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 32 THR OG1 : rot 125:sc= 1.04 USER MOD Set 1.2: A 34 LYS NZ :NH3+ 133:sc= 1.45 (180deg=-0.957) USER MOD Set 2.1: A 23 THR OG1 : rot 170:sc= 0 USER MOD Set 2.2: A 56 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 1 GLY N :NH3+ 175:sc=-0.00861 (180deg=-0.0397) USER MOD Single : A 10 THR OG1 : rot 47:sc= 0.544 USER MOD Single : A 14 ASN : amide:sc= -0.721 K(o=-0.72,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= -0.0141 (180deg=-0.158) USER MOD Single : A 21 SER OG : rot -64:sc= 1.14 USER MOD Single : A 26 ASN : amide:sc= -2.41! K(o=-2.4!,f=-0.094) USER MOD Single : A 42 ASN : amide:sc= -2.04! C(o=-2!,f=-13!) USER MOD Single : A 46 ASN : amide:sc= -0.551 K(o=-0.55,f=-4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.107 K(o=-0.11,f=-0.68) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 66 THR OG1 : rot -51:sc= 1.35 USER MOD Single : A 67 ASN : amide:sc= 0.29 K(o=0.29,f=-7.2!) USER MOD Single : A 70 ASN : amide:sc= -1.71 K(o=-1.7,f=-9.7!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -1.84! K(o=-1.8!,f=-0.42) USER MOD Single : A 84 ASN : amide:sc= -1.23 K(o=-1.2,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HE2:sc= -0.306 K(o=-0.31,f=-2) USER MOD Single : A 95 HIS : no HD1:sc= -0.0407 X(o=-0.041,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.962 29.731 -36.706 1.00 42.54 N ATOM 2 CA GLY A 1 1.756 30.242 -35.552 1.00 53.42 C ATOM 3 C GLY A 1 0.939 31.098 -34.589 1.00 13.15 C ATOM 4 O GLY A 1 1.463 32.026 -33.974 1.00 20.12 O ATOM 0 H1 GLY A 1 1.591 29.229 -37.365 1.00 42.54 H new ATOM 0 H2 GLY A 1 0.230 29.078 -36.361 1.00 42.54 H new ATOM 0 H3 GLY A 1 0.511 30.529 -37.197 1.00 42.54 H new ATOM 0 HA2 GLY A 1 2.178 29.397 -35.008 1.00 53.42 H new ATOM 0 HA3 GLY A 1 2.594 30.829 -35.928 1.00 53.42 H new ATOM 10 N ASP A 2 -0.350 30.793 -34.451 1.00 73.52 N ATOM 11 CA ASP A 2 -1.229 31.541 -33.548 1.00 3.13 C ATOM 12 C ASP A 2 -1.603 30.705 -32.318 1.00 50.23 C ATOM 13 O ASP A 2 -2.060 29.567 -32.434 1.00 4.31 O ATOM 14 CB ASP A 2 -2.480 32.002 -34.301 1.00 35.00 C ATOM 15 CG ASP A 2 -2.124 32.930 -35.448 1.00 40.25 C ATOM 16 OD1 ASP A 2 -1.689 34.071 -35.181 1.00 75.41 O ATOM 17 OD2 ASP A 2 -2.247 32.519 -36.619 1.00 30.31 O ATOM 0 H ASP A 2 -0.811 30.033 -34.952 1.00 73.52 H new ATOM 0 HA ASP A 2 -0.692 32.420 -33.192 1.00 3.13 H new ATOM 0 HB2 ASP A 2 -3.016 31.134 -34.686 1.00 35.00 H new ATOM 0 HB3 ASP A 2 -3.153 32.513 -33.613 1.00 35.00 H new ATOM 22 N ARG A 3 -1.412 31.288 -31.138 1.00 63.01 N ATOM 23 CA ARG A 3 -1.576 30.570 -29.870 1.00 11.35 C ATOM 24 C ARG A 3 -3.051 30.510 -29.435 1.00 62.22 C ATOM 25 O ARG A 3 -3.640 31.515 -29.027 1.00 63.00 O ATOM 26 CB ARG A 3 -0.714 31.239 -28.785 1.00 4.31 C ATOM 27 CG ARG A 3 0.710 30.683 -28.660 1.00 71.20 C ATOM 28 CD ARG A 3 1.393 30.458 -30.011 1.00 12.33 C ATOM 29 NE ARG A 3 1.394 31.653 -30.860 1.00 20.21 N ATOM 30 CZ ARG A 3 2.348 32.547 -30.885 1.00 3.30 C ATOM 31 NH1 ARG A 3 3.339 32.476 -30.056 1.00 12.00 N ATOM 32 NH2 ARG A 3 2.293 33.525 -31.732 1.00 24.12 N ATOM 0 H ARG A 3 -1.141 32.265 -31.030 1.00 63.01 H new ATOM 0 HA ARG A 3 -1.243 29.542 -30.013 1.00 11.35 H new ATOM 0 HB2 ARG A 3 -0.655 32.307 -28.995 1.00 4.31 H new ATOM 0 HB3 ARG A 3 -1.217 31.131 -27.824 1.00 4.31 H new ATOM 0 HG2 ARG A 3 1.311 31.373 -28.067 1.00 71.20 H new ATOM 0 HG3 ARG A 3 0.678 29.739 -28.115 1.00 71.20 H new ATOM 0 HD2 ARG A 3 2.421 30.138 -29.843 1.00 12.33 H new ATOM 0 HD3 ARG A 3 0.889 29.647 -30.536 1.00 12.33 H new ATOM 0 HE ARG A 3 0.593 31.797 -31.475 1.00 20.21 H new ATOM 0 HH11 ARG A 3 3.381 31.718 -29.375 1.00 12.00 H new ATOM 0 HH12 ARG A 3 4.078 33.178 -30.084 1.00 12.00 H new ATOM 0 HH21 ARG A 3 1.507 33.597 -32.378 1.00 24.12 H new ATOM 0 HH22 ARG A 3 3.036 34.224 -31.753 1.00 24.12 H new ATOM 46 N ARG A 4 -3.634 29.316 -29.530 1.00 72.21 N ATOM 47 CA ARG A 4 -5.030 29.080 -29.141 1.00 74.11 C ATOM 48 C ARG A 4 -5.154 27.762 -28.365 1.00 43.21 C ATOM 49 O ARG A 4 -5.212 26.682 -28.960 1.00 62.35 O ATOM 50 CB ARG A 4 -5.933 29.049 -30.386 1.00 51.41 C ATOM 51 CG ARG A 4 -5.975 30.370 -31.148 1.00 40.33 C ATOM 52 CD ARG A 4 -6.755 30.255 -32.454 1.00 12.21 C ATOM 53 NE ARG A 4 -6.863 31.543 -33.135 1.00 22.52 N ATOM 54 CZ ARG A 4 -6.857 31.703 -34.428 1.00 42.54 C ATOM 55 NH1 ARG A 4 -6.699 30.696 -35.225 1.00 52.32 N ATOM 56 NH2 ARG A 4 -6.994 32.885 -34.925 1.00 24.32 N ATOM 0 H ARG A 4 -3.156 28.485 -29.878 1.00 72.21 H new ATOM 0 HA ARG A 4 -5.352 29.897 -28.495 1.00 74.11 H new ATOM 0 HB2 ARG A 4 -5.584 28.264 -31.057 1.00 51.41 H new ATOM 0 HB3 ARG A 4 -6.946 28.783 -30.083 1.00 51.41 H new ATOM 0 HG2 ARG A 4 -6.431 31.136 -30.520 1.00 40.33 H new ATOM 0 HG3 ARG A 4 -4.957 30.697 -31.362 1.00 40.33 H new ATOM 0 HD2 ARG A 4 -6.263 29.537 -33.110 1.00 12.21 H new ATOM 0 HD3 ARG A 4 -7.753 29.867 -32.249 1.00 12.21 H new ATOM 0 HE ARG A 4 -6.949 32.378 -32.556 1.00 22.52 H new ATOM 0 HH11 ARG A 4 -6.576 29.758 -34.844 1.00 52.32 H new ATOM 0 HH12 ARG A 4 -6.697 30.840 -36.235 1.00 52.32 H new ATOM 0 HH21 ARG A 4 -7.106 33.688 -34.307 1.00 24.32 H new ATOM 0 HH22 ARG A 4 -6.990 33.017 -35.936 1.00 24.32 H new ATOM 70 N VAL A 5 -5.184 27.850 -27.037 1.00 74.53 N ATOM 71 CA VAL A 5 -5.182 26.657 -26.177 1.00 4.03 C ATOM 72 C VAL A 5 -6.579 26.333 -25.623 1.00 2.42 C ATOM 73 O VAL A 5 -7.484 27.167 -25.646 1.00 1.41 O ATOM 74 CB VAL A 5 -4.191 26.822 -24.998 1.00 1.14 C ATOM 75 CG1 VAL A 5 -2.759 26.995 -25.511 1.00 53.42 C ATOM 76 CG2 VAL A 5 -4.598 27.998 -24.112 1.00 23.42 C ATOM 0 H VAL A 5 -5.210 28.733 -26.528 1.00 74.53 H new ATOM 0 HA VAL A 5 -4.864 25.826 -26.808 1.00 4.03 H new ATOM 0 HB VAL A 5 -4.225 25.915 -24.395 1.00 1.14 H new ATOM 0 HG11 VAL A 5 -2.081 27.109 -24.665 1.00 53.42 H new ATOM 0 HG12 VAL A 5 -2.472 26.118 -26.091 1.00 53.42 H new ATOM 0 HG13 VAL A 5 -2.703 27.882 -26.143 1.00 53.42 H new ATOM 0 HG21 VAL A 5 -3.889 28.097 -23.290 1.00 23.42 H new ATOM 0 HG22 VAL A 5 -4.599 28.915 -24.702 1.00 23.42 H new ATOM 0 HG23 VAL A 5 -5.596 27.823 -23.711 1.00 23.42 H new ATOM 86 N ARG A 6 -6.744 25.110 -25.122 1.00 52.31 N ATOM 87 CA ARG A 6 -8.020 24.671 -24.548 1.00 61.43 C ATOM 88 C ARG A 6 -8.121 25.065 -23.066 1.00 63.50 C ATOM 89 O ARG A 6 -7.729 24.303 -22.180 1.00 32.14 O ATOM 90 CB ARG A 6 -8.181 23.152 -24.709 1.00 62.31 C ATOM 91 CG ARG A 6 -8.215 22.689 -26.162 1.00 54.40 C ATOM 92 CD ARG A 6 -8.336 21.174 -26.268 1.00 33.01 C ATOM 93 NE ARG A 6 -8.394 20.720 -27.654 1.00 35.41 N ATOM 94 CZ ARG A 6 -8.261 19.478 -28.029 1.00 33.45 C ATOM 95 NH1 ARG A 6 -7.997 18.548 -27.168 1.00 72.52 N ATOM 96 NH2 ARG A 6 -8.373 19.171 -29.278 1.00 11.34 N ATOM 0 H ARG A 6 -6.010 24.402 -25.101 1.00 52.31 H new ATOM 0 HA ARG A 6 -8.826 25.170 -25.087 1.00 61.43 H new ATOM 0 HB2 ARG A 6 -7.359 22.652 -24.197 1.00 62.31 H new ATOM 0 HB3 ARG A 6 -9.101 22.839 -24.216 1.00 62.31 H new ATOM 0 HG2 ARG A 6 -9.055 23.158 -26.674 1.00 54.40 H new ATOM 0 HG3 ARG A 6 -7.309 23.018 -26.670 1.00 54.40 H new ATOM 0 HD2 ARG A 6 -7.486 20.708 -25.770 1.00 33.01 H new ATOM 0 HD3 ARG A 6 -9.232 20.845 -25.742 1.00 33.01 H new ATOM 0 HE ARG A 6 -8.549 21.421 -28.378 1.00 35.41 H new ATOM 0 HH11 ARG A 6 -7.890 18.782 -26.181 1.00 72.52 H new ATOM 0 HH12 ARG A 6 -7.896 17.581 -27.477 1.00 72.52 H new ATOM 0 HH21 ARG A 6 -8.565 19.898 -29.967 1.00 11.34 H new ATOM 0 HH22 ARG A 6 -8.270 18.201 -29.576 1.00 11.34 H new ATOM 110 N LEU A 7 -8.630 26.270 -22.808 1.00 55.50 N ATOM 111 CA LEU A 7 -8.795 26.778 -21.437 1.00 63.03 C ATOM 112 C LEU A 7 -9.786 25.926 -20.617 1.00 2.04 C ATOM 113 O LEU A 7 -9.759 25.939 -19.385 1.00 34.32 O ATOM 114 CB LEU A 7 -9.260 28.248 -21.457 1.00 13.40 C ATOM 115 CG LEU A 7 -10.712 28.506 -21.929 1.00 65.24 C ATOM 116 CD1 LEU A 7 -11.099 29.965 -21.699 1.00 0.53 C ATOM 117 CD2 LEU A 7 -10.899 28.137 -23.401 1.00 75.03 C ATOM 0 H LEU A 7 -8.938 26.919 -23.532 1.00 55.50 H new ATOM 0 HA LEU A 7 -7.821 26.713 -20.953 1.00 63.03 H new ATOM 0 HB2 LEU A 7 -9.151 28.654 -20.451 1.00 13.40 H new ATOM 0 HB3 LEU A 7 -8.586 28.810 -22.103 1.00 13.40 H new ATOM 0 HG LEU A 7 -11.368 27.867 -21.337 1.00 65.24 H new ATOM 0 HD11 LEU A 7 -12.123 30.128 -22.037 1.00 0.53 H new ATOM 0 HD12 LEU A 7 -11.026 30.198 -20.637 1.00 0.53 H new ATOM 0 HD13 LEU A 7 -10.425 30.613 -22.259 1.00 0.53 H new ATOM 0 HD21 LEU A 7 -11.930 28.331 -23.697 1.00 75.03 H new ATOM 0 HD22 LEU A 7 -10.226 28.736 -24.015 1.00 75.03 H new ATOM 0 HD23 LEU A 7 -10.674 27.080 -23.542 1.00 75.03 H new ATOM 129 N ILE A 8 -10.662 25.200 -21.306 1.00 44.33 N ATOM 130 CA ILE A 8 -11.644 24.335 -20.646 1.00 15.32 C ATOM 131 C ILE A 8 -11.138 22.878 -20.551 1.00 62.24 C ATOM 132 O ILE A 8 -11.051 22.162 -21.550 1.00 14.53 O ATOM 133 CB ILE A 8 -13.016 24.383 -21.379 1.00 44.23 C ATOM 134 CG1 ILE A 8 -14.034 23.443 -20.706 1.00 21.55 C ATOM 135 CG2 ILE A 8 -12.862 24.050 -22.865 1.00 22.40 C ATOM 136 CD1 ILE A 8 -14.351 23.798 -19.266 1.00 14.14 C ATOM 0 H ILE A 8 -10.714 25.192 -22.325 1.00 44.33 H new ATOM 0 HA ILE A 8 -11.780 24.714 -19.633 1.00 15.32 H new ATOM 0 HB ILE A 8 -13.397 25.401 -21.304 1.00 44.23 H new ATOM 0 HG12 ILE A 8 -14.959 23.454 -21.283 1.00 21.55 H new ATOM 0 HG13 ILE A 8 -13.649 22.424 -20.741 1.00 21.55 H new ATOM 0 HG21 ILE A 8 -13.837 24.092 -23.350 1.00 22.40 H new ATOM 0 HG22 ILE A 8 -12.193 24.773 -23.332 1.00 22.40 H new ATOM 0 HG23 ILE A 8 -12.446 23.048 -22.972 1.00 22.40 H new ATOM 0 HD11 ILE A 8 -15.075 23.088 -18.867 1.00 14.14 H new ATOM 0 HD12 ILE A 8 -13.438 23.758 -18.672 1.00 14.14 H new ATOM 0 HD13 ILE A 8 -14.768 24.804 -19.223 1.00 14.14 H new ATOM 148 N ARG A 9 -10.790 22.446 -19.339 1.00 11.32 N ATOM 149 CA ARG A 9 -10.269 21.088 -19.123 1.00 42.40 C ATOM 150 C ARG A 9 -11.371 20.101 -18.681 1.00 72.01 C ATOM 151 O ARG A 9 -11.503 19.769 -17.505 1.00 22.14 O ATOM 152 CB ARG A 9 -9.078 21.101 -18.129 1.00 44.25 C ATOM 153 CG ARG A 9 -9.195 22.080 -16.946 1.00 74.25 C ATOM 154 CD ARG A 9 -10.236 21.652 -15.914 1.00 53.12 C ATOM 155 NE ARG A 9 -10.254 22.527 -14.741 1.00 4.22 N ATOM 156 CZ ARG A 9 -11.336 23.057 -14.238 1.00 4.41 C ATOM 157 NH1 ARG A 9 -12.491 22.848 -14.786 1.00 50.23 N ATOM 158 NH2 ARG A 9 -11.257 23.794 -13.179 1.00 24.34 N ATOM 0 H ARG A 9 -10.857 23.011 -18.492 1.00 11.32 H new ATOM 0 HA ARG A 9 -9.899 20.728 -20.083 1.00 42.40 H new ATOM 0 HB2 ARG A 9 -8.953 20.094 -17.730 1.00 44.25 H new ATOM 0 HB3 ARG A 9 -8.171 21.340 -18.684 1.00 44.25 H new ATOM 0 HG2 ARG A 9 -8.224 22.169 -16.458 1.00 74.25 H new ATOM 0 HG3 ARG A 9 -9.453 23.069 -17.325 1.00 74.25 H new ATOM 0 HD2 ARG A 9 -11.223 21.650 -16.377 1.00 53.12 H new ATOM 0 HD3 ARG A 9 -10.030 20.629 -15.598 1.00 53.12 H new ATOM 0 HE ARG A 9 -9.365 22.736 -14.288 1.00 4.22 H new ATOM 0 HH11 ARG A 9 -12.562 22.264 -15.619 1.00 50.23 H new ATOM 0 HH12 ARG A 9 -13.330 23.267 -14.384 1.00 50.23 H new ATOM 0 HH21 ARG A 9 -10.352 23.960 -12.739 1.00 24.34 H new ATOM 0 HH22 ARG A 9 -12.100 24.210 -12.783 1.00 24.34 H new ATOM 172 N THR A 10 -12.167 19.629 -19.636 1.00 31.32 N ATOM 173 CA THR A 10 -13.235 18.666 -19.332 1.00 60.13 C ATOM 174 C THR A 10 -12.658 17.293 -18.951 1.00 50.20 C ATOM 175 O THR A 10 -12.510 16.407 -19.797 1.00 25.45 O ATOM 176 CB THR A 10 -14.222 18.498 -20.517 1.00 74.01 C ATOM 177 OG1 THR A 10 -13.515 18.103 -21.705 1.00 12.34 O ATOM 178 CG2 THR A 10 -14.989 19.791 -20.784 1.00 61.51 C ATOM 0 H THR A 10 -12.099 19.891 -20.619 1.00 31.32 H new ATOM 0 HA THR A 10 -13.783 19.073 -18.482 1.00 60.13 H new ATOM 0 HB THR A 10 -14.937 17.721 -20.246 1.00 74.01 H new ATOM 0 HG1 THR A 10 -12.901 17.370 -21.492 1.00 12.34 H new ATOM 0 HG21 THR A 10 -15.673 19.642 -21.620 1.00 61.51 H new ATOM 0 HG22 THR A 10 -15.557 20.067 -19.895 1.00 61.51 H new ATOM 0 HG23 THR A 10 -14.286 20.587 -21.028 1.00 61.51 H new ATOM 186 N ARG A 11 -12.300 17.135 -17.677 1.00 53.02 N ATOM 187 CA ARG A 11 -11.729 15.882 -17.164 1.00 62.14 C ATOM 188 C ARG A 11 -12.377 15.493 -15.823 1.00 44.50 C ATOM 189 O ARG A 11 -12.443 16.305 -14.897 1.00 44.43 O ATOM 190 CB ARG A 11 -10.202 16.027 -16.995 1.00 52.11 C ATOM 191 CG ARG A 11 -9.449 16.290 -18.300 1.00 53.00 C ATOM 192 CD ARG A 11 -9.351 15.043 -19.180 1.00 65.10 C ATOM 193 NE ARG A 11 -8.380 14.078 -18.657 1.00 10.11 N ATOM 194 CZ ARG A 11 -8.254 12.847 -19.086 1.00 3.22 C ATOM 195 NH1 ARG A 11 -9.060 12.368 -19.973 1.00 41.35 N ATOM 196 NH2 ARG A 11 -7.329 12.081 -18.608 1.00 70.40 N ATOM 0 H ARG A 11 -12.395 17.866 -16.972 1.00 53.02 H new ATOM 0 HA ARG A 11 -11.934 15.090 -17.885 1.00 62.14 H new ATOM 0 HB2 ARG A 11 -10.000 16.843 -16.301 1.00 52.11 H new ATOM 0 HB3 ARG A 11 -9.810 15.118 -16.539 1.00 52.11 H new ATOM 0 HG2 ARG A 11 -9.953 17.083 -18.853 1.00 53.00 H new ATOM 0 HG3 ARG A 11 -8.446 16.649 -18.071 1.00 53.00 H new ATOM 0 HD2 ARG A 11 -10.331 14.570 -19.250 1.00 65.10 H new ATOM 0 HD3 ARG A 11 -9.065 15.334 -20.191 1.00 65.10 H new ATOM 0 HE ARG A 11 -7.760 14.386 -17.908 1.00 10.11 H new ATOM 0 HH11 ARG A 11 -9.808 12.950 -20.350 1.00 41.35 H new ATOM 0 HH12 ARG A 11 -8.949 11.407 -20.297 1.00 41.35 H new ATOM 0 HH21 ARG A 11 -6.693 12.434 -17.893 1.00 70.40 H new ATOM 0 HH22 ARG A 11 -7.235 11.123 -18.946 1.00 70.40 H new ATOM 210 N GLY A 12 -12.863 14.255 -15.732 1.00 20.31 N ATOM 211 CA GLY A 12 -13.495 13.778 -14.501 1.00 22.01 C ATOM 212 C GLY A 12 -12.692 12.685 -13.803 1.00 55.21 C ATOM 213 O GLY A 12 -11.755 12.972 -13.056 1.00 21.22 O ATOM 0 H GLY A 12 -12.832 13.570 -16.487 1.00 20.31 H new ATOM 0 HA2 GLY A 12 -13.626 14.617 -13.818 1.00 22.01 H new ATOM 0 HA3 GLY A 12 -14.490 13.398 -14.734 1.00 22.01 H new ATOM 217 N GLY A 13 -13.057 11.428 -14.049 1.00 54.52 N ATOM 218 CA GLY A 13 -12.349 10.303 -13.443 1.00 31.43 C ATOM 219 C GLY A 13 -13.278 9.174 -13.005 1.00 4.12 C ATOM 220 O GLY A 13 -13.553 9.008 -11.816 1.00 61.10 O ATOM 0 H GLY A 13 -13.832 11.165 -14.658 1.00 54.52 H new ATOM 0 HA2 GLY A 13 -11.623 9.912 -14.156 1.00 31.43 H new ATOM 0 HA3 GLY A 13 -11.787 10.658 -12.579 1.00 31.43 H new ATOM 224 N ASN A 14 -13.768 8.394 -13.967 1.00 3.43 N ATOM 225 CA ASN A 14 -14.659 7.263 -13.670 1.00 25.32 C ATOM 226 C ASN A 14 -13.985 5.920 -13.997 1.00 63.24 C ATOM 227 O ASN A 14 -13.610 5.663 -15.142 1.00 72.24 O ATOM 228 CB ASN A 14 -15.970 7.397 -14.461 1.00 25.22 C ATOM 229 CG ASN A 14 -16.989 6.320 -14.109 1.00 12.12 C ATOM 230 OD1 ASN A 14 -17.741 5.860 -14.961 1.00 2.53 O ATOM 231 ND2 ASN A 14 -17.049 5.928 -12.848 1.00 1.53 N ATOM 0 H ASN A 14 -13.566 8.520 -14.959 1.00 3.43 H new ATOM 0 HA ASN A 14 -14.879 7.282 -12.603 1.00 25.32 H new ATOM 0 HB2 ASN A 14 -16.405 8.378 -14.270 1.00 25.22 H new ATOM 0 HB3 ASN A 14 -15.751 7.348 -15.528 1.00 25.22 H new ATOM 0 HD21 ASN A 14 -17.733 5.227 -12.564 1.00 1.53 H new ATOM 0 HD22 ASN A 14 -16.411 6.327 -12.159 1.00 1.53 H new ATOM 238 N THR A 15 -13.821 5.072 -12.985 1.00 5.51 N ATOM 239 CA THR A 15 -13.241 3.735 -13.172 1.00 42.35 C ATOM 240 C THR A 15 -14.332 2.662 -13.068 1.00 40.32 C ATOM 241 O THR A 15 -15.066 2.603 -12.083 1.00 42.55 O ATOM 242 CB THR A 15 -12.127 3.451 -12.135 1.00 62.43 C ATOM 243 OG1 THR A 15 -11.108 4.464 -12.221 1.00 21.54 O ATOM 244 CG2 THR A 15 -11.499 2.079 -12.365 1.00 54.05 C ATOM 0 H THR A 15 -14.081 5.284 -12.022 1.00 5.51 H new ATOM 0 HA THR A 15 -12.796 3.704 -14.167 1.00 42.35 H new ATOM 0 HB THR A 15 -12.578 3.464 -11.143 1.00 62.43 H new ATOM 0 HG1 THR A 15 -10.407 4.280 -11.561 1.00 21.54 H new ATOM 0 HG21 THR A 15 -10.720 1.906 -11.622 1.00 54.05 H new ATOM 0 HG22 THR A 15 -12.265 1.309 -12.274 1.00 54.05 H new ATOM 0 HG23 THR A 15 -11.063 2.041 -13.363 1.00 54.05 H new ATOM 252 N LYS A 16 -14.433 1.813 -14.087 1.00 23.14 N ATOM 253 CA LYS A 16 -15.548 0.860 -14.195 1.00 13.34 C ATOM 254 C LYS A 16 -15.210 -0.531 -13.630 1.00 24.02 C ATOM 255 O LYS A 16 -16.021 -1.456 -13.733 1.00 3.31 O ATOM 256 CB LYS A 16 -15.962 0.721 -15.666 1.00 3.51 C ATOM 257 CG LYS A 16 -16.406 2.027 -16.315 1.00 4.22 C ATOM 258 CD LYS A 16 -16.816 1.822 -17.773 1.00 54.53 C ATOM 259 CE LYS A 16 -17.993 0.858 -17.903 1.00 41.04 C ATOM 260 NZ LYS A 16 -19.201 1.356 -17.200 1.00 63.12 N ATOM 0 H LYS A 16 -13.760 1.761 -14.852 1.00 23.14 H new ATOM 0 HA LYS A 16 -16.366 1.260 -13.596 1.00 13.34 H new ATOM 0 HB2 LYS A 16 -15.124 0.314 -16.231 1.00 3.51 H new ATOM 0 HB3 LYS A 16 -16.775 -0.002 -15.737 1.00 3.51 H new ATOM 0 HG2 LYS A 16 -17.244 2.445 -15.757 1.00 4.22 H new ATOM 0 HG3 LYS A 16 -15.595 2.753 -16.264 1.00 4.22 H new ATOM 0 HD2 LYS A 16 -17.083 2.783 -18.214 1.00 54.53 H new ATOM 0 HD3 LYS A 16 -15.967 1.437 -18.338 1.00 54.53 H new ATOM 0 HE2 LYS A 16 -18.224 0.708 -18.958 1.00 41.04 H new ATOM 0 HE3 LYS A 16 -17.712 -0.114 -17.497 1.00 41.04 H new ATOM 0 HZ1 LYS A 16 -20.018 0.764 -17.451 1.00 63.12 H new ATOM 0 HZ2 LYS A 16 -19.046 1.315 -16.172 1.00 63.12 H new ATOM 0 HZ3 LYS A 16 -19.387 2.339 -17.483 1.00 63.12 H new ATOM 274 N VAL A 17 -14.032 -0.687 -13.037 1.00 74.25 N ATOM 275 CA VAL A 17 -13.597 -1.998 -12.540 1.00 52.12 C ATOM 276 C VAL A 17 -12.675 -1.880 -11.314 1.00 25.54 C ATOM 277 O VAL A 17 -11.882 -0.944 -11.202 1.00 61.42 O ATOM 278 CB VAL A 17 -12.877 -2.795 -13.659 1.00 43.51 C ATOM 279 CG1 VAL A 17 -11.606 -2.075 -14.113 1.00 30.10 C ATOM 280 CG2 VAL A 17 -12.571 -4.227 -13.210 1.00 63.03 C ATOM 0 H VAL A 17 -13.362 0.067 -12.887 1.00 74.25 H new ATOM 0 HA VAL A 17 -14.496 -2.532 -12.232 1.00 52.12 H new ATOM 0 HB VAL A 17 -13.551 -2.854 -14.513 1.00 43.51 H new ATOM 0 HG11 VAL A 17 -11.120 -2.655 -14.898 1.00 30.10 H new ATOM 0 HG12 VAL A 17 -11.864 -1.088 -14.498 1.00 30.10 H new ATOM 0 HG13 VAL A 17 -10.927 -1.968 -13.267 1.00 30.10 H new ATOM 0 HG21 VAL A 17 -12.066 -4.761 -14.015 1.00 63.03 H new ATOM 0 HG22 VAL A 17 -11.927 -4.203 -12.331 1.00 63.03 H new ATOM 0 HG23 VAL A 17 -13.502 -4.738 -12.964 1.00 63.03 H new ATOM 290 N ARG A 18 -12.792 -2.844 -10.397 1.00 1.41 N ATOM 291 CA ARG A 18 -11.948 -2.894 -9.191 1.00 24.20 C ATOM 292 C ARG A 18 -10.454 -3.114 -9.510 1.00 14.21 C ATOM 293 O ARG A 18 -9.592 -2.803 -8.689 1.00 20.23 O ATOM 294 CB ARG A 18 -12.463 -3.973 -8.206 1.00 72.15 C ATOM 295 CG ARG A 18 -13.056 -5.233 -8.853 1.00 54.12 C ATOM 296 CD ARG A 18 -12.031 -6.046 -9.640 1.00 13.13 C ATOM 297 NE ARG A 18 -10.968 -6.570 -8.784 1.00 41.41 N ATOM 298 CZ ARG A 18 -10.487 -7.783 -8.862 1.00 72.23 C ATOM 299 NH1 ARG A 18 -10.997 -8.650 -9.678 1.00 61.32 N ATOM 300 NH2 ARG A 18 -9.516 -8.138 -8.086 1.00 30.00 N ATOM 0 H ARG A 18 -13.466 -3.607 -10.464 1.00 1.41 H new ATOM 0 HA ARG A 18 -12.024 -1.915 -8.717 1.00 24.20 H new ATOM 0 HB2 ARG A 18 -11.638 -4.272 -7.559 1.00 72.15 H new ATOM 0 HB3 ARG A 18 -13.222 -3.523 -7.567 1.00 72.15 H new ATOM 0 HG2 ARG A 18 -13.490 -5.862 -8.076 1.00 54.12 H new ATOM 0 HG3 ARG A 18 -13.869 -4.943 -9.519 1.00 54.12 H new ATOM 0 HD2 ARG A 18 -12.533 -6.874 -10.141 1.00 13.13 H new ATOM 0 HD3 ARG A 18 -11.594 -5.421 -10.418 1.00 13.13 H new ATOM 0 HE ARG A 18 -10.575 -5.947 -8.078 1.00 41.41 H new ATOM 0 HH11 ARG A 18 -11.785 -8.390 -10.271 1.00 61.32 H new ATOM 0 HH12 ARG A 18 -10.611 -9.593 -9.727 1.00 61.32 H new ATOM 0 HH21 ARG A 18 -9.129 -7.473 -7.417 1.00 30.00 H new ATOM 0 HH22 ARG A 18 -9.137 -9.083 -8.143 1.00 30.00 H new ATOM 314 N LEU A 19 -10.157 -3.655 -10.696 1.00 72.24 N ATOM 315 CA LEU A 19 -8.770 -3.895 -11.131 1.00 21.33 C ATOM 316 C LEU A 19 -8.751 -4.467 -12.557 1.00 22.22 C ATOM 317 O LEU A 19 -9.451 -5.438 -12.849 1.00 73.21 O ATOM 318 CB LEU A 19 -8.050 -4.858 -10.155 1.00 32.25 C ATOM 319 CG LEU A 19 -6.507 -4.931 -10.265 1.00 2.33 C ATOM 320 CD1 LEU A 19 -5.912 -5.581 -9.020 1.00 13.21 C ATOM 321 CD2 LEU A 19 -6.061 -5.695 -11.513 1.00 2.04 C ATOM 0 H LEU A 19 -10.861 -3.938 -11.378 1.00 72.24 H new ATOM 0 HA LEU A 19 -8.239 -2.943 -11.128 1.00 21.33 H new ATOM 0 HB2 LEU A 19 -8.305 -4.565 -9.137 1.00 32.25 H new ATOM 0 HB3 LEU A 19 -8.450 -5.860 -10.308 1.00 32.25 H new ATOM 0 HG LEU A 19 -6.140 -3.908 -10.348 1.00 2.33 H new ATOM 0 HD11 LEU A 19 -4.827 -5.624 -9.115 1.00 13.21 H new ATOM 0 HD12 LEU A 19 -6.176 -4.993 -8.141 1.00 13.21 H new ATOM 0 HD13 LEU A 19 -6.307 -6.591 -8.913 1.00 13.21 H new ATOM 0 HD21 LEU A 19 -4.972 -5.723 -11.553 1.00 2.04 H new ATOM 0 HD22 LEU A 19 -6.449 -6.713 -11.475 1.00 2.04 H new ATOM 0 HD23 LEU A 19 -6.443 -5.194 -12.402 1.00 2.04 H new ATOM 333 N ALA A 20 -7.953 -3.859 -13.438 1.00 44.02 N ATOM 334 CA ALA A 20 -7.814 -4.333 -14.821 1.00 5.51 C ATOM 335 C ALA A 20 -6.621 -3.675 -15.534 1.00 1.03 C ATOM 336 O ALA A 20 -6.637 -2.470 -15.783 1.00 44.33 O ATOM 337 CB ALA A 20 -9.095 -4.075 -15.608 1.00 11.22 C ATOM 0 H ALA A 20 -7.392 -3.036 -13.220 1.00 44.02 H new ATOM 0 HA ALA A 20 -7.629 -5.406 -14.777 1.00 5.51 H new ATOM 0 HB1 ALA A 20 -8.972 -4.433 -16.630 1.00 11.22 H new ATOM 0 HB2 ALA A 20 -9.924 -4.602 -15.136 1.00 11.22 H new ATOM 0 HB3 ALA A 20 -9.305 -3.005 -15.621 1.00 11.22 H new ATOM 343 N SER A 21 -5.593 -4.483 -15.831 1.00 35.20 N ATOM 344 CA SER A 21 -4.381 -4.067 -16.589 1.00 40.24 C ATOM 345 C SER A 21 -3.443 -3.151 -15.780 1.00 40.45 C ATOM 346 O SER A 21 -2.224 -3.339 -15.787 1.00 15.35 O ATOM 347 CB SER A 21 -4.733 -3.402 -17.939 1.00 31.23 C ATOM 348 OG SER A 21 -5.207 -2.073 -17.780 1.00 14.05 O ATOM 0 H SER A 21 -5.570 -5.463 -15.551 1.00 35.20 H new ATOM 0 HA SER A 21 -3.843 -4.994 -16.789 1.00 40.24 H new ATOM 0 HB2 SER A 21 -3.851 -3.396 -18.579 1.00 31.23 H new ATOM 0 HB3 SER A 21 -5.492 -3.997 -18.447 1.00 31.23 H new ATOM 0 HG SER A 21 -6.052 -2.084 -17.284 1.00 14.05 H new ATOM 354 N ASP A 22 -4.006 -2.168 -15.085 1.00 54.02 N ATOM 355 CA ASP A 22 -3.220 -1.217 -14.295 1.00 65.01 C ATOM 356 C ASP A 22 -3.298 -1.559 -12.794 1.00 24.43 C ATOM 357 O ASP A 22 -4.385 -1.634 -12.219 1.00 0.32 O ATOM 358 CB ASP A 22 -3.730 0.207 -14.563 1.00 62.22 C ATOM 359 CG ASP A 22 -2.845 1.294 -13.971 1.00 5.03 C ATOM 360 OD1 ASP A 22 -1.699 0.998 -13.565 1.00 5.45 O ATOM 361 OD2 ASP A 22 -3.286 2.461 -13.929 1.00 3.43 O ATOM 0 H ASP A 22 -5.012 -2.006 -15.051 1.00 54.02 H new ATOM 0 HA ASP A 22 -2.173 -1.281 -14.591 1.00 65.01 H new ATOM 0 HB2 ASP A 22 -3.807 0.359 -15.640 1.00 62.22 H new ATOM 0 HB3 ASP A 22 -4.736 0.306 -14.154 1.00 62.22 H new ATOM 366 N THR A 23 -2.139 -1.766 -12.170 1.00 13.31 N ATOM 367 CA THR A 23 -2.074 -2.186 -10.761 1.00 54.42 C ATOM 368 C THR A 23 -1.673 -1.023 -9.835 1.00 71.02 C ATOM 369 O THR A 23 -0.537 -0.547 -9.875 1.00 34.34 O ATOM 370 CB THR A 23 -1.054 -3.341 -10.589 1.00 20.41 C ATOM 371 OG1 THR A 23 -1.406 -4.441 -11.443 1.00 11.25 O ATOM 372 CG2 THR A 23 -0.989 -3.822 -9.143 1.00 62.21 C ATOM 0 H THR A 23 -1.228 -1.651 -12.614 1.00 13.31 H new ATOM 0 HA THR A 23 -3.072 -2.524 -10.481 1.00 54.42 H new ATOM 0 HB THR A 23 -0.072 -2.957 -10.866 1.00 20.41 H new ATOM 0 HG1 THR A 23 -0.677 -5.096 -11.451 1.00 11.25 H new ATOM 0 HG21 THR A 23 -0.264 -4.632 -9.061 1.00 62.21 H new ATOM 0 HG22 THR A 23 -0.686 -2.997 -8.498 1.00 62.21 H new ATOM 0 HG23 THR A 23 -1.971 -4.182 -8.835 1.00 62.21 H new ATOM 380 N ARG A 24 -2.605 -0.592 -8.978 1.00 42.14 N ATOM 381 CA ARG A 24 -2.355 0.517 -8.042 1.00 32.12 C ATOM 382 C ARG A 24 -3.033 0.265 -6.683 1.00 22.32 C ATOM 383 O ARG A 24 -3.850 -0.641 -6.548 1.00 63.40 O ATOM 384 CB ARG A 24 -2.858 1.849 -8.631 1.00 3.32 C ATOM 385 CG ARG A 24 -2.240 2.215 -9.978 1.00 61.14 C ATOM 386 CD ARG A 24 -2.687 3.593 -10.454 1.00 24.45 C ATOM 387 NE ARG A 24 -2.193 3.888 -11.797 1.00 60.22 N ATOM 388 CZ ARG A 24 -1.757 5.054 -12.188 1.00 14.13 C ATOM 389 NH1 ARG A 24 -1.688 6.046 -11.360 1.00 20.25 N ATOM 390 NH2 ARG A 24 -1.370 5.219 -13.413 1.00 24.14 N ATOM 0 H ARG A 24 -3.541 -0.993 -8.911 1.00 42.14 H new ATOM 0 HA ARG A 24 -1.278 0.577 -7.887 1.00 32.12 H new ATOM 0 HB2 ARG A 24 -3.941 1.797 -8.744 1.00 3.32 H new ATOM 0 HB3 ARG A 24 -2.650 2.649 -7.920 1.00 3.32 H new ATOM 0 HG2 ARG A 24 -1.153 2.194 -9.896 1.00 61.14 H new ATOM 0 HG3 ARG A 24 -2.518 1.467 -10.720 1.00 61.14 H new ATOM 0 HD2 ARG A 24 -3.776 3.645 -10.447 1.00 24.45 H new ATOM 0 HD3 ARG A 24 -2.328 4.352 -9.759 1.00 24.45 H new ATOM 0 HE ARG A 24 -2.189 3.128 -12.478 1.00 60.22 H new ATOM 0 HH11 ARG A 24 -1.976 5.921 -10.390 1.00 20.25 H new ATOM 0 HH12 ARG A 24 -1.345 6.953 -11.678 1.00 20.25 H new ATOM 0 HH21 ARG A 24 -1.407 4.439 -14.069 1.00 24.14 H new ATOM 0 HH22 ARG A 24 -1.029 6.129 -13.722 1.00 24.14 H new ATOM 404 N ILE A 25 -2.692 1.083 -5.687 1.00 0.23 N ATOM 405 CA ILE A 25 -3.232 0.928 -4.327 1.00 12.55 C ATOM 406 C ILE A 25 -3.326 2.278 -3.593 1.00 62.41 C ATOM 407 O ILE A 25 -2.503 3.172 -3.802 1.00 64.30 O ATOM 408 CB ILE A 25 -2.353 -0.049 -3.497 1.00 61.42 C ATOM 409 CG1 ILE A 25 -2.913 -0.230 -2.074 1.00 25.25 C ATOM 410 CG2 ILE A 25 -0.905 0.439 -3.448 1.00 34.12 C ATOM 411 CD1 ILE A 25 -2.187 -1.280 -1.257 1.00 60.22 C ATOM 0 H ILE A 25 -2.043 1.863 -5.792 1.00 0.23 H new ATOM 0 HA ILE A 25 -4.238 0.520 -4.427 1.00 12.55 H new ATOM 0 HB ILE A 25 -2.374 -1.020 -3.991 1.00 61.42 H new ATOM 0 HG12 ILE A 25 -2.861 0.724 -1.550 1.00 25.25 H new ATOM 0 HG13 ILE A 25 -3.967 -0.500 -2.141 1.00 25.25 H new ATOM 0 HG21 ILE A 25 -0.306 -0.258 -2.863 1.00 34.12 H new ATOM 0 HG22 ILE A 25 -0.507 0.498 -4.461 1.00 34.12 H new ATOM 0 HG23 ILE A 25 -0.869 1.425 -2.986 1.00 34.12 H new ATOM 0 HD11 ILE A 25 -2.640 -1.349 -0.268 1.00 60.22 H new ATOM 0 HD12 ILE A 25 -2.261 -2.246 -1.757 1.00 60.22 H new ATOM 0 HD13 ILE A 25 -1.138 -1.002 -1.157 1.00 60.22 H new ATOM 423 N ASN A 26 -4.352 2.432 -2.751 1.00 10.14 N ATOM 424 CA ASN A 26 -4.482 3.619 -1.897 1.00 20.12 C ATOM 425 C ASN A 26 -3.566 3.496 -0.671 1.00 61.53 C ATOM 426 O ASN A 26 -3.851 2.743 0.264 1.00 22.30 O ATOM 427 CB ASN A 26 -5.939 3.820 -1.453 1.00 44.02 C ATOM 428 CG ASN A 26 -6.857 4.275 -2.580 1.00 43.43 C ATOM 429 OD1 ASN A 26 -7.836 4.979 -2.353 1.00 65.24 O ATOM 430 ND2 ASN A 26 -6.560 3.885 -3.804 1.00 12.30 N ATOM 0 H ASN A 26 -5.104 1.752 -2.642 1.00 10.14 H new ATOM 0 HA ASN A 26 -4.180 4.490 -2.478 1.00 20.12 H new ATOM 0 HB2 ASN A 26 -6.318 2.885 -1.041 1.00 44.02 H new ATOM 0 HB3 ASN A 26 -5.968 4.557 -0.650 1.00 44.02 H new ATOM 0 HD21 ASN A 26 -7.149 4.168 -4.587 1.00 12.30 H new ATOM 0 HD22 ASN A 26 -5.741 3.300 -3.968 1.00 12.30 H new ATOM 437 N VAL A 27 -2.458 4.227 -0.697 1.00 24.13 N ATOM 438 CA VAL A 27 -1.455 4.171 0.369 1.00 25.55 C ATOM 439 C VAL A 27 -1.738 5.200 1.475 1.00 10.42 C ATOM 440 O VAL A 27 -1.833 6.401 1.213 1.00 70.12 O ATOM 441 CB VAL A 27 -0.038 4.420 -0.203 1.00 63.13 C ATOM 442 CG1 VAL A 27 1.028 4.231 0.873 1.00 21.15 C ATOM 443 CG2 VAL A 27 0.223 3.511 -1.401 1.00 44.51 C ATOM 0 H VAL A 27 -2.227 4.873 -1.452 1.00 24.13 H new ATOM 0 HA VAL A 27 -1.508 3.173 0.803 1.00 25.55 H new ATOM 0 HB VAL A 27 0.016 5.454 -0.543 1.00 63.13 H new ATOM 0 HG11 VAL A 27 2.014 4.412 0.444 1.00 21.15 H new ATOM 0 HG12 VAL A 27 0.852 4.934 1.687 1.00 21.15 H new ATOM 0 HG13 VAL A 27 0.981 3.212 1.257 1.00 21.15 H new ATOM 0 HG21 VAL A 27 1.224 3.700 -1.790 1.00 44.51 H new ATOM 0 HG22 VAL A 27 0.145 2.469 -1.091 1.00 44.51 H new ATOM 0 HG23 VAL A 27 -0.513 3.714 -2.179 1.00 44.51 H new ATOM 453 N VAL A 28 -1.866 4.719 2.709 1.00 13.21 N ATOM 454 CA VAL A 28 -2.093 5.591 3.869 1.00 10.12 C ATOM 455 C VAL A 28 -0.838 5.683 4.755 1.00 61.20 C ATOM 456 O VAL A 28 -0.389 4.682 5.312 1.00 13.22 O ATOM 457 CB VAL A 28 -3.274 5.082 4.736 1.00 63.30 C ATOM 458 CG1 VAL A 28 -3.591 6.067 5.862 1.00 33.25 C ATOM 459 CG2 VAL A 28 -4.505 4.820 3.872 1.00 11.44 C ATOM 0 H VAL A 28 -1.817 3.726 2.937 1.00 13.21 H new ATOM 0 HA VAL A 28 -2.332 6.578 3.474 1.00 10.12 H new ATOM 0 HB VAL A 28 -2.977 4.139 5.194 1.00 63.30 H new ATOM 0 HG11 VAL A 28 -4.423 5.686 6.455 1.00 33.25 H new ATOM 0 HG12 VAL A 28 -2.715 6.185 6.500 1.00 33.25 H new ATOM 0 HG13 VAL A 28 -3.862 7.033 5.435 1.00 33.25 H new ATOM 0 HG21 VAL A 28 -5.321 4.464 4.500 1.00 11.44 H new ATOM 0 HG22 VAL A 28 -4.805 5.743 3.376 1.00 11.44 H new ATOM 0 HG23 VAL A 28 -4.269 4.066 3.122 1.00 11.44 H new ATOM 469 N ASP A 29 -0.270 6.878 4.876 1.00 24.25 N ATOM 470 CA ASP A 29 0.881 7.100 5.760 1.00 74.02 C ATOM 471 C ASP A 29 0.441 7.040 7.234 1.00 41.40 C ATOM 472 O ASP A 29 -0.419 7.810 7.655 1.00 4.44 O ATOM 473 CB ASP A 29 1.515 8.462 5.457 1.00 35.53 C ATOM 474 CG ASP A 29 2.872 8.665 6.114 1.00 21.21 C ATOM 475 OD1 ASP A 29 2.955 8.645 7.359 1.00 63.12 O ATOM 476 OD2 ASP A 29 3.858 8.888 5.386 1.00 12.21 O ATOM 0 H ASP A 29 -0.583 7.710 4.376 1.00 24.25 H new ATOM 0 HA ASP A 29 1.617 6.316 5.583 1.00 74.02 H new ATOM 0 HB2 ASP A 29 1.624 8.570 4.378 1.00 35.53 H new ATOM 0 HB3 ASP A 29 0.839 9.250 5.790 1.00 35.53 H new ATOM 481 N PRO A 30 1.035 6.146 8.045 1.00 73.10 N ATOM 482 CA PRO A 30 0.633 5.978 9.450 1.00 35.03 C ATOM 483 C PRO A 30 0.976 7.196 10.329 1.00 2.52 C ATOM 484 O PRO A 30 0.269 7.496 11.295 1.00 74.31 O ATOM 485 CB PRO A 30 1.425 4.739 9.899 1.00 71.14 C ATOM 486 CG PRO A 30 2.610 4.693 8.991 1.00 14.11 C ATOM 487 CD PRO A 30 2.138 5.239 7.668 1.00 70.25 C ATOM 0 HA PRO A 30 -0.447 5.872 9.549 1.00 35.03 H new ATOM 0 HB2 PRO A 30 1.729 4.821 10.942 1.00 71.14 H new ATOM 0 HB3 PRO A 30 0.825 3.833 9.812 1.00 71.14 H new ATOM 0 HG2 PRO A 30 3.431 5.290 9.389 1.00 14.11 H new ATOM 0 HG3 PRO A 30 2.980 3.673 8.883 1.00 14.11 H new ATOM 0 HD2 PRO A 30 2.934 5.770 7.146 1.00 70.25 H new ATOM 0 HD3 PRO A 30 1.796 4.445 7.005 1.00 70.25 H new ATOM 495 N GLU A 31 2.054 7.903 9.992 1.00 34.24 N ATOM 496 CA GLU A 31 2.524 9.024 10.815 1.00 72.24 C ATOM 497 C GLU A 31 1.891 10.369 10.410 1.00 55.44 C ATOM 498 O GLU A 31 1.485 11.149 11.272 1.00 63.44 O ATOM 499 CB GLU A 31 4.055 9.121 10.762 1.00 54.34 C ATOM 500 CG GLU A 31 4.763 7.854 11.233 1.00 62.10 C ATOM 501 CD GLU A 31 6.247 8.068 11.474 1.00 74.05 C ATOM 502 OE1 GLU A 31 6.617 8.437 12.608 1.00 10.34 O ATOM 503 OE2 GLU A 31 7.052 7.882 10.536 1.00 71.54 O ATOM 0 H GLU A 31 2.617 7.724 9.161 1.00 34.24 H new ATOM 0 HA GLU A 31 2.207 8.818 11.837 1.00 72.24 H new ATOM 0 HB2 GLU A 31 4.362 9.340 9.739 1.00 54.34 H new ATOM 0 HB3 GLU A 31 4.379 9.959 11.379 1.00 54.34 H new ATOM 0 HG2 GLU A 31 4.296 7.503 12.153 1.00 62.10 H new ATOM 0 HG3 GLU A 31 4.629 7.070 10.488 1.00 62.10 H new ATOM 510 N THR A 32 1.807 10.646 9.106 1.00 33.22 N ATOM 511 CA THR A 32 1.244 11.925 8.627 1.00 61.24 C ATOM 512 C THR A 32 -0.237 11.798 8.244 1.00 34.44 C ATOM 513 O THR A 32 -0.982 12.776 8.288 1.00 0.54 O ATOM 514 CB THR A 32 2.016 12.492 7.405 1.00 45.11 C ATOM 515 OG1 THR A 32 1.725 11.733 6.215 1.00 42.01 O ATOM 516 CG2 THR A 32 3.517 12.483 7.653 1.00 43.42 C ATOM 0 H THR A 32 2.116 10.015 8.366 1.00 33.22 H new ATOM 0 HA THR A 32 1.346 12.613 9.467 1.00 61.24 H new ATOM 0 HB THR A 32 1.686 13.521 7.262 1.00 45.11 H new ATOM 0 HG1 THR A 32 1.400 12.336 5.514 1.00 42.01 H new ATOM 0 HG21 THR A 32 4.032 12.885 6.781 1.00 43.42 H new ATOM 0 HG22 THR A 32 3.745 13.096 8.525 1.00 43.42 H new ATOM 0 HG23 THR A 32 3.850 11.461 7.832 1.00 43.42 H new ATOM 524 N GLY A 33 -0.658 10.594 7.861 1.00 14.24 N ATOM 525 CA GLY A 33 -2.054 10.370 7.487 1.00 54.31 C ATOM 526 C GLY A 33 -2.379 10.759 6.044 1.00 64.24 C ATOM 527 O GLY A 33 -3.540 11.009 5.714 1.00 0.21 O ATOM 0 H GLY A 33 -0.062 9.768 7.802 1.00 14.24 H new ATOM 0 HA2 GLY A 33 -2.294 9.317 7.632 1.00 54.31 H new ATOM 0 HA3 GLY A 33 -2.696 10.939 8.160 1.00 54.31 H new ATOM 531 N LYS A 34 -1.363 10.812 5.179 1.00 3.12 N ATOM 532 CA LYS A 34 -1.580 11.121 3.757 1.00 22.03 C ATOM 533 C LYS A 34 -2.114 9.886 3.010 1.00 71.33 C ATOM 534 O LYS A 34 -1.620 8.774 3.204 1.00 65.52 O ATOM 535 CB LYS A 34 -0.278 11.620 3.090 1.00 3.12 C ATOM 536 CG LYS A 34 0.788 10.539 2.904 1.00 12.42 C ATOM 537 CD LYS A 34 2.017 11.042 2.144 1.00 24.35 C ATOM 538 CE LYS A 34 2.894 11.960 2.991 1.00 34.02 C ATOM 539 NZ LYS A 34 3.484 11.248 4.160 1.00 55.44 N ATOM 0 H LYS A 34 -0.389 10.647 5.432 1.00 3.12 H new ATOM 0 HA LYS A 34 -2.322 11.917 3.700 1.00 22.03 H new ATOM 0 HB2 LYS A 34 -0.522 12.045 2.116 1.00 3.12 H new ATOM 0 HB3 LYS A 34 0.140 12.426 3.693 1.00 3.12 H new ATOM 0 HG2 LYS A 34 1.097 10.169 3.881 1.00 12.42 H new ATOM 0 HG3 LYS A 34 0.354 9.696 2.366 1.00 12.42 H new ATOM 0 HD2 LYS A 34 2.607 10.189 1.809 1.00 24.35 H new ATOM 0 HD3 LYS A 34 1.694 11.577 1.251 1.00 24.35 H new ATOM 0 HE2 LYS A 34 3.694 12.368 2.373 1.00 34.02 H new ATOM 0 HE3 LYS A 34 2.301 12.804 3.343 1.00 34.02 H new ATOM 0 HZ1 LYS A 34 4.499 11.467 4.224 1.00 55.44 H new ATOM 0 HZ2 LYS A 34 3.008 11.557 5.031 1.00 55.44 H new ATOM 0 HZ3 LYS A 34 3.358 10.222 4.042 1.00 55.44 H new ATOM 553 N VAL A 35 -3.127 10.084 2.173 1.00 41.40 N ATOM 554 CA VAL A 35 -3.700 8.989 1.377 1.00 54.10 C ATOM 555 C VAL A 35 -3.484 9.231 -0.127 1.00 72.04 C ATOM 556 O VAL A 35 -4.203 10.017 -0.753 1.00 10.14 O ATOM 557 CB VAL A 35 -5.216 8.811 1.664 1.00 63.12 C ATOM 558 CG1 VAL A 35 -5.786 7.627 0.879 1.00 20.50 C ATOM 559 CG2 VAL A 35 -5.468 8.639 3.163 1.00 0.35 C ATOM 0 H VAL A 35 -3.572 10.989 2.024 1.00 41.40 H new ATOM 0 HA VAL A 35 -3.183 8.075 1.669 1.00 54.10 H new ATOM 0 HB VAL A 35 -5.730 9.714 1.334 1.00 63.12 H new ATOM 0 HG11 VAL A 35 -6.849 7.524 1.097 1.00 20.50 H new ATOM 0 HG12 VAL A 35 -5.650 7.799 -0.189 1.00 20.50 H new ATOM 0 HG13 VAL A 35 -5.266 6.714 1.169 1.00 20.50 H new ATOM 0 HG21 VAL A 35 -6.536 8.516 3.341 1.00 0.35 H new ATOM 0 HG22 VAL A 35 -4.937 7.758 3.523 1.00 0.35 H new ATOM 0 HG23 VAL A 35 -5.111 9.520 3.695 1.00 0.35 H new ATOM 569 N GLU A 36 -2.495 8.553 -0.702 1.00 33.33 N ATOM 570 CA GLU A 36 -2.137 8.744 -2.113 1.00 32.21 C ATOM 571 C GLU A 36 -2.157 7.412 -2.883 1.00 12.24 C ATOM 572 O GLU A 36 -1.798 6.366 -2.345 1.00 55.21 O ATOM 573 CB GLU A 36 -0.750 9.401 -2.214 1.00 70.13 C ATOM 574 CG GLU A 36 -0.296 9.688 -3.641 1.00 34.23 C ATOM 575 CD GLU A 36 -1.271 10.571 -4.408 1.00 51.44 C ATOM 576 OE1 GLU A 36 -1.380 11.772 -4.087 1.00 64.33 O ATOM 577 OE2 GLU A 36 -1.940 10.065 -5.334 1.00 51.33 O ATOM 0 H GLU A 36 -1.923 7.863 -0.215 1.00 33.33 H new ATOM 0 HA GLU A 36 -2.880 9.399 -2.568 1.00 32.21 H new ATOM 0 HB2 GLU A 36 -0.762 10.336 -1.654 1.00 70.13 H new ATOM 0 HB3 GLU A 36 -0.017 8.752 -1.735 1.00 70.13 H new ATOM 0 HG2 GLU A 36 0.681 10.171 -3.616 1.00 34.23 H new ATOM 0 HG3 GLU A 36 -0.172 8.745 -4.174 1.00 34.23 H new ATOM 584 N ILE A 37 -2.573 7.458 -4.145 1.00 65.51 N ATOM 585 CA ILE A 37 -2.661 6.253 -4.976 1.00 51.34 C ATOM 586 C ILE A 37 -1.305 5.928 -5.631 1.00 74.51 C ATOM 587 O ILE A 37 -0.833 6.658 -6.504 1.00 43.54 O ATOM 588 CB ILE A 37 -3.740 6.415 -6.075 1.00 71.44 C ATOM 589 CG1 ILE A 37 -5.092 6.789 -5.440 1.00 0.43 C ATOM 590 CG2 ILE A 37 -3.867 5.134 -6.898 1.00 34.35 C ATOM 591 CD1 ILE A 37 -6.194 7.053 -6.448 1.00 34.13 C ATOM 0 H ILE A 37 -2.856 8.316 -4.619 1.00 65.51 H new ATOM 0 HA ILE A 37 -2.942 5.428 -4.321 1.00 51.34 H new ATOM 0 HB ILE A 37 -3.436 7.219 -6.745 1.00 71.44 H new ATOM 0 HG12 ILE A 37 -5.406 5.983 -4.777 1.00 0.43 H new ATOM 0 HG13 ILE A 37 -4.958 7.677 -4.822 1.00 0.43 H new ATOM 0 HG21 ILE A 37 -4.630 5.268 -7.665 1.00 34.35 H new ATOM 0 HG22 ILE A 37 -2.912 4.910 -7.372 1.00 34.35 H new ATOM 0 HG23 ILE A 37 -4.150 4.309 -6.245 1.00 34.35 H new ATOM 0 HD11 ILE A 37 -7.114 7.310 -5.923 1.00 34.13 H new ATOM 0 HD12 ILE A 37 -5.904 7.880 -7.096 1.00 34.13 H new ATOM 0 HD13 ILE A 37 -6.358 6.159 -7.050 1.00 34.13 H new ATOM 603 N ALA A 38 -0.682 4.833 -5.202 1.00 50.23 N ATOM 604 CA ALA A 38 0.626 4.424 -5.732 1.00 1.30 C ATOM 605 C ALA A 38 0.529 3.152 -6.584 1.00 3.22 C ATOM 606 O ALA A 38 -0.308 2.284 -6.334 1.00 50.04 O ATOM 607 CB ALA A 38 1.608 4.219 -4.586 1.00 65.41 C ATOM 0 H ALA A 38 -1.058 4.209 -4.488 1.00 50.23 H new ATOM 0 HA ALA A 38 0.985 5.222 -6.381 1.00 1.30 H new ATOM 0 HB1 ALA A 38 2.576 3.916 -4.986 1.00 65.41 H new ATOM 0 HB2 ALA A 38 1.720 5.151 -4.032 1.00 65.41 H new ATOM 0 HB3 ALA A 38 1.232 3.443 -3.919 1.00 65.41 H new ATOM 613 N GLU A 39 1.394 3.047 -7.587 1.00 63.54 N ATOM 614 CA GLU A 39 1.451 1.867 -8.456 1.00 11.35 C ATOM 615 C GLU A 39 2.231 0.732 -7.778 1.00 22.40 C ATOM 616 O GLU A 39 3.339 0.945 -7.276 1.00 52.25 O ATOM 617 CB GLU A 39 2.131 2.220 -9.784 1.00 25.53 C ATOM 618 CG GLU A 39 1.543 3.438 -10.490 1.00 60.11 C ATOM 619 CD GLU A 39 2.316 3.810 -11.748 1.00 34.32 C ATOM 620 OE1 GLU A 39 3.495 4.203 -11.631 1.00 63.35 O ATOM 621 OE2 GLU A 39 1.757 3.706 -12.855 1.00 3.22 O ATOM 0 H GLU A 39 2.073 3.770 -7.823 1.00 63.54 H new ATOM 0 HA GLU A 39 0.430 1.536 -8.644 1.00 11.35 H new ATOM 0 HB2 GLU A 39 3.190 2.399 -9.599 1.00 25.53 H new ATOM 0 HB3 GLU A 39 2.064 1.361 -10.452 1.00 25.53 H new ATOM 0 HG2 GLU A 39 0.504 3.236 -10.752 1.00 60.11 H new ATOM 0 HG3 GLU A 39 1.540 4.286 -9.805 1.00 60.11 H new ATOM 628 N ILE A 40 1.667 -0.470 -7.767 1.00 42.20 N ATOM 629 CA ILE A 40 2.339 -1.621 -7.158 1.00 64.13 C ATOM 630 C ILE A 40 3.378 -2.222 -8.114 1.00 34.33 C ATOM 631 O ILE A 40 3.035 -2.761 -9.169 1.00 45.03 O ATOM 632 CB ILE A 40 1.327 -2.716 -6.743 1.00 4.21 C ATOM 633 CG1 ILE A 40 0.300 -2.155 -5.743 1.00 13.21 C ATOM 634 CG2 ILE A 40 2.055 -3.925 -6.155 1.00 40.33 C ATOM 635 CD1 ILE A 40 -0.769 -3.151 -5.333 1.00 1.43 C ATOM 0 H ILE A 40 0.753 -0.677 -8.169 1.00 42.20 H new ATOM 0 HA ILE A 40 2.844 -1.257 -6.264 1.00 64.13 H new ATOM 0 HB ILE A 40 0.789 -3.043 -7.633 1.00 4.21 H new ATOM 0 HG12 ILE A 40 0.825 -1.814 -4.851 1.00 13.21 H new ATOM 0 HG13 ILE A 40 -0.181 -1.282 -6.183 1.00 13.21 H new ATOM 0 HG21 ILE A 40 1.327 -4.684 -5.869 1.00 40.33 H new ATOM 0 HG22 ILE A 40 2.736 -4.337 -6.900 1.00 40.33 H new ATOM 0 HG23 ILE A 40 2.622 -3.617 -5.276 1.00 40.33 H new ATOM 0 HD11 ILE A 40 -1.454 -2.680 -4.628 1.00 1.43 H new ATOM 0 HD12 ILE A 40 -1.322 -3.475 -6.215 1.00 1.43 H new ATOM 0 HD13 ILE A 40 -0.300 -4.015 -4.862 1.00 1.43 H new ATOM 647 N ARG A 41 4.651 -2.120 -7.742 1.00 61.52 N ATOM 648 CA ARG A 41 5.740 -2.657 -8.561 1.00 53.43 C ATOM 649 C ARG A 41 5.930 -4.162 -8.315 1.00 23.33 C ATOM 650 O ARG A 41 6.033 -4.954 -9.253 1.00 62.21 O ATOM 651 CB ARG A 41 7.056 -1.923 -8.259 1.00 64.40 C ATOM 652 CG ARG A 41 6.955 -0.400 -8.275 1.00 50.40 C ATOM 653 CD ARG A 41 6.533 0.147 -9.635 1.00 54.41 C ATOM 654 NE ARG A 41 6.516 1.610 -9.642 1.00 62.22 N ATOM 655 CZ ARG A 41 5.735 2.338 -10.392 1.00 22.53 C ATOM 656 NH1 ARG A 41 4.950 1.790 -11.262 1.00 33.44 N ATOM 657 NH2 ARG A 41 5.765 3.625 -10.298 1.00 33.20 N ATOM 0 H ARG A 41 4.957 -1.671 -6.879 1.00 61.52 H new ATOM 0 HA ARG A 41 5.470 -2.503 -9.606 1.00 53.43 H new ATOM 0 HB2 ARG A 41 7.416 -2.239 -7.280 1.00 64.40 H new ATOM 0 HB3 ARG A 41 7.804 -2.232 -8.989 1.00 64.40 H new ATOM 0 HG2 ARG A 41 6.237 -0.080 -7.520 1.00 50.40 H new ATOM 0 HG3 ARG A 41 7.919 0.027 -7.999 1.00 50.40 H new ATOM 0 HD2 ARG A 41 7.218 -0.214 -10.402 1.00 54.41 H new ATOM 0 HD3 ARG A 41 5.543 -0.231 -9.889 1.00 54.41 H new ATOM 0 HE ARG A 41 7.160 2.095 -9.017 1.00 62.22 H new ATOM 0 HH11 ARG A 41 4.936 0.776 -11.369 1.00 33.44 H new ATOM 0 HH12 ARG A 41 4.345 2.372 -11.841 1.00 33.44 H new ATOM 0 HH21 ARG A 41 6.400 4.073 -9.637 1.00 33.20 H new ATOM 0 HH22 ARG A 41 5.154 4.194 -10.885 1.00 33.20 H new ATOM 671 N ASN A 42 5.994 -4.542 -7.038 1.00 34.14 N ATOM 672 CA ASN A 42 6.208 -5.942 -6.645 1.00 2.01 C ATOM 673 C ASN A 42 5.093 -6.412 -5.694 1.00 33.34 C ATOM 674 O ASN A 42 4.609 -5.636 -4.869 1.00 72.42 O ATOM 675 CB ASN A 42 7.579 -6.088 -5.971 1.00 1.21 C ATOM 676 CG ASN A 42 8.048 -7.531 -5.894 1.00 54.54 C ATOM 677 OD1 ASN A 42 7.250 -8.460 -5.873 1.00 5.24 O ATOM 678 ND2 ASN A 42 9.347 -7.728 -5.849 1.00 42.44 N ATOM 0 H ASN A 42 5.901 -3.899 -6.252 1.00 34.14 H new ATOM 0 HA ASN A 42 6.182 -6.566 -7.538 1.00 2.01 H new ATOM 0 HB2 ASN A 42 8.314 -5.501 -6.522 1.00 1.21 H new ATOM 0 HB3 ASN A 42 7.530 -5.673 -4.964 1.00 1.21 H new ATOM 0 HD21 ASN A 42 9.717 -8.677 -5.795 1.00 42.44 H new ATOM 0 HD22 ASN A 42 9.985 -6.932 -5.868 1.00 42.44 H new ATOM 685 N VAL A 43 4.704 -7.684 -5.799 1.00 51.00 N ATOM 686 CA VAL A 43 3.557 -8.204 -5.036 1.00 34.41 C ATOM 687 C VAL A 43 3.942 -9.305 -4.027 1.00 73.24 C ATOM 688 O VAL A 43 3.075 -9.855 -3.348 1.00 32.42 O ATOM 689 CB VAL A 43 2.465 -8.754 -5.989 1.00 3.31 C ATOM 690 CG1 VAL A 43 1.964 -7.657 -6.931 1.00 53.24 C ATOM 691 CG2 VAL A 43 2.986 -9.954 -6.779 1.00 2.30 C ATOM 0 H VAL A 43 5.159 -8.372 -6.399 1.00 51.00 H new ATOM 0 HA VAL A 43 3.173 -7.356 -4.469 1.00 34.41 H new ATOM 0 HB VAL A 43 1.624 -9.090 -5.382 1.00 3.31 H new ATOM 0 HG11 VAL A 43 1.198 -8.066 -7.591 1.00 53.24 H new ATOM 0 HG12 VAL A 43 1.541 -6.840 -6.346 1.00 53.24 H new ATOM 0 HG13 VAL A 43 2.795 -7.283 -7.528 1.00 53.24 H new ATOM 0 HG21 VAL A 43 2.202 -10.322 -7.441 1.00 2.30 H new ATOM 0 HG22 VAL A 43 3.849 -9.652 -7.372 1.00 2.30 H new ATOM 0 HG23 VAL A 43 3.279 -10.745 -6.088 1.00 2.30 H new ATOM 701 N VAL A 44 5.231 -9.631 -3.919 1.00 72.20 N ATOM 702 CA VAL A 44 5.672 -10.665 -2.973 1.00 44.05 C ATOM 703 C VAL A 44 5.678 -10.138 -1.524 1.00 4.34 C ATOM 704 O VAL A 44 6.343 -9.149 -1.210 1.00 63.01 O ATOM 705 CB VAL A 44 7.075 -11.230 -3.332 1.00 41.32 C ATOM 706 CG1 VAL A 44 8.143 -10.136 -3.308 1.00 31.14 C ATOM 707 CG2 VAL A 44 7.452 -12.384 -2.398 1.00 15.02 C ATOM 0 H VAL A 44 5.980 -9.204 -4.464 1.00 72.20 H new ATOM 0 HA VAL A 44 4.950 -11.478 -3.050 1.00 44.05 H new ATOM 0 HB VAL A 44 7.025 -11.617 -4.350 1.00 41.32 H new ATOM 0 HG11 VAL A 44 9.111 -10.567 -3.564 1.00 31.14 H new ATOM 0 HG12 VAL A 44 7.888 -9.362 -4.032 1.00 31.14 H new ATOM 0 HG13 VAL A 44 8.193 -9.698 -2.311 1.00 31.14 H new ATOM 0 HG21 VAL A 44 8.437 -12.764 -2.668 1.00 15.02 H new ATOM 0 HG22 VAL A 44 7.470 -12.027 -1.368 1.00 15.02 H new ATOM 0 HG23 VAL A 44 6.717 -13.183 -2.492 1.00 15.02 H new ATOM 717 N GLU A 45 4.931 -10.803 -0.647 1.00 74.02 N ATOM 718 CA GLU A 45 4.847 -10.401 0.760 1.00 62.31 C ATOM 719 C GLU A 45 5.828 -11.202 1.630 1.00 70.01 C ATOM 720 O GLU A 45 6.613 -12.012 1.126 1.00 64.30 O ATOM 721 CB GLU A 45 3.420 -10.591 1.290 1.00 43.20 C ATOM 722 CG GLU A 45 2.981 -12.050 1.382 1.00 52.32 C ATOM 723 CD GLU A 45 1.740 -12.241 2.241 1.00 31.34 C ATOM 724 OE1 GLU A 45 1.841 -12.067 3.476 1.00 44.33 O ATOM 725 OE2 GLU A 45 0.669 -12.583 1.699 1.00 4.10 O ATOM 0 H GLU A 45 4.373 -11.624 -0.883 1.00 74.02 H new ATOM 0 HA GLU A 45 5.116 -9.346 0.815 1.00 62.31 H new ATOM 0 HB2 GLU A 45 3.347 -10.137 2.278 1.00 43.20 H new ATOM 0 HB3 GLU A 45 2.728 -10.054 0.641 1.00 43.20 H new ATOM 0 HG2 GLU A 45 2.785 -12.429 0.379 1.00 52.32 H new ATOM 0 HG3 GLU A 45 3.797 -12.645 1.793 1.00 52.32 H new ATOM 732 N ASN A 46 5.770 -10.980 2.946 1.00 3.21 N ATOM 733 CA ASN A 46 6.636 -11.694 3.892 1.00 44.25 C ATOM 734 C ASN A 46 6.270 -13.191 3.948 1.00 74.41 C ATOM 735 O ASN A 46 5.403 -13.605 4.718 1.00 62.04 O ATOM 736 CB ASN A 46 6.527 -11.066 5.293 1.00 42.33 C ATOM 737 CG ASN A 46 7.538 -11.629 6.284 1.00 52.04 C ATOM 738 OD1 ASN A 46 7.985 -12.767 6.168 1.00 65.43 O ATOM 739 ND2 ASN A 46 7.902 -10.840 7.274 1.00 71.32 N ATOM 0 H ASN A 46 5.134 -10.312 3.382 1.00 3.21 H new ATOM 0 HA ASN A 46 7.666 -11.606 3.546 1.00 44.25 H new ATOM 0 HB2 ASN A 46 6.668 -9.988 5.213 1.00 42.33 H new ATOM 0 HB3 ASN A 46 5.521 -11.228 5.679 1.00 42.33 H new ATOM 0 HD21 ASN A 46 8.572 -11.170 7.969 1.00 71.32 H new ATOM 0 HD22 ASN A 46 7.514 -9.899 7.345 1.00 71.32 H new ATOM 746 N THR A 47 6.914 -13.989 3.101 1.00 31.24 N ATOM 747 CA THR A 47 6.692 -15.445 3.069 1.00 15.11 C ATOM 748 C THR A 47 8.017 -16.206 3.113 1.00 24.11 C ATOM 749 O THR A 47 9.090 -15.616 2.967 1.00 65.45 O ATOM 750 CB THR A 47 5.923 -15.887 1.796 1.00 60.30 C ATOM 751 OG1 THR A 47 6.619 -15.444 0.619 1.00 1.50 O ATOM 752 CG2 THR A 47 4.501 -15.336 1.781 1.00 63.21 C ATOM 0 H THR A 47 7.599 -13.657 2.422 1.00 31.24 H new ATOM 0 HA THR A 47 6.095 -15.680 3.950 1.00 15.11 H new ATOM 0 HB THR A 47 5.869 -16.976 1.805 1.00 60.30 H new ATOM 0 HG1 THR A 47 6.127 -15.729 -0.179 1.00 1.50 H new ATOM 0 HG21 THR A 47 3.993 -15.666 0.875 1.00 63.21 H new ATOM 0 HG22 THR A 47 3.960 -15.701 2.654 1.00 63.21 H new ATOM 0 HG23 THR A 47 4.533 -14.247 1.803 1.00 63.21 H new ATOM 760 N ALA A 48 7.941 -17.512 3.340 1.00 3.03 N ATOM 761 CA ALA A 48 9.121 -18.375 3.274 1.00 13.23 C ATOM 762 C ALA A 48 9.334 -18.889 1.844 1.00 75.41 C ATOM 763 O ALA A 48 10.466 -19.112 1.410 1.00 52.45 O ATOM 764 CB ALA A 48 8.980 -19.542 4.244 1.00 0.41 C ATOM 0 H ALA A 48 7.076 -18.000 3.572 1.00 3.03 H new ATOM 0 HA ALA A 48 9.994 -17.788 3.561 1.00 13.23 H new ATOM 0 HB1 ALA A 48 9.865 -20.175 4.183 1.00 0.41 H new ATOM 0 HB2 ALA A 48 8.876 -19.160 5.260 1.00 0.41 H new ATOM 0 HB3 ALA A 48 8.098 -20.127 3.984 1.00 0.41 H new ATOM 770 N ASN A 49 8.231 -19.058 1.112 1.00 54.45 N ATOM 771 CA ASN A 49 8.274 -19.557 -0.265 1.00 63.41 C ATOM 772 C ASN A 49 7.693 -18.537 -1.262 1.00 41.33 C ATOM 773 O ASN A 49 6.476 -18.471 -1.453 1.00 15.41 O ATOM 774 CB ASN A 49 7.500 -20.878 -0.377 1.00 71.14 C ATOM 775 CG ASN A 49 8.086 -21.971 0.495 1.00 32.05 C ATOM 776 OD1 ASN A 49 8.974 -22.706 0.076 1.00 41.45 O ATOM 777 ND2 ASN A 49 7.595 -22.101 1.711 1.00 53.12 N ATOM 0 H ASN A 49 7.291 -18.855 1.452 1.00 54.45 H new ATOM 0 HA ASN A 49 9.322 -19.721 -0.517 1.00 63.41 H new ATOM 0 HB2 ASN A 49 6.460 -20.711 -0.095 1.00 71.14 H new ATOM 0 HB3 ASN A 49 7.499 -21.208 -1.416 1.00 71.14 H new ATOM 0 HD21 ASN A 49 7.953 -22.828 2.331 1.00 53.12 H new ATOM 0 HD22 ASN A 49 6.857 -21.475 2.032 1.00 53.12 H new ATOM 784 N PRO A 50 8.551 -17.711 -1.896 1.00 64.31 N ATOM 785 CA PRO A 50 8.129 -16.804 -2.976 1.00 51.11 C ATOM 786 C PRO A 50 7.766 -17.574 -4.256 1.00 74.31 C ATOM 787 O PRO A 50 8.635 -17.894 -5.076 1.00 20.03 O ATOM 788 CB PRO A 50 9.357 -15.897 -3.203 1.00 44.20 C ATOM 789 CG PRO A 50 10.258 -16.151 -2.036 1.00 3.44 C ATOM 790 CD PRO A 50 9.983 -17.567 -1.605 1.00 22.40 C ATOM 0 HA PRO A 50 7.232 -16.243 -2.715 1.00 51.11 H new ATOM 0 HB2 PRO A 50 9.854 -16.137 -4.143 1.00 44.20 H new ATOM 0 HB3 PRO A 50 9.067 -14.848 -3.254 1.00 44.20 H new ATOM 0 HG2 PRO A 50 11.304 -16.023 -2.315 1.00 3.44 H new ATOM 0 HG3 PRO A 50 10.056 -15.450 -1.226 1.00 3.44 H new ATOM 0 HD2 PRO A 50 10.585 -18.285 -2.161 1.00 22.40 H new ATOM 0 HD3 PRO A 50 10.200 -17.720 -0.548 1.00 22.40 H new ATOM 798 N HIS A 51 6.483 -17.889 -4.409 1.00 72.21 N ATOM 799 CA HIS A 51 6.014 -18.723 -5.520 1.00 1.24 C ATOM 800 C HIS A 51 4.788 -18.112 -6.215 1.00 20.25 C ATOM 801 O HIS A 51 3.905 -17.559 -5.559 1.00 43.20 O ATOM 802 CB HIS A 51 5.678 -20.126 -4.996 1.00 0.24 C ATOM 803 CG HIS A 51 5.150 -21.062 -6.041 1.00 45.11 C ATOM 804 ND1 HIS A 51 3.804 -21.265 -6.253 1.00 52.15 N ATOM 805 CD2 HIS A 51 5.788 -21.856 -6.932 1.00 40.14 C ATOM 806 CE1 HIS A 51 3.638 -22.137 -7.225 1.00 21.20 C ATOM 807 NE2 HIS A 51 4.824 -22.512 -7.654 1.00 21.12 N ATOM 0 H HIS A 51 5.744 -17.580 -3.777 1.00 72.21 H new ATOM 0 HA HIS A 51 6.812 -18.783 -6.260 1.00 1.24 H new ATOM 0 HB2 HIS A 51 6.575 -20.561 -4.554 1.00 0.24 H new ATOM 0 HB3 HIS A 51 4.941 -20.037 -4.198 1.00 0.24 H new ATOM 0 HD2 HIS A 51 6.857 -21.955 -7.052 1.00 40.14 H new ATOM 0 HE1 HIS A 51 2.689 -22.485 -7.606 1.00 21.20 H new ATOM 0 HE2 HIS A 51 4.998 -23.182 -8.403 1.00 21.12 H new ATOM 816 N PHE A 52 4.753 -18.217 -7.547 1.00 12.15 N ATOM 817 CA PHE A 52 3.618 -17.743 -8.357 1.00 54.41 C ATOM 818 C PHE A 52 3.502 -16.203 -8.317 1.00 1.20 C ATOM 819 O PHE A 52 2.511 -15.627 -8.770 1.00 4.23 O ATOM 820 CB PHE A 52 2.312 -18.419 -7.886 1.00 42.44 C ATOM 821 CG PHE A 52 1.177 -18.367 -8.881 1.00 34.31 C ATOM 822 CD1 PHE A 52 1.236 -19.104 -10.056 1.00 13.44 C ATOM 823 CD2 PHE A 52 0.048 -17.601 -8.634 1.00 74.44 C ATOM 824 CE1 PHE A 52 0.193 -19.073 -10.963 1.00 23.41 C ATOM 825 CE2 PHE A 52 -0.996 -17.564 -9.538 1.00 31.43 C ATOM 826 CZ PHE A 52 -0.924 -18.302 -10.703 1.00 50.51 C ATOM 0 H PHE A 52 5.506 -18.631 -8.096 1.00 12.15 H new ATOM 0 HA PHE A 52 3.795 -18.023 -9.396 1.00 54.41 H new ATOM 0 HB2 PHE A 52 2.524 -19.462 -7.652 1.00 42.44 H new ATOM 0 HB3 PHE A 52 1.987 -17.944 -6.960 1.00 42.44 H new ATOM 0 HD1 PHE A 52 2.107 -19.708 -10.264 1.00 13.44 H new ATOM 0 HD2 PHE A 52 -0.016 -17.025 -7.722 1.00 74.44 H new ATOM 0 HE1 PHE A 52 0.251 -19.651 -11.874 1.00 23.41 H new ATOM 0 HE2 PHE A 52 -1.867 -16.959 -9.334 1.00 31.43 H new ATOM 0 HZ PHE A 52 -1.740 -18.277 -11.410 1.00 50.51 H new ATOM 836 N VAL A 53 4.553 -15.545 -7.814 1.00 13.32 N ATOM 837 CA VAL A 53 4.588 -14.078 -7.689 1.00 32.40 C ATOM 838 C VAL A 53 4.492 -13.378 -9.060 1.00 72.15 C ATOM 839 O VAL A 53 4.145 -12.197 -9.149 1.00 73.12 O ATOM 840 CB VAL A 53 5.881 -13.624 -6.956 1.00 13.11 C ATOM 841 CG1 VAL A 53 5.932 -12.105 -6.798 1.00 22.32 C ATOM 842 CG2 VAL A 53 6.001 -14.316 -5.596 1.00 4.33 C ATOM 0 H VAL A 53 5.399 -16.008 -7.483 1.00 13.32 H new ATOM 0 HA VAL A 53 3.717 -13.786 -7.103 1.00 32.40 H new ATOM 0 HB VAL A 53 6.732 -13.919 -7.570 1.00 13.11 H new ATOM 0 HG11 VAL A 53 6.850 -11.824 -6.281 1.00 22.32 H new ATOM 0 HG12 VAL A 53 5.911 -11.636 -7.782 1.00 22.32 H new ATOM 0 HG13 VAL A 53 5.072 -11.770 -6.218 1.00 22.32 H new ATOM 0 HG21 VAL A 53 6.913 -13.985 -5.099 1.00 4.33 H new ATOM 0 HG22 VAL A 53 5.138 -14.061 -4.980 1.00 4.33 H new ATOM 0 HG23 VAL A 53 6.038 -15.396 -5.739 1.00 4.33 H new ATOM 852 N ARG A 54 4.801 -14.114 -10.129 1.00 1.04 N ATOM 853 CA ARG A 54 4.673 -13.587 -11.495 1.00 74.42 C ATOM 854 C ARG A 54 3.213 -13.210 -11.813 1.00 34.23 C ATOM 855 O ARG A 54 2.938 -12.463 -12.751 1.00 1.01 O ATOM 856 CB ARG A 54 5.195 -14.616 -12.511 1.00 33.35 C ATOM 857 CG ARG A 54 5.196 -14.138 -13.968 1.00 64.32 C ATOM 858 CD ARG A 54 6.215 -13.022 -14.224 1.00 3.03 C ATOM 859 NE ARG A 54 5.905 -11.788 -13.497 1.00 11.01 N ATOM 860 CZ ARG A 54 5.430 -10.704 -14.052 1.00 0.51 C ATOM 861 NH1 ARG A 54 5.191 -10.667 -15.326 1.00 14.52 N ATOM 862 NH2 ARG A 54 5.180 -9.661 -13.328 1.00 52.52 N ATOM 0 H ARG A 54 5.141 -15.074 -10.079 1.00 1.04 H new ATOM 0 HA ARG A 54 5.275 -12.681 -11.567 1.00 74.42 H new ATOM 0 HB2 ARG A 54 6.212 -14.895 -12.234 1.00 33.35 H new ATOM 0 HB3 ARG A 54 4.586 -15.517 -12.439 1.00 33.35 H new ATOM 0 HG2 ARG A 54 5.415 -14.982 -14.623 1.00 64.32 H new ATOM 0 HG3 ARG A 54 4.200 -13.782 -14.230 1.00 64.32 H new ATOM 0 HD2 ARG A 54 7.207 -13.369 -13.934 1.00 3.03 H new ATOM 0 HD3 ARG A 54 6.252 -12.809 -15.292 1.00 3.03 H new ATOM 0 HE ARG A 54 6.071 -11.774 -12.491 1.00 11.01 H new ATOM 0 HH11 ARG A 54 5.374 -11.488 -15.903 1.00 14.52 H new ATOM 0 HH12 ARG A 54 4.820 -9.817 -15.751 1.00 14.52 H new ATOM 0 HH21 ARG A 54 5.354 -9.684 -12.323 1.00 52.52 H new ATOM 0 HH22 ARG A 54 4.809 -8.816 -13.762 1.00 52.52 H new ATOM 876 N ARG A 55 2.285 -13.735 -11.019 1.00 41.00 N ATOM 877 CA ARG A 55 0.870 -13.391 -11.140 1.00 62.22 C ATOM 878 C ARG A 55 0.437 -12.602 -9.891 1.00 52.30 C ATOM 879 O ARG A 55 0.496 -13.116 -8.776 1.00 34.42 O ATOM 880 CB ARG A 55 0.042 -14.678 -11.311 1.00 22.40 C ATOM 881 CG ARG A 55 -1.326 -14.489 -11.974 1.00 13.22 C ATOM 882 CD ARG A 55 -2.353 -13.833 -11.056 1.00 33.34 C ATOM 883 NE ARG A 55 -3.670 -13.772 -11.687 1.00 1.33 N ATOM 884 CZ ARG A 55 -4.686 -14.516 -11.346 1.00 64.24 C ATOM 885 NH1 ARG A 55 -4.593 -15.348 -10.354 1.00 73.44 N ATOM 886 NH2 ARG A 55 -5.795 -14.418 -12.001 1.00 51.12 N ATOM 0 H ARG A 55 2.489 -14.406 -10.278 1.00 41.00 H new ATOM 0 HA ARG A 55 0.703 -12.765 -12.017 1.00 62.22 H new ATOM 0 HB2 ARG A 55 0.620 -15.387 -11.903 1.00 22.40 H new ATOM 0 HB3 ARG A 55 -0.107 -15.129 -10.330 1.00 22.40 H new ATOM 0 HG2 ARG A 55 -1.207 -13.880 -12.870 1.00 13.22 H new ATOM 0 HG3 ARG A 55 -1.704 -15.459 -12.296 1.00 13.22 H new ATOM 0 HD2 ARG A 55 -2.420 -14.393 -10.123 1.00 33.34 H new ATOM 0 HD3 ARG A 55 -2.024 -12.826 -10.800 1.00 33.34 H new ATOM 0 HE ARG A 55 -3.804 -13.103 -12.445 1.00 1.33 H new ATOM 0 HH11 ARG A 55 -3.720 -15.425 -9.833 1.00 73.44 H new ATOM 0 HH12 ARG A 55 -5.393 -15.925 -10.096 1.00 73.44 H new ATOM 0 HH21 ARG A 55 -5.872 -13.762 -12.779 1.00 51.12 H new ATOM 0 HH22 ARG A 55 -6.594 -14.996 -11.741 1.00 51.12 H new ATOM 900 N ASN A 56 -0.001 -11.360 -10.087 1.00 33.32 N ATOM 901 CA ASN A 56 -0.251 -10.435 -8.970 1.00 5.32 C ATOM 902 C ASN A 56 -1.317 -10.952 -7.981 1.00 14.41 C ATOM 903 O ASN A 56 -2.521 -10.873 -8.238 1.00 45.42 O ATOM 904 CB ASN A 56 -0.649 -9.052 -9.504 1.00 63.53 C ATOM 905 CG ASN A 56 0.443 -8.425 -10.357 1.00 30.43 C ATOM 906 OD1 ASN A 56 1.624 -8.712 -10.192 1.00 54.33 O ATOM 907 ND2 ASN A 56 0.062 -7.552 -11.268 1.00 75.13 N ATOM 0 H ASN A 56 -0.192 -10.965 -11.008 1.00 33.32 H new ATOM 0 HA ASN A 56 0.683 -10.360 -8.412 1.00 5.32 H new ATOM 0 HB2 ASN A 56 -1.561 -9.142 -10.094 1.00 63.53 H new ATOM 0 HB3 ASN A 56 -0.875 -8.393 -8.666 1.00 63.53 H new ATOM 0 HD21 ASN A 56 0.757 -7.095 -11.859 1.00 75.13 H new ATOM 0 HD22 ASN A 56 -0.928 -7.333 -11.382 1.00 75.13 H new ATOM 914 N ILE A 57 -0.853 -11.489 -6.849 1.00 3.20 N ATOM 915 CA ILE A 57 -1.738 -11.924 -5.760 1.00 13.03 C ATOM 916 C ILE A 57 -1.791 -10.864 -4.644 1.00 4.32 C ATOM 917 O ILE A 57 -0.876 -10.763 -3.826 1.00 53.45 O ATOM 918 CB ILE A 57 -1.272 -13.274 -5.148 1.00 2.40 C ATOM 919 CG1 ILE A 57 -1.235 -14.371 -6.225 1.00 24.13 C ATOM 920 CG2 ILE A 57 -2.183 -13.688 -3.987 1.00 3.52 C ATOM 921 CD1 ILE A 57 -0.753 -15.715 -5.713 1.00 1.11 C ATOM 0 H ILE A 57 0.139 -11.635 -6.660 1.00 3.20 H new ATOM 0 HA ILE A 57 -2.730 -12.056 -6.191 1.00 13.03 H new ATOM 0 HB ILE A 57 -0.263 -13.141 -4.758 1.00 2.40 H new ATOM 0 HG12 ILE A 57 -2.234 -14.489 -6.644 1.00 24.13 H new ATOM 0 HG13 ILE A 57 -0.585 -14.048 -7.038 1.00 24.13 H new ATOM 0 HG21 ILE A 57 -1.838 -14.636 -3.574 1.00 3.52 H new ATOM 0 HG22 ILE A 57 -2.155 -12.922 -3.212 1.00 3.52 H new ATOM 0 HG23 ILE A 57 -3.205 -13.801 -4.349 1.00 3.52 H new ATOM 0 HD11 ILE A 57 -0.754 -16.437 -6.529 1.00 1.11 H new ATOM 0 HD12 ILE A 57 0.259 -15.613 -5.320 1.00 1.11 H new ATOM 0 HD13 ILE A 57 -1.417 -16.062 -4.921 1.00 1.11 H new ATOM 933 N ILE A 58 -2.855 -10.066 -4.626 1.00 3.50 N ATOM 934 CA ILE A 58 -3.026 -9.029 -3.600 1.00 23.23 C ATOM 935 C ILE A 58 -4.074 -9.454 -2.557 1.00 5.23 C ATOM 936 O ILE A 58 -5.217 -9.749 -2.902 1.00 23.53 O ATOM 937 CB ILE A 58 -3.455 -7.676 -4.229 1.00 43.01 C ATOM 938 CG1 ILE A 58 -2.443 -7.233 -5.299 1.00 5.00 C ATOM 939 CG2 ILE A 58 -3.608 -6.600 -3.152 1.00 2.10 C ATOM 940 CD1 ILE A 58 -1.035 -7.044 -4.774 1.00 31.11 C ATOM 0 H ILE A 58 -3.613 -10.113 -5.307 1.00 3.50 H new ATOM 0 HA ILE A 58 -2.060 -8.902 -3.111 1.00 23.23 H new ATOM 0 HB ILE A 58 -4.424 -7.815 -4.709 1.00 43.01 H new ATOM 0 HG12 ILE A 58 -2.426 -7.975 -6.097 1.00 5.00 H new ATOM 0 HG13 ILE A 58 -2.784 -6.297 -5.741 1.00 5.00 H new ATOM 0 HG21 ILE A 58 -3.909 -5.661 -3.616 1.00 2.10 H new ATOM 0 HG22 ILE A 58 -4.367 -6.910 -2.434 1.00 2.10 H new ATOM 0 HG23 ILE A 58 -2.657 -6.462 -2.638 1.00 2.10 H new ATOM 0 HD11 ILE A 58 -0.382 -6.732 -5.589 1.00 31.11 H new ATOM 0 HD12 ILE A 58 -1.036 -6.280 -3.997 1.00 31.11 H new ATOM 0 HD13 ILE A 58 -0.672 -7.984 -4.358 1.00 31.11 H new ATOM 952 N THR A 59 -3.683 -9.492 -1.284 1.00 73.53 N ATOM 953 CA THR A 59 -4.612 -9.862 -0.202 1.00 70.01 C ATOM 954 C THR A 59 -4.292 -9.124 1.104 1.00 42.04 C ATOM 955 O THR A 59 -3.249 -8.482 1.230 1.00 40.03 O ATOM 956 CB THR A 59 -4.608 -11.388 0.070 1.00 73.33 C ATOM 957 OG1 THR A 59 -5.605 -11.716 1.056 1.00 11.55 O ATOM 958 CG2 THR A 59 -3.238 -11.862 0.549 1.00 2.10 C ATOM 0 H THR A 59 -2.737 -9.274 -0.972 1.00 73.53 H new ATOM 0 HA THR A 59 -5.603 -9.565 -0.546 1.00 70.01 H new ATOM 0 HB THR A 59 -4.838 -11.896 -0.867 1.00 73.33 H new ATOM 0 HG1 THR A 59 -5.597 -12.682 1.221 1.00 11.55 H new ATOM 0 HG21 THR A 59 -3.268 -12.936 0.731 1.00 2.10 H new ATOM 0 HG22 THR A 59 -2.490 -11.644 -0.214 1.00 2.10 H new ATOM 0 HG23 THR A 59 -2.976 -11.345 1.472 1.00 2.10 H new ATOM 966 N ARG A 60 -5.199 -9.229 2.075 1.00 62.31 N ATOM 967 CA ARG A 60 -5.028 -8.578 3.378 1.00 52.45 C ATOM 968 C ARG A 60 -3.799 -9.134 4.119 1.00 61.31 C ATOM 969 O ARG A 60 -3.683 -10.342 4.326 1.00 2.05 O ATOM 970 CB ARG A 60 -6.283 -8.782 4.238 1.00 63.11 C ATOM 971 CG ARG A 60 -6.215 -8.110 5.607 1.00 13.54 C ATOM 972 CD ARG A 60 -7.324 -8.603 6.528 1.00 4.23 C ATOM 973 NE ARG A 60 -7.236 -10.045 6.752 1.00 75.03 N ATOM 974 CZ ARG A 60 -8.041 -10.726 7.519 1.00 20.22 C ATOM 975 NH1 ARG A 60 -8.995 -10.143 8.174 1.00 2.23 N ATOM 976 NH2 ARG A 60 -7.883 -12.003 7.632 1.00 41.25 N ATOM 0 H ARG A 60 -6.065 -9.761 1.985 1.00 62.31 H new ATOM 0 HA ARG A 60 -4.874 -7.513 3.204 1.00 52.45 H new ATOM 0 HB2 ARG A 60 -7.147 -8.396 3.698 1.00 63.11 H new ATOM 0 HB3 ARG A 60 -6.445 -9.851 4.377 1.00 63.11 H new ATOM 0 HG2 ARG A 60 -5.246 -8.310 6.064 1.00 13.54 H new ATOM 0 HG3 ARG A 60 -6.294 -7.029 5.487 1.00 13.54 H new ATOM 0 HD2 ARG A 60 -7.263 -8.081 7.483 1.00 4.23 H new ATOM 0 HD3 ARG A 60 -8.294 -8.360 6.093 1.00 4.23 H new ATOM 0 HE ARG A 60 -6.492 -10.554 6.275 1.00 75.03 H new ATOM 0 HH11 ARG A 60 -9.126 -9.135 8.094 1.00 2.23 H new ATOM 0 HH12 ARG A 60 -9.615 -10.692 8.769 1.00 2.23 H new ATOM 0 HH21 ARG A 60 -7.133 -12.471 7.123 1.00 41.25 H new ATOM 0 HH22 ARG A 60 -8.508 -12.543 8.230 1.00 41.25 H new ATOM 990 N GLY A 61 -2.893 -8.246 4.514 1.00 11.25 N ATOM 991 CA GLY A 61 -1.683 -8.662 5.219 1.00 51.42 C ATOM 992 C GLY A 61 -0.450 -8.698 4.323 1.00 42.14 C ATOM 993 O GLY A 61 0.682 -8.757 4.812 1.00 61.44 O ATOM 0 H GLY A 61 -2.971 -7.241 4.360 1.00 11.25 H new ATOM 0 HA2 GLY A 61 -1.501 -7.980 6.050 1.00 51.42 H new ATOM 0 HA3 GLY A 61 -1.842 -9.651 5.648 1.00 51.42 H new ATOM 997 N ALA A 62 -0.663 -8.659 3.009 1.00 13.32 N ATOM 998 CA ALA A 62 0.443 -8.672 2.047 1.00 35.04 C ATOM 999 C ALA A 62 1.150 -7.310 1.981 1.00 24.30 C ATOM 1000 O ALA A 62 0.505 -6.263 1.990 1.00 0.33 O ATOM 1001 CB ALA A 62 -0.064 -9.071 0.665 1.00 31.20 C ATOM 0 H ALA A 62 -1.589 -8.618 2.584 1.00 13.32 H new ATOM 0 HA ALA A 62 1.171 -9.409 2.387 1.00 35.04 H new ATOM 0 HB1 ALA A 62 0.767 -9.077 -0.040 1.00 31.20 H new ATOM 0 HB2 ALA A 62 -0.506 -10.066 0.713 1.00 31.20 H new ATOM 0 HB3 ALA A 62 -0.816 -8.356 0.333 1.00 31.20 H new ATOM 1007 N VAL A 63 2.480 -7.326 1.925 1.00 33.45 N ATOM 1008 CA VAL A 63 3.269 -6.093 1.811 1.00 40.11 C ATOM 1009 C VAL A 63 3.838 -5.933 0.393 1.00 31.31 C ATOM 1010 O VAL A 63 4.716 -6.688 -0.025 1.00 42.40 O ATOM 1011 CB VAL A 63 4.433 -6.075 2.834 1.00 74.11 C ATOM 1012 CG1 VAL A 63 5.221 -4.771 2.740 1.00 3.45 C ATOM 1013 CG2 VAL A 63 3.907 -6.287 4.252 1.00 23.15 C ATOM 0 H VAL A 63 3.038 -8.179 1.957 1.00 33.45 H new ATOM 0 HA VAL A 63 2.598 -5.261 2.024 1.00 40.11 H new ATOM 0 HB VAL A 63 5.109 -6.896 2.593 1.00 74.11 H new ATOM 0 HG11 VAL A 63 6.032 -4.783 3.468 1.00 3.45 H new ATOM 0 HG12 VAL A 63 5.635 -4.667 1.737 1.00 3.45 H new ATOM 0 HG13 VAL A 63 4.559 -3.930 2.948 1.00 3.45 H new ATOM 0 HG21 VAL A 63 4.740 -6.271 4.955 1.00 23.15 H new ATOM 0 HG22 VAL A 63 3.205 -5.491 4.502 1.00 23.15 H new ATOM 0 HG23 VAL A 63 3.400 -7.250 4.312 1.00 23.15 H new ATOM 1023 N VAL A 64 3.347 -4.934 -0.337 1.00 14.43 N ATOM 1024 CA VAL A 64 3.742 -4.728 -1.737 1.00 50.31 C ATOM 1025 C VAL A 64 4.700 -3.534 -1.911 1.00 62.10 C ATOM 1026 O VAL A 64 4.534 -2.491 -1.284 1.00 13.20 O ATOM 1027 CB VAL A 64 2.495 -4.519 -2.631 1.00 4.13 C ATOM 1028 CG1 VAL A 64 1.608 -5.763 -2.626 1.00 74.12 C ATOM 1029 CG2 VAL A 64 1.702 -3.289 -2.188 1.00 2.33 C ATOM 0 H VAL A 64 2.675 -4.252 0.014 1.00 14.43 H new ATOM 0 HA VAL A 64 4.272 -5.630 -2.045 1.00 50.31 H new ATOM 0 HB VAL A 64 2.839 -4.349 -3.651 1.00 4.13 H new ATOM 0 HG11 VAL A 64 0.738 -5.592 -3.261 1.00 74.12 H new ATOM 0 HG12 VAL A 64 2.173 -6.614 -3.006 1.00 74.12 H new ATOM 0 HG13 VAL A 64 1.279 -5.971 -1.608 1.00 74.12 H new ATOM 0 HG21 VAL A 64 0.832 -3.166 -2.833 1.00 2.33 H new ATOM 0 HG22 VAL A 64 1.374 -3.420 -1.157 1.00 2.33 H new ATOM 0 HG23 VAL A 64 2.334 -2.404 -2.258 1.00 2.33 H new ATOM 1039 N GLU A 65 5.705 -3.698 -2.771 1.00 51.54 N ATOM 1040 CA GLU A 65 6.655 -2.616 -3.070 1.00 63.25 C ATOM 1041 C GLU A 65 6.074 -1.659 -4.130 1.00 75.51 C ATOM 1042 O GLU A 65 5.820 -2.059 -5.268 1.00 22.15 O ATOM 1043 CB GLU A 65 7.989 -3.205 -3.561 1.00 34.53 C ATOM 1044 CG GLU A 65 9.101 -2.174 -3.774 1.00 71.35 C ATOM 1045 CD GLU A 65 9.623 -1.569 -2.475 1.00 75.14 C ATOM 1046 OE1 GLU A 65 10.541 -2.161 -1.857 1.00 54.24 O ATOM 1047 OE2 GLU A 65 9.129 -0.499 -2.067 1.00 73.12 O ATOM 0 H GLU A 65 5.886 -4.567 -3.274 1.00 51.54 H new ATOM 0 HA GLU A 65 6.832 -2.049 -2.156 1.00 63.25 H new ATOM 0 HB2 GLU A 65 8.332 -3.946 -2.839 1.00 34.53 H new ATOM 0 HB3 GLU A 65 7.815 -3.732 -4.499 1.00 34.53 H new ATOM 0 HG2 GLU A 65 9.928 -2.647 -4.304 1.00 71.35 H new ATOM 0 HG3 GLU A 65 8.727 -1.375 -4.414 1.00 71.35 H new ATOM 1054 N THR A 66 5.856 -0.398 -3.747 1.00 44.45 N ATOM 1055 CA THR A 66 5.265 0.613 -4.649 1.00 12.33 C ATOM 1056 C THR A 66 6.199 1.817 -4.844 1.00 71.21 C ATOM 1057 O THR A 66 7.281 1.880 -4.258 1.00 51.42 O ATOM 1058 CB THR A 66 3.919 1.145 -4.099 1.00 25.32 C ATOM 1059 OG1 THR A 66 4.150 1.939 -2.924 1.00 25.21 O ATOM 1060 CG2 THR A 66 2.963 0.002 -3.763 1.00 23.13 C ATOM 0 H THR A 66 6.079 -0.045 -2.816 1.00 44.45 H new ATOM 0 HA THR A 66 5.108 0.109 -5.602 1.00 12.33 H new ATOM 0 HB THR A 66 3.460 1.758 -4.875 1.00 25.32 H new ATOM 0 HG1 THR A 66 4.703 1.434 -2.292 1.00 25.21 H new ATOM 0 HG21 THR A 66 2.028 0.410 -3.380 1.00 23.13 H new ATOM 0 HG22 THR A 66 2.763 -0.581 -4.662 1.00 23.13 H new ATOM 0 HG23 THR A 66 3.415 -0.640 -3.007 1.00 23.13 H new ATOM 1068 N ASN A 67 5.768 2.791 -5.654 1.00 64.12 N ATOM 1069 CA ASN A 67 6.559 4.012 -5.881 1.00 1.41 C ATOM 1070 C ASN A 67 6.691 4.858 -4.600 1.00 31.13 C ATOM 1071 O ASN A 67 7.577 5.708 -4.494 1.00 40.21 O ATOM 1072 CB ASN A 67 5.956 4.843 -7.018 1.00 70.11 C ATOM 1073 CG ASN A 67 4.508 5.217 -6.766 1.00 71.03 C ATOM 1074 OD1 ASN A 67 3.602 4.467 -7.094 1.00 60.21 O ATOM 1075 ND2 ASN A 67 4.277 6.379 -6.192 1.00 43.00 N ATOM 0 H ASN A 67 4.883 2.761 -6.161 1.00 64.12 H new ATOM 0 HA ASN A 67 7.563 3.701 -6.170 1.00 1.41 H new ATOM 0 HB2 ASN A 67 6.544 5.751 -7.150 1.00 70.11 H new ATOM 0 HB3 ASN A 67 6.025 4.281 -7.949 1.00 70.11 H new ATOM 0 HD21 ASN A 67 3.318 6.676 -6.009 1.00 43.00 H new ATOM 0 HD22 ASN A 67 5.057 6.982 -5.930 1.00 43.00 H new ATOM 1082 N LEU A 68 5.802 4.630 -3.634 1.00 43.42 N ATOM 1083 CA LEU A 68 5.899 5.288 -2.323 1.00 45.21 C ATOM 1084 C LEU A 68 6.670 4.415 -1.324 1.00 13.01 C ATOM 1085 O LEU A 68 7.235 4.915 -0.350 1.00 72.11 O ATOM 1086 CB LEU A 68 4.498 5.606 -1.777 1.00 44.12 C ATOM 1087 CG LEU A 68 3.713 6.668 -2.564 1.00 52.42 C ATOM 1088 CD1 LEU A 68 2.323 6.864 -1.968 1.00 34.43 C ATOM 1089 CD2 LEU A 68 4.476 7.992 -2.590 1.00 24.25 C ATOM 0 H LEU A 68 5.007 3.998 -3.730 1.00 43.42 H new ATOM 0 HA LEU A 68 6.447 6.221 -2.455 1.00 45.21 H new ATOM 0 HB2 LEU A 68 3.915 4.685 -1.760 1.00 44.12 H new ATOM 0 HB3 LEU A 68 4.596 5.941 -0.744 1.00 44.12 H new ATOM 0 HG LEU A 68 3.599 6.316 -3.589 1.00 52.42 H new ATOM 0 HD11 LEU A 68 1.785 7.620 -2.540 1.00 34.43 H new ATOM 0 HD12 LEU A 68 1.775 5.922 -2.005 1.00 34.43 H new ATOM 0 HD13 LEU A 68 2.414 7.190 -0.932 1.00 34.43 H new ATOM 0 HD21 LEU A 68 3.904 8.731 -3.152 1.00 24.25 H new ATOM 0 HD22 LEU A 68 4.624 8.347 -1.570 1.00 24.25 H new ATOM 0 HD23 LEU A 68 5.445 7.844 -3.067 1.00 24.25 H new ATOM 1101 N GLY A 69 6.692 3.106 -1.573 1.00 65.14 N ATOM 1102 CA GLY A 69 7.388 2.183 -0.688 1.00 64.42 C ATOM 1103 C GLY A 69 6.593 0.920 -0.386 1.00 34.12 C ATOM 1104 O GLY A 69 5.649 0.585 -1.103 1.00 52.44 O ATOM 0 H GLY A 69 6.239 2.667 -2.374 1.00 65.14 H new ATOM 0 HA2 GLY A 69 8.340 1.905 -1.141 1.00 64.42 H new ATOM 0 HA3 GLY A 69 7.617 2.692 0.248 1.00 64.42 H new ATOM 1108 N ASN A 70 6.977 0.213 0.679 1.00 53.42 N ATOM 1109 CA ASN A 70 6.272 -1.009 1.086 1.00 11.00 C ATOM 1110 C ASN A 70 4.898 -0.669 1.670 1.00 13.21 C ATOM 1111 O ASN A 70 4.798 0.013 2.684 1.00 30.02 O ATOM 1112 CB ASN A 70 7.090 -1.795 2.120 1.00 61.40 C ATOM 1113 CG ASN A 70 8.468 -2.189 1.621 1.00 13.42 C ATOM 1114 OD1 ASN A 70 9.401 -2.331 2.403 1.00 14.33 O ATOM 1115 ND2 ASN A 70 8.616 -2.363 0.323 1.00 41.21 N ATOM 0 H ASN A 70 7.767 0.462 1.274 1.00 53.42 H new ATOM 0 HA ASN A 70 6.140 -1.628 0.198 1.00 11.00 H new ATOM 0 HB2 ASN A 70 7.196 -1.193 3.023 1.00 61.40 H new ATOM 0 HB3 ASN A 70 6.541 -2.694 2.399 1.00 61.40 H new ATOM 0 HD21 ASN A 70 9.526 -2.623 -0.056 1.00 41.21 H new ATOM 0 HD22 ASN A 70 7.820 -2.237 -0.302 1.00 41.21 H new ATOM 1122 N VAL A 71 3.844 -1.136 1.028 1.00 12.12 N ATOM 1123 CA VAL A 71 2.484 -0.872 1.493 1.00 63.22 C ATOM 1124 C VAL A 71 1.821 -2.153 2.020 1.00 22.43 C ATOM 1125 O VAL A 71 1.693 -3.141 1.297 1.00 61.13 O ATOM 1126 CB VAL A 71 1.624 -0.274 0.355 1.00 61.54 C ATOM 1127 CG1 VAL A 71 0.238 0.113 0.863 1.00 12.45 C ATOM 1128 CG2 VAL A 71 2.331 0.924 -0.278 1.00 25.43 C ATOM 0 H VAL A 71 3.897 -1.702 0.181 1.00 12.12 H new ATOM 0 HA VAL A 71 2.550 -0.151 2.308 1.00 63.22 H new ATOM 0 HB VAL A 71 1.495 -1.037 -0.412 1.00 61.54 H new ATOM 0 HG11 VAL A 71 -0.346 0.531 0.043 1.00 12.45 H new ATOM 0 HG12 VAL A 71 -0.266 -0.771 1.254 1.00 12.45 H new ATOM 0 HG13 VAL A 71 0.335 0.856 1.655 1.00 12.45 H new ATOM 0 HG21 VAL A 71 1.711 1.332 -1.077 1.00 25.43 H new ATOM 0 HG22 VAL A 71 2.498 1.690 0.479 1.00 25.43 H new ATOM 0 HG23 VAL A 71 3.289 0.606 -0.689 1.00 25.43 H new ATOM 1138 N ARG A 72 1.416 -2.139 3.289 1.00 44.01 N ATOM 1139 CA ARG A 72 0.745 -3.290 3.896 1.00 22.33 C ATOM 1140 C ARG A 72 -0.761 -3.252 3.596 1.00 24.14 C ATOM 1141 O ARG A 72 -1.489 -2.406 4.119 1.00 15.24 O ATOM 1142 CB ARG A 72 0.989 -3.315 5.412 1.00 24.03 C ATOM 1143 CG ARG A 72 0.496 -4.588 6.096 1.00 54.42 C ATOM 1144 CD ARG A 72 0.741 -4.553 7.602 1.00 72.40 C ATOM 1145 NE ARG A 72 2.167 -4.436 7.933 1.00 15.23 N ATOM 1146 CZ ARG A 72 2.657 -3.573 8.788 1.00 65.01 C ATOM 1147 NH1 ARG A 72 1.882 -2.740 9.395 1.00 23.00 N ATOM 1148 NH2 ARG A 72 3.929 -3.543 9.026 1.00 74.41 N ATOM 0 H ARG A 72 1.540 -1.345 3.917 1.00 44.01 H new ATOM 0 HA ARG A 72 1.161 -4.200 3.464 1.00 22.33 H new ATOM 0 HB2 ARG A 72 2.057 -3.203 5.600 1.00 24.03 H new ATOM 0 HB3 ARG A 72 0.494 -2.456 5.864 1.00 24.03 H new ATOM 0 HG2 ARG A 72 -0.569 -4.715 5.904 1.00 54.42 H new ATOM 0 HG3 ARG A 72 1.003 -5.452 5.665 1.00 54.42 H new ATOM 0 HD2 ARG A 72 0.200 -3.713 8.036 1.00 72.40 H new ATOM 0 HD3 ARG A 72 0.339 -5.459 8.054 1.00 72.40 H new ATOM 0 HE ARG A 72 2.818 -5.068 7.467 1.00 15.23 H new ATOM 0 HH11 ARG A 72 0.879 -2.750 9.211 1.00 23.00 H new ATOM 0 HH12 ARG A 72 2.272 -2.071 10.059 1.00 23.00 H new ATOM 0 HH21 ARG A 72 4.553 -4.193 8.547 1.00 74.41 H new ATOM 0 HH22 ARG A 72 4.307 -2.870 9.692 1.00 74.41 H new ATOM 1162 N VAL A 73 -1.211 -4.173 2.751 1.00 74.01 N ATOM 1163 CA VAL A 73 -2.595 -4.189 2.264 1.00 35.21 C ATOM 1164 C VAL A 73 -3.612 -4.456 3.390 1.00 71.12 C ATOM 1165 O VAL A 73 -3.568 -5.496 4.054 1.00 31.32 O ATOM 1166 CB VAL A 73 -2.782 -5.248 1.146 1.00 53.42 C ATOM 1167 CG1 VAL A 73 -4.207 -5.227 0.601 1.00 52.45 C ATOM 1168 CG2 VAL A 73 -1.769 -5.029 0.022 1.00 31.05 C ATOM 0 H VAL A 73 -0.633 -4.929 2.383 1.00 74.01 H new ATOM 0 HA VAL A 73 -2.786 -3.194 1.861 1.00 35.21 H new ATOM 0 HB VAL A 73 -2.605 -6.232 1.581 1.00 53.42 H new ATOM 0 HG11 VAL A 73 -4.309 -5.979 -0.181 1.00 52.45 H new ATOM 0 HG12 VAL A 73 -4.908 -5.444 1.407 1.00 52.45 H new ATOM 0 HG13 VAL A 73 -4.424 -4.242 0.187 1.00 52.45 H new ATOM 0 HG21 VAL A 73 -1.916 -5.782 -0.752 1.00 31.05 H new ATOM 0 HG22 VAL A 73 -1.909 -4.036 -0.406 1.00 31.05 H new ATOM 0 HG23 VAL A 73 -0.758 -5.113 0.422 1.00 31.05 H new ATOM 1178 N THR A 74 -4.520 -3.507 3.596 1.00 12.04 N ATOM 1179 CA THR A 74 -5.572 -3.637 4.612 1.00 4.03 C ATOM 1180 C THR A 74 -6.832 -4.300 4.040 1.00 14.11 C ATOM 1181 O THR A 74 -7.466 -5.126 4.698 1.00 63.12 O ATOM 1182 CB THR A 74 -5.965 -2.260 5.198 1.00 2.24 C ATOM 1183 OG1 THR A 74 -6.463 -1.407 4.156 1.00 40.32 O ATOM 1184 CG2 THR A 74 -4.774 -1.592 5.883 1.00 53.52 C ATOM 0 H THR A 74 -4.552 -2.633 3.072 1.00 12.04 H new ATOM 0 HA THR A 74 -5.159 -4.266 5.401 1.00 4.03 H new ATOM 0 HB THR A 74 -6.745 -2.421 5.943 1.00 2.24 H new ATOM 0 HG1 THR A 74 -6.711 -0.538 4.535 1.00 40.32 H new ATOM 0 HG21 THR A 74 -5.080 -0.626 6.285 1.00 53.52 H new ATOM 0 HG22 THR A 74 -4.418 -2.227 6.695 1.00 53.52 H new ATOM 0 HG23 THR A 74 -3.973 -1.446 5.159 1.00 53.52 H new ATOM 1192 N SER A 75 -7.193 -3.933 2.814 1.00 44.14 N ATOM 1193 CA SER A 75 -8.402 -4.469 2.168 1.00 24.21 C ATOM 1194 C SER A 75 -8.078 -5.136 0.825 1.00 33.04 C ATOM 1195 O SER A 75 -7.258 -4.638 0.052 1.00 64.03 O ATOM 1196 CB SER A 75 -9.434 -3.354 1.954 1.00 42.22 C ATOM 1197 OG SER A 75 -10.635 -3.866 1.393 1.00 2.52 O ATOM 0 H SER A 75 -6.671 -3.268 2.243 1.00 44.14 H new ATOM 0 HA SER A 75 -8.818 -5.226 2.833 1.00 24.21 H new ATOM 0 HB2 SER A 75 -9.652 -2.869 2.906 1.00 42.22 H new ATOM 0 HB3 SER A 75 -9.018 -2.591 1.295 1.00 42.22 H new ATOM 0 HG SER A 75 -11.276 -3.135 1.269 1.00 2.52 H new ATOM 1203 N ARG A 76 -8.742 -6.260 0.551 1.00 73.41 N ATOM 1204 CA ARG A 76 -8.511 -7.028 -0.683 1.00 3.41 C ATOM 1205 C ARG A 76 -8.940 -6.247 -1.947 1.00 1.24 C ATOM 1206 O ARG A 76 -9.840 -5.406 -1.899 1.00 13.43 O ATOM 1207 CB ARG A 76 -9.248 -8.374 -0.606 1.00 3.15 C ATOM 1208 CG ARG A 76 -8.739 -9.287 0.507 1.00 62.25 C ATOM 1209 CD ARG A 76 -9.446 -10.640 0.504 1.00 54.04 C ATOM 1210 NE ARG A 76 -8.991 -11.501 1.595 1.00 10.21 N ATOM 1211 CZ ARG A 76 -9.237 -12.781 1.674 1.00 62.02 C ATOM 1212 NH1 ARG A 76 -9.911 -13.383 0.747 1.00 72.42 N ATOM 1213 NH2 ARG A 76 -8.797 -13.462 2.682 1.00 20.23 N ATOM 0 H ARG A 76 -9.448 -6.664 1.167 1.00 73.41 H new ATOM 0 HA ARG A 76 -7.439 -7.205 -0.767 1.00 3.41 H new ATOM 0 HB2 ARG A 76 -10.311 -8.188 -0.454 1.00 3.15 H new ATOM 0 HB3 ARG A 76 -9.147 -8.889 -1.561 1.00 3.15 H new ATOM 0 HG2 ARG A 76 -7.666 -9.438 0.390 1.00 62.25 H new ATOM 0 HG3 ARG A 76 -8.889 -8.802 1.471 1.00 62.25 H new ATOM 0 HD2 ARG A 76 -10.522 -10.487 0.588 1.00 54.04 H new ATOM 0 HD3 ARG A 76 -9.269 -11.139 -0.449 1.00 54.04 H new ATOM 0 HE ARG A 76 -8.446 -11.074 2.343 1.00 10.21 H new ATOM 0 HH11 ARG A 76 -10.256 -12.857 -0.056 1.00 72.42 H new ATOM 0 HH12 ARG A 76 -10.097 -14.383 0.820 1.00 72.42 H new ATOM 0 HH21 ARG A 76 -8.258 -12.999 3.414 1.00 20.23 H new ATOM 0 HH22 ARG A 76 -8.989 -14.462 2.745 1.00 20.23 H new ATOM 1227 N PRO A 77 -8.325 -6.560 -3.112 1.00 32.44 N ATOM 1228 CA PRO A 77 -8.510 -5.791 -4.363 1.00 41.41 C ATOM 1229 C PRO A 77 -9.854 -6.035 -5.074 1.00 62.44 C ATOM 1230 O PRO A 77 -9.904 -6.100 -6.305 1.00 44.21 O ATOM 1231 CB PRO A 77 -7.353 -6.302 -5.234 1.00 13.04 C ATOM 1232 CG PRO A 77 -7.162 -7.709 -4.793 1.00 32.42 C ATOM 1233 CD PRO A 77 -7.399 -7.698 -3.307 1.00 55.33 C ATOM 0 HA PRO A 77 -8.516 -4.719 -4.168 1.00 41.41 H new ATOM 0 HB2 PRO A 77 -7.598 -6.246 -6.295 1.00 13.04 H new ATOM 0 HB3 PRO A 77 -6.450 -5.711 -5.084 1.00 13.04 H new ATOM 0 HG2 PRO A 77 -7.860 -8.377 -5.297 1.00 32.42 H new ATOM 0 HG3 PRO A 77 -6.158 -8.061 -5.028 1.00 32.42 H new ATOM 0 HD2 PRO A 77 -7.837 -8.635 -2.964 1.00 55.33 H new ATOM 0 HD3 PRO A 77 -6.470 -7.559 -2.754 1.00 55.33 H new ATOM 1241 N GLY A 78 -10.938 -6.144 -4.312 1.00 22.31 N ATOM 1242 CA GLY A 78 -12.250 -6.347 -4.916 1.00 30.43 C ATOM 1243 C GLY A 78 -13.401 -6.293 -3.914 1.00 53.14 C ATOM 1244 O GLY A 78 -14.445 -6.906 -4.131 1.00 53.21 O ATOM 0 H GLY A 78 -10.936 -6.096 -3.293 1.00 22.31 H new ATOM 0 HA2 GLY A 78 -12.410 -5.587 -5.681 1.00 30.43 H new ATOM 0 HA3 GLY A 78 -12.263 -7.314 -5.419 1.00 30.43 H new ATOM 1248 N GLN A 79 -13.215 -5.560 -2.814 1.00 33.11 N ATOM 1249 CA GLN A 79 -14.265 -5.427 -1.796 1.00 24.51 C ATOM 1250 C GLN A 79 -15.117 -4.172 -2.039 1.00 61.12 C ATOM 1251 O GLN A 79 -16.315 -4.268 -2.310 1.00 73.41 O ATOM 1252 CB GLN A 79 -13.647 -5.401 -0.388 1.00 32.12 C ATOM 1253 CG GLN A 79 -12.771 -6.614 -0.083 1.00 42.23 C ATOM 1254 CD GLN A 79 -13.510 -7.940 -0.230 1.00 62.42 C ATOM 1255 OE1 GLN A 79 -14.709 -8.035 0.012 1.00 73.03 O ATOM 1256 NE2 GLN A 79 -12.800 -8.970 -0.643 1.00 12.53 N ATOM 0 H GLN A 79 -12.355 -5.052 -2.604 1.00 33.11 H new ATOM 0 HA GLN A 79 -14.921 -6.294 -1.871 1.00 24.51 H new ATOM 0 HB2 GLN A 79 -13.050 -4.495 -0.279 1.00 32.12 H new ATOM 0 HB3 GLN A 79 -14.447 -5.346 0.350 1.00 32.12 H new ATOM 0 HG2 GLN A 79 -11.910 -6.609 -0.751 1.00 42.23 H new ATOM 0 HG3 GLN A 79 -12.387 -6.530 0.934 1.00 42.23 H new ATOM 0 HE21 GLN A 79 -11.805 -8.859 -0.836 1.00 12.53 H new ATOM 0 HE22 GLN A 79 -13.246 -9.879 -0.770 1.00 12.53 H new ATOM 1265 N ASP A 80 -14.502 -2.992 -1.944 1.00 52.11 N ATOM 1266 CA ASP A 80 -15.213 -1.732 -2.208 1.00 5.33 C ATOM 1267 C ASP A 80 -14.859 -1.173 -3.601 1.00 5.15 C ATOM 1268 O ASP A 80 -15.111 -0.004 -3.906 1.00 40.21 O ATOM 1269 CB ASP A 80 -14.875 -0.710 -1.115 1.00 12.04 C ATOM 1270 CG ASP A 80 -15.876 0.433 -1.067 1.00 70.45 C ATOM 1271 OD1 ASP A 80 -17.023 0.194 -0.630 1.00 33.14 O ATOM 1272 OD2 ASP A 80 -15.524 1.571 -1.452 1.00 20.32 O ATOM 0 H ASP A 80 -13.521 -2.878 -1.689 1.00 52.11 H new ATOM 0 HA ASP A 80 -16.285 -1.929 -2.195 1.00 5.33 H new ATOM 0 HB2 ASP A 80 -14.851 -1.211 -0.147 1.00 12.04 H new ATOM 0 HB3 ASP A 80 -13.877 -0.309 -1.291 1.00 12.04 H new ATOM 1277 N GLY A 81 -14.298 -2.026 -4.455 1.00 41.24 N ATOM 1278 CA GLY A 81 -13.885 -1.599 -5.789 1.00 71.33 C ATOM 1279 C GLY A 81 -12.541 -0.873 -5.803 1.00 30.32 C ATOM 1280 O GLY A 81 -12.211 -0.181 -6.764 1.00 74.10 O ATOM 0 H GLY A 81 -14.120 -3.009 -4.249 1.00 41.24 H new ATOM 0 HA2 GLY A 81 -13.825 -2.471 -6.440 1.00 71.33 H new ATOM 0 HA3 GLY A 81 -14.649 -0.942 -6.205 1.00 71.33 H new ATOM 1284 N VAL A 82 -11.764 -1.037 -4.733 1.00 45.24 N ATOM 1285 CA VAL A 82 -10.469 -0.357 -4.601 1.00 5.04 C ATOM 1286 C VAL A 82 -9.534 -1.089 -3.618 1.00 21.21 C ATOM 1287 O VAL A 82 -9.987 -1.720 -2.663 1.00 42.13 O ATOM 1288 CB VAL A 82 -10.667 1.112 -4.135 1.00 54.15 C ATOM 1289 CG1 VAL A 82 -11.418 1.159 -2.803 1.00 11.42 C ATOM 1290 CG2 VAL A 82 -9.331 1.851 -4.039 1.00 53.43 C ATOM 0 H VAL A 82 -12.006 -1.635 -3.943 1.00 45.24 H new ATOM 0 HA VAL A 82 -10.001 -0.366 -5.586 1.00 5.04 H new ATOM 0 HB VAL A 82 -11.271 1.623 -4.885 1.00 54.15 H new ATOM 0 HG11 VAL A 82 -11.546 2.196 -2.494 1.00 11.42 H new ATOM 0 HG12 VAL A 82 -12.396 0.692 -2.920 1.00 11.42 H new ATOM 0 HG13 VAL A 82 -10.848 0.623 -2.045 1.00 11.42 H new ATOM 0 HG21 VAL A 82 -9.505 2.876 -3.711 1.00 53.43 H new ATOM 0 HG22 VAL A 82 -8.686 1.344 -3.321 1.00 53.43 H new ATOM 0 HG23 VAL A 82 -8.849 1.860 -5.017 1.00 53.43 H new ATOM 1300 N ILE A 83 -8.227 -1.004 -3.871 1.00 63.51 N ATOM 1301 CA ILE A 83 -7.217 -1.595 -2.984 1.00 50.52 C ATOM 1302 C ILE A 83 -6.727 -0.562 -1.950 1.00 12.42 C ATOM 1303 O ILE A 83 -6.437 0.583 -2.302 1.00 74.22 O ATOM 1304 CB ILE A 83 -5.991 -2.105 -3.788 1.00 64.01 C ATOM 1305 CG1 ILE A 83 -6.447 -2.909 -5.018 1.00 10.52 C ATOM 1306 CG2 ILE A 83 -5.084 -2.959 -2.896 1.00 50.33 C ATOM 1307 CD1 ILE A 83 -5.309 -3.352 -5.916 1.00 54.01 C ATOM 0 H ILE A 83 -7.839 -0.530 -4.686 1.00 63.51 H new ATOM 0 HA ILE A 83 -7.691 -2.434 -2.475 1.00 50.52 H new ATOM 0 HB ILE A 83 -5.423 -1.241 -4.134 1.00 64.01 H new ATOM 0 HG12 ILE A 83 -6.996 -3.789 -4.682 1.00 10.52 H new ATOM 0 HG13 ILE A 83 -7.141 -2.303 -5.600 1.00 10.52 H new ATOM 0 HG21 ILE A 83 -4.229 -3.309 -3.475 1.00 50.33 H new ATOM 0 HG22 ILE A 83 -4.733 -2.361 -2.055 1.00 50.33 H new ATOM 0 HG23 ILE A 83 -5.644 -3.816 -2.522 1.00 50.33 H new ATOM 0 HD11 ILE A 83 -5.709 -3.913 -6.761 1.00 54.01 H new ATOM 0 HD12 ILE A 83 -4.773 -2.477 -6.283 1.00 54.01 H new ATOM 0 HD13 ILE A 83 -4.625 -3.986 -5.351 1.00 54.01 H new ATOM 1319 N ASN A 84 -6.619 -0.965 -0.684 1.00 3.34 N ATOM 1320 CA ASN A 84 -6.178 -0.053 0.390 1.00 21.14 C ATOM 1321 C ASN A 84 -5.024 -0.659 1.206 1.00 30.11 C ATOM 1322 O ASN A 84 -4.980 -1.869 1.421 1.00 25.34 O ATOM 1323 CB ASN A 84 -7.351 0.275 1.323 1.00 72.53 C ATOM 1324 CG ASN A 84 -8.478 1.003 0.612 1.00 2.53 C ATOM 1325 OD1 ASN A 84 -8.499 2.228 0.542 1.00 32.31 O ATOM 1326 ND2 ASN A 84 -9.429 0.260 0.081 1.00 11.22 N ATOM 0 H ASN A 84 -6.828 -1.913 -0.370 1.00 3.34 H new ATOM 0 HA ASN A 84 -5.819 0.862 -0.082 1.00 21.14 H new ATOM 0 HB2 ASN A 84 -7.736 -0.649 1.755 1.00 72.53 H new ATOM 0 HB3 ASN A 84 -6.992 0.888 2.150 1.00 72.53 H new ATOM 0 HD21 ASN A 84 -10.210 0.701 -0.404 1.00 11.22 H new ATOM 0 HD22 ASN A 84 -9.384 -0.756 0.156 1.00 11.22 H new ATOM 1333 N GLY A 85 -4.095 0.188 1.662 1.00 34.41 N ATOM 1334 CA GLY A 85 -2.969 -0.289 2.466 1.00 53.44 C ATOM 1335 C GLY A 85 -2.243 0.827 3.224 1.00 31.11 C ATOM 1336 O GLY A 85 -2.518 2.008 3.018 1.00 1.40 O ATOM 0 H GLY A 85 -4.101 1.193 1.490 1.00 34.41 H new ATOM 0 HA2 GLY A 85 -3.331 -1.027 3.181 1.00 53.44 H new ATOM 0 HA3 GLY A 85 -2.258 -0.798 1.815 1.00 53.44 H new ATOM 1340 N VAL A 86 -1.305 0.449 4.098 1.00 60.42 N ATOM 1341 CA VAL A 86 -0.558 1.422 4.921 1.00 13.24 C ATOM 1342 C VAL A 86 0.911 1.543 4.470 1.00 12.33 C ATOM 1343 O VAL A 86 1.513 0.567 4.028 1.00 32.43 O ATOM 1344 CB VAL A 86 -0.587 1.021 6.420 1.00 60.04 C ATOM 1345 CG1 VAL A 86 -0.133 2.179 7.305 1.00 73.14 C ATOM 1346 CG2 VAL A 86 -1.976 0.539 6.823 1.00 61.14 C ATOM 0 H VAL A 86 -1.040 -0.523 4.258 1.00 60.42 H new ATOM 0 HA VAL A 86 -1.050 2.385 4.788 1.00 13.24 H new ATOM 0 HB VAL A 86 0.112 0.197 6.563 1.00 60.04 H new ATOM 0 HG11 VAL A 86 -0.163 1.871 8.350 1.00 73.14 H new ATOM 0 HG12 VAL A 86 0.885 2.463 7.039 1.00 73.14 H new ATOM 0 HG13 VAL A 86 -0.797 3.031 7.159 1.00 73.14 H new ATOM 0 HG21 VAL A 86 -1.974 0.263 7.877 1.00 61.14 H new ATOM 0 HG22 VAL A 86 -2.700 1.337 6.658 1.00 61.14 H new ATOM 0 HG23 VAL A 86 -2.249 -0.328 6.222 1.00 61.14 H new ATOM 1356 N LEU A 87 1.488 2.739 4.606 1.00 70.40 N ATOM 1357 CA LEU A 87 2.867 2.997 4.166 1.00 52.14 C ATOM 1358 C LEU A 87 3.901 2.595 5.235 1.00 21.24 C ATOM 1359 O LEU A 87 3.908 3.126 6.344 1.00 73.41 O ATOM 1360 CB LEU A 87 3.035 4.480 3.806 1.00 43.40 C ATOM 1361 CG LEU A 87 4.410 4.871 3.239 1.00 53.23 C ATOM 1362 CD1 LEU A 87 4.730 4.069 1.978 1.00 50.43 C ATOM 1363 CD2 LEU A 87 4.463 6.369 2.951 1.00 60.24 C ATOM 0 H LEU A 87 1.023 3.548 5.018 1.00 70.40 H new ATOM 0 HA LEU A 87 3.050 2.382 3.285 1.00 52.14 H new ATOM 0 HB2 LEU A 87 2.271 4.748 3.076 1.00 43.40 H new ATOM 0 HB3 LEU A 87 2.846 5.076 4.699 1.00 43.40 H new ATOM 0 HG LEU A 87 5.165 4.636 3.989 1.00 53.23 H new ATOM 0 HD11 LEU A 87 5.708 4.365 1.597 1.00 50.43 H new ATOM 0 HD12 LEU A 87 4.740 3.005 2.216 1.00 50.43 H new ATOM 0 HD13 LEU A 87 3.971 4.264 1.220 1.00 50.43 H new ATOM 0 HD21 LEU A 87 5.443 6.628 2.550 1.00 60.24 H new ATOM 0 HD22 LEU A 87 3.694 6.627 2.223 1.00 60.24 H new ATOM 0 HD23 LEU A 87 4.290 6.923 3.874 1.00 60.24 H new ATOM 1375 N ILE A 88 4.776 1.656 4.880 1.00 73.41 N ATOM 1376 CA ILE A 88 5.824 1.156 5.782 1.00 42.11 C ATOM 1377 C ILE A 88 7.107 0.833 4.995 1.00 45.04 C ATOM 1378 O ILE A 88 7.198 1.102 3.795 1.00 31.53 O ATOM 1379 CB ILE A 88 5.370 -0.138 6.517 1.00 62.12 C ATOM 1380 CG1 ILE A 88 5.096 -1.249 5.489 1.00 71.31 C ATOM 1381 CG2 ILE A 88 4.143 0.122 7.393 1.00 13.52 C ATOM 1382 CD1 ILE A 88 4.531 -2.521 6.078 1.00 2.21 C ATOM 0 H ILE A 88 4.782 1.217 3.959 1.00 73.41 H new ATOM 0 HA ILE A 88 6.016 1.942 6.513 1.00 42.11 H new ATOM 0 HB ILE A 88 6.172 -0.464 7.179 1.00 62.12 H new ATOM 0 HG12 ILE A 88 4.401 -0.870 4.740 1.00 71.31 H new ATOM 0 HG13 ILE A 88 6.026 -1.485 4.971 1.00 71.31 H new ATOM 0 HG21 ILE A 88 3.851 -0.801 7.893 1.00 13.52 H new ATOM 0 HG22 ILE A 88 4.383 0.879 8.140 1.00 13.52 H new ATOM 0 HG23 ILE A 88 3.320 0.474 6.771 1.00 13.52 H new ATOM 0 HD11 ILE A 88 4.369 -3.249 5.283 1.00 2.21 H new ATOM 0 HD12 ILE A 88 5.233 -2.928 6.805 1.00 2.21 H new ATOM 0 HD13 ILE A 88 3.583 -2.304 6.571 1.00 2.21 H new ATOM 1394 N ARG A 89 8.091 0.250 5.676 1.00 24.43 N ATOM 1395 CA ARG A 89 9.302 -0.272 5.022 1.00 51.41 C ATOM 1396 C ARG A 89 9.765 -1.575 5.694 1.00 30.35 C ATOM 1397 O ARG A 89 10.555 -1.551 6.639 1.00 62.41 O ATOM 1398 CB ARG A 89 10.465 0.745 5.044 1.00 40.21 C ATOM 1399 CG ARG A 89 10.271 1.994 4.182 1.00 40.44 C ATOM 1400 CD ARG A 89 9.935 1.673 2.724 1.00 15.41 C ATOM 1401 NE ARG A 89 10.800 0.645 2.135 1.00 14.42 N ATOM 1402 CZ ARG A 89 10.714 0.253 0.890 1.00 62.31 C ATOM 1403 NH1 ARG A 89 9.990 0.909 0.050 1.00 22.31 N ATOM 1404 NH2 ARG A 89 11.383 -0.771 0.476 1.00 64.31 N ATOM 0 H ARG A 89 8.078 0.124 6.688 1.00 24.43 H new ATOM 0 HA ARG A 89 9.034 -0.464 3.983 1.00 51.41 H new ATOM 0 HB2 ARG A 89 10.629 1.059 6.075 1.00 40.21 H new ATOM 0 HB3 ARG A 89 11.373 0.238 4.717 1.00 40.21 H new ATOM 0 HG2 ARG A 89 9.472 2.601 4.607 1.00 40.44 H new ATOM 0 HG3 ARG A 89 11.180 2.595 4.215 1.00 40.44 H new ATOM 0 HD2 ARG A 89 8.898 1.342 2.663 1.00 15.41 H new ATOM 0 HD3 ARG A 89 10.014 2.585 2.132 1.00 15.41 H new ATOM 0 HE ARG A 89 11.507 0.212 2.729 1.00 14.42 H new ATOM 0 HH11 ARG A 89 9.480 1.738 0.355 1.00 22.31 H new ATOM 0 HH12 ARG A 89 9.926 0.599 -0.920 1.00 22.31 H new ATOM 0 HH21 ARG A 89 11.985 -1.282 1.122 1.00 64.31 H new ATOM 0 HH22 ARG A 89 11.309 -1.069 -0.497 1.00 64.31 H new ATOM 1418 N GLU A 90 9.264 -2.715 5.217 1.00 24.14 N ATOM 1419 CA GLU A 90 9.703 -4.016 5.739 1.00 62.20 C ATOM 1420 C GLU A 90 11.143 -4.313 5.306 1.00 10.52 C ATOM 1421 O GLU A 90 11.876 -5.043 5.978 1.00 4.20 O ATOM 1422 CB GLU A 90 8.763 -5.138 5.274 1.00 72.35 C ATOM 1423 CG GLU A 90 7.343 -5.024 5.826 1.00 64.01 C ATOM 1424 CD GLU A 90 7.272 -5.075 7.353 1.00 50.23 C ATOM 1425 OE1 GLU A 90 8.199 -5.618 7.989 1.00 72.22 O ATOM 1426 OE2 GLU A 90 6.275 -4.586 7.923 1.00 21.34 O ATOM 0 H GLU A 90 8.562 -2.768 4.479 1.00 24.14 H new ATOM 0 HA GLU A 90 9.670 -3.971 6.828 1.00 62.20 H new ATOM 0 HB2 GLU A 90 8.720 -5.135 4.185 1.00 72.35 H new ATOM 0 HB3 GLU A 90 9.183 -6.098 5.574 1.00 72.35 H new ATOM 0 HG2 GLU A 90 6.903 -4.088 5.482 1.00 64.01 H new ATOM 0 HG3 GLU A 90 6.737 -5.832 5.416 1.00 64.01 H new ATOM 1433 N LEU A 91 11.533 -3.735 4.173 1.00 23.22 N ATOM 1434 CA LEU A 91 12.916 -3.779 3.692 1.00 13.44 C ATOM 1435 C LEU A 91 13.290 -2.433 3.059 1.00 30.12 C ATOM 1436 O LEU A 91 12.416 -1.635 2.715 1.00 51.24 O ATOM 1437 CB LEU A 91 13.126 -4.921 2.677 1.00 22.52 C ATOM 1438 CG LEU A 91 12.370 -4.790 1.338 1.00 13.04 C ATOM 1439 CD1 LEU A 91 12.940 -5.757 0.306 1.00 5.12 C ATOM 1440 CD2 LEU A 91 10.874 -5.037 1.524 1.00 30.45 C ATOM 0 H LEU A 91 10.900 -3.222 3.560 1.00 23.22 H new ATOM 0 HA LEU A 91 13.565 -3.971 4.546 1.00 13.44 H new ATOM 0 HB2 LEU A 91 14.192 -4.997 2.463 1.00 22.52 H new ATOM 0 HB3 LEU A 91 12.828 -5.858 3.148 1.00 22.52 H new ATOM 0 HG LEU A 91 12.504 -3.771 0.976 1.00 13.04 H new ATOM 0 HD11 LEU A 91 12.395 -5.651 -0.632 1.00 5.12 H new ATOM 0 HD12 LEU A 91 13.994 -5.533 0.141 1.00 5.12 H new ATOM 0 HD13 LEU A 91 12.839 -6.779 0.671 1.00 5.12 H new ATOM 0 HD21 LEU A 91 10.367 -4.938 0.564 1.00 30.45 H new ATOM 0 HD22 LEU A 91 10.717 -6.042 1.916 1.00 30.45 H new ATOM 0 HD23 LEU A 91 10.469 -4.307 2.225 1.00 30.45 H new ATOM 1452 N GLU A 92 14.582 -2.167 2.919 1.00 12.35 N ATOM 1453 CA GLU A 92 15.037 -0.927 2.284 1.00 42.23 C ATOM 1454 C GLU A 92 15.582 -1.191 0.874 1.00 62.24 C ATOM 1455 O GLU A 92 15.022 -0.733 -0.126 1.00 51.22 O ATOM 1456 CB GLU A 92 16.126 -0.254 3.129 1.00 71.13 C ATOM 1457 CG GLU A 92 16.493 1.146 2.644 1.00 54.23 C ATOM 1458 CD GLU A 92 17.863 1.604 3.116 1.00 55.22 C ATOM 1459 OE1 GLU A 92 18.225 1.338 4.282 1.00 50.43 O ATOM 1460 OE2 GLU A 92 18.595 2.220 2.311 1.00 75.11 O ATOM 0 H GLU A 92 15.331 -2.784 3.232 1.00 12.35 H new ATOM 0 HA GLU A 92 14.174 -0.265 2.209 1.00 42.23 H new ATOM 0 HB2 GLU A 92 15.788 -0.195 4.163 1.00 71.13 H new ATOM 0 HB3 GLU A 92 17.019 -0.879 3.121 1.00 71.13 H new ATOM 0 HG2 GLU A 92 16.467 1.164 1.554 1.00 54.23 H new ATOM 0 HG3 GLU A 92 15.741 1.853 2.993 1.00 54.23 H new ATOM 1467 N HIS A 93 16.672 -1.952 0.808 1.00 15.21 N ATOM 1468 CA HIS A 93 17.377 -2.197 -0.451 1.00 40.34 C ATOM 1469 C HIS A 93 16.610 -3.175 -1.356 1.00 54.45 C ATOM 1470 O HIS A 93 16.900 -4.371 -1.383 1.00 42.44 O ATOM 1471 CB HIS A 93 18.787 -2.741 -0.173 1.00 41.53 C ATOM 1472 CG HIS A 93 19.598 -1.889 0.755 1.00 53.15 C ATOM 1473 ND1 HIS A 93 20.050 -2.330 1.981 1.00 52.14 N ATOM 1474 CD2 HIS A 93 20.057 -0.621 0.627 1.00 21.01 C ATOM 1475 CE1 HIS A 93 20.746 -1.377 2.565 1.00 22.12 C ATOM 1476 NE2 HIS A 93 20.766 -0.330 1.767 1.00 2.21 N ATOM 0 H HIS A 93 17.089 -2.413 1.616 1.00 15.21 H new ATOM 0 HA HIS A 93 17.450 -1.244 -0.975 1.00 40.34 H new ATOM 0 HB2 HIS A 93 18.702 -3.742 0.250 1.00 41.53 H new ATOM 0 HB3 HIS A 93 19.320 -2.839 -1.119 1.00 41.53 H new ATOM 0 HD2 HIS A 93 19.896 0.038 -0.214 1.00 21.01 H new ATOM 0 HE1 HIS A 93 21.220 -1.443 3.533 1.00 22.12 H new ATOM 0 HE2 HIS A 93 21.233 0.555 1.964 1.00 2.21 H new ATOM 1485 N HIS A 94 15.615 -2.666 -2.082 1.00 11.44 N ATOM 1486 CA HIS A 94 14.877 -3.490 -3.050 1.00 72.21 C ATOM 1487 C HIS A 94 15.716 -3.725 -4.321 1.00 24.24 C ATOM 1488 O HIS A 94 15.429 -3.186 -5.393 1.00 64.24 O ATOM 1489 CB HIS A 94 13.513 -2.865 -3.391 1.00 21.24 C ATOM 1490 CG HIS A 94 13.570 -1.409 -3.742 1.00 70.15 C ATOM 1491 ND1 HIS A 94 13.921 -0.949 -4.991 1.00 63.40 N ATOM 1492 CD2 HIS A 94 13.296 -0.307 -3.003 1.00 25.33 C ATOM 1493 CE1 HIS A 94 13.865 0.366 -5.007 1.00 31.14 C ATOM 1494 NE2 HIS A 94 13.488 0.779 -3.817 1.00 34.43 N ATOM 0 H HIS A 94 15.301 -1.697 -2.023 1.00 11.44 H new ATOM 0 HA HIS A 94 14.687 -4.459 -2.588 1.00 72.21 H new ATOM 0 HB2 HIS A 94 13.076 -3.411 -4.227 1.00 21.24 H new ATOM 0 HB3 HIS A 94 12.844 -2.995 -2.540 1.00 21.24 H new ATOM 0 HD1 HIS A 94 14.184 -1.537 -5.782 1.00 63.40 H new ATOM 0 HD2 HIS A 94 12.985 -0.288 -1.969 1.00 25.33 H new ATOM 0 HE1 HIS A 94 14.090 0.998 -5.853 1.00 31.14 H new ATOM 1503 N HIS A 95 16.760 -4.536 -4.165 1.00 74.25 N ATOM 1504 CA HIS A 95 17.733 -4.816 -5.224 1.00 51.13 C ATOM 1505 C HIS A 95 18.763 -5.841 -4.718 1.00 71.30 C ATOM 1506 O HIS A 95 19.098 -6.806 -5.408 1.00 14.43 O ATOM 1507 CB HIS A 95 18.440 -3.516 -5.650 1.00 33.33 C ATOM 1508 CG HIS A 95 19.457 -3.692 -6.741 1.00 31.30 C ATOM 1509 ND1 HIS A 95 19.185 -3.448 -8.069 1.00 70.01 N ATOM 1510 CD2 HIS A 95 20.758 -4.077 -6.697 1.00 5.32 C ATOM 1511 CE1 HIS A 95 20.263 -3.674 -8.792 1.00 2.35 C ATOM 1512 NE2 HIS A 95 21.230 -4.056 -7.984 1.00 41.11 N ATOM 0 H HIS A 95 16.958 -5.024 -3.291 1.00 74.25 H new ATOM 0 HA HIS A 95 17.214 -5.228 -6.090 1.00 51.13 H new ATOM 0 HB2 HIS A 95 17.688 -2.800 -5.983 1.00 33.33 H new ATOM 0 HB3 HIS A 95 18.931 -3.081 -4.779 1.00 33.33 H new ATOM 0 HD2 HIS A 95 21.317 -4.349 -5.814 1.00 5.32 H new ATOM 0 HE1 HIS A 95 20.340 -3.565 -9.864 1.00 2.35 H new ATOM 0 HE2 HIS A 95 22.179 -4.298 -8.270 1.00 41.11 H new ATOM 1521 N HIS A 96 19.268 -5.600 -3.509 1.00 4.53 N ATOM 1522 CA HIS A 96 20.167 -6.541 -2.832 1.00 73.25 C ATOM 1523 C HIS A 96 19.418 -7.818 -2.412 1.00 4.23 C ATOM 1524 O HIS A 96 18.598 -7.796 -1.496 1.00 0.42 O ATOM 1525 CB HIS A 96 20.794 -5.866 -1.603 1.00 32.10 C ATOM 1526 CG HIS A 96 21.581 -6.797 -0.725 1.00 71.20 C ATOM 1527 ND1 HIS A 96 21.049 -7.401 0.393 1.00 40.03 N ATOM 1528 CD2 HIS A 96 22.864 -7.229 -0.804 1.00 62.22 C ATOM 1529 CE1 HIS A 96 21.964 -8.158 0.962 1.00 34.13 C ATOM 1530 NE2 HIS A 96 23.073 -8.075 0.259 1.00 25.15 N ATOM 0 H HIS A 96 19.069 -4.755 -2.973 1.00 4.53 H new ATOM 0 HA HIS A 96 20.955 -6.827 -3.529 1.00 73.25 H new ATOM 0 HB2 HIS A 96 21.448 -5.061 -1.938 1.00 32.10 H new ATOM 0 HB3 HIS A 96 20.002 -5.408 -1.010 1.00 32.10 H new ATOM 0 HD2 HIS A 96 23.586 -6.959 -1.560 1.00 62.22 H new ATOM 0 HE1 HIS A 96 21.827 -8.748 1.856 1.00 34.13 H new ATOM 0 HE2 HIS A 96 23.946 -8.560 0.469 1.00 25.15 H new ATOM 1539 N HIS A 97 19.711 -8.930 -3.084 1.00 13.32 N ATOM 1540 CA HIS A 97 19.048 -10.208 -2.794 1.00 4.41 C ATOM 1541 C HIS A 97 19.654 -10.903 -1.564 1.00 52.43 C ATOM 1542 O HIS A 97 20.788 -10.623 -1.168 1.00 64.23 O ATOM 1543 CB HIS A 97 19.126 -11.133 -4.015 1.00 60.45 C ATOM 1544 CG HIS A 97 18.330 -10.645 -5.191 1.00 12.35 C ATOM 1545 ND1 HIS A 97 18.860 -9.867 -6.200 1.00 75.24 N ATOM 1546 CD2 HIS A 97 17.027 -10.833 -5.515 1.00 64.24 C ATOM 1547 CE1 HIS A 97 17.921 -9.599 -7.087 1.00 73.31 C ATOM 1548 NE2 HIS A 97 16.801 -10.173 -6.697 1.00 2.02 N ATOM 0 H HIS A 97 20.402 -8.976 -3.833 1.00 13.32 H new ATOM 0 HA HIS A 97 18.004 -9.992 -2.569 1.00 4.41 H new ATOM 0 HB2 HIS A 97 20.169 -11.241 -4.313 1.00 60.45 H new ATOM 0 HB3 HIS A 97 18.771 -12.124 -3.733 1.00 60.45 H new ATOM 0 HD2 HIS A 97 16.301 -11.397 -4.948 1.00 64.24 H new ATOM 0 HE1 HIS A 97 18.049 -9.008 -7.982 1.00 73.31 H new ATOM 0 HE2 HIS A 97 15.911 -10.133 -7.193 1.00 2.02 H new ATOM 1557 N HIS A 98 18.884 -11.816 -0.971 1.00 4.21 N ATOM 1558 CA HIS A 98 19.322 -12.561 0.215 1.00 62.24 C ATOM 1559 C HIS A 98 18.525 -13.876 0.370 1.00 20.13 C ATOM 1560 O HIS A 98 17.433 -13.857 0.982 1.00 37.53 O ATOM 1561 CB HIS A 98 19.168 -11.681 1.469 1.00 62.43 C ATOM 1562 CG HIS A 98 19.694 -12.306 2.726 1.00 23.14 C ATOM 1563 ND1 HIS A 98 18.879 -12.806 3.715 1.00 13.44 N ATOM 1564 CD2 HIS A 98 20.961 -12.485 3.164 1.00 22.22 C ATOM 1565 CE1 HIS A 98 19.617 -13.263 4.705 1.00 4.13 C ATOM 1566 NE2 HIS A 98 20.886 -13.081 4.399 1.00 71.15 N ATOM 1567 OXT HIS A 98 18.991 -14.923 -0.130 1.00 37.53 O ATOM 0 H HIS A 98 17.948 -12.060 -1.294 1.00 4.21 H new ATOM 0 HA HIS A 98 20.373 -12.823 0.093 1.00 62.24 H new ATOM 0 HB2 HIS A 98 19.685 -10.736 1.302 1.00 62.43 H new ATOM 0 HB3 HIS A 98 18.113 -11.446 1.607 1.00 62.43 H new ATOM 0 HD2 HIS A 98 21.864 -12.210 2.640 1.00 22.22 H new ATOM 0 HE1 HIS A 98 19.245 -13.711 5.614 1.00 4.13 H new ATOM 0 HE2 HIS A 98 21.681 -13.340 4.983 1.00 71.15 H new TER 1576 HIS A 98