 3.313 1.00 63.14 O ATOM 725 OE2 GLU A 45 2.279 -12.029 1.331 1.00 72.11 O ATOM 0 H GLU A 45 6.152 -10.996 -0.714 1.00 61.15 H new ATOM 0 HA GLU A 45 6.352 -8.428 0.767 1.00 30.22 H new ATOM 0 HB2 GLU A 45 4.812 -9.448 2.404 1.00 43.34 H new ATOM 0 HB3 GLU A 45 4.070 -9.372 0.818 1.00 43.34 H new ATOM 0 HG2 GLU A 45 4.607 -11.774 0.453 1.00 30.32 H new ATOM 0 HG3 GLU A 45 5.346 -11.849 2.040 1.00 30.32 H new ATOM 732 N ASN A 46 7.500 -9.660 2.855 1.00 61.14 N ATOM 733 CA ASN A 46 8.477 -10.248 3.781 1.00 41.33 C ATOM 734 C ASN A 46 8.124 -11.712 4.099 1.00 54.24 C ATOM 735 O ASN A 46 7.252 -11.990 4.925 1.00 10.21 O ATOM 736 CB ASN A 46 8.558 -9.436 5.083 1.00 35.33 C ATOM 737 CG ASN A 46 8.957 -7.991 4.850 1.00 71.31 C ATOM 738 OD1 ASN A 46 8.490 -7.341 3.921 1.00 54.34 O ATOM 739 ND2 ASN A 46 9.848 -7.484 5.676 1.00 3.12 N ATOM 0 H ASN A 46 6.965 -8.883 3.243 1.00 61.14 H new ATOM 0 HA ASN A 46 9.450 -10.222 3.291 1.00 41.33 H new ATOM 0 HB2 ASN A 46 7.591 -9.465 5.585 1.00 35.33 H new ATOM 0 HB3 ASN A 46 9.279 -9.904 5.753 1.00 35.33 H new ATOM 0 HD21 ASN A 46 10.169 -6.524 5.553 1.00 3.12 H new ATOM 0 HD22 ASN A 46 10.217 -8.051 6.439 1.00 3.12 H new ATOM 746 N THR A 47 8.795 -12.641 3.420 1.00 60.10 N ATOM 747 CA THR A 47 8.527 -14.079 3.587 1.00 45.15 C ATOM 748 C THR A 47 9.703 -14.936 3.102 1.00 14.34 C ATOM 749 O THR A 47 10.603 -14.447 2.419 1.00 50.54 O ATOM 750 CB THR A 47 7.247 -14.507 2.823 1.00 44.25 C ATOM 751 OG1 THR A 47 6.993 -15.911 3.008 1.00 31.54 O ATOM 752 CG2 THR A 47 7.364 -14.203 1.329 1.00 51.20 C ATOM 0 H THR A 47 9.531 -12.429 2.746 1.00 60.10 H new ATOM 0 HA THR A 47 8.384 -14.243 4.655 1.00 45.15 H new ATOM 0 HB THR A 47 6.415 -13.932 3.231 1.00 44.25 H new ATOM 0 HG1 THR A 47 6.181 -16.164 2.521 1.00 31.54 H new ATOM 0 HG21 THR A 47 6.451 -14.515 0.822 1.00 51.20 H new ATOM 0 HG22 THR A 47 7.511 -13.133 1.186 1.00 51.20 H new ATOM 0 HG23 THR A 47 8.213 -14.745 0.913 1.00 51.20 H new ATOM 760 N ALA A 48 9.677 -16.224 3.442 1.00 52.42 N ATOM 761 CA ALA A 48 10.748 -17.158 3.066 1.00 61.44 C ATOM 762 C ALA A 48 10.619 -17.640 1.608 1.00 62.12 C ATOM 763 O ALA A 48 11.184 -18.670 1.235 1.00 51.11 O ATOM 764 CB ALA A 48 10.753 -18.350 4.019 1.00 20.35 C ATOM 0 H ALA A 48 8.923 -16.650 3.980 1.00 52.42 H new ATOM 0 HA ALA A 48 11.694 -16.622 3.143 1.00 61.44 H new ATOM 0 HB1 ALA A 48 11.549 -19.039 3.736 1.00 20.35 H new ATOM 0 HB2 ALA A 48 10.921 -18.001 5.038 1.00 20.35 H new ATOM 0 HB3 ALA A 48 9.793 -18.863 3.965 1.00 20.35 H new ATOM 770 N ASN A 49 9.893 -16.883 0.782 1.00 51.14 N ATOM 771 CA ASN A 49 9.690 -17.232 -0.631 1.00 21.14 C ATOM 772 C ASN A 49 10.382 -16.217 -1.567 1.00 2.53 C ATOM 773 O ASN A 49 9.750 -15.283 -2.060 1.00 34.34 O ATOM 774 CB ASN A 49 8.187 -17.299 -0.944 1.00 33.31 C ATOM 775 CG ASN A 49 7.458 -18.320 -0.084 1.00 24.35 C ATOM 776 OD1 ASN A 49 8.013 -19.349 0.285 1.00 34.44 O ATOM 777 ND2 ASN A 49 6.212 -18.045 0.241 1.00 11.12 N ATOM 0 H ASN A 49 9.432 -16.019 1.067 1.00 51.14 H new ATOM 0 HA ASN A 49 10.140 -18.209 -0.805 1.00 21.14 H new ATOM 0 HB2 ASN A 49 7.743 -16.316 -0.790 1.00 33.31 H new ATOM 0 HB3 ASN A 49 8.049 -17.550 -1.996 1.00 33.31 H new ATOM 0 HD21 ASN A 49 5.679 -18.697 0.816 1.00 11.12 H new ATOM 0 HD22 ASN A 49 5.780 -17.180 -0.083 1.00 11.12 H new ATOM 784 N PRO A 50 11.701 -16.377 -1.809 1.00 52.02 N ATOM 785 CA PRO A 50 12.467 -15.449 -2.653 1.00 11.32 C ATOM 786 C PRO A 50 12.342 -15.737 -4.167 1.00 50.04 C ATOM 787 O PRO A 50 11.868 -14.895 -4.934 1.00 5.03 O ATOM 788 CB PRO A 50 13.903 -15.664 -2.160 1.00 73.13 C ATOM 789 CG PRO A 50 13.949 -17.094 -1.718 1.00 30.43 C ATOM 790 CD PRO A 50 12.553 -17.451 -1.255 1.00 0.15 C ATOM 0 HA PRO A 50 12.109 -14.423 -2.564 1.00 11.32 H new ATOM 0 HB2 PRO A 50 14.626 -15.472 -2.953 1.00 73.13 H new ATOM 0 HB3 PRO A 50 14.144 -14.989 -1.339 1.00 73.13 H new ATOM 0 HG2 PRO A 50 14.263 -17.742 -2.536 1.00 30.43 H new ATOM 0 HG3 PRO A 50 14.670 -17.227 -0.911 1.00 30.43 H new ATOM 0 HD2 PRO A 50 12.249 -18.431 -1.624 1.00 0.15 H new ATOM 0 HD3 PRO A 50 12.491 -17.487 -0.167 1.00 0.15 H new ATOM 798 N HIS A 51 12.750 -16.935 -4.591 1.00 32.22 N ATOM 799 CA HIS A 51 12.758 -17.296 -6.017 1.00 24.13 C ATOM 800 C HIS A 51 11.424 -17.912 -6.464 1.00 43.14 C ATOM 801 O HIS A 51 11.330 -18.479 -7.551 1.00 14.11 O ATOM 802 CB HIS A 51 13.908 -18.271 -6.305 1.00 53.43 C ATOM 803 CG HIS A 51 15.270 -17.641 -6.249 1.00 62.34 C ATOM 804 ND1 HIS A 51 16.073 -17.484 -7.360 1.00 40.12 N ATOM 805 CD2 HIS A 51 15.975 -17.132 -5.210 1.00 72.54 C ATOM 806 CE1 HIS A 51 17.205 -16.912 -7.009 1.00 63.21 C ATOM 807 NE2 HIS A 51 17.172 -16.687 -5.713 1.00 4.14 N ATOM 0 H HIS A 51 13.080 -17.674 -3.970 1.00 32.22 H new ATOM 0 HA HIS A 51 12.903 -16.378 -6.587 1.00 24.13 H new ATOM 0 HB2 HIS A 51 13.867 -19.088 -5.585 1.00 53.43 H new ATOM 0 HB3 HIS A 51 13.761 -18.708 -7.293 1.00 53.43 H new ATOM 0 HD2 HIS A 51 15.655 -17.085 -4.180 1.00 72.54 H new ATOM 0 HE1 HIS A 51 18.022 -16.669 -7.672 1.00 63.21 H new ATOM 0 HE2 HIS A 51 17.917 -16.251 -5.169 1.00 4.14 H new ATOM 816 N PHE A 52 10.395 -17.796 -5.629 1.00 64.35 N ATOM 817 CA PHE A 52 9.060 -18.301 -5.970 1.00 22.13 C ATOM 818 C PHE A 52 8.249 -17.233 -6.720 1.00 3.11 C ATOM 819 O PHE A 52 8.046 -16.128 -6.217 1.00 52.32 O ATOM 820 CB PHE A 52 8.315 -18.733 -4.699 1.00 11.15 C ATOM 821 CG PHE A 52 8.941 -19.917 -4.000 1.00 45.31 C ATOM 822 CD1 PHE A 52 10.028 -19.749 -3.152 1.00 75.15 C ATOM 823 CD2 PHE A 52 8.438 -21.197 -4.187 1.00 60.53 C ATOM 824 CE1 PHE A 52 10.596 -20.831 -2.506 1.00 0.04 C ATOM 825 CE2 PHE A 52 9.005 -22.282 -3.544 1.00 2.04 C ATOM 826 CZ PHE A 52 10.086 -22.098 -2.703 1.00 34.20 C ATOM 0 H PHE A 52 10.456 -17.357 -4.710 1.00 64.35 H new ATOM 0 HA PHE A 52 9.178 -19.166 -6.623 1.00 22.13 H new ATOM 0 HB2 PHE A 52 8.278 -17.892 -4.007 1.00 11.15 H new ATOM 0 HB3 PHE A 52 7.285 -18.978 -4.958 1.00 11.15 H new ATOM 0 HD1 PHE A 52 10.435 -18.761 -2.995 1.00 75.15 H new ATOM 0 HD2 PHE A 52 7.593 -21.347 -4.843 1.00 60.53 H new ATOM 0 HE1 PHE A 52 11.439 -20.685 -1.847 1.00 0.04 H new ATOM 0 HE2 PHE A 52 8.603 -23.272 -3.699 1.00 2.04 H new ATOM 0 HZ PHE A 52 10.531 -22.944 -2.201 1.00 34.20 H new ATOM 836 N VAL A 53 7.800 -17.559 -7.931 1.00 43.34 N ATOM 837 CA VAL A 53 7.009 -16.621 -8.744 1.00 2.52 C ATOM 838 C VAL A 53 5.496 -16.774 -8.475 1.00 31.10 C ATOM 839 O VAL A 53 4.656 -16.256 -9.217 1.00 24.14 O ATOM 840 CB VAL A 53 7.301 -16.820 -10.259 1.00 40.42 C ATOM 841 CG1 VAL A 53 6.687 -18.122 -10.778 1.00 4.41 C ATOM 842 CG2 VAL A 53 6.829 -15.613 -11.078 1.00 65.53 C ATOM 0 H VAL A 53 7.967 -18.462 -8.375 1.00 43.34 H new ATOM 0 HA VAL A 53 7.306 -15.613 -8.455 1.00 2.52 H new ATOM 0 HB VAL A 53 8.381 -16.898 -10.380 1.00 40.42 H new ATOM 0 HG11 VAL A 53 6.909 -18.231 -11.840 1.00 4.41 H new ATOM 0 HG12 VAL A 53 7.107 -18.966 -10.231 1.00 4.41 H new ATOM 0 HG13 VAL A 53 5.607 -18.098 -10.634 1.00 4.41 H new ATOM 0 HG21 VAL A 53 7.047 -15.781 -12.133 1.00 65.53 H new ATOM 0 HG22 VAL A 53 5.755 -15.481 -10.946 1.00 65.53 H new ATOM 0 HG23 VAL A 53 7.349 -14.717 -10.739 1.00 65.53 H new ATOM 852 N ARG A 54 5.152 -17.490 -7.406 1.00 20.41 N ATOM 853 CA ARG A 54 3.753 -17.689 -7.016 1.00 42.10 C ATOM 854 C ARG A 54 3.430 -16.952 -5.704 1.00 44.01 C ATOM 855 O ARG A 54 4.284 -16.255 -5.156 1.00 3.13 O ATOM 856 CB ARG A 54 3.446 -19.191 -6.909 1.00 4.31 C ATOM 857 CG ARG A 54 3.697 -19.946 -8.215 1.00 54.41 C ATOM 858 CD ARG A 54 3.063 -21.332 -8.216 1.00 32.21 C ATOM 859 NE ARG A 54 3.650 -22.234 -7.227 1.00 15.51 N ATOM 860 CZ ARG A 54 3.334 -23.497 -7.118 1.00 63.32 C ATOM 861 NH1 ARG A 54 2.416 -24.016 -7.870 1.00 74.43 N ATOM 862 NH2 ARG A 54 3.921 -24.243 -6.244 1.00 51.41 N ATOM 0 H ARG A 54 5.826 -17.945 -6.790 1.00 20.41 H new ATOM 0 HA ARG A 54 3.112 -17.262 -7.788 1.00 42.10 H new ATOM 0 HB2 ARG A 54 4.059 -19.626 -6.120 1.00 4.31 H new ATOM 0 HB3 ARG A 54 2.405 -19.323 -6.613 1.00 4.31 H new ATOM 0 HG2 ARG A 54 3.299 -19.367 -9.048 1.00 54.41 H new ATOM 0 HG3 ARG A 54 4.771 -20.041 -8.376 1.00 54.41 H new ATOM 0 HD2 ARG A 54 1.995 -21.236 -8.022 1.00 32.21 H new ATOM 0 HD3 ARG A 54 3.169 -21.772 -9.208 1.00 32.21 H new ATOM 0 HE ARG A 54 4.346 -21.856 -6.585 1.00 15.51 H new ATOM 0 HH11 ARG A 54 1.931 -23.437 -8.556 1.00 74.43 H new ATOM 0 HH12 ARG A 54 2.178 -25.003 -7.776 1.00 74.43 H new ATOM 0 HH21 ARG A 54 4.636 -23.847 -5.634 1.00 51.41 H new ATOM 0 HH22 ARG A 54 3.670 -25.228 -6.164 1.00 51.41 H new ATOM 876 N ARG A 55 2.184 -17.097 -5.224 1.00 42.14 N ATOM 877 CA ARG A 55 1.660 -16.321 -4.073 1.00 73.02 C ATOM 878 C ARG A 55 1.287 -14.885 -4.506 1.00 23.45 C ATOM 879 O ARG A 55 0.568 -14.188 -3.799 1.00 31.54 O ATOM 880 CB ARG A 55 2.669 -16.313 -2.895 1.00 5.32 C ATOM 881 CG ARG A 55 2.116 -15.840 -1.535 1.00 63.44 C ATOM 882 CD ARG A 55 2.561 -14.416 -1.163 1.00 11.40 C ATOM 883 NE ARG A 55 1.745 -13.396 -1.809 1.00 53.03 N ATOM 884 CZ ARG A 55 2.160 -12.199 -2.130 1.00 23.51 C ATOM 885 NH1 ARG A 55 3.361 -11.813 -1.849 1.00 64.31 N ATOM 886 NH2 ARG A 55 1.360 -11.381 -2.736 1.00 51.21 N ATOM 0 H ARG A 55 1.508 -17.752 -5.617 1.00 42.14 H new ATOM 0 HA ARG A 55 0.752 -16.811 -3.720 1.00 73.02 H new ATOM 0 HB2 ARG A 55 3.063 -17.322 -2.774 1.00 5.32 H new ATOM 0 HB3 ARG A 55 3.509 -15.673 -3.166 1.00 5.32 H new ATOM 0 HG2 ARG A 55 1.027 -15.879 -1.559 1.00 63.44 H new ATOM 0 HG3 ARG A 55 2.442 -16.531 -0.757 1.00 63.44 H new ATOM 0 HD2 ARG A 55 2.506 -14.291 -0.082 1.00 11.40 H new ATOM 0 HD3 ARG A 55 3.604 -14.278 -1.447 1.00 11.40 H new ATOM 0 HE ARG A 55 0.777 -13.634 -2.027 1.00 53.03 H new ATOM 0 HH11 ARG A 55 4.001 -12.446 -1.370 1.00 64.31 H new ATOM 0 HH12 ARG A 55 3.669 -10.875 -2.107 1.00 64.31 H new ATOM 0 HH21 ARG A 55 0.409 -11.671 -2.962 1.00 51.21 H new ATOM 0 HH22 ARG A 55 1.681 -10.446 -2.988 1.00 51.21 H new ATOM 900 N ASN A 56 1.732 -14.486 -5.707 1.00 24.43 N ATOM 901 CA ASN A 56 1.532 -13.125 -6.256 1.00 40.43 C ATOM 902 C ASN A 56 0.124 -12.542 -6.007 1.00 63.30 C ATOM 903 O ASN A 56 -0.062 -11.324 -6.057 1.00 0.10 O ATOM 904 CB ASN A 56 1.815 -13.136 -7.764 1.00 43.32 C ATOM 905 CG ASN A 56 3.273 -13.413 -8.084 1.00 21.13 C ATOM 906 OD1 ASN A 56 3.970 -14.086 -7.339 1.00 71.13 O ATOM 907 ND2 ASN A 56 3.744 -12.903 -9.204 1.00 32.34 N ATOM 0 H ASN A 56 2.247 -15.102 -6.336 1.00 24.43 H new ATOM 0 HA ASN A 56 2.230 -12.478 -5.724 1.00 40.43 H new ATOM 0 HB2 ASN A 56 1.192 -13.893 -8.241 1.00 43.32 H new ATOM 0 HB3 ASN A 56 1.530 -12.174 -8.190 1.00 43.32 H new ATOM 0 HD21 ASN A 56 4.715 -13.066 -9.470 1.00 32.34 H new ATOM 0 HD22 ASN A 56 3.137 -12.345 -9.805 1.00 32.34 H new ATOM 914 N ILE A 57 -0.856 -13.406 -5.757 1.00 31.43 N ATOM 915 CA ILE A 57 -2.217 -12.966 -5.436 1.00 10.21 C ATOM 916 C ILE A 57 -2.229 -11.944 -4.279 1.00 73.11 C ATOM 917 O ILE A 57 -1.757 -12.230 -3.174 1.00 22.00 O ATOM 918 CB ILE A 57 -3.107 -14.176 -5.052 1.00 72.41 C ATOM 919 CG1 ILE A 57 -3.124 -15.209 -6.192 1.00 55.31 C ATOM 920 CG2 ILE A 57 -4.526 -13.719 -4.706 1.00 64.42 C ATOM 921 CD1 ILE A 57 -3.886 -16.476 -5.864 1.00 72.15 C ATOM 0 H ILE A 57 -0.736 -14.419 -5.770 1.00 31.43 H new ATOM 0 HA ILE A 57 -2.615 -12.485 -6.330 1.00 10.21 H new ATOM 0 HB ILE A 57 -2.684 -14.650 -4.166 1.00 72.41 H new ATOM 0 HG12 ILE A 57 -3.565 -14.751 -7.077 1.00 55.31 H new ATOM 0 HG13 ILE A 57 -2.097 -15.471 -6.447 1.00 55.31 H new ATOM 0 HG21 ILE A 57 -5.132 -14.585 -4.440 1.00 64.42 H new ATOM 0 HG22 ILE A 57 -4.491 -13.028 -3.864 1.00 64.42 H new ATOM 0 HG23 ILE A 57 -4.967 -13.218 -5.568 1.00 64.42 H new ATOM 0 HD11 ILE A 57 -3.851 -17.153 -6.718 1.00 72.15 H new ATOM 0 HD12 ILE A 57 -3.433 -16.960 -4.999 1.00 72.15 H new ATOM 0 HD13 ILE A 57 -4.923 -16.229 -5.639 1.00 72.15 H new ATOM 933 N ILE A 58 -2.742 -10.745 -4.548 1.00 70.12 N ATOM 934 CA ILE A 58 -2.841 -9.702 -3.519 1.00 1.24 C ATOM 935 C ILE A 58 -3.987 -9.999 -2.535 1.00 33.00 C ATOM 936 O ILE A 58 -5.106 -10.312 -2.945 1.00 65.01 O ATOM 937 CB ILE A 58 -3.065 -8.298 -4.150 1.00 51.12 C ATOM 938 CG1 ILE A 58 -1.946 -7.963 -5.153 1.00 41.10 C ATOM 939 CG2 ILE A 58 -3.152 -7.222 -3.067 1.00 54.12 C ATOM 940 CD1 ILE A 58 -0.560 -7.921 -4.541 1.00 5.33 C ATOM 0 H ILE A 58 -3.095 -10.469 -5.464 1.00 70.12 H new ATOM 0 HA ILE A 58 -1.894 -9.701 -2.980 1.00 1.24 H new ATOM 0 HB ILE A 58 -4.013 -8.320 -4.688 1.00 51.12 H new ATOM 0 HG12 ILE A 58 -1.956 -8.703 -5.953 1.00 41.10 H new ATOM 0 HG13 ILE A 58 -2.159 -6.997 -5.610 1.00 41.10 H new ATOM 0 HG21 ILE A 58 -3.309 -6.249 -3.533 1.00 54.12 H new ATOM 0 HG22 ILE A 58 -3.985 -7.444 -2.400 1.00 54.12 H new ATOM 0 HG23 ILE A 58 -2.224 -7.205 -2.495 1.00 54.12 H new ATOM 0 HD11 ILE A 58 0.171 -7.679 -5.312 1.00 5.33 H new ATOM 0 HD12 ILE A 58 -0.530 -7.161 -3.761 1.00 5.33 H new ATOM 0 HD13 ILE A 58 -0.323 -8.893 -4.109 1.00 5.33 H new ATOM 952 N THR A 59 -3.703 -9.909 -1.238 1.00 23.32 N ATOM 953 CA THR A 59 -4.725 -10.142 -0.205 1.00 31.00 C ATOM 954 C THR A 59 -4.482 -9.281 1.043 1.00 13.05 C ATOM 955 O THR A 59 -3.460 -8.603 1.157 1.00 72.31 O ATOM 956 CB THR A 59 -4.790 -11.631 0.210 1.00 11.12 C ATOM 957 OG1 THR A 59 -5.837 -11.831 1.175 1.00 12.00 O ATOM 958 CG2 THR A 59 -3.458 -12.100 0.788 1.00 21.24 C ATOM 0 H THR A 59 -2.779 -9.678 -0.872 1.00 23.32 H new ATOM 0 HA THR A 59 -5.678 -9.856 -0.651 1.00 31.00 H new ATOM 0 HB THR A 59 -5.003 -12.220 -0.682 1.00 11.12 H new ATOM 0 HG1 THR A 59 -5.871 -12.777 1.430 1.00 12.00 H new ATOM 0 HG21 THR A 59 -3.534 -13.150 1.071 1.00 21.24 H new ATOM 0 HG22 THR A 59 -2.675 -11.981 0.039 1.00 21.24 H new ATOM 0 HG23 THR A 59 -3.213 -11.504 1.667 1.00 21.24 H new ATOM 966 N ARG A 60 -5.421 -9.332 1.983 1.00 2.04 N ATOM 967 CA ARG A 60 -5.349 -8.530 3.205 1.00 23.53 C ATOM 968 C ARG A 60 -4.258 -9.055 4.158 1.00 14.53 C ATOM 969 O ARG A 60 -4.320 -10.194 4.627 1.00 54.44 O ATOM 970 CB ARG A 60 -6.713 -8.525 3.907 1.00 64.13 C ATOM 971 CG ARG A 60 -6.733 -7.735 5.210 1.00 35.14 C ATOM 972 CD ARG A 60 -8.133 -7.653 5.811 1.00 5.20 C ATOM 973 NE ARG A 60 -8.131 -6.970 7.100 1.00 53.44 N ATOM 974 CZ ARG A 60 -9.196 -6.745 7.820 1.00 62.41 C ATOM 975 NH1 ARG A 60 -10.375 -7.089 7.397 1.00 73.54 N ATOM 976 NH2 ARG A 60 -9.078 -6.163 8.963 1.00 73.23 N ATOM 0 H ARG A 60 -6.249 -9.925 1.923 1.00 2.04 H new ATOM 0 HA ARG A 60 -5.084 -7.510 2.927 1.00 23.53 H new ATOM 0 HB2 ARG A 60 -7.458 -8.108 3.229 1.00 64.13 H new ATOM 0 HB3 ARG A 60 -7.009 -9.554 4.112 1.00 64.13 H new ATOM 0 HG2 ARG A 60 -6.058 -8.202 5.927 1.00 35.14 H new ATOM 0 HG3 ARG A 60 -6.357 -6.728 5.029 1.00 35.14 H new ATOM 0 HD2 ARG A 60 -8.794 -7.127 5.122 1.00 5.20 H new ATOM 0 HD3 ARG A 60 -8.535 -8.659 5.933 1.00 5.20 H new ATOM 0 HE ARG A 60 -7.235 -6.646 7.464 1.00 53.44 H new ATOM 0 HH11 ARG A 60 -10.479 -7.542 6.489 1.00 73.54 H new ATOM 0 HH12 ARG A 60 -11.197 -6.906 7.973 1.00 73.54 H new ATOM 0 HH21 ARG A 60 -8.157 -5.882 9.299 1.00 73.23 H new ATOM 0 HH22 ARG A 60 -9.905 -5.984 9.532 1.00 73.23 H new ATOM 990 N GLY A 61 -3.267 -8.214 4.445 1.00 52.20 N ATOM 991 CA GLY A 61 -2.152 -8.614 5.302 1.00 54.50 C ATOM 992 C GLY A 61 -0.835 -8.756 4.538 1.00 54.52 C ATOM 993 O GLY A 61 0.238 -8.814 5.140 1.00 43.13 O ATOM 0 H GLY A 61 -3.212 -7.256 4.099 1.00 52.20 H new ATOM 0 HA2 GLY A 61 -2.028 -7.877 6.096 1.00 54.50 H new ATOM 0 HA3 GLY A 61 -2.392 -9.563 5.782 1.00 54.50 H new ATOM 997 N ALA A 62 -0.917 -8.810 3.209 1.00 63.35 N ATOM 998 CA ALA A 62 0.270 -8.953 2.357 1.00 34.14 C ATOM 999 C ALA A 62 0.959 -7.599 2.098 1.00 41.41 C ATOM 1000 O ALA A 62 0.298 -6.571 1.941 1.00 4.34 O ATOM 1001 CB ALA A 62 -0.114 -9.612 1.038 1.00 42.34 C ATOM 0 H ALA A 62 -1.796 -8.757 2.694 1.00 63.35 H new ATOM 0 HA ALA A 62 0.984 -9.585 2.885 1.00 34.14 H new ATOM 0 HB1 ALA A 62 0.772 -9.715 0.411 1.00 42.34 H new ATOM 0 HB2 ALA A 62 -0.537 -10.598 1.233 1.00 42.34 H new ATOM 0 HB3 ALA A 62 -0.852 -8.996 0.525 1.00 42.34 H new ATOM 1007 N VAL A 63 2.291 -7.604 2.063 1.00 22.21 N ATOM 1008 CA VAL A 63 3.072 -6.394 1.766 1.00 30.42 C ATOM 1009 C VAL A 63 3.500 -6.358 0.288 1.00 44.23 C ATOM 1010 O VAL A 63 3.843 -7.386 -0.293 1.00 64.52 O ATOM 1011 CB VAL A 63 4.337 -6.310 2.660 1.00 4.13 C ATOM 1012 CG1 VAL A 63 5.152 -5.054 2.350 1.00 52.30 C ATOM 1013 CG2 VAL A 63 3.959 -6.355 4.141 1.00 21.41 C ATOM 0 H VAL A 63 2.858 -8.434 2.237 1.00 22.21 H new ATOM 0 HA VAL A 63 2.428 -5.540 1.975 1.00 30.42 H new ATOM 0 HB VAL A 63 4.959 -7.177 2.437 1.00 4.13 H new ATOM 0 HG11 VAL A 63 6.032 -5.023 2.993 1.00 52.30 H new ATOM 0 HG12 VAL A 63 5.465 -5.072 1.306 1.00 52.30 H new ATOM 0 HG13 VAL A 63 4.540 -4.170 2.530 1.00 52.30 H new ATOM 0 HG21 VAL A 63 4.862 -6.295 4.749 1.00 21.41 H new ATOM 0 HG22 VAL A 63 3.307 -5.514 4.376 1.00 21.41 H new ATOM 0 HG23 VAL A 63 3.439 -7.289 4.356 1.00 21.41 H new ATOM 1023 N VAL A 64 3.466 -5.172 -0.318 1.00 71.32 N ATOM 1024 CA VAL A 64 3.888 -4.990 -1.714 1.00 41.50 C ATOM 1025 C VAL A 64 4.942 -3.877 -1.843 1.00 53.02 C ATOM 1026 O VAL A 64 5.248 -3.179 -0.876 1.00 22.32 O ATOM 1027 CB VAL A 64 2.682 -4.655 -2.630 1.00 44.50 C ATOM 1028 CG1 VAL A 64 1.670 -5.801 -2.635 1.00 43.34 C ATOM 1029 CG2 VAL A 64 2.019 -3.342 -2.207 1.00 20.55 C ATOM 0 H VAL A 64 3.149 -4.315 0.136 1.00 71.32 H new ATOM 0 HA VAL A 64 4.328 -5.935 -2.033 1.00 41.50 H new ATOM 0 HB VAL A 64 3.056 -4.528 -3.646 1.00 44.50 H new ATOM 0 HG11 VAL A 64 0.833 -5.544 -3.284 1.00 43.34 H new ATOM 0 HG12 VAL A 64 2.149 -6.708 -3.003 1.00 43.34 H new ATOM 0 HG13 VAL A 64 1.305 -5.969 -1.622 1.00 43.34 H new ATOM 0 HG21 VAL A 64 1.177 -3.131 -2.866 1.00 20.55 H new ATOM 0 HG22 VAL A 64 1.664 -3.428 -1.180 1.00 20.55 H new ATOM 0 HG23 VAL A 64 2.744 -2.531 -2.274 1.00 20.55 H new ATOM 1039 N GLU A 65 5.495 -3.721 -3.045 1.00 14.44 N ATOM 1040 CA GLU A 65 6.476 -2.666 -3.332 1.00 50.30 C ATOM 1041 C GLU A 65 5.893 -1.629 -4.305 1.00 53.11 C ATOM 1042 O GLU A 65 5.310 -1.987 -5.332 1.00 72.42 O ATOM 1043 CB GLU A 65 7.754 -3.274 -3.925 1.00 24.15 C ATOM 1044 CG GLU A 65 8.850 -2.248 -4.212 1.00 20.23 C ATOM 1045 CD GLU A 65 10.055 -2.845 -4.929 1.00 53.33 C ATOM 1046 OE1 GLU A 65 10.948 -3.392 -4.247 1.00 51.42 O ATOM 1047 OE2 GLU A 65 10.115 -2.754 -6.174 1.00 33.10 O ATOM 0 H GLU A 65 5.280 -4.316 -3.845 1.00 14.44 H new ATOM 0 HA GLU A 65 6.720 -2.166 -2.395 1.00 50.30 H new ATOM 0 HB2 GLU A 65 8.142 -4.023 -3.235 1.00 24.15 H new ATOM 0 HB3 GLU A 65 7.503 -3.792 -4.851 1.00 24.15 H new ATOM 0 HG2 GLU A 65 8.436 -1.443 -4.819 1.00 20.23 H new ATOM 0 HG3 GLU A 65 9.178 -1.803 -3.273 1.00 20.23 H new ATOM 1054 N THR A 66 6.069 -0.351 -3.984 1.00 32.20 N ATOM 1055 CA THR A 66 5.498 0.751 -4.778 1.00 21.20 C ATOM 1056 C THR A 66 6.515 1.881 -5.000 1.00 44.44 C ATOM 1057 O THR A 66 7.643 1.834 -4.506 1.00 14.04 O ATOM 1058 CB THR A 66 4.247 1.368 -4.096 1.00 43.00 C ATOM 1059 OG1 THR A 66 4.627 2.046 -2.887 1.00 52.34 O ATOM 1060 CG2 THR A 66 3.200 0.304 -3.778 1.00 12.14 C ATOM 0 H THR A 66 6.606 -0.043 -3.173 1.00 32.20 H new ATOM 0 HA THR A 66 5.218 0.309 -5.734 1.00 21.20 H new ATOM 0 HB THR A 66 3.808 2.080 -4.794 1.00 43.00 H new ATOM 0 HG1 THR A 66 5.318 1.528 -2.425 1.00 52.34 H new ATOM 0 HG21 THR A 66 2.339 0.772 -3.301 1.00 12.14 H new ATOM 0 HG22 THR A 66 2.884 -0.183 -4.701 1.00 12.14 H new ATOM 0 HG23 THR A 66 3.628 -0.438 -3.104 1.00 12.14 H new ATOM 1068 N ASN A 67 6.093 2.911 -5.734 1.00 1.13 N ATOM 1069 CA ASN A 67 6.938 4.087 -5.999 1.00 21.42 C ATOM 1070 C ASN A 67 7.160 4.946 -4.739 1.00 53.00 C ATOM 1071 O ASN A 67 8.028 5.820 -4.716 1.00 62.33 O ATOM 1072 CB ASN A 67 6.318 4.938 -7.118 1.00 43.35 C ATOM 1073 CG ASN A 67 4.884 5.349 -6.827 1.00 40.32 C ATOM 1074 OD1 ASN A 67 4.139 4.633 -6.171 1.00 21.34 O ATOM 1075 ND2 ASN A 67 4.484 6.503 -7.322 1.00 20.12 N ATOM 0 H ASN A 67 5.167 2.959 -6.160 1.00 1.13 H new ATOM 0 HA ASN A 67 7.915 3.721 -6.315 1.00 21.42 H new ATOM 0 HB2 ASN A 67 6.924 5.832 -7.265 1.00 43.35 H new ATOM 0 HB3 ASN A 67 6.347 4.377 -8.052 1.00 43.35 H new ATOM 0 HD21 ASN A 67 3.529 6.823 -7.162 1.00 20.12 H new ATOM 0 HD22 ASN A 67 5.130 7.076 -7.865 1.00 20.12 H new ATOM 1082 N LEU A 68 6.359 4.709 -3.701 1.00 41.51 N ATOM 1083 CA LEU A 68 6.506 5.423 -2.425 1.00 73.51 C ATOM 1084 C LEU A 68 7.287 4.582 -1.403 1.00 2.50 C ATOM 1085 O LEU A 68 7.799 5.108 -0.411 1.00 1.52 O ATOM 1086 CB LEU A 68 5.124 5.771 -1.850 1.00 74.43 C ATOM 1087 CG LEU A 68 4.213 6.599 -2.769 1.00 12.21 C ATOM 1088 CD1 LEU A 68 2.877 6.882 -2.086 1.00 52.54 C ATOM 1089 CD2 LEU A 68 4.900 7.898 -3.181 1.00 52.52 C ATOM 0 H LEU A 68 5.600 4.028 -3.715 1.00 41.51 H new ATOM 0 HA LEU A 68 7.064 6.339 -2.619 1.00 73.51 H new ATOM 0 HB2 LEU A 68 4.610 4.843 -1.599 1.00 74.43 H new ATOM 0 HB3 LEU A 68 5.265 6.319 -0.918 1.00 74.43 H new ATOM 0 HG LEU A 68 4.017 6.020 -3.672 1.00 12.21 H new ATOM 0 HD11 LEU A 68 2.245 7.469 -2.752 1.00 52.54 H new ATOM 0 HD12 LEU A 68 2.381 5.940 -1.853 1.00 52.54 H new ATOM 0 HD13 LEU A 68 3.050 7.439 -1.165 1.00 52.54 H new ATOM 0 HD21 LEU A 68 4.238 8.469 -3.832 1.00 52.52 H new ATOM 0 HD22 LEU A 68 5.131 8.485 -2.292 1.00 52.52 H new ATOM 0 HD23 LEU A 68 5.823 7.668 -3.714 1.00 52.52 H new ATOM 1101 N GLY A 69 7.388 3.282 -1.661 1.00 0.11 N ATOM 1102 CA GLY A 69 7.964 2.355 -0.695 1.00 0.11 C ATOM 1103 C GLY A 69 7.149 1.073 -0.601 1.00 14.34 C ATOM 1104 O GLY A 69 6.537 0.655 -1.578 1.00 72.14 O ATOM 0 H GLY A 69 7.079 2.847 -2.530 1.00 0.11 H new ATOM 0 HA2 GLY A 69 8.988 2.117 -0.983 1.00 0.11 H new ATOM 0 HA3 GLY A 69 8.011 2.831 0.285 1.00 0.11 H new ATOM 1108 N ASN A 70 7.126 0.444 0.563 1.00 53.23 N ATOM 1109 CA ASN A 70 6.335 -0.775 0.747 1.00 31.21 C ATOM 1110 C ASN A 70 4.951 -0.458 1.317 1.00 31.33 C ATOM 1111 O ASN A 70 4.777 0.506 2.051 1.00 65.24 O ATOM 1112 CB ASN A 70 7.079 -1.765 1.641 1.00 12.13 C ATOM 1113 CG ASN A 70 8.354 -2.241 0.985 1.00 10.41 C ATOM 1114 OD1 ASN A 70 9.430 -1.706 1.218 1.00 3.21 O ATOM 1115 ND2 ASN A 70 8.234 -3.227 0.120 1.00 71.01 N ATOM 0 H ASN A 70 7.638 0.749 1.391 1.00 53.23 H new ATOM 0 HA ASN A 70 6.191 -1.235 -0.231 1.00 31.21 H new ATOM 0 HB2 ASN A 70 7.312 -1.293 2.596 1.00 12.13 H new ATOM 0 HB3 ASN A 70 6.437 -2.619 1.856 1.00 12.13 H new ATOM 0 HD21 ASN A 70 9.054 -3.569 -0.381 1.00 71.01 H new ATOM 0 HD22 ASN A 70 7.321 -3.649 -0.049 1.00 71.01 H new ATOM 1122 N VAL A 71 3.960 -1.261 0.954 1.00 25.14 N ATOM 1123 CA VAL A 71 2.587 -1.042 1.415 1.00 14.41 C ATOM 1124 C VAL A 71 1.949 -2.349 1.901 1.00 74.34 C ATOM 1125 O VAL A 71 1.950 -3.348 1.185 1.00 63.04 O ATOM 1126 CB VAL A 71 1.706 -0.436 0.293 1.00 74.13 C ATOM 1127 CG1 VAL A 71 0.302 -0.123 0.808 1.00 30.42 C ATOM 1128 CG2 VAL A 71 2.358 0.812 -0.303 1.00 50.25 C ATOM 0 H VAL A 71 4.076 -2.070 0.343 1.00 25.14 H new ATOM 0 HA VAL A 71 2.641 -0.339 2.246 1.00 14.41 H new ATOM 0 HB VAL A 71 1.616 -1.180 -0.499 1.00 74.13 H new ATOM 0 HG11 VAL A 71 -0.295 0.301 0.001 1.00 30.42 H new ATOM 0 HG12 VAL A 71 -0.168 -1.040 1.164 1.00 30.42 H new ATOM 0 HG13 VAL A 71 0.366 0.593 1.627 1.00 30.42 H new ATOM 0 HG21 VAL A 71 1.719 1.217 -1.088 1.00 50.25 H new ATOM 0 HG22 VAL A 71 2.492 1.561 0.478 1.00 50.25 H new ATOM 0 HG23 VAL A 71 3.328 0.550 -0.725 1.00 50.25 H new ATOM 1138 N ARG A 72 1.415 -2.343 3.120 1.00 62.45 N ATOM 1139 CA ARG A 72 0.729 -3.523 3.662 1.00 45.41 C ATOM 1140 C ARG A 72 -0.788 -3.416 3.454 1.00 65.43 C ATOM 1141 O ARG A 72 -1.435 -2.533 4.014 1.00 50.45 O ATOM 1142 CB ARG A 72 1.047 -3.696 5.152 1.00 11.53 C ATOM 1143 CG ARG A 72 0.441 -4.958 5.756 1.00 22.13 C ATOM 1144 CD ARG A 72 0.898 -5.190 7.191 1.00 62.12 C ATOM 1145 NE ARG A 72 2.310 -5.569 7.273 1.00 31.14 N ATOM 1146 CZ ARG A 72 2.745 -6.627 7.909 1.00 31.42 C ATOM 1147 NH1 ARG A 72 1.917 -7.427 8.497 1.00 13.04 N ATOM 1148 NH2 ARG A 72 4.008 -6.879 7.956 1.00 32.33 N ATOM 0 H ARG A 72 1.441 -1.542 3.751 1.00 62.45 H new ATOM 0 HA ARG A 72 1.091 -4.399 3.124 1.00 45.41 H new ATOM 0 HB2 ARG A 72 2.129 -3.721 5.285 1.00 11.53 H new ATOM 0 HB3 ARG A 72 0.679 -2.827 5.698 1.00 11.53 H new ATOM 0 HG2 ARG A 72 -0.646 -4.884 5.731 1.00 22.13 H new ATOM 0 HG3 ARG A 72 0.716 -5.818 5.146 1.00 22.13 H new ATOM 0 HD2 ARG A 72 0.734 -4.283 7.773 1.00 62.12 H new ATOM 0 HD3 ARG A 72 0.288 -5.973 7.642 1.00 62.12 H new ATOM 0 HE ARG A 72 2.995 -4.974 6.807 1.00 31.14 H new ATOM 0 HH11 ARG A 72 0.915 -7.236 8.468 1.00 13.04 H new ATOM 0 HH12 ARG A 72 2.265 -8.249 8.990 1.00 13.04 H new ATOM 0 HH21 ARG A 72 4.670 -6.253 7.497 1.00 32.33 H new ATOM 0 HH22 ARG A 72 4.345 -7.704 8.452 1.00 32.33 H new ATOM 1162 N VAL A 73 -1.345 -4.328 2.658 1.00 24.42 N ATOM 1163 CA VAL A 73 -2.769 -4.294 2.291 1.00 15.55 C ATOM 1164 C VAL A 73 -3.697 -4.429 3.517 1.00 74.11 C ATOM 1165 O VAL A 73 -3.573 -5.366 4.311 1.00 45.44 O ATOM 1166 CB VAL A 73 -3.105 -5.409 1.268 1.00 32.51 C ATOM 1167 CG1 VAL A 73 -4.572 -5.340 0.843 1.00 20.12 C ATOM 1168 CG2 VAL A 73 -2.184 -5.317 0.050 1.00 61.03 C ATOM 0 H VAL A 73 -0.830 -5.108 2.249 1.00 24.42 H new ATOM 0 HA VAL A 73 -2.946 -3.318 1.840 1.00 15.55 H new ATOM 0 HB VAL A 73 -2.941 -6.372 1.752 1.00 32.51 H new ATOM 0 HG11 VAL A 73 -4.781 -6.133 0.125 1.00 20.12 H new ATOM 0 HG12 VAL A 73 -5.210 -5.465 1.718 1.00 20.12 H new ATOM 0 HG13 VAL A 73 -4.772 -4.372 0.383 1.00 20.12 H new ATOM 0 HG21 VAL A 73 -2.435 -6.108 -0.657 1.00 61.03 H new ATOM 0 HG22 VAL A 73 -2.312 -4.347 -0.430 1.00 61.03 H new ATOM 0 HG23 VAL A 73 -1.148 -5.430 0.368 1.00 61.03 H new ATOM 1178 N THR A 74 -4.630 -3.482 3.652 1.00 73.30 N ATOM 1179 CA THR A 74 -5.574 -3.442 4.784 1.00 3.01 C ATOM 1180 C THR A 74 -6.963 -3.985 4.415 1.00 72.13 C ATOM 1181 O THR A 74 -7.593 -4.691 5.206 1.00 61.13 O ATOM 1182 CB THR A 74 -5.755 -1.999 5.309 1.00 74.02 C ATOM 1183 OG1 THR A 74 -6.176 -1.144 4.237 1.00 33.01 O ATOM 1184 CG2 THR A 74 -4.463 -1.468 5.913 1.00 52.24 C ATOM 0 H THR A 74 -4.756 -2.721 2.984 1.00 73.30 H new ATOM 0 HA THR A 74 -5.136 -4.078 5.553 1.00 3.01 H new ATOM 0 HB THR A 74 -6.516 -2.012 6.090 1.00 74.02 H new ATOM 0 HG1 THR A 74 -6.291 -0.231 4.573 1.00 33.01 H new ATOM 0 HG21 THR A 74 -4.621 -0.452 6.274 1.00 52.24 H new ATOM 0 HG22 THR A 74 -4.161 -2.105 6.744 1.00 52.24 H new ATOM 0 HG23 THR A 74 -3.680 -1.466 5.154 1.00 52.24 H new ATOM 1192 N SER A 75 -7.450 -3.635 3.228 1.00 61.22 N ATOM 1193 CA SER A 75 -8.794 -4.055 2.782 1.00 53.13 C ATOM 1194 C SER A 75 -8.728 -5.232 1.800 1.00 12.42 C ATOM 1195 O SER A 75 -7.648 -5.711 1.456 1.00 64.43 O ATOM 1196 CB SER A 75 -9.538 -2.878 2.131 1.00 14.14 C ATOM 1197 OG SER A 75 -9.752 -1.825 3.062 1.00 75.31 O ATOM 0 H SER A 75 -6.943 -3.063 2.552 1.00 61.22 H new ATOM 0 HA SER A 75 -9.339 -4.384 3.667 1.00 53.13 H new ATOM 0 HB2 SER A 75 -8.963 -2.506 1.283 1.00 14.14 H new ATOM 0 HB3 SER A 75 -10.496 -3.222 1.740 1.00 14.14 H new ATOM 0 HG SER A 75 -10.225 -1.089 2.621 1.00 75.31 H new ATOM 1203 N ARG A 76 -9.895 -5.705 1.359 1.00 53.22 N ATOM 1204 CA ARG A 76 -9.966 -6.802 0.385 1.00 61.51 C ATOM 1205 C ARG A 76 -9.933 -6.288 -1.065 1.00 30.43 C ATOM 1206 O ARG A 76 -10.834 -5.569 -1.499 1.00 12.15 O ATOM 1207 CB ARG A 76 -11.234 -7.641 0.611 1.00 70.23 C ATOM 1208 CG ARG A 76 -11.118 -8.639 1.758 1.00 11.13 C ATOM 1209 CD ARG A 76 -10.015 -9.664 1.499 1.00 42.34 C ATOM 1210 NE ARG A 76 -10.180 -10.332 0.208 1.00 32.35 N ATOM 1211 CZ ARG A 76 -9.407 -11.285 -0.239 1.00 13.25 C ATOM 1212 NH1 ARG A 76 -8.435 -11.748 0.480 1.00 63.42 N ATOM 1213 NH2 ARG A 76 -9.625 -11.785 -1.407 1.00 2.35 N ATOM 0 H ARG A 76 -10.803 -5.349 1.658 1.00 53.22 H new ATOM 0 HA ARG A 76 -9.086 -7.426 0.539 1.00 61.51 H new ATOM 0 HB2 ARG A 76 -12.071 -6.971 0.809 1.00 70.23 H new ATOM 0 HB3 ARG A 76 -11.468 -8.182 -0.306 1.00 70.23 H new ATOM 0 HG2 ARG A 76 -10.910 -8.106 2.686 1.00 11.13 H new ATOM 0 HG3 ARG A 76 -12.070 -9.153 1.892 1.00 11.13 H new ATOM 0 HD2 ARG A 76 -9.045 -9.168 1.529 1.00 42.34 H new ATOM 0 HD3 ARG A 76 -10.017 -10.408 2.295 1.00 42.34 H new ATOM 0 HE ARG A 76 -10.954 -10.032 -0.385 1.00 32.35 H new ATOM 0 HH11 ARG A 76 -8.263 -11.368 1.411 1.00 63.42 H new ATOM 0 HH12 ARG A 76 -7.841 -12.493 0.116 1.00 63.42 H new ATOM 0 HH21 ARG A 76 -10.397 -11.436 -1.975 1.00 2.35 H new ATOM 0 HH22 ARG A 76 -9.026 -12.530 -1.763 1.00 2.35 H new ATOM 1227 N PRO A 77 -8.893 -6.664 -1.838 1.00 21.45 N ATOM 1228 CA PRO A 77 -8.764 -6.257 -3.245 1.00 71.34 C ATOM 1229 C PRO A 77 -9.906 -6.800 -4.116 1.00 51.34 C ATOM 1230 O PRO A 77 -10.355 -7.934 -3.937 1.00 44.31 O ATOM 1231 CB PRO A 77 -7.422 -6.869 -3.689 1.00 33.41 C ATOM 1232 CG PRO A 77 -6.705 -7.207 -2.427 1.00 52.32 C ATOM 1233 CD PRO A 77 -7.769 -7.514 -1.409 1.00 12.30 C ATOM 0 HA PRO A 77 -8.806 -5.173 -3.352 1.00 71.34 H new ATOM 0 HB2 PRO A 77 -7.579 -7.757 -4.302 1.00 33.41 H new ATOM 0 HB3 PRO A 77 -6.848 -6.164 -4.290 1.00 33.41 H new ATOM 0 HG2 PRO A 77 -6.046 -8.063 -2.571 1.00 52.32 H new ATOM 0 HG3 PRO A 77 -6.081 -6.376 -2.099 1.00 52.32 H new ATOM 0 HD2 PRO A 77 -8.038 -8.570 -1.412 1.00 12.30 H new ATOM 0 HD3 PRO A 77 -7.442 -7.271 -0.398 1.00 12.30 H new ATOM 1241 N GLY A 78 -10.379 -5.986 -5.050 1.00 62.14 N ATOM 1242 CA GLY A 78 -11.423 -6.426 -5.962 1.00 31.55 C ATOM 1243 C GLY A 78 -12.836 -6.113 -5.467 1.00 45.24 C ATOM 1244 O GLY A 78 -13.692 -5.719 -6.258 1.00 23.21 O ATOM 0 H GLY A 78 -10.060 -5.028 -5.195 1.00 62.14 H new ATOM 0 HA2 GLY A 78 -11.272 -5.950 -6.931 1.00 31.55 H new ATOM 0 HA3 GLY A 78 -11.330 -7.501 -6.117 1.00 31.55 H new ATOM 1248 N GLN A 79 -13.065 -6.272 -4.154 1.00 44.30 N ATOM 1249 CA GLN A 79 -14.392 -6.061 -3.537 1.00 4.43 C ATOM 1250 C GLN A 79 -15.049 -4.763 -4.044 1.00 44.01 C ATOM 1251 O GLN A 79 -15.978 -4.801 -4.850 1.00 64.34 O ATOM 1252 CB GLN A 79 -14.247 -6.030 -2.000 1.00 34.04 C ATOM 1253 CG GLN A 79 -15.549 -6.193 -1.204 1.00 21.11 C ATOM 1254 CD GLN A 79 -16.572 -5.091 -1.443 1.00 70.04 C ATOM 1255 OE1 GLN A 79 -17.460 -5.220 -2.279 1.00 64.33 O ATOM 1256 NE2 GLN A 79 -16.443 -3.989 -0.734 1.00 71.31 N ATOM 0 H GLN A 79 -12.342 -6.549 -3.490 1.00 44.30 H new ATOM 0 HA GLN A 79 -15.041 -6.888 -3.823 1.00 4.43 H new ATOM 0 HB2 GLN A 79 -13.560 -6.822 -1.703 1.00 34.04 H new ATOM 0 HB3 GLN A 79 -13.786 -5.084 -1.716 1.00 34.04 H new ATOM 0 HG2 GLN A 79 -15.999 -7.152 -1.459 1.00 21.11 H new ATOM 0 HG3 GLN A 79 -15.310 -6.226 -0.141 1.00 21.11 H new ATOM 0 HE21 GLN A 79 -15.695 -3.910 -0.046 1.00 71.31 H new ATOM 0 HE22 GLN A 79 -17.092 -3.214 -0.873 1.00 71.31 H new ATOM 1265 N ASP A 80 -14.572 -3.618 -3.566 1.00 72.34 N ATOM 1266 CA ASP A 80 -15.062 -2.324 -4.043 1.00 2.02 C ATOM 1267 C ASP A 80 -14.431 -1.966 -5.401 1.00 43.22 C ATOM 1268 O ASP A 80 -14.889 -1.062 -6.100 1.00 43.03 O ATOM 1269 CB ASP A 80 -14.754 -1.236 -3.008 1.00 34.31 C ATOM 1270 CG ASP A 80 -15.392 0.099 -3.363 1.00 5.45 C ATOM 1271 OD1 ASP A 80 -16.624 0.225 -3.221 1.00 65.13 O ATOM 1272 OD2 ASP A 80 -14.671 1.027 -3.784 1.00 31.10 O ATOM 0 H ASP A 80 -13.848 -3.557 -2.850 1.00 72.34 H new ATOM 0 HA ASP A 80 -16.141 -2.390 -4.179 1.00 2.02 H new ATOM 0 HB2 ASP A 80 -15.111 -1.558 -2.030 1.00 34.31 H new ATOM 0 HB3 ASP A 80 -13.674 -1.110 -2.928 1.00 34.31 H new ATOM 1277 N GLY A 81 -13.386 -2.699 -5.772 1.00 2.04 N ATOM 1278 CA GLY A 81 -12.639 -2.402 -6.990 1.00 2.34 C ATOM 1279 C GLY A 81 -11.305 -1.725 -6.702 1.00 51.24 C ATOM 1280 O GLY A 81 -10.353 -1.854 -7.471 1.00 33.24 O ATOM 0 H GLY A 81 -13.037 -3.502 -5.248 1.00 2.04 H new ATOM 0 HA2 GLY A 81 -12.463 -3.327 -7.540 1.00 2.34 H new ATOM 0 HA3 GLY A 81 -13.239 -1.758 -7.633 1.00 2.34 H new ATOM 1284 N VAL A 82 -11.239 -1.010 -5.580 1.00 42.05 N ATOM 1285 CA VAL A 82 -10.019 -0.311 -5.164 1.00 62.24 C ATOM 1286 C VAL A 82 -9.306 -1.062 -4.023 1.00 51.24 C ATOM 1287 O VAL A 82 -9.950 -1.679 -3.174 1.00 2.34 O ATOM 1288 CB VAL A 82 -10.337 1.143 -4.714 1.00 3.23 C ATOM 1289 CG1 VAL A 82 -11.277 1.155 -3.507 1.00 53.25 C ATOM 1290 CG2 VAL A 82 -9.052 1.917 -4.417 1.00 53.25 C ATOM 0 H VAL A 82 -12.022 -0.898 -4.936 1.00 42.05 H new ATOM 0 HA VAL A 82 -9.355 -0.277 -6.028 1.00 62.24 H new ATOM 0 HB VAL A 82 -10.848 1.643 -5.537 1.00 3.23 H new ATOM 0 HG11 VAL A 82 -11.481 2.185 -3.215 1.00 53.25 H new ATOM 0 HG12 VAL A 82 -12.212 0.660 -3.769 1.00 53.25 H new ATOM 0 HG13 VAL A 82 -10.808 0.629 -2.676 1.00 53.25 H new ATOM 0 HG21 VAL A 82 -9.302 2.931 -4.104 1.00 53.25 H new ATOM 0 HG22 VAL A 82 -8.502 1.417 -3.620 1.00 53.25 H new ATOM 0 HG23 VAL A 82 -8.435 1.956 -5.315 1.00 53.25 H new ATOM 1300 N ILE A 83 -7.974 -1.017 -4.021 1.00 11.04 N ATOM 1301 CA ILE A 83 -7.171 -1.667 -2.974 1.00 54.24 C ATOM 1302 C ILE A 83 -6.647 -0.628 -1.966 1.00 70.42 C ATOM 1303 O ILE A 83 -6.325 0.500 -2.336 1.00 70.23 O ATOM 1304 CB ILE A 83 -5.969 -2.437 -3.590 1.00 22.31 C ATOM 1305 CG1 ILE A 83 -6.440 -3.346 -4.742 1.00 50.30 C ATOM 1306 CG2 ILE A 83 -5.247 -3.259 -2.516 1.00 72.01 C ATOM 1307 CD1 ILE A 83 -5.317 -4.084 -5.443 1.00 2.33 C ATOM 0 H ILE A 83 -7.423 -0.537 -4.733 1.00 11.04 H new ATOM 0 HA ILE A 83 -7.818 -2.376 -2.457 1.00 54.24 H new ATOM 0 HB ILE A 83 -5.266 -1.708 -3.994 1.00 22.31 H new ATOM 0 HG12 ILE A 83 -7.150 -4.074 -4.350 1.00 50.30 H new ATOM 0 HG13 ILE A 83 -6.975 -2.741 -5.473 1.00 50.30 H new ATOM 0 HG21 ILE A 83 -4.409 -3.791 -2.967 1.00 72.01 H new ATOM 0 HG22 ILE A 83 -4.877 -2.594 -1.736 1.00 72.01 H new ATOM 0 HG23 ILE A 83 -5.941 -3.978 -2.081 1.00 72.01 H new ATOM 0 HD11 ILE A 83 -5.730 -4.702 -6.240 1.00 2.33 H new ATOM 0 HD12 ILE A 83 -4.617 -3.364 -5.867 1.00 2.33 H new ATOM 0 HD13 ILE A 83 -4.795 -4.718 -4.726 1.00 2.33 H new ATOM 1319 N ASN A 84 -6.561 -1.016 -0.694 1.00 10.11 N ATOM 1320 CA ASN A 84 -6.088 -0.115 0.371 1.00 70.13 C ATOM 1321 C ASN A 84 -4.942 -0.750 1.176 1.00 5.41 C ATOM 1322 O ASN A 84 -4.863 -1.975 1.296 1.00 52.31 O ATOM 1323 CB ASN A 84 -7.247 0.231 1.312 1.00 41.23 C ATOM 1324 CG ASN A 84 -8.364 0.984 0.612 1.00 33.00 C ATOM 1325 OD1 ASN A 84 -9.265 0.389 0.031 1.00 55.44 O ATOM 1326 ND2 ASN A 84 -8.339 2.297 0.696 1.00 61.22 N ATOM 0 H ASN A 84 -6.812 -1.950 -0.370 1.00 10.11 H new ATOM 0 HA ASN A 84 -5.711 0.793 -0.100 1.00 70.13 H new ATOM 0 HB2 ASN A 84 -7.647 -0.687 1.742 1.00 41.23 H new ATOM 0 HB3 ASN A 84 -6.871 0.833 2.139 1.00 41.23 H new ATOM 0 HD21 ASN A 84 -9.083 2.850 0.271 1.00 61.22 H new ATOM 0 HD22 ASN A 84 -7.575 2.762 1.187 1.00 61.22 H new ATOM 1333 N GLY A 85 -4.059 0.088 1.724 1.00 74.22 N ATOM 1334 CA GLY A 85 -2.949 -0.405 2.540 1.00 70.33 C ATOM 1335 C GLY A 85 -2.236 0.701 3.321 1.00 70.53 C ATOM 1336 O GLY A 85 -2.565 1.873 3.176 1.00 11.33 O ATOM 0 H GLY A 85 -4.091 1.102 1.619 1.00 74.22 H new ATOM 0 HA2 GLY A 85 -3.325 -1.151 3.240 1.00 70.33 H new ATOM 0 HA3 GLY A 85 -2.228 -0.908 1.895 1.00 70.33 H new ATOM 1340 N VAL A 86 -1.263 0.325 4.158 1.00 71.24 N ATOM 1341 CA VAL A 86 -0.497 1.303 4.960 1.00 64.22 C ATOM 1342 C VAL A 86 0.928 1.489 4.408 1.00 41.22 C ATOM 1343 O VAL A 86 1.562 0.522 3.979 1.00 24.33 O ATOM 1344 CB VAL A 86 -0.387 0.869 6.448 1.00 71.34 C ATOM 1345 CG1 VAL A 86 0.077 2.033 7.321 1.00 64.14 C ATOM 1346 CG2 VAL A 86 -1.707 0.295 6.953 1.00 43.23 C ATOM 0 H VAL A 86 -0.983 -0.645 4.302 1.00 71.24 H new ATOM 0 HA VAL A 86 -1.045 2.243 4.895 1.00 64.22 H new ATOM 0 HB VAL A 86 0.363 0.080 6.513 1.00 71.34 H new ATOM 0 HG11 VAL A 86 0.146 1.705 8.358 1.00 64.14 H new ATOM 0 HG12 VAL A 86 1.055 2.375 6.982 1.00 64.14 H new ATOM 0 HG13 VAL A 86 -0.639 2.852 7.247 1.00 64.14 H new ATOM 0 HG21 VAL A 86 -1.600 -0.000 7.997 1.00 43.23 H new ATOM 0 HG22 VAL A 86 -2.488 1.050 6.868 1.00 43.23 H new ATOM 0 HG23 VAL A 86 -1.977 -0.576 6.356 1.00 43.23 H new ATOM 1356 N LEU A 87 1.434 2.725 4.438 1.00 3.12 N ATOM 1357 CA LEU A 87 2.791 3.021 3.952 1.00 15.11 C ATOM 1358 C LEU A 87 3.860 2.570 4.960 1.00 62.44 C ATOM 1359 O LEU A 87 3.951 3.095 6.069 1.00 22.45 O ATOM 1360 CB LEU A 87 2.946 4.522 3.664 1.00 53.30 C ATOM 1361 CG LEU A 87 4.299 4.941 3.054 1.00 74.04 C ATOM 1362 CD1 LEU A 87 4.574 4.178 1.758 1.00 34.24 C ATOM 1363 CD2 LEU A 87 4.331 6.448 2.806 1.00 1.33 C ATOM 0 H LEU A 87 0.929 3.537 4.792 1.00 3.12 H new ATOM 0 HA LEU A 87 2.937 2.462 3.027 1.00 15.11 H new ATOM 0 HB2 LEU A 87 2.150 4.829 2.986 1.00 53.30 H new ATOM 0 HB3 LEU A 87 2.801 5.070 4.595 1.00 53.30 H new ATOM 0 HG LEU A 87 5.084 4.691 3.767 1.00 74.04 H new ATOM 0 HD11 LEU A 87 5.534 4.492 1.348 1.00 34.24 H new ATOM 0 HD12 LEU A 87 4.600 3.108 1.964 1.00 34.24 H new ATOM 0 HD13 LEU A 87 3.785 4.390 1.037 1.00 34.24 H new ATOM 0 HD21 LEU A 87 5.293 6.726 2.375 1.00 1.33 H new ATOM 0 HD22 LEU A 87 3.532 6.720 2.116 1.00 1.33 H new ATOM 0 HD23 LEU A 87 4.190 6.975 3.750 1.00 1.33 H new ATOM 1375 N ILE A 88 4.660 1.588 4.564 1.00 44.34 N ATOM 1376 CA ILE A 88 5.723 1.042 5.412 1.00 4.01 C ATOM 1377 C ILE A 88 7.039 0.902 4.631 1.00 64.02 C ATOM 1378 O ILE A 88 7.109 1.206 3.438 1.00 1.20 O ATOM 1379 CB ILE A 88 5.319 -0.338 5.991 1.00 51.35 C ATOM 1380 CG1 ILE A 88 5.100 -1.344 4.847 1.00 45.22 C ATOM 1381 CG2 ILE A 88 4.066 -0.209 6.862 1.00 5.23 C ATOM 1382 CD1 ILE A 88 4.446 -2.641 5.273 1.00 61.35 C ATOM 0 H ILE A 88 4.594 1.145 3.648 1.00 44.34 H new ATOM 0 HA ILE A 88 5.872 1.743 6.233 1.00 4.01 H new ATOM 0 HB ILE A 88 6.126 -0.708 6.623 1.00 51.35 H new ATOM 0 HG12 ILE A 88 4.484 -0.875 4.080 1.00 45.22 H new ATOM 0 HG13 ILE A 88 6.063 -1.570 4.389 1.00 45.22 H new ATOM 0 HG21 ILE A 88 3.797 -1.188 7.260 1.00 5.23 H new ATOM 0 HG22 ILE A 88 4.265 0.476 7.686 1.00 5.23 H new ATOM 0 HG23 ILE A 88 3.243 0.177 6.260 1.00 5.23 H new ATOM 0 HD11 ILE A 88 4.329 -3.291 4.406 1.00 61.35 H new ATOM 0 HD12 ILE A 88 5.070 -3.136 6.017 1.00 61.35 H new ATOM 0 HD13 ILE A 88 3.467 -2.431 5.703 1.00 61.35 H new ATOM 1394 N ARG A 89 8.083 0.430 5.304 1.00 52.10 N ATOM 1395 CA ARG A 89 9.418 0.312 4.693 1.00 32.55 C ATOM 1396 C ARG A 89 10.108 -1.003 5.108 1.00 21.23 C ATOM 1397 O ARG A 89 11.332 -1.064 5.212 1.00 62.43 O ATOM 1398 CB ARG A 89 10.300 1.514 5.102 1.00 12.32 C ATOM 1399 CG ARG A 89 9.704 2.888 4.777 1.00 21.23 C ATOM 1400 CD ARG A 89 9.593 3.143 3.274 1.00 30.43 C ATOM 1401 NE ARG A 89 10.900 3.281 2.630 1.00 52.20 N ATOM 1402 CZ ARG A 89 11.106 3.945 1.520 1.00 12.25 C ATOM 1403 NH1 ARG A 89 10.125 4.510 0.891 1.00 33.25 N ATOM 1404 NH2 ARG A 89 12.300 4.039 1.037 1.00 50.24 N ATOM 0 H ARG A 89 8.038 0.120 6.275 1.00 52.10 H new ATOM 0 HA ARG A 89 9.291 0.307 3.610 1.00 32.55 H new ATOM 0 HB2 ARG A 89 10.489 1.460 6.174 1.00 12.32 H new ATOM 0 HB3 ARG A 89 11.265 1.425 4.603 1.00 12.32 H new ATOM 0 HG2 ARG A 89 8.715 2.966 5.229 1.00 21.23 H new ATOM 0 HG3 ARG A 89 10.323 3.664 5.228 1.00 21.23 H new ATOM 0 HD2 ARG A 89 9.048 2.322 2.809 1.00 30.43 H new ATOM 0 HD3 ARG A 89 9.011 4.049 3.105 1.00 30.43 H new ATOM 0 HE ARG A 89 11.701 2.832 3.074 1.00 52.20 H new ATOM 0 HH11 ARG A 89 9.176 4.441 1.259 1.00 33.25 H new ATOM 0 HH12 ARG A 89 10.301 5.024 0.028 1.00 33.25 H new ATOM 0 HH21 ARG A 89 13.082 3.596 1.520 1.00 50.24 H new ATOM 0 HH22 ARG A 89 12.461 4.556 0.173 1.00 50.24 H new ATOM 1418 N GLU A 90 9.317 -2.058 5.324 1.00 32.41 N ATOM 1419 CA GLU A 90 9.847 -3.347 5.800 1.00 62.12 C ATOM 1420 C GLU A 90 10.887 -3.957 4.841 1.00 11.34 C ATOM 1421 O GLU A 90 11.994 -4.297 5.264 1.00 73.21 O ATOM 1422 CB GLU A 90 8.704 -4.336 6.047 1.00 62.22 C ATOM 1423 CG GLU A 90 7.796 -3.940 7.210 1.00 74.13 C ATOM 1424 CD GLU A 90 6.777 -5.011 7.556 1.00 13.13 C ATOM 1425 OE1 GLU A 90 7.158 -6.009 8.201 1.00 12.44 O ATOM 1426 OE2 GLU A 90 5.593 -4.853 7.196 1.00 33.02 O ATOM 0 H GLU A 90 8.308 -2.049 5.178 1.00 32.41 H new ATOM 0 HA GLU A 90 10.363 -3.148 6.739 1.00 62.12 H new ATOM 0 HB2 GLU A 90 8.104 -4.420 5.141 1.00 62.22 H new ATOM 0 HB3 GLU A 90 9.124 -5.322 6.244 1.00 62.22 H new ATOM 0 HG2 GLU A 90 8.408 -3.731 8.087 1.00 74.13 H new ATOM 0 HG3 GLU A 90 7.274 -3.017 6.959 1.00 74.13 H new ATOM 1433 N LEU A 91 10.536 -4.116 3.565 1.00 21.20 N ATOM 1434 CA LEU A 91 11.523 -4.549 2.563 1.00 0.25 C ATOM 1435 C LEU A 91 12.610 -3.476 2.407 1.00 71.42 C ATOM 1436 O LEU A 91 12.325 -2.280 2.509 1.00 60.24 O ATOM 1437 CB LEU A 91 10.859 -4.840 1.206 1.00 23.22 C ATOM 1438 CG LEU A 91 9.925 -6.065 1.173 1.00 12.51 C ATOM 1439 CD1 LEU A 91 9.306 -6.242 -0.212 1.00 12.12 C ATOM 1440 CD2 LEU A 91 10.674 -7.331 1.590 1.00 44.21 C ATOM 0 H LEU A 91 9.597 -3.957 3.201 1.00 21.20 H new ATOM 0 HA LEU A 91 11.978 -5.476 2.912 1.00 0.25 H new ATOM 0 HB2 LEU A 91 10.288 -3.962 0.905 1.00 23.22 H new ATOM 0 HB3 LEU A 91 11.642 -4.982 0.461 1.00 23.22 H new ATOM 0 HG LEU A 91 9.120 -5.891 1.887 1.00 12.51 H new ATOM 0 HD11 LEU A 91 8.651 -7.113 -0.209 1.00 12.12 H new ATOM 0 HD12 LEU A 91 8.728 -5.354 -0.468 1.00 12.12 H new ATOM 0 HD13 LEU A 91 10.097 -6.385 -0.948 1.00 12.12 H new ATOM 0 HD21 LEU A 91 9.994 -8.183 1.559 1.00 44.21 H new ATOM 0 HD22 LEU A 91 11.504 -7.504 0.906 1.00 44.21 H new ATOM 0 HD23 LEU A 91 11.058 -7.210 2.603 1.00 44.21 H new ATOM 1452 N GLU A 92 13.847 -3.900 2.153 1.00 31.42 N ATOM 1453 CA GLU A 92 14.994 -2.985 2.180 1.00 22.31 C ATOM 1454 C GLU A 92 14.824 -1.827 1.173 1.00 61.04 C ATOM 1455 O GLU A 92 15.084 -1.973 -0.026 1.00 44.44 O ATOM 1456 CB GLU A 92 16.301 -3.759 1.916 1.00 41.32 C ATOM 1457 CG GLU A 92 17.544 -3.142 2.567 1.00 40.44 C ATOM 1458 CD GLU A 92 17.953 -1.803 1.968 1.00 72.34 C ATOM 1459 OE1 GLU A 92 17.453 -0.753 2.427 1.00 3.52 O ATOM 1460 OE2 GLU A 92 18.790 -1.796 1.039 1.00 71.14 O ATOM 0 H GLU A 92 14.083 -4.866 1.927 1.00 31.42 H new ATOM 0 HA GLU A 92 15.046 -2.541 3.174 1.00 22.31 H new ATOM 0 HB2 GLU A 92 16.184 -4.780 2.279 1.00 41.32 H new ATOM 0 HB3 GLU A 92 16.462 -3.820 0.840 1.00 41.32 H new ATOM 0 HG2 GLU A 92 17.357 -3.010 3.633 1.00 40.44 H new ATOM 0 HG3 GLU A 92 18.376 -3.840 2.473 1.00 40.44 H new ATOM 1467 N HIS A 93 14.350 -0.686 1.678 1.00 5.13 N ATOM 1468 CA HIS A 93 14.189 0.539 0.885 1.00 55.43 C ATOM 1469 C HIS A 93 14.502 1.781 1.735 1.00 50.45 C ATOM 1470 O HIS A 93 13.652 2.250 2.497 1.00 1.44 O ATOM 1471 CB HIS A 93 12.759 0.649 0.326 1.00 43.35 C ATOM 1472 CG HIS A 93 12.475 -0.271 -0.819 1.00 51.31 C ATOM 1473 ND1 HIS A 93 12.711 0.079 -2.130 1.00 4.14 N ATOM 1474 CD2 HIS A 93 11.959 -1.524 -0.855 1.00 53.32 C ATOM 1475 CE1 HIS A 93 12.352 -0.906 -2.920 1.00 4.31 C ATOM 1476 NE2 HIS A 93 11.896 -1.891 -2.176 1.00 14.11 N ATOM 0 H HIS A 93 14.065 -0.583 2.652 1.00 5.13 H new ATOM 0 HA HIS A 93 14.891 0.488 0.053 1.00 55.43 H new ATOM 0 HB2 HIS A 93 12.051 0.442 1.128 1.00 43.35 H new ATOM 0 HB3 HIS A 93 12.585 1.676 0.004 1.00 43.35 H new ATOM 0 HD2 HIS A 93 11.656 -2.119 -0.007 1.00 53.32 H new ATOM 0 HE1 HIS A 93 12.419 -0.908 -3.998 1.00 4.31 H new ATOM 0 HE2 HIS A 93 11.551 -2.785 -2.525 1.00 14.11 H new ATOM 1485 N HIS A 94 15.714 2.314 1.597 1.00 64.34 N ATOM 1486 CA HIS A 94 16.139 3.489 2.374 1.00 74.43 C ATOM 1487 C HIS A 94 15.305 4.733 2.029 1.00 33.41 C ATOM 1488 O HIS A 94 15.332 5.211 0.896 1.00 24.55 O ATOM 1489 CB HIS A 94 17.626 3.784 2.137 1.00 22.21 C ATOM 1490 CG HIS A 94 18.540 2.689 2.599 1.00 32.25 C ATOM 1491 ND1 HIS A 94 18.879 2.501 3.920 1.00 21.11 N ATOM 1492 CD2 HIS A 94 19.190 1.722 1.911 1.00 15.15 C ATOM 1493 CE1 HIS A 94 19.690 1.470 4.024 1.00 3.53 C ATOM 1494 NE2 HIS A 94 19.897 0.975 2.822 1.00 74.43 N ATOM 0 H HIS A 94 16.422 1.956 0.957 1.00 64.34 H new ATOM 0 HA HIS A 94 15.979 3.253 3.426 1.00 74.43 H new ATOM 0 HB2 HIS A 94 17.788 3.955 1.073 1.00 22.21 H new ATOM 0 HB3 HIS A 94 17.891 4.707 2.652 1.00 22.21 H new ATOM 0 HD2 HIS A 94 19.159 1.566 0.843 1.00 15.15 H new ATOM 0 HE1 HIS A 94 20.115 1.093 4.942 1.00 3.53 H new ATOM 0 HE2 HIS A 94 20.485 0.171 2.603 1.00 74.43 H new ATOM 1503 N HIS A 95 14.554 5.245 3.006 1.00 4.43 N ATOM 1504 CA HIS A 95 13.788 6.487 2.821 1.00 75.31 C ATOM 1505 C HIS A 95 14.732 7.700 2.760 1.00 64.25 C ATOM 1506 O HIS A 95 14.356 8.782 2.316 1.00 51.15 O ATOM 1507 CB HIS A 95 12.758 6.655 3.949 1.00 62.54 C ATOM 1508 CG HIS A 95 13.353 6.934 5.300 1.00 64.43 C ATOM 1509 ND1 HIS A 95 13.869 5.954 6.124 1.00 3.14 N ATOM 1510 CD2 HIS A 95 13.503 8.099 5.975 1.00 5.14 C ATOM 1511 CE1 HIS A 95 14.306 6.503 7.240 1.00 71.05 C ATOM 1512 NE2 HIS A 95 14.096 7.802 7.174 1.00 23.21 N ATOM 0 H HIS A 95 14.458 4.824 3.930 1.00 4.43 H new ATOM 0 HA HIS A 95 13.252 6.425 1.874 1.00 75.31 H new ATOM 0 HB2 HIS A 95 12.082 7.470 3.688 1.00 62.54 H new ATOM 0 HB3 HIS A 95 12.155 5.749 4.012 1.00 62.54 H new ATOM 0 HD2 HIS A 95 13.210 9.080 5.632 1.00 5.14 H new ATOM 0 HE1 HIS A 95 14.759 5.977 8.068 1.00 71.05 H new ATOM 0 HE2 HIS A 95 14.336 8.478 7.899 1.00 23.21 H new ATOM 1521 N HIS A 96 15.957 7.493 3.232 1.00 0.45 N ATOM 1522 CA HIS A 96 17.030 8.484 3.141 1.00 3.14 C ATOM 1523 C HIS A 96 18.293 7.815 2.583 1.00 33.10 C ATOM 1524 O HIS A 96 18.759 6.815 3.128 1.00 41.32 O ATOM 1525 CB HIS A 96 17.320 9.081 4.527 1.00 2.34 C ATOM 1526 CG HIS A 96 18.397 10.127 4.541 1.00 31.30 C ATOM 1527 ND1 HIS A 96 19.732 9.841 4.336 1.00 52.31 N ATOM 1528 CD2 HIS A 96 18.332 11.464 4.753 1.00 71.04 C ATOM 1529 CE1 HIS A 96 20.436 10.952 4.421 1.00 71.41 C ATOM 1530 NE2 HIS A 96 19.615 11.949 4.674 1.00 20.31 N ATOM 0 H HIS A 96 16.238 6.627 3.692 1.00 0.45 H new ATOM 0 HA HIS A 96 16.721 9.289 2.474 1.00 3.14 H new ATOM 0 HB2 HIS A 96 16.402 9.518 4.920 1.00 2.34 H new ATOM 0 HB3 HIS A 96 17.605 8.275 5.203 1.00 2.34 H new ATOM 0 HD1 HIS A 96 20.114 8.914 4.148 1.00 52.31 H new ATOM 0 HD2 HIS A 96 17.439 12.040 4.948 1.00 71.04 H new ATOM 0 HE1 HIS A 96 21.507 11.031 4.303 1.00 71.41 H new ATOM 1539 N HIS A 97 18.845 8.367 1.509 1.00 30.51 N ATOM 1540 CA HIS A 97 20.017 7.776 0.852 1.00 12.45 C ATOM 1541 C HIS A 97 21.178 7.556 1.835 1.00 55.33 C ATOM 1542 O HIS A 97 21.532 8.455 2.604 1.00 21.24 O ATOM 1543 CB HIS A 97 20.472 8.655 -0.318 1.00 73.44 C ATOM 1544 CG HIS A 97 19.420 8.834 -1.368 1.00 73.40 C ATOM 1545 ND1 HIS A 97 18.857 10.051 -1.668 1.00 61.03 N ATOM 1546 CD2 HIS A 97 18.828 7.937 -2.191 1.00 21.14 C ATOM 1547 CE1 HIS A 97 17.966 9.900 -2.623 1.00 73.25 C ATOM 1548 NE2 HIS A 97 17.928 8.628 -2.962 1.00 71.14 N ATOM 0 H HIS A 97 18.504 9.223 1.071 1.00 30.51 H new ATOM 0 HA HIS A 97 19.719 6.799 0.472 1.00 12.45 H new ATOM 0 HB2 HIS A 97 20.765 9.633 0.064 1.00 73.44 H new ATOM 0 HB3 HIS A 97 21.358 8.212 -0.773 1.00 73.44 H new ATOM 0 HD2 HIS A 97 19.027 6.876 -2.233 1.00 21.14 H new ATOM 0 HE1 HIS A 97 17.366 10.687 -3.056 1.00 73.25 H new ATOM 0 HE2 HIS A 97 17.328 8.223 -3.680 1.00 71.14 H new ATOM 1557 N HIS A 98 21.758 6.351 1.806 1.00 71.03 N ATOM 1558 CA HIS A 98 22.855 5.981 2.720 1.00 60.02 C ATOM 1559 C HIS A 98 24.117 6.856 2.519 1.00 51.31 C ATOM 1560 O HIS A 98 24.337 7.789 3.328 1.00 39.11 O ATOM 1561 CB HIS A 98 23.186 4.475 2.592 1.00 23.23 C ATOM 1562 CG HIS A 98 23.376 3.979 1.184 1.00 0.35 C ATOM 1563 ND1 HIS A 98 24.482 4.281 0.421 1.00 4.13 N ATOM 1564 CD2 HIS A 98 22.603 3.180 0.409 1.00 60.20 C ATOM 1565 CE1 HIS A 98 24.383 3.696 -0.753 1.00 11.33 C ATOM 1566 NE2 HIS A 98 23.255 3.021 -0.788 1.00 50.40 N ATOM 1567 OXT HIS A 98 24.871 6.626 1.549 1.00 39.11 O ATOM 0 H HIS A 98 21.488 5.610 1.159 1.00 71.03 H new ATOM 0 HA HIS A 98 22.507 6.173 3.735 1.00 60.02 H new ATOM 0 HB2 HIS A 98 24.094 4.269 3.158 1.00 23.23 H new ATOM 0 HB3 HIS A 98 22.384 3.902 3.057 1.00 23.23 H new ATOM 0 HD1 HIS A 98 25.260 4.869 0.721 1.00 4.13 H new ATOM 0 HD2 HIS A 98 21.651 2.749 0.682 1.00 60.20 H new ATOM 0 HE1 HIS A 98 25.106 3.759 -1.553 1.00 11.33 H new TER 1576 HIS A 98