USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 712 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 77 THR OG1 : rot -46:sc= 0.439 USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0.338 USER MOD Set 2.1: A 81 ASN : amide:sc= 0.449 K(o=0.93,f=-0.7) USER MOD Set 2.2: A 83 LYS NZ :NH3+ -127:sc= 0.476 (180deg=-0.00406) USER MOD Set 3.1: A 78 ASN :FLIP amide:sc=-0.00109 F(o=-0.95,f=0.46) USER MOD Set 3.2: A 85 SER OG : rot -91:sc= 0.466 USER MOD Set 4.1: A 42 ASN : amide:sc= 0.33 K(o=2,f=-2!) USER MOD Set 4.2: A 50 LYS NZ :NH3+ 134:sc= 1.68 (180deg=0.866) USER MOD Single : A 1 GLY N :NH3+ -176:sc= -0.201 (180deg=-0.23) USER MOD Single : A 3 LYS NZ :NH3+ 157:sc= -0.132 (180deg=-0.571) USER MOD Single : A 8 SER OG : rot 180:sc= 0.00828 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 32:sc= 0.0423 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.33) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 2.25 (180deg=2.16) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 91:sc= 1.17 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= -0.204 K(o=-0.2,f=-0.72) USER MOD Single : A 55 MET CE :methyl -177:sc= -0.358 (180deg=-0.364) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.558 K(o=-0.56,f=-5.4!) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 31:sc= 1.18 USER MOD Single : A 79 GLN :FLIP amide:sc= -2.35! C(o=-4!,f=-2.4!) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 1.25 K(o=1.2,f=-0.23) USER MOD Single : A 91 LYS NZ :NH3+ -177:sc= 1.35 (180deg=1.29) USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.749 9.237 -15.015 1.00 18.66 N ATOM 2 CA GLY A 1 3.989 10.453 -15.240 1.00 18.87 C ATOM 3 C GLY A 1 3.971 10.852 -16.700 1.00 18.23 C ATOM 4 O GLY A 1 3.255 11.774 -17.096 1.00 18.31 O ATOM 0 H1 GLY A 1 4.678 8.964 -14.014 1.00 18.66 H new ATOM 0 H2 GLY A 1 4.367 8.474 -15.610 1.00 18.66 H new ATOM 0 H3 GLY A 1 5.746 9.401 -15.260 1.00 18.66 H new ATOM 0 HA2 GLY A 1 2.966 10.310 -14.891 1.00 18.87 H new ATOM 0 HA3 GLY A 1 4.418 11.262 -14.649 1.00 18.87 H new ATOM 8 N ALA A 2 4.759 10.152 -17.498 1.00 17.70 N ATOM 9 CA ALA A 2 4.845 10.422 -18.923 1.00 17.18 C ATOM 10 C ALA A 2 3.913 9.495 -19.691 1.00 16.38 C ATOM 11 O ALA A 2 3.636 8.381 -19.252 1.00 16.21 O ATOM 12 CB ALA A 2 6.277 10.254 -19.409 1.00 17.38 C ATOM 0 H ALA A 2 5.353 9.386 -17.180 1.00 17.70 H new ATOM 0 HA ALA A 2 4.538 11.452 -19.102 1.00 17.18 H new ATOM 0 HB1 ALA A 2 6.325 10.460 -20.478 1.00 17.38 H new ATOM 0 HB2 ALA A 2 6.926 10.949 -18.876 1.00 17.38 H new ATOM 0 HB3 ALA A 2 6.608 9.233 -19.221 1.00 17.38 H new ATOM 18 N LYS A 3 3.421 9.958 -20.830 1.00 16.02 N ATOM 19 CA LYS A 3 2.520 9.151 -21.636 1.00 15.35 C ATOM 20 C LYS A 3 3.313 8.207 -22.528 1.00 14.78 C ATOM 21 O LYS A 3 4.495 8.432 -22.794 1.00 14.87 O ATOM 22 CB LYS A 3 1.607 10.033 -22.488 1.00 15.66 C ATOM 23 CG LYS A 3 0.875 11.098 -21.691 1.00 16.14 C ATOM 24 CD LYS A 3 -0.198 11.773 -22.524 1.00 16.34 C ATOM 25 CE LYS A 3 -0.643 13.084 -21.897 1.00 16.93 C ATOM 26 NZ LYS A 3 0.452 14.088 -21.886 1.00 17.44 N ATOM 0 H LYS A 3 3.628 10.880 -21.214 1.00 16.02 H new ATOM 0 HA LYS A 3 1.897 8.564 -20.961 1.00 15.35 H new ATOM 0 HB2 LYS A 3 2.202 10.516 -23.263 1.00 15.66 H new ATOM 0 HB3 LYS A 3 0.876 9.403 -22.994 1.00 15.66 H new ATOM 0 HG2 LYS A 3 0.422 10.647 -20.808 1.00 16.14 H new ATOM 0 HG3 LYS A 3 1.587 11.844 -21.338 1.00 16.14 H new ATOM 0 HD2 LYS A 3 0.182 11.959 -23.529 1.00 16.34 H new ATOM 0 HD3 LYS A 3 -1.055 11.107 -22.625 1.00 16.34 H new ATOM 0 HE2 LYS A 3 -1.495 13.481 -22.449 1.00 16.93 H new ATOM 0 HE3 LYS A 3 -0.981 12.903 -20.877 1.00 16.93 H new ATOM 0 HZ1 LYS A 3 0.046 15.044 -21.829 1.00 17.44 H new ATOM 0 HZ2 LYS A 3 1.066 13.923 -21.063 1.00 17.44 H new ATOM 0 HZ3 LYS A 3 1.012 14.001 -22.758 1.00 17.44 H new ATOM 40 N GLY A 4 2.656 7.156 -22.990 1.00 14.34 N ATOM 41 CA GLY A 4 3.323 6.173 -23.815 1.00 13.91 C ATOM 42 C GLY A 4 3.499 4.866 -23.080 1.00 13.19 C ATOM 43 O GLY A 4 3.758 3.828 -23.685 1.00 13.08 O ATOM 0 H GLY A 4 1.671 6.966 -22.808 1.00 14.34 H new ATOM 0 HA2 GLY A 4 2.745 6.006 -24.724 1.00 13.91 H new ATOM 0 HA3 GLY A 4 4.297 6.554 -24.122 1.00 13.91 H new ATOM 47 N ASP A 5 3.351 4.923 -21.764 1.00 12.83 N ATOM 48 CA ASP A 5 3.469 3.737 -20.927 1.00 12.29 C ATOM 49 C ASP A 5 2.075 3.251 -20.532 1.00 11.32 C ATOM 50 O ASP A 5 1.075 3.738 -21.066 1.00 11.07 O ATOM 51 CB ASP A 5 4.305 4.047 -19.678 1.00 12.76 C ATOM 52 CG ASP A 5 5.085 2.844 -19.181 1.00 13.25 C ATOM 53 OD1 ASP A 5 6.322 2.944 -19.070 1.00 13.69 O ATOM 54 OD2 ASP A 5 4.473 1.789 -18.925 1.00 13.33 O ATOM 0 H ASP A 5 3.148 5.781 -21.251 1.00 12.83 H new ATOM 0 HA ASP A 5 3.974 2.950 -21.488 1.00 12.29 H new ATOM 0 HB2 ASP A 5 4.999 4.857 -19.902 1.00 12.76 H new ATOM 0 HB3 ASP A 5 3.647 4.401 -18.884 1.00 12.76 H new ATOM 59 N LEU A 6 2.007 2.298 -19.613 1.00 10.94 N ATOM 60 CA LEU A 6 0.733 1.745 -19.173 1.00 10.15 C ATOM 61 C LEU A 6 -0.033 2.744 -18.309 1.00 9.46 C ATOM 62 O LEU A 6 0.407 3.107 -17.218 1.00 9.68 O ATOM 63 CB LEU A 6 0.951 0.445 -18.393 1.00 10.29 C ATOM 64 CG LEU A 6 -0.321 -0.211 -17.848 1.00 10.86 C ATOM 65 CD1 LEU A 6 -1.232 -0.651 -18.986 1.00 11.39 C ATOM 66 CD2 LEU A 6 0.029 -1.390 -16.953 1.00 10.88 C ATOM 0 H LEU A 6 2.822 1.890 -19.156 1.00 10.94 H new ATOM 0 HA LEU A 6 0.140 1.532 -20.063 1.00 10.15 H new ATOM 0 HB2 LEU A 6 1.459 -0.268 -19.042 1.00 10.29 H new ATOM 0 HB3 LEU A 6 1.621 0.649 -17.558 1.00 10.29 H new ATOM 0 HG LEU A 6 -0.857 0.526 -17.251 1.00 10.86 H new ATOM 0 HD11 LEU A 6 -2.129 -1.114 -18.575 1.00 11.39 H new ATOM 0 HD12 LEU A 6 -1.512 0.216 -19.584 1.00 11.39 H new ATOM 0 HD13 LEU A 6 -0.707 -1.371 -19.615 1.00 11.39 H new ATOM 0 HD21 LEU A 6 -0.887 -1.844 -16.575 1.00 10.88 H new ATOM 0 HD22 LEU A 6 0.590 -2.128 -17.526 1.00 10.88 H new ATOM 0 HD23 LEU A 6 0.635 -1.044 -16.116 1.00 10.88 H new ATOM 78 N VAL A 7 -1.176 3.186 -18.806 1.00 8.82 N ATOM 79 CA VAL A 7 -2.022 4.105 -18.065 1.00 8.29 C ATOM 80 C VAL A 7 -3.051 3.342 -17.224 1.00 7.44 C ATOM 81 O VAL A 7 -4.084 2.893 -17.716 1.00 7.11 O ATOM 82 CB VAL A 7 -2.716 5.119 -19.009 1.00 8.29 C ATOM 83 CG1 VAL A 7 -3.424 4.417 -20.164 1.00 8.14 C ATOM 84 CG2 VAL A 7 -3.687 5.998 -18.235 1.00 8.52 C ATOM 0 H VAL A 7 -1.540 2.922 -19.722 1.00 8.82 H new ATOM 0 HA VAL A 7 -1.384 4.671 -17.387 1.00 8.29 H new ATOM 0 HB VAL A 7 -1.941 5.755 -19.437 1.00 8.29 H new ATOM 0 HG11 VAL A 7 -3.899 5.160 -20.805 1.00 8.14 H new ATOM 0 HG12 VAL A 7 -2.697 3.848 -20.744 1.00 8.14 H new ATOM 0 HG13 VAL A 7 -4.182 3.741 -19.769 1.00 8.14 H new ATOM 0 HG21 VAL A 7 -4.163 6.702 -18.917 1.00 8.52 H new ATOM 0 HG22 VAL A 7 -4.449 5.374 -17.767 1.00 8.52 H new ATOM 0 HG23 VAL A 7 -3.146 6.548 -17.465 1.00 8.52 H new ATOM 94 N SER A 8 -2.739 3.177 -15.948 1.00 7.35 N ATOM 95 CA SER A 8 -3.615 2.460 -15.032 1.00 6.76 C ATOM 96 C SER A 8 -4.479 3.427 -14.227 1.00 6.25 C ATOM 97 O SER A 8 -5.193 3.024 -13.311 1.00 6.60 O ATOM 98 CB SER A 8 -2.772 1.596 -14.094 1.00 7.45 C ATOM 99 OG SER A 8 -1.717 2.355 -13.521 1.00 7.95 O ATOM 0 H SER A 8 -1.883 3.531 -15.521 1.00 7.35 H new ATOM 0 HA SER A 8 -4.282 1.823 -15.613 1.00 6.76 H new ATOM 0 HB2 SER A 8 -3.402 1.187 -13.304 1.00 7.45 H new ATOM 0 HB3 SER A 8 -2.360 0.750 -14.644 1.00 7.45 H new ATOM 0 HG SER A 8 -1.191 1.784 -12.923 1.00 7.95 H new ATOM 105 N PHE A 9 -4.420 4.702 -14.583 1.00 5.71 N ATOM 106 CA PHE A 9 -5.145 5.722 -13.842 1.00 5.49 C ATOM 107 C PHE A 9 -6.309 6.272 -14.646 1.00 4.56 C ATOM 108 O PHE A 9 -6.945 7.246 -14.243 1.00 4.58 O ATOM 109 CB PHE A 9 -4.214 6.867 -13.435 1.00 5.95 C ATOM 110 CG PHE A 9 -3.412 7.474 -14.558 1.00 6.09 C ATOM 111 CD1 PHE A 9 -2.188 6.935 -14.925 1.00 6.22 C ATOM 112 CD2 PHE A 9 -3.869 8.599 -15.230 1.00 6.41 C ATOM 113 CE1 PHE A 9 -1.440 7.502 -15.938 1.00 6.69 C ATOM 114 CE2 PHE A 9 -3.124 9.169 -16.246 1.00 6.91 C ATOM 115 CZ PHE A 9 -1.909 8.619 -16.599 1.00 7.07 C ATOM 0 H PHE A 9 -3.881 5.053 -15.375 1.00 5.71 H new ATOM 0 HA PHE A 9 -5.540 5.247 -12.944 1.00 5.49 H new ATOM 0 HB2 PHE A 9 -4.811 7.652 -12.971 1.00 5.95 H new ATOM 0 HB3 PHE A 9 -3.524 6.500 -12.675 1.00 5.95 H new ATOM 0 HD1 PHE A 9 -1.815 6.061 -14.412 1.00 6.22 H new ATOM 0 HD2 PHE A 9 -4.818 9.035 -14.956 1.00 6.41 H new ATOM 0 HE1 PHE A 9 -0.488 7.071 -16.213 1.00 6.69 H new ATOM 0 HE2 PHE A 9 -3.493 10.043 -16.762 1.00 6.91 H new ATOM 0 HZ PHE A 9 -1.325 9.062 -17.392 1.00 7.07 H new ATOM 125 N ARG A 10 -6.605 5.638 -15.765 1.00 4.03 N ATOM 126 CA ARG A 10 -7.614 6.150 -16.676 1.00 3.33 C ATOM 127 C ARG A 10 -8.304 5.028 -17.440 1.00 2.88 C ATOM 128 O ARG A 10 -8.021 3.849 -17.226 1.00 3.18 O ATOM 129 CB ARG A 10 -6.987 7.163 -17.637 1.00 3.50 C ATOM 130 CG ARG A 10 -7.011 8.588 -17.117 1.00 3.95 C ATOM 131 CD ARG A 10 -8.433 9.113 -16.993 1.00 4.08 C ATOM 132 NE ARG A 10 -8.610 10.368 -17.722 1.00 4.93 N ATOM 133 CZ ARG A 10 -9.736 11.082 -17.726 1.00 5.72 C ATOM 134 NH1 ARG A 10 -10.781 10.690 -17.016 1.00 5.83 N ATOM 135 NH2 ARG A 10 -9.804 12.212 -18.420 1.00 6.67 N ATOM 0 H ARG A 10 -6.163 4.769 -16.066 1.00 4.03 H new ATOM 0 HA ARG A 10 -8.380 6.653 -16.085 1.00 3.33 H new ATOM 0 HB2 ARG A 10 -5.955 6.874 -17.834 1.00 3.50 H new ATOM 0 HB3 ARG A 10 -7.516 7.124 -18.589 1.00 3.50 H new ATOM 0 HG2 ARG A 10 -6.521 8.630 -16.144 1.00 3.95 H new ATOM 0 HG3 ARG A 10 -6.442 9.231 -17.789 1.00 3.95 H new ATOM 0 HD2 ARG A 10 -9.131 8.368 -17.375 1.00 4.08 H new ATOM 0 HD3 ARG A 10 -8.674 9.266 -15.941 1.00 4.08 H new ATOM 0 HE ARG A 10 -7.820 10.720 -18.263 1.00 4.93 H new ATOM 0 HH11 ARG A 10 -10.729 9.836 -16.460 1.00 5.83 H new ATOM 0 HH12 ARG A 10 -11.639 11.242 -17.024 1.00 5.83 H new ATOM 0 HH21 ARG A 10 -8.995 12.534 -18.950 1.00 6.67 H new ATOM 0 HH22 ARG A 10 -10.666 12.758 -18.423 1.00 6.67 H new ATOM 149 N ILE A 11 -9.203 5.414 -18.332 1.00 2.34 N ATOM 150 CA ILE A 11 -10.087 4.475 -19.006 1.00 1.99 C ATOM 151 C ILE A 11 -9.612 4.192 -20.439 1.00 1.73 C ATOM 152 O ILE A 11 -9.291 5.116 -21.186 1.00 1.72 O ATOM 153 CB ILE A 11 -11.535 5.027 -19.042 1.00 1.97 C ATOM 154 CG1 ILE A 11 -12.077 5.276 -17.630 1.00 2.38 C ATOM 155 CG2 ILE A 11 -12.453 4.074 -19.770 1.00 2.00 C ATOM 156 CD1 ILE A 11 -11.672 6.611 -17.037 1.00 2.89 C ATOM 0 H ILE A 11 -9.341 6.386 -18.609 1.00 2.34 H new ATOM 0 HA ILE A 11 -10.067 3.542 -18.443 1.00 1.99 H new ATOM 0 HB ILE A 11 -11.504 5.977 -19.575 1.00 1.97 H new ATOM 0 HG12 ILE A 11 -13.165 5.217 -17.655 1.00 2.38 H new ATOM 0 HG13 ILE A 11 -11.729 4.479 -16.973 1.00 2.38 H new ATOM 0 HG21 ILE A 11 -13.464 4.481 -19.783 1.00 2.00 H new ATOM 0 HG22 ILE A 11 -12.102 3.941 -20.793 1.00 2.00 H new ATOM 0 HG23 ILE A 11 -12.457 3.111 -19.260 1.00 2.00 H new ATOM 0 HD11 ILE A 11 -12.096 6.709 -16.038 1.00 2.89 H new ATOM 0 HD12 ILE A 11 -10.585 6.668 -16.977 1.00 2.89 H new ATOM 0 HD13 ILE A 11 -12.043 7.418 -17.669 1.00 2.89 H new ATOM 168 N ASP A 12 -9.588 2.913 -20.823 1.00 1.73 N ATOM 169 CA ASP A 12 -9.150 2.511 -22.167 1.00 1.71 C ATOM 170 C ASP A 12 -10.324 2.478 -23.140 1.00 1.43 C ATOM 171 O ASP A 12 -10.217 2.966 -24.269 1.00 1.54 O ATOM 172 CB ASP A 12 -8.484 1.134 -22.142 1.00 2.04 C ATOM 173 CG ASP A 12 -7.924 0.742 -23.500 1.00 2.64 C ATOM 174 OD1 ASP A 12 -8.713 0.363 -24.396 1.00 3.29 O ATOM 175 OD2 ASP A 12 -6.695 0.819 -23.673 1.00 2.90 O ATOM 0 H ASP A 12 -9.866 2.136 -20.224 1.00 1.73 H new ATOM 0 HA ASP A 12 -8.426 3.253 -22.502 1.00 1.71 H new ATOM 0 HB2 ASP A 12 -7.680 1.134 -21.406 1.00 2.04 H new ATOM 0 HB3 ASP A 12 -9.210 0.387 -21.821 1.00 2.04 H new ATOM 180 N GLU A 13 -11.450 1.918 -22.682 1.00 1.24 N ATOM 181 CA GLU A 13 -12.676 1.796 -23.490 1.00 1.15 C ATOM 182 C GLU A 13 -13.169 3.166 -23.966 1.00 1.28 C ATOM 183 O GLU A 13 -14.070 3.267 -24.802 1.00 1.50 O ATOM 184 CB GLU A 13 -13.768 1.083 -22.672 1.00 1.15 C ATOM 185 CG GLU A 13 -14.068 1.778 -21.356 1.00 1.58 C ATOM 186 CD GLU A 13 -15.012 1.011 -20.456 1.00 2.18 C ATOM 187 OE1 GLU A 13 -16.242 1.157 -20.622 1.00 2.35 O ATOM 188 OE2 GLU A 13 -14.528 0.225 -19.612 1.00 2.96 O ATOM 0 H GLU A 13 -11.540 1.536 -21.741 1.00 1.24 H new ATOM 0 HA GLU A 13 -12.447 1.204 -24.376 1.00 1.15 H new ATOM 0 HB2 GLU A 13 -14.681 1.028 -23.265 1.00 1.15 H new ATOM 0 HB3 GLU A 13 -13.455 0.058 -22.473 1.00 1.15 H new ATOM 0 HG2 GLU A 13 -13.132 1.946 -20.824 1.00 1.58 H new ATOM 0 HG3 GLU A 13 -14.497 2.758 -21.564 1.00 1.58 H new ATOM 195 N SER A 14 -12.556 4.214 -23.426 1.00 1.27 N ATOM 196 CA SER A 14 -12.817 5.581 -23.835 1.00 1.50 C ATOM 197 C SER A 14 -12.319 5.826 -25.265 1.00 1.59 C ATOM 198 O SER A 14 -12.767 6.758 -25.935 1.00 1.85 O ATOM 199 CB SER A 14 -12.125 6.543 -22.861 1.00 1.61 C ATOM 200 OG SER A 14 -12.332 7.898 -23.214 1.00 2.31 O ATOM 0 H SER A 14 -11.859 4.133 -22.686 1.00 1.27 H new ATOM 0 HA SER A 14 -13.893 5.756 -23.818 1.00 1.50 H new ATOM 0 HB2 SER A 14 -12.501 6.370 -21.853 1.00 1.61 H new ATOM 0 HB3 SER A 14 -11.056 6.333 -22.843 1.00 1.61 H new ATOM 0 HG SER A 14 -11.877 8.478 -22.568 1.00 2.31 H new ATOM 206 N GLY A 15 -11.396 4.984 -25.732 1.00 1.50 N ATOM 207 CA GLY A 15 -10.864 5.146 -27.075 1.00 1.67 C ATOM 208 C GLY A 15 -9.488 5.784 -27.080 1.00 1.66 C ATOM 209 O GLY A 15 -9.312 6.869 -27.628 1.00 1.86 O ATOM 0 H GLY A 15 -11.011 4.199 -25.208 1.00 1.50 H new ATOM 0 HA2 GLY A 15 -10.811 4.172 -27.562 1.00 1.67 H new ATOM 0 HA3 GLY A 15 -11.548 5.759 -27.662 1.00 1.67 H new ATOM 213 N ARG A 16 -8.524 5.129 -26.433 1.00 1.69 N ATOM 214 CA ARG A 16 -7.165 5.665 -26.324 1.00 1.95 C ATOM 215 C ARG A 16 -6.551 5.918 -27.699 1.00 1.94 C ATOM 216 O ARG A 16 -6.085 4.994 -28.360 1.00 1.95 O ATOM 217 CB ARG A 16 -6.267 4.699 -25.544 1.00 2.42 C ATOM 218 CG ARG A 16 -6.745 4.387 -24.131 1.00 2.50 C ATOM 219 CD ARG A 16 -6.672 5.607 -23.217 1.00 2.87 C ATOM 220 NE ARG A 16 -7.687 6.614 -23.538 1.00 3.47 N ATOM 221 CZ ARG A 16 -7.594 7.905 -23.212 1.00 4.27 C ATOM 222 NH1 ARG A 16 -6.526 8.355 -22.557 1.00 4.62 N ATOM 223 NH2 ARG A 16 -8.577 8.742 -23.534 1.00 5.03 N ATOM 0 H ARG A 16 -8.658 4.227 -25.976 1.00 1.69 H new ATOM 0 HA ARG A 16 -7.234 6.614 -25.792 1.00 1.95 H new ATOM 0 HB2 ARG A 16 -6.190 3.766 -26.101 1.00 2.42 H new ATOM 0 HB3 ARG A 16 -5.264 5.121 -25.489 1.00 2.42 H new ATOM 0 HG2 ARG A 16 -7.772 4.024 -24.168 1.00 2.50 H new ATOM 0 HG3 ARG A 16 -6.138 3.584 -23.712 1.00 2.50 H new ATOM 0 HD2 ARG A 16 -6.796 5.289 -22.182 1.00 2.87 H new ATOM 0 HD3 ARG A 16 -5.682 6.056 -23.296 1.00 2.87 H new ATOM 0 HE ARG A 16 -8.519 6.309 -24.043 1.00 3.47 H new ATOM 0 HH11 ARG A 16 -5.776 7.713 -22.303 1.00 4.62 H new ATOM 0 HH12 ARG A 16 -6.458 9.342 -22.309 1.00 4.62 H new ATOM 0 HH21 ARG A 16 -9.399 8.397 -24.029 1.00 5.03 H new ATOM 0 HH22 ARG A 16 -8.508 9.729 -23.286 1.00 5.03 H new ATOM 237 N ALA A 17 -6.572 7.174 -28.131 1.00 2.02 N ATOM 238 CA ALA A 17 -5.935 7.566 -29.382 1.00 2.12 C ATOM 239 C ALA A 17 -4.454 7.875 -29.175 1.00 2.12 C ATOM 240 O ALA A 17 -3.645 7.746 -30.095 1.00 2.20 O ATOM 241 CB ALA A 17 -6.651 8.770 -29.979 1.00 2.37 C ATOM 0 H ALA A 17 -7.025 7.940 -27.632 1.00 2.02 H new ATOM 0 HA ALA A 17 -6.007 6.730 -30.077 1.00 2.12 H new ATOM 0 HB1 ALA A 17 -6.167 9.055 -30.913 1.00 2.37 H new ATOM 0 HB2 ALA A 17 -7.693 8.514 -30.173 1.00 2.37 H new ATOM 0 HB3 ALA A 17 -6.606 9.604 -29.279 1.00 2.37 H new ATOM 247 N ALA A 18 -4.106 8.270 -27.955 1.00 2.11 N ATOM 248 CA ALA A 18 -2.748 8.693 -27.639 1.00 2.25 C ATOM 249 C ALA A 18 -1.778 7.519 -27.682 1.00 2.18 C ATOM 250 O ALA A 18 -0.625 7.664 -28.087 1.00 2.38 O ATOM 251 CB ALA A 18 -2.717 9.358 -26.270 1.00 2.35 C ATOM 0 H ALA A 18 -4.750 8.306 -27.165 1.00 2.11 H new ATOM 0 HA ALA A 18 -2.431 9.413 -28.394 1.00 2.25 H new ATOM 0 HB1 ALA A 18 -1.699 9.671 -26.041 1.00 2.35 H new ATOM 0 HB2 ALA A 18 -3.373 10.229 -26.274 1.00 2.35 H new ATOM 0 HB3 ALA A 18 -3.058 8.650 -25.514 1.00 2.35 H new ATOM 257 N CYS A 19 -2.259 6.354 -27.283 1.00 1.97 N ATOM 258 CA CYS A 19 -1.443 5.153 -27.279 1.00 1.94 C ATOM 259 C CYS A 19 -2.306 3.932 -27.584 1.00 1.77 C ATOM 260 O CYS A 19 -3.370 3.760 -26.994 1.00 1.77 O ATOM 261 CB CYS A 19 -0.757 4.995 -25.918 1.00 2.16 C ATOM 262 SG CYS A 19 -1.905 4.974 -24.519 1.00 2.75 S ATOM 0 H CYS A 19 -3.215 6.215 -26.956 1.00 1.97 H new ATOM 0 HA CYS A 19 -0.678 5.239 -28.051 1.00 1.94 H new ATOM 0 HB2 CYS A 19 -0.181 4.070 -25.917 1.00 2.16 H new ATOM 0 HB3 CYS A 19 -0.048 5.812 -25.782 1.00 2.16 H new ATOM 0 HG CYS A 19 -3.033 4.446 -24.891 1.00 2.75 H new ATOM 268 N VAL A 20 -1.846 3.096 -28.504 1.00 1.71 N ATOM 269 CA VAL A 20 -2.573 1.895 -28.877 1.00 1.67 C ATOM 270 C VAL A 20 -1.669 0.992 -29.710 1.00 1.62 C ATOM 271 O VAL A 20 -0.838 1.480 -30.476 1.00 1.57 O ATOM 272 CB VAL A 20 -3.872 2.243 -29.654 1.00 1.72 C ATOM 273 CG1 VAL A 20 -3.563 2.937 -30.970 1.00 1.74 C ATOM 274 CG2 VAL A 20 -4.718 1.004 -29.885 1.00 1.88 C ATOM 0 H VAL A 20 -0.969 3.230 -29.007 1.00 1.71 H new ATOM 0 HA VAL A 20 -2.868 1.368 -27.970 1.00 1.67 H new ATOM 0 HB VAL A 20 -4.445 2.936 -29.039 1.00 1.72 H new ATOM 0 HG11 VAL A 20 -4.494 3.166 -31.488 1.00 1.74 H new ATOM 0 HG12 VAL A 20 -3.019 3.861 -30.775 1.00 1.74 H new ATOM 0 HG13 VAL A 20 -2.953 2.282 -31.592 1.00 1.74 H new ATOM 0 HG21 VAL A 20 -5.621 1.277 -30.431 1.00 1.88 H new ATOM 0 HG22 VAL A 20 -4.149 0.278 -30.465 1.00 1.88 H new ATOM 0 HG23 VAL A 20 -4.992 0.567 -28.925 1.00 1.88 H new ATOM 284 N ASN A 21 -1.803 -0.318 -29.535 1.00 1.71 N ATOM 285 CA ASN A 21 -0.944 -1.279 -30.224 1.00 1.70 C ATOM 286 C ASN A 21 -1.631 -1.825 -31.471 1.00 1.72 C ATOM 287 O ASN A 21 -1.217 -2.841 -32.031 1.00 2.62 O ATOM 288 CB ASN A 21 -0.574 -2.434 -29.283 1.00 1.73 C ATOM 289 CG ASN A 21 0.294 -1.987 -28.124 1.00 2.10 C ATOM 290 OD1 ASN A 21 -0.210 -1.584 -27.079 1.00 2.71 O ATOM 291 ND2 ASN A 21 1.607 -2.064 -28.296 1.00 2.48 N ATOM 0 H ASN A 21 -2.499 -0.741 -28.921 1.00 1.71 H new ATOM 0 HA ASN A 21 -0.034 -0.762 -30.528 1.00 1.70 H new ATOM 0 HB2 ASN A 21 -1.486 -2.888 -28.895 1.00 1.73 H new ATOM 0 HB3 ASN A 21 -0.050 -3.205 -29.848 1.00 1.73 H new ATOM 0 HD21 ASN A 21 2.237 -1.783 -27.545 1.00 2.48 H new ATOM 0 HD22 ASN A 21 1.987 -2.404 -29.179 1.00 2.48 H new ATOM 298 N ALA A 22 -2.669 -1.134 -31.915 1.00 1.05 N ATOM 299 CA ALA A 22 -3.446 -1.567 -33.063 1.00 0.99 C ATOM 300 C ALA A 22 -4.085 -0.371 -33.757 1.00 1.10 C ATOM 301 O ALA A 22 -3.749 0.778 -33.466 1.00 1.95 O ATOM 302 CB ALA A 22 -4.514 -2.558 -32.623 1.00 0.96 C ATOM 0 H ALA A 22 -2.994 -0.264 -31.493 1.00 1.05 H new ATOM 0 HA ALA A 22 -2.780 -2.058 -33.772 1.00 0.99 H new ATOM 0 HB1 ALA A 22 -5.093 -2.878 -33.490 1.00 0.96 H new ATOM 0 HB2 ALA A 22 -4.039 -3.425 -32.164 1.00 0.96 H new ATOM 0 HB3 ALA A 22 -5.177 -2.082 -31.900 1.00 0.96 H new ATOM 308 N VAL A 23 -4.997 -0.648 -34.674 1.00 0.94 N ATOM 309 CA VAL A 23 -5.709 0.397 -35.393 1.00 0.99 C ATOM 310 C VAL A 23 -6.930 0.814 -34.574 1.00 1.04 C ATOM 311 O VAL A 23 -7.188 0.243 -33.516 1.00 1.72 O ATOM 312 CB VAL A 23 -6.161 -0.102 -36.789 1.00 1.12 C ATOM 313 CG1 VAL A 23 -6.401 1.060 -37.745 1.00 1.60 C ATOM 314 CG2 VAL A 23 -5.147 -1.072 -37.377 1.00 1.68 C ATOM 0 H VAL A 23 -5.264 -1.596 -34.940 1.00 0.94 H new ATOM 0 HA VAL A 23 -5.043 1.248 -35.537 1.00 0.99 H new ATOM 0 HB VAL A 23 -7.106 -0.629 -36.655 1.00 1.12 H new ATOM 0 HG11 VAL A 23 -6.717 0.674 -38.714 1.00 1.60 H new ATOM 0 HG12 VAL A 23 -7.179 1.708 -37.342 1.00 1.60 H new ATOM 0 HG13 VAL A 23 -5.479 1.630 -37.864 1.00 1.60 H new ATOM 0 HG21 VAL A 23 -5.489 -1.406 -38.356 1.00 1.68 H new ATOM 0 HG22 VAL A 23 -4.183 -0.573 -37.480 1.00 1.68 H new ATOM 0 HG23 VAL A 23 -5.041 -1.932 -36.716 1.00 1.68 H new ATOM 324 N ARG A 24 -7.674 1.804 -35.053 1.00 0.69 N ATOM 325 CA ARG A 24 -8.918 2.225 -34.399 1.00 0.69 C ATOM 326 C ARG A 24 -10.029 1.184 -34.592 1.00 0.61 C ATOM 327 O ARG A 24 -11.117 1.485 -35.079 1.00 0.84 O ATOM 328 CB ARG A 24 -9.350 3.610 -34.912 1.00 0.85 C ATOM 329 CG ARG A 24 -9.184 3.816 -36.416 1.00 0.94 C ATOM 330 CD ARG A 24 -10.338 3.240 -37.218 1.00 1.08 C ATOM 331 NE ARG A 24 -10.313 3.694 -38.608 1.00 1.57 N ATOM 332 CZ ARG A 24 -10.781 2.994 -39.637 1.00 2.12 C ATOM 333 NH1 ARG A 24 -11.294 1.783 -39.452 1.00 2.44 N ATOM 334 NH2 ARG A 24 -10.742 3.508 -40.857 1.00 2.92 N ATOM 0 H ARG A 24 -7.441 2.334 -35.893 1.00 0.69 H new ATOM 0 HA ARG A 24 -8.732 2.302 -33.328 1.00 0.69 H new ATOM 0 HB2 ARG A 24 -10.396 3.768 -34.651 1.00 0.85 H new ATOM 0 HB3 ARG A 24 -8.772 4.372 -34.389 1.00 0.85 H new ATOM 0 HG2 ARG A 24 -9.098 4.882 -36.625 1.00 0.94 H new ATOM 0 HG3 ARG A 24 -8.253 3.351 -36.742 1.00 0.94 H new ATOM 0 HD2 ARG A 24 -10.292 2.151 -37.190 1.00 1.08 H new ATOM 0 HD3 ARG A 24 -11.282 3.531 -36.757 1.00 1.08 H new ATOM 0 HE ARG A 24 -9.909 4.610 -38.801 1.00 1.57 H new ATOM 0 HH11 ARG A 24 -11.331 1.383 -38.515 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -11.651 1.253 -40.247 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -10.353 4.439 -41.006 1.00 2.92 H new ATOM 0 HH22 ARG A 24 -11.101 2.973 -41.648 1.00 2.92 H new ATOM 348 N GLN A 25 -9.738 -0.041 -34.197 1.00 0.44 N ATOM 349 CA GLN A 25 -10.664 -1.146 -34.357 1.00 0.43 C ATOM 350 C GLN A 25 -10.771 -1.943 -33.064 1.00 0.37 C ATOM 351 O GLN A 25 -10.088 -2.955 -32.887 1.00 0.49 O ATOM 352 CB GLN A 25 -10.192 -2.061 -35.482 1.00 0.48 C ATOM 353 CG GLN A 25 -11.164 -3.183 -35.811 1.00 0.64 C ATOM 354 CD GLN A 25 -12.469 -2.672 -36.389 1.00 0.76 C ATOM 355 OE1 GLN A 25 -13.420 -2.387 -35.660 1.00 1.28 O ATOM 356 NE2 GLN A 25 -12.528 -2.565 -37.707 1.00 1.34 N ATOM 0 H GLN A 25 -8.854 -0.298 -33.757 1.00 0.44 H new ATOM 0 HA GLN A 25 -11.645 -0.742 -34.605 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -10.026 -1.463 -36.378 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -9.231 -2.495 -35.205 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -10.698 -3.865 -36.522 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -11.371 -3.756 -34.907 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -11.718 -2.811 -38.275 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -13.384 -2.236 -38.154 1.00 1.34 H new ATOM 365 N LYS A 26 -11.594 -1.468 -32.148 1.00 0.26 N ATOM 366 CA LYS A 26 -11.823 -2.184 -30.905 1.00 0.21 C ATOM 367 C LYS A 26 -13.096 -3.021 -31.004 1.00 0.24 C ATOM 368 O LYS A 26 -14.206 -2.495 -31.090 1.00 0.43 O ATOM 369 CB LYS A 26 -11.874 -1.216 -29.713 1.00 0.30 C ATOM 370 CG LYS A 26 -10.497 -0.699 -29.292 1.00 0.69 C ATOM 371 CD LYS A 26 -10.584 0.533 -28.391 1.00 1.08 C ATOM 372 CE LYS A 26 -11.288 0.248 -27.068 1.00 1.59 C ATOM 373 NZ LYS A 26 -10.481 -0.600 -26.142 1.00 2.11 N ATOM 0 H LYS A 26 -12.113 -0.595 -32.239 1.00 0.26 H new ATOM 0 HA LYS A 26 -10.987 -2.862 -30.734 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -12.509 -0.368 -29.970 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.340 -1.719 -28.866 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -9.960 -1.490 -28.769 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -9.917 -0.454 -30.182 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -9.578 0.903 -28.190 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -11.116 1.326 -28.917 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -11.519 1.193 -26.576 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -12.238 -0.247 -27.269 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -11.051 -0.842 -25.307 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -10.195 -1.472 -26.631 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -9.633 -0.077 -25.843 1.00 2.11 H new ATOM 387 N LYS A 27 -12.905 -4.331 -31.010 1.00 0.12 N ATOM 388 CA LYS A 27 -13.993 -5.288 -31.095 1.00 0.12 C ATOM 389 C LYS A 27 -14.412 -5.736 -29.703 1.00 0.13 C ATOM 390 O LYS A 27 -13.650 -5.607 -28.746 1.00 0.19 O ATOM 391 CB LYS A 27 -13.540 -6.506 -31.897 1.00 0.14 C ATOM 392 CG LYS A 27 -13.338 -6.250 -33.377 1.00 0.19 C ATOM 393 CD LYS A 27 -14.642 -5.909 -34.078 1.00 0.28 C ATOM 394 CE LYS A 27 -14.450 -5.816 -35.580 1.00 0.44 C ATOM 395 NZ LYS A 27 -15.730 -5.553 -36.291 1.00 1.27 N ATOM 0 H LYS A 27 -11.982 -4.762 -30.955 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.841 -4.812 -31.588 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.605 -6.875 -31.475 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -14.279 -7.299 -31.777 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.630 -5.432 -33.510 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -12.897 -7.132 -33.841 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -15.390 -6.669 -33.851 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -15.025 -4.962 -33.698 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -13.740 -5.021 -35.806 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -14.015 -6.745 -35.948 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -15.553 -5.497 -37.314 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -16.400 -6.325 -36.097 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -16.133 -4.653 -35.959 1.00 1.27 H new ATOM 409 N ARG A 28 -15.618 -6.272 -29.594 1.00 0.10 N ATOM 410 CA ARG A 28 -16.085 -6.827 -28.336 1.00 0.12 C ATOM 411 C ARG A 28 -16.614 -8.235 -28.550 1.00 0.09 C ATOM 412 O ARG A 28 -17.448 -8.473 -29.427 1.00 0.15 O ATOM 413 CB ARG A 28 -17.156 -5.933 -27.704 1.00 0.19 C ATOM 414 CG ARG A 28 -16.626 -4.569 -27.307 1.00 0.29 C ATOM 415 CD ARG A 28 -17.446 -3.938 -26.194 1.00 0.29 C ATOM 416 NE ARG A 28 -18.764 -3.478 -26.638 1.00 0.74 N ATOM 417 CZ ARG A 28 -19.360 -2.380 -26.161 1.00 1.15 C ATOM 418 NH1 ARG A 28 -18.736 -1.621 -25.267 1.00 1.40 N ATOM 419 NH2 ARG A 28 -20.570 -2.035 -26.582 1.00 1.65 N ATOM 0 H ARG A 28 -16.289 -6.334 -30.360 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.242 -6.872 -27.646 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -17.979 -5.807 -28.408 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.563 -6.430 -26.823 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.589 -4.664 -26.984 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -16.630 -3.912 -28.177 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -17.573 -4.663 -25.390 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -16.895 -3.094 -25.779 1.00 0.29 H new ATOM 0 HE ARG A 28 -19.253 -4.024 -27.348 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -17.802 -1.876 -24.945 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -19.190 -0.783 -24.903 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -21.052 -2.609 -27.274 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -21.018 -1.196 -26.214 1.00 1.65 H new ATOM 433 N ALA A 29 -16.106 -9.166 -27.756 1.00 0.08 N ATOM 434 CA ALA A 29 -16.503 -10.563 -27.839 1.00 0.07 C ATOM 435 C ALA A 29 -16.376 -11.213 -26.475 1.00 0.06 C ATOM 436 O ALA A 29 -15.960 -10.575 -25.514 1.00 0.08 O ATOM 437 CB ALA A 29 -15.665 -11.313 -28.869 1.00 0.08 C ATOM 0 H ALA A 29 -15.408 -8.974 -27.037 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.543 -10.609 -28.162 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -15.984 -12.354 -28.909 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.798 -10.855 -29.849 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.613 -11.266 -28.586 1.00 0.08 H new ATOM 443 N THR A 30 -16.736 -12.472 -26.385 1.00 0.06 N ATOM 444 CA THR A 30 -16.639 -13.186 -25.133 1.00 0.06 C ATOM 445 C THR A 30 -15.381 -14.039 -25.138 1.00 0.06 C ATOM 446 O THR A 30 -15.017 -14.598 -26.180 1.00 0.08 O ATOM 447 CB THR A 30 -17.868 -14.085 -24.916 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.864 -13.797 -25.909 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.461 -13.870 -23.534 1.00 0.11 C ATOM 0 H THR A 30 -17.099 -13.023 -27.163 1.00 0.06 H new ATOM 0 HA THR A 30 -16.596 -12.460 -24.321 1.00 0.06 H new ATOM 0 HB THR A 30 -17.548 -15.124 -25.002 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.644 -14.374 -25.767 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.329 -14.517 -23.406 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.715 -14.109 -22.777 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.766 -12.829 -23.427 1.00 0.11 H new ATOM 457 N VAL A 31 -14.703 -14.114 -24.001 1.00 0.08 N ATOM 458 CA VAL A 31 -13.532 -14.969 -23.874 1.00 0.10 C ATOM 459 C VAL A 31 -13.929 -16.421 -24.083 1.00 0.11 C ATOM 460 O VAL A 31 -14.687 -16.987 -23.297 1.00 0.14 O ATOM 461 CB VAL A 31 -12.851 -14.828 -22.497 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.604 -15.693 -22.431 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.503 -13.382 -22.214 1.00 0.13 C ATOM 0 H VAL A 31 -14.943 -13.595 -23.156 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.820 -14.653 -24.636 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.552 -15.167 -21.735 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.136 -15.582 -21.453 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.877 -16.737 -22.586 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.904 -15.382 -23.206 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -12.024 -13.307 -21.238 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.822 -13.015 -22.982 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.412 -12.781 -22.219 1.00 0.13 H new ATOM 473 N ASP A 32 -13.420 -16.995 -25.152 1.00 0.12 N ATOM 474 CA ASP A 32 -13.674 -18.380 -25.495 1.00 0.15 C ATOM 475 C ASP A 32 -12.965 -19.296 -24.513 1.00 0.15 C ATOM 476 O ASP A 32 -13.560 -20.234 -23.981 1.00 0.19 O ATOM 477 CB ASP A 32 -13.183 -18.655 -26.922 1.00 0.21 C ATOM 478 CG ASP A 32 -13.277 -20.119 -27.315 1.00 0.34 C ATOM 479 OD1 ASP A 32 -12.412 -20.914 -26.893 1.00 0.46 O ATOM 480 OD2 ASP A 32 -14.209 -20.472 -28.065 1.00 0.60 O ATOM 0 H ASP A 32 -12.813 -16.511 -25.814 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.746 -18.573 -25.443 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.769 -18.059 -27.622 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -12.148 -18.327 -27.013 1.00 0.21 H new ATOM 485 N SER A 33 -11.696 -18.995 -24.261 1.00 0.14 N ATOM 486 CA SER A 33 -10.859 -19.809 -23.394 1.00 0.18 C ATOM 487 C SER A 33 -9.657 -19.009 -22.914 1.00 0.13 C ATOM 488 O SER A 33 -9.293 -17.998 -23.511 1.00 0.14 O ATOM 489 CB SER A 33 -10.359 -21.052 -24.135 1.00 0.27 C ATOM 490 OG SER A 33 -11.424 -21.900 -24.529 1.00 1.07 O ATOM 0 H SER A 33 -11.221 -18.181 -24.652 1.00 0.14 H new ATOM 0 HA SER A 33 -11.463 -20.115 -22.540 1.00 0.18 H new ATOM 0 HB2 SER A 33 -9.794 -20.746 -25.016 1.00 0.27 H new ATOM 0 HB3 SER A 33 -9.674 -21.605 -23.493 1.00 0.27 H new ATOM 0 HG SER A 33 -11.721 -21.655 -25.430 1.00 1.07 H new ATOM 496 N ILE A 34 -9.054 -19.465 -21.833 1.00 0.16 N ATOM 497 CA ILE A 34 -7.817 -18.891 -21.341 1.00 0.14 C ATOM 498 C ILE A 34 -6.875 -20.015 -20.922 1.00 0.16 C ATOM 499 O ILE A 34 -7.210 -20.841 -20.071 1.00 0.19 O ATOM 500 CB ILE A 34 -8.067 -17.890 -20.177 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.406 -16.503 -20.742 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.862 -17.805 -19.246 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.843 -15.488 -19.698 1.00 0.17 C ATOM 0 H ILE A 34 -9.407 -20.241 -21.273 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.352 -18.317 -22.143 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.911 -18.255 -19.592 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.533 -16.114 -21.265 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.200 -16.610 -21.482 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -7.071 -17.097 -18.444 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.662 -18.788 -18.819 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.991 -17.470 -19.808 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -9.062 -14.537 -20.184 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.737 -15.850 -19.190 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -8.044 -15.347 -18.970 1.00 0.17 H new ATOM 515 N LYS A 35 -5.716 -20.058 -21.563 1.00 0.17 N ATOM 516 CA LYS A 35 -4.725 -21.093 -21.322 1.00 0.21 C ATOM 517 C LYS A 35 -3.516 -20.494 -20.614 1.00 0.20 C ATOM 518 O LYS A 35 -2.559 -20.065 -21.263 1.00 0.22 O ATOM 519 CB LYS A 35 -4.282 -21.728 -22.646 1.00 0.24 C ATOM 520 CG LYS A 35 -5.418 -22.368 -23.423 1.00 0.34 C ATOM 521 CD LYS A 35 -5.960 -23.603 -22.726 1.00 0.47 C ATOM 522 CE LYS A 35 -7.289 -24.016 -23.329 1.00 0.64 C ATOM 523 NZ LYS A 35 -7.779 -25.320 -22.803 1.00 1.56 N ATOM 0 H LYS A 35 -5.437 -19.374 -22.266 1.00 0.17 H new ATOM 0 HA LYS A 35 -5.171 -21.863 -20.693 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.813 -20.964 -23.267 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.523 -22.483 -22.441 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.222 -21.643 -23.553 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -5.068 -22.638 -24.419 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -5.245 -24.421 -22.814 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -6.084 -23.402 -21.662 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -8.031 -23.245 -23.125 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -7.187 -24.081 -24.412 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -8.689 -25.554 -23.248 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -7.086 -26.064 -23.020 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -7.904 -25.254 -21.773 1.00 1.56 H new ATOM 537 N GLY A 36 -3.577 -20.427 -19.293 1.00 0.25 N ATOM 538 CA GLY A 36 -2.488 -19.851 -18.531 1.00 0.28 C ATOM 539 C GLY A 36 -2.366 -18.355 -18.745 1.00 0.24 C ATOM 540 O GLY A 36 -3.223 -17.589 -18.308 1.00 0.29 O ATOM 0 H GLY A 36 -4.362 -20.761 -18.734 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -2.642 -20.053 -17.471 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.553 -20.334 -18.815 1.00 0.28 H new ATOM 544 N GLN A 37 -1.316 -17.940 -19.446 1.00 0.21 N ATOM 545 CA GLN A 37 -1.064 -16.519 -19.679 1.00 0.20 C ATOM 546 C GLN A 37 -1.716 -16.047 -20.972 1.00 0.17 C ATOM 547 O GLN A 37 -1.568 -14.891 -21.357 1.00 0.21 O ATOM 548 CB GLN A 37 0.438 -16.229 -19.759 1.00 0.24 C ATOM 549 CG GLN A 37 1.229 -16.607 -18.520 1.00 0.36 C ATOM 550 CD GLN A 37 0.915 -15.723 -17.327 1.00 1.27 C ATOM 551 OE1 GLN A 37 0.029 -16.023 -16.529 1.00 2.10 O ATOM 552 NE2 GLN A 37 1.644 -14.624 -17.198 1.00 1.94 N ATOM 0 H GLN A 37 -0.626 -18.565 -19.863 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.496 -15.981 -18.835 1.00 0.20 H new ATOM 0 HB2 GLN A 37 0.852 -16.764 -20.614 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.578 -15.165 -19.951 1.00 0.24 H new ATOM 0 HG2 GLN A 37 1.017 -17.645 -18.263 1.00 0.36 H new ATOM 0 HG3 GLN A 37 2.294 -16.544 -18.742 1.00 0.36 H new ATOM 0 HE21 GLN A 37 2.370 -14.410 -17.882 1.00 1.94 H new ATOM 0 HE22 GLN A 37 1.479 -13.992 -16.415 1.00 1.94 H new ATOM 561 N PHE A 38 -2.435 -16.925 -21.647 1.00 0.13 N ATOM 562 CA PHE A 38 -2.979 -16.581 -22.946 1.00 0.11 C ATOM 563 C PHE A 38 -4.476 -16.767 -22.981 1.00 0.10 C ATOM 564 O PHE A 38 -5.009 -17.715 -22.417 1.00 0.12 O ATOM 565 CB PHE A 38 -2.315 -17.402 -24.050 1.00 0.13 C ATOM 566 CG PHE A 38 -0.866 -17.064 -24.226 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.478 -16.110 -25.152 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.104 -17.676 -23.449 1.00 0.23 C ATOM 569 CE1 PHE A 38 0.851 -15.772 -25.298 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.434 -17.345 -23.594 1.00 0.29 C ATOM 571 CZ PHE A 38 1.807 -16.390 -24.518 1.00 0.32 C ATOM 0 H PHE A 38 -2.653 -17.867 -21.323 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.765 -15.527 -23.122 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.411 -18.462 -23.817 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.841 -17.233 -24.990 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.223 -15.626 -25.766 1.00 0.21 H new ATOM 0 HD2 PHE A 38 -0.185 -18.420 -22.722 1.00 0.23 H new ATOM 0 HE1 PHE A 38 1.143 -15.025 -26.021 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.182 -17.832 -22.986 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.848 -16.126 -24.631 1.00 0.32 H new ATOM 581 N GLY A 39 -5.142 -15.856 -23.644 1.00 0.09 N ATOM 582 CA GLY A 39 -6.571 -15.924 -23.755 1.00 0.09 C ATOM 583 C GLY A 39 -7.009 -15.957 -25.193 1.00 0.09 C ATOM 584 O GLY A 39 -6.260 -15.560 -26.083 1.00 0.11 O ATOM 0 H GLY A 39 -4.714 -15.059 -24.115 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.935 -16.814 -23.242 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -7.017 -15.063 -23.257 1.00 0.09 H new ATOM 588 N PHE A 40 -8.208 -16.445 -25.424 1.00 0.09 N ATOM 589 CA PHE A 40 -8.770 -16.502 -26.757 1.00 0.10 C ATOM 590 C PHE A 40 -10.206 -16.046 -26.701 1.00 0.10 C ATOM 591 O PHE A 40 -10.941 -16.417 -25.791 1.00 0.18 O ATOM 592 CB PHE A 40 -8.710 -17.931 -27.322 1.00 0.12 C ATOM 593 CG PHE A 40 -7.342 -18.557 -27.302 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.861 -19.168 -26.153 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.540 -18.544 -28.432 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.608 -19.748 -26.132 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.286 -19.124 -28.416 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.821 -19.727 -27.264 1.00 0.17 C ATOM 0 H PHE A 40 -8.820 -16.813 -24.696 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.189 -15.852 -27.411 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.392 -18.562 -26.752 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.073 -17.917 -28.350 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.474 -19.190 -25.264 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -6.899 -18.075 -29.336 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -5.245 -20.218 -25.230 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.670 -19.106 -29.303 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.842 -20.182 -27.250 1.00 0.17 H new ATOM 608 N LEU A 41 -10.599 -15.224 -27.651 1.00 0.10 N ATOM 609 CA LEU A 41 -11.970 -14.758 -27.725 1.00 0.09 C ATOM 610 C LEU A 41 -12.653 -15.463 -28.871 1.00 0.09 C ATOM 611 O LEU A 41 -11.987 -15.912 -29.806 1.00 0.13 O ATOM 612 CB LEU A 41 -12.057 -13.234 -27.929 1.00 0.09 C ATOM 613 CG LEU A 41 -11.197 -12.373 -27.002 1.00 0.15 C ATOM 614 CD1 LEU A 41 -11.291 -12.876 -25.584 1.00 0.59 C ATOM 615 CD2 LEU A 41 -9.768 -12.307 -27.506 1.00 0.53 C ATOM 0 H LEU A 41 -9.988 -14.864 -28.384 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.461 -14.984 -26.779 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.778 -13.011 -28.959 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -13.097 -12.932 -27.808 1.00 0.09 H new ATOM 0 HG LEU A 41 -11.577 -11.352 -27.005 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -10.674 -12.254 -24.936 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -12.328 -12.832 -25.250 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -10.939 -13.907 -25.540 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -9.173 -11.690 -26.833 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -9.348 -13.312 -27.543 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -9.754 -11.871 -28.505 1.00 0.53 H new ATOM 627 N ASN A 42 -13.968 -15.580 -28.809 1.00 0.11 N ATOM 628 CA ASN A 42 -14.695 -16.216 -29.889 1.00 0.15 C ATOM 629 C ASN A 42 -14.799 -15.260 -31.065 1.00 0.14 C ATOM 630 O ASN A 42 -15.844 -14.663 -31.315 1.00 0.17 O ATOM 631 CB ASN A 42 -16.078 -16.677 -29.440 1.00 0.22 C ATOM 632 CG ASN A 42 -16.679 -17.664 -30.416 1.00 0.79 C ATOM 633 OD1 ASN A 42 -15.958 -18.418 -31.074 1.00 1.53 O ATOM 634 ND2 ASN A 42 -17.996 -17.678 -30.510 1.00 1.37 N ATOM 0 H ASN A 42 -14.545 -15.249 -28.036 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.145 -17.105 -30.197 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -16.007 -17.136 -28.454 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.736 -15.814 -29.343 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -18.455 -18.330 -31.146 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -18.554 -17.037 -29.947 1.00 1.37 H new ATOM 641 N PHE A 43 -13.678 -15.084 -31.745 1.00 0.12 N ATOM 642 CA PHE A 43 -13.598 -14.199 -32.886 1.00 0.13 C ATOM 643 C PHE A 43 -12.700 -14.818 -33.954 1.00 0.16 C ATOM 644 O PHE A 43 -11.475 -14.768 -33.852 1.00 0.18 O ATOM 645 CB PHE A 43 -13.062 -12.822 -32.454 1.00 0.12 C ATOM 646 CG PHE A 43 -13.324 -11.732 -33.459 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.530 -11.047 -33.460 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.368 -11.391 -34.401 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.775 -10.046 -34.384 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.607 -10.392 -35.325 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.811 -9.719 -35.318 1.00 0.28 C ATOM 0 H PHE A 43 -12.801 -15.552 -31.518 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.595 -14.060 -33.304 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.518 -12.546 -31.503 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -11.988 -12.897 -32.283 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.287 -11.298 -32.731 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.423 -11.913 -34.414 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.719 -9.521 -34.375 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -11.851 -10.138 -36.053 1.00 0.27 H new ATOM 0 HZ PHE A 43 -14.000 -8.939 -36.041 1.00 0.28 H new ATOM 661 N GLU A 44 -13.321 -15.442 -34.949 1.00 0.23 N ATOM 662 CA GLU A 44 -12.588 -16.062 -36.049 1.00 0.30 C ATOM 663 C GLU A 44 -12.143 -14.999 -37.047 1.00 0.29 C ATOM 664 O GLU A 44 -12.924 -14.519 -37.871 1.00 0.39 O ATOM 665 CB GLU A 44 -13.456 -17.124 -36.725 1.00 0.44 C ATOM 666 CG GLU A 44 -13.815 -18.277 -35.795 1.00 0.60 C ATOM 667 CD GLU A 44 -14.712 -19.305 -36.453 1.00 1.14 C ATOM 668 OE1 GLU A 44 -14.198 -20.138 -37.228 1.00 1.81 O ATOM 669 OE2 GLU A 44 -15.930 -19.285 -36.193 1.00 1.57 O ATOM 0 H GLU A 44 -14.335 -15.532 -35.017 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.697 -16.552 -35.656 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.372 -16.659 -37.089 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -12.930 -17.516 -37.595 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -12.900 -18.763 -35.457 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -14.312 -17.882 -34.909 1.00 0.60 H new ATOM 676 N VAL A 45 -10.881 -14.631 -36.944 1.00 0.30 N ATOM 677 CA VAL A 45 -10.299 -13.580 -37.771 1.00 0.38 C ATOM 678 C VAL A 45 -9.939 -14.107 -39.144 1.00 0.45 C ATOM 679 O VAL A 45 -10.041 -13.407 -40.151 1.00 0.58 O ATOM 680 CB VAL A 45 -9.037 -13.018 -37.102 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.411 -12.323 -35.814 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.035 -14.135 -36.837 1.00 0.71 C ATOM 0 H VAL A 45 -10.225 -15.050 -36.285 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.042 -12.790 -37.879 1.00 0.38 H new ATOM 0 HB VAL A 45 -8.570 -12.295 -37.771 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.513 -11.925 -35.341 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -10.101 -11.507 -36.028 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -9.890 -13.035 -35.142 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.145 -13.721 -36.362 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.485 -14.879 -36.179 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -7.757 -14.606 -37.780 1.00 0.71 H new ATOM 692 N GLU A 46 -9.524 -15.352 -39.157 1.00 0.51 N ATOM 693 CA GLU A 46 -9.117 -16.040 -40.333 1.00 0.61 C ATOM 694 C GLU A 46 -9.731 -17.431 -40.240 1.00 0.62 C ATOM 695 O GLU A 46 -10.396 -17.717 -39.244 1.00 0.97 O ATOM 696 CB GLU A 46 -7.581 -16.047 -40.352 1.00 0.75 C ATOM 697 CG GLU A 46 -6.954 -16.946 -41.386 1.00 0.88 C ATOM 698 CD GLU A 46 -7.206 -16.493 -42.807 1.00 1.35 C ATOM 699 OE1 GLU A 46 -6.454 -15.634 -43.307 1.00 2.24 O ATOM 700 OE2 GLU A 46 -8.150 -17.009 -43.435 1.00 1.57 O ATOM 0 H GLU A 46 -9.463 -15.923 -38.314 1.00 0.51 H new ATOM 0 HA GLU A 46 -9.447 -15.579 -41.264 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -7.231 -15.028 -40.520 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.223 -16.348 -39.367 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -5.879 -16.993 -41.212 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -7.341 -17.957 -41.261 1.00 0.88 H new ATOM 707 N ASP A 47 -9.529 -18.252 -41.259 1.00 0.85 N ATOM 708 CA ASP A 47 -10.068 -19.616 -41.341 1.00 0.84 C ATOM 709 C ASP A 47 -10.008 -20.383 -40.022 1.00 0.83 C ATOM 710 O ASP A 47 -9.031 -21.086 -39.751 1.00 1.18 O ATOM 711 CB ASP A 47 -9.260 -20.390 -42.356 1.00 0.90 C ATOM 712 CG ASP A 47 -9.860 -21.743 -42.675 1.00 1.18 C ATOM 713 OD1 ASP A 47 -11.080 -21.809 -42.932 1.00 1.30 O ATOM 714 OD2 ASP A 47 -9.107 -22.743 -42.697 1.00 1.55 O ATOM 0 H ASP A 47 -8.974 -17.990 -42.074 1.00 0.85 H new ATOM 0 HA ASP A 47 -11.118 -19.520 -41.617 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -9.183 -19.806 -43.273 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -8.247 -20.527 -41.979 1.00 0.90 H new ATOM 719 N GLY A 48 -11.022 -20.208 -39.187 1.00 0.65 N ATOM 720 CA GLY A 48 -11.129 -20.989 -37.974 1.00 0.67 C ATOM 721 C GLY A 48 -10.054 -20.603 -36.994 1.00 0.58 C ATOM 722 O GLY A 48 -9.755 -21.334 -36.046 1.00 0.66 O ATOM 0 H GLY A 48 -11.775 -19.535 -39.330 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.110 -20.837 -37.523 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -11.048 -22.050 -38.211 1.00 0.67 H new ATOM 726 N LYS A 49 -9.466 -19.445 -37.237 1.00 0.48 N ATOM 727 CA LYS A 49 -8.378 -18.966 -36.426 1.00 0.44 C ATOM 728 C LYS A 49 -8.943 -18.174 -35.257 1.00 0.36 C ATOM 729 O LYS A 49 -9.475 -17.077 -35.440 1.00 0.35 O ATOM 730 CB LYS A 49 -7.443 -18.097 -37.271 1.00 0.50 C ATOM 731 CG LYS A 49 -6.769 -18.844 -38.414 1.00 0.71 C ATOM 732 CD LYS A 49 -5.705 -19.821 -37.934 1.00 0.93 C ATOM 733 CE LYS A 49 -4.450 -19.112 -37.437 1.00 1.41 C ATOM 734 NZ LYS A 49 -3.330 -20.069 -37.225 1.00 2.50 N ATOM 0 H LYS A 49 -9.732 -18.820 -37.998 1.00 0.48 H new ATOM 0 HA LYS A 49 -7.803 -19.807 -36.040 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.011 -17.262 -37.681 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -6.675 -17.673 -36.625 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -7.524 -19.387 -38.983 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -6.314 -18.124 -39.094 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -6.114 -20.435 -37.132 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -5.440 -20.495 -38.748 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -4.150 -18.353 -38.159 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -4.669 -18.594 -36.503 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -2.492 -19.554 -36.887 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -3.609 -20.778 -36.517 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -3.105 -20.545 -38.122 1.00 2.50 H new ATOM 748 N LYS A 50 -8.838 -18.739 -34.063 1.00 0.37 N ATOM 749 CA LYS A 50 -9.372 -18.110 -32.869 1.00 0.32 C ATOM 750 C LYS A 50 -8.464 -16.961 -32.445 1.00 0.27 C ATOM 751 O LYS A 50 -7.239 -17.106 -32.441 1.00 0.36 O ATOM 752 CB LYS A 50 -9.487 -19.146 -31.745 1.00 0.41 C ATOM 753 CG LYS A 50 -10.392 -18.714 -30.604 1.00 0.47 C ATOM 754 CD LYS A 50 -11.867 -18.864 -30.959 1.00 0.47 C ATOM 755 CE LYS A 50 -12.313 -20.318 -30.915 1.00 0.69 C ATOM 756 NZ LYS A 50 -13.790 -20.439 -30.754 1.00 1.32 N ATOM 0 H LYS A 50 -8.384 -19.638 -33.897 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.365 -17.713 -33.080 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -9.864 -20.080 -32.162 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -8.492 -19.352 -31.350 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -10.169 -19.310 -29.719 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.184 -17.675 -30.349 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -12.469 -18.278 -30.265 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -12.044 -18.459 -31.955 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -12.005 -20.821 -31.832 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -11.814 -20.826 -30.090 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -14.156 -21.144 -31.426 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -14.010 -20.739 -29.783 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -14.236 -19.518 -30.941 1.00 1.32 H new ATOM 770 N LEU A 51 -9.063 -15.822 -32.121 1.00 0.19 N ATOM 771 CA LEU A 51 -8.301 -14.665 -31.676 1.00 0.13 C ATOM 772 C LEU A 51 -7.604 -14.946 -30.356 1.00 0.12 C ATOM 773 O LEU A 51 -8.248 -15.319 -29.380 1.00 0.16 O ATOM 774 CB LEU A 51 -9.201 -13.444 -31.507 1.00 0.13 C ATOM 775 CG LEU A 51 -8.907 -12.284 -32.457 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.668 -11.049 -32.032 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.419 -11.986 -32.513 1.00 0.16 C ATOM 0 H LEU A 51 -10.072 -15.676 -32.158 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.555 -14.460 -32.444 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.237 -13.754 -31.647 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -9.111 -13.085 -30.482 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.234 -12.577 -33.455 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.448 -10.232 -32.719 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.738 -11.258 -32.047 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.368 -10.766 -31.023 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.240 -11.156 -33.197 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.064 -11.719 -31.518 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -6.884 -12.868 -32.865 1.00 0.16 H new ATOM 789 N PHE A 52 -6.296 -14.756 -30.325 1.00 0.12 N ATOM 790 CA PHE A 52 -5.541 -14.951 -29.104 1.00 0.11 C ATOM 791 C PHE A 52 -5.080 -13.609 -28.559 1.00 0.10 C ATOM 792 O PHE A 52 -5.013 -12.616 -29.293 1.00 0.12 O ATOM 793 CB PHE A 52 -4.330 -15.866 -29.343 1.00 0.14 C ATOM 794 CG PHE A 52 -3.142 -15.172 -29.955 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.014 -15.057 -31.330 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.147 -14.638 -29.145 1.00 0.28 C ATOM 797 CE1 PHE A 52 -1.918 -14.422 -31.886 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.053 -14.002 -29.694 1.00 0.37 C ATOM 799 CZ PHE A 52 -0.937 -13.894 -31.066 1.00 0.39 C ATOM 0 H PHE A 52 -5.739 -14.468 -31.129 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.192 -15.432 -28.374 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -4.029 -16.307 -28.393 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.632 -16.687 -29.994 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -3.778 -15.467 -31.974 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.231 -14.722 -28.072 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -1.828 -14.339 -32.959 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.289 -13.589 -29.052 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.081 -13.398 -31.498 1.00 0.39 H new ATOM 809 N PHE A 53 -4.780 -13.584 -27.275 1.00 0.10 N ATOM 810 CA PHE A 53 -4.207 -12.417 -26.640 1.00 0.10 C ATOM 811 C PHE A 53 -3.390 -12.857 -25.439 1.00 0.11 C ATOM 812 O PHE A 53 -3.637 -13.924 -24.875 1.00 0.13 O ATOM 813 CB PHE A 53 -5.306 -11.426 -26.230 1.00 0.10 C ATOM 814 CG PHE A 53 -6.212 -11.891 -25.119 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.877 -11.674 -23.792 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.414 -12.515 -25.402 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.723 -12.074 -22.778 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.253 -12.918 -24.393 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.913 -12.695 -23.086 1.00 0.14 C ATOM 0 H PHE A 53 -4.927 -14.372 -26.645 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.554 -11.903 -27.345 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.834 -10.492 -25.925 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -5.917 -11.204 -27.105 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.944 -11.187 -23.549 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.696 -12.687 -26.430 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -6.453 -11.901 -21.747 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.183 -13.412 -24.631 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.579 -13.007 -22.295 1.00 0.14 H new ATOM 829 N HIS A 54 -2.411 -12.062 -25.064 1.00 0.13 N ATOM 830 CA HIS A 54 -1.597 -12.371 -23.909 1.00 0.15 C ATOM 831 C HIS A 54 -2.178 -11.648 -22.695 1.00 0.15 C ATOM 832 O HIS A 54 -2.808 -10.598 -22.833 1.00 0.16 O ATOM 833 CB HIS A 54 -0.138 -11.958 -24.156 1.00 0.18 C ATOM 834 CG HIS A 54 0.818 -12.464 -23.117 1.00 0.21 C ATOM 835 ND1 HIS A 54 1.818 -11.707 -22.544 1.00 0.34 N ATOM 836 CD2 HIS A 54 0.919 -13.694 -22.560 1.00 0.25 C ATOM 837 CE1 HIS A 54 2.477 -12.488 -21.675 1.00 0.34 C ATOM 838 NE2 HIS A 54 1.968 -13.704 -21.648 1.00 0.27 N ATOM 0 H HIS A 54 -2.160 -11.197 -25.542 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.604 -13.445 -23.724 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.174 -12.326 -25.133 1.00 0.18 H new ATOM 0 HB3 HIS A 54 -0.079 -10.870 -24.192 1.00 0.18 H new ATOM 0 HD1 HIS A 54 2.021 -10.728 -22.745 1.00 0.34 H new ATOM 0 HD2 HIS A 54 0.283 -14.537 -22.789 1.00 0.25 H new ATOM 0 HE1 HIS A 54 3.315 -12.163 -21.076 1.00 0.34 H new ATOM 846 N MET A 55 -1.970 -12.208 -21.511 1.00 0.16 N ATOM 847 CA MET A 55 -2.468 -11.621 -20.266 1.00 0.17 C ATOM 848 C MET A 55 -1.835 -10.257 -19.973 1.00 0.17 C ATOM 849 O MET A 55 -2.134 -9.634 -18.955 1.00 0.27 O ATOM 850 CB MET A 55 -2.184 -12.572 -19.104 1.00 0.24 C ATOM 851 CG MET A 55 -3.264 -13.615 -18.876 1.00 0.76 C ATOM 852 SD MET A 55 -4.806 -12.899 -18.279 1.00 1.86 S ATOM 853 CE MET A 55 -5.748 -14.385 -17.932 1.00 2.43 C ATOM 0 H MET A 55 -1.454 -13.078 -21.382 1.00 0.16 H new ATOM 0 HA MET A 55 -3.541 -11.469 -20.382 1.00 0.17 H new ATOM 0 HB2 MET A 55 -1.237 -13.080 -19.288 1.00 0.24 H new ATOM 0 HB3 MET A 55 -2.061 -11.987 -18.192 1.00 0.24 H new ATOM 0 HG2 MET A 55 -3.452 -14.147 -19.808 1.00 0.76 H new ATOM 0 HG3 MET A 55 -2.907 -14.351 -18.156 1.00 0.76 H new ATOM 0 HE1 MET A 55 -6.751 -14.112 -17.603 1.00 2.43 H new ATOM 0 HE2 MET A 55 -5.815 -14.992 -18.835 1.00 2.43 H new ATOM 0 HE3 MET A 55 -5.252 -14.955 -17.147 1.00 2.43 H new ATOM 863 N SER A 56 -0.964 -9.799 -20.863 1.00 0.16 N ATOM 864 CA SER A 56 -0.308 -8.512 -20.701 1.00 0.19 C ATOM 865 C SER A 56 -1.179 -7.397 -21.274 1.00 0.17 C ATOM 866 O SER A 56 -1.046 -6.235 -20.890 1.00 0.24 O ATOM 867 CB SER A 56 1.064 -8.530 -21.386 1.00 0.26 C ATOM 868 OG SER A 56 1.806 -7.358 -21.097 1.00 0.91 O ATOM 0 H SER A 56 -0.696 -10.304 -21.708 1.00 0.16 H new ATOM 0 HA SER A 56 -0.163 -8.322 -19.638 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.624 -9.406 -21.058 1.00 0.26 H new ATOM 0 HB3 SER A 56 0.932 -8.621 -22.464 1.00 0.26 H new ATOM 0 HG SER A 56 2.675 -7.402 -21.547 1.00 0.91 H new ATOM 874 N GLU A 57 -2.070 -7.756 -22.194 1.00 0.14 N ATOM 875 CA GLU A 57 -2.997 -6.800 -22.773 1.00 0.17 C ATOM 876 C GLU A 57 -4.293 -6.769 -21.963 1.00 0.16 C ATOM 877 O GLU A 57 -5.201 -5.994 -22.251 1.00 0.20 O ATOM 878 CB GLU A 57 -3.306 -7.153 -24.237 1.00 0.22 C ATOM 879 CG GLU A 57 -2.091 -7.163 -25.158 1.00 0.32 C ATOM 880 CD GLU A 57 -1.261 -8.432 -25.050 1.00 1.10 C ATOM 881 OE1 GLU A 57 -1.640 -9.444 -25.671 1.00 1.96 O ATOM 882 OE2 GLU A 57 -0.224 -8.415 -24.350 1.00 1.20 O ATOM 0 H GLU A 57 -2.166 -8.706 -22.553 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.531 -5.815 -22.746 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -3.777 -8.135 -24.268 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.033 -6.438 -24.624 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -2.425 -7.043 -26.189 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -1.461 -6.305 -24.925 1.00 0.32 H new ATOM 889 N VAL A 58 -4.356 -7.625 -20.953 1.00 0.17 N ATOM 890 CA VAL A 58 -5.526 -7.770 -20.100 1.00 0.17 C ATOM 891 C VAL A 58 -5.705 -6.580 -19.145 1.00 0.20 C ATOM 892 O VAL A 58 -4.739 -5.916 -18.765 1.00 0.27 O ATOM 893 CB VAL A 58 -5.414 -9.103 -19.322 1.00 0.16 C ATOM 894 CG1 VAL A 58 -6.085 -9.056 -17.963 1.00 0.27 C ATOM 895 CG2 VAL A 58 -5.992 -10.238 -20.146 1.00 0.22 C ATOM 0 H VAL A 58 -3.587 -8.245 -20.700 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.415 -7.785 -20.730 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.352 -9.274 -19.145 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -5.972 -10.020 -17.468 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.622 -8.279 -17.355 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -7.145 -8.835 -18.088 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -5.908 -11.171 -19.589 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -7.042 -10.035 -20.359 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.442 -10.324 -21.083 1.00 0.22 H new ATOM 905 N GLN A 59 -6.965 -6.324 -18.792 1.00 0.20 N ATOM 906 CA GLN A 59 -7.349 -5.215 -17.927 1.00 0.25 C ATOM 907 C GLN A 59 -6.697 -5.325 -16.550 1.00 0.34 C ATOM 908 O GLN A 59 -7.187 -6.044 -15.676 1.00 0.57 O ATOM 909 CB GLN A 59 -8.879 -5.201 -17.782 1.00 0.31 C ATOM 910 CG GLN A 59 -9.498 -3.814 -17.610 1.00 0.41 C ATOM 911 CD GLN A 59 -9.544 -3.311 -16.174 1.00 0.77 C ATOM 912 OE1 GLN A 59 -8.692 -3.631 -15.354 1.00 1.60 O ATOM 913 NE2 GLN A 59 -10.550 -2.508 -15.863 1.00 1.25 N ATOM 0 H GLN A 59 -7.755 -6.889 -19.104 1.00 0.20 H new ATOM 0 HA GLN A 59 -7.005 -4.286 -18.381 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.317 -5.671 -18.662 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -9.153 -5.814 -16.923 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -8.933 -3.102 -18.212 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.513 -3.832 -18.007 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -11.243 -2.261 -16.570 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -10.632 -2.136 -14.917 1.00 1.25 H new ATOM 922 N GLY A 60 -5.579 -4.629 -16.384 1.00 0.40 N ATOM 923 CA GLY A 60 -4.972 -4.475 -15.078 1.00 0.49 C ATOM 924 C GLY A 60 -4.338 -5.746 -14.551 1.00 0.44 C ATOM 925 O GLY A 60 -3.130 -5.955 -14.688 1.00 0.58 O ATOM 0 H GLY A 60 -5.078 -4.164 -17.141 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -4.213 -3.694 -15.129 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -5.730 -4.137 -14.372 1.00 0.49 H new ATOM 929 N ASN A 61 -5.151 -6.594 -13.938 1.00 0.47 N ATOM 930 CA ASN A 61 -4.660 -7.813 -13.312 1.00 0.52 C ATOM 931 C ASN A 61 -5.175 -9.035 -14.048 1.00 0.52 C ATOM 932 O ASN A 61 -6.305 -9.056 -14.533 1.00 0.49 O ATOM 933 CB ASN A 61 -5.074 -7.903 -11.838 1.00 0.63 C ATOM 934 CG ASN A 61 -4.528 -6.774 -10.980 1.00 1.27 C ATOM 935 OD1 ASN A 61 -3.375 -6.237 -11.347 1.00 2.20 O flip ATOM 936 ND2 ASN A 61 -5.139 -6.390 -9.982 1.00 1.71 N flip ATOM 0 H ASN A 61 -6.159 -6.459 -13.861 1.00 0.47 H new ATOM 0 HA ASN A 61 -3.572 -7.782 -13.365 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -6.162 -7.902 -11.775 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -4.732 -8.855 -11.431 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -6.025 -6.826 -9.728 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -4.759 -5.636 -9.410 1.00 1.71 H new ATOM 943 N THR A 62 -4.351 -10.069 -14.094 1.00 0.62 N ATOM 944 CA THR A 62 -4.672 -11.287 -14.825 1.00 0.71 C ATOM 945 C THR A 62 -5.757 -12.102 -14.118 1.00 0.70 C ATOM 946 O THR A 62 -6.275 -13.083 -14.648 1.00 0.82 O ATOM 947 CB THR A 62 -3.407 -12.140 -15.001 1.00 0.86 C ATOM 948 OG1 THR A 62 -2.881 -12.515 -13.718 1.00 0.87 O ATOM 949 CG2 THR A 62 -2.359 -11.347 -15.757 1.00 0.95 C ATOM 0 H THR A 62 -3.444 -10.089 -13.628 1.00 0.62 H new ATOM 0 HA THR A 62 -5.058 -10.997 -15.803 1.00 0.71 H new ATOM 0 HB THR A 62 -3.664 -13.039 -15.561 1.00 0.86 H new ATOM 0 HG1 THR A 62 -2.076 -13.060 -13.841 1.00 0.87 H new ATOM 0 HG21 THR A 62 -1.462 -11.954 -15.881 1.00 0.95 H new ATOM 0 HG22 THR A 62 -2.748 -11.071 -16.737 1.00 0.95 H new ATOM 0 HG23 THR A 62 -2.112 -10.445 -15.198 1.00 0.95 H new ATOM 957 N VAL A 63 -6.073 -11.694 -12.901 1.00 0.63 N ATOM 958 CA VAL A 63 -7.104 -12.352 -12.105 1.00 0.71 C ATOM 959 C VAL A 63 -8.449 -11.625 -12.265 1.00 0.64 C ATOM 960 O VAL A 63 -9.469 -12.046 -11.726 1.00 0.74 O ATOM 961 CB VAL A 63 -6.709 -12.390 -10.606 1.00 0.84 C ATOM 962 CG1 VAL A 63 -7.614 -13.326 -9.814 1.00 1.39 C ATOM 963 CG2 VAL A 63 -5.255 -12.804 -10.437 1.00 1.31 C ATOM 0 H VAL A 63 -5.628 -10.903 -12.436 1.00 0.63 H new ATOM 0 HA VAL A 63 -7.202 -13.376 -12.466 1.00 0.71 H new ATOM 0 HB VAL A 63 -6.835 -11.381 -10.213 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -7.309 -13.328 -8.768 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -8.646 -12.985 -9.890 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -7.535 -14.336 -10.217 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -5.003 -12.823 -9.377 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -5.107 -13.796 -10.863 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -4.611 -12.090 -10.950 1.00 1.31 H new ATOM 973 N ALA A 64 -8.442 -10.531 -13.016 1.00 0.55 N ATOM 974 CA ALA A 64 -9.652 -9.733 -13.209 1.00 0.53 C ATOM 975 C ALA A 64 -10.394 -10.144 -14.473 1.00 0.44 C ATOM 976 O ALA A 64 -11.580 -9.845 -14.642 1.00 0.56 O ATOM 977 CB ALA A 64 -9.302 -8.258 -13.261 1.00 0.57 C ATOM 0 H ALA A 64 -7.618 -10.175 -13.500 1.00 0.55 H new ATOM 0 HA ALA A 64 -10.313 -9.914 -12.361 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -10.211 -7.673 -13.405 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -8.826 -7.964 -12.326 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -8.618 -8.075 -14.090 1.00 0.57 H new ATOM 983 N LEU A 65 -9.696 -10.844 -15.350 1.00 0.35 N ATOM 984 CA LEU A 65 -10.259 -11.245 -16.629 1.00 0.25 C ATOM 985 C LEU A 65 -10.408 -12.768 -16.657 1.00 0.22 C ATOM 986 O LEU A 65 -9.435 -13.493 -16.453 1.00 0.26 O ATOM 987 CB LEU A 65 -9.327 -10.757 -17.747 1.00 0.23 C ATOM 988 CG LEU A 65 -10.000 -10.237 -19.019 1.00 0.25 C ATOM 989 CD1 LEU A 65 -9.479 -8.850 -19.356 1.00 1.51 C ATOM 990 CD2 LEU A 65 -9.776 -11.210 -20.170 1.00 1.21 C ATOM 0 H LEU A 65 -8.734 -11.148 -15.199 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.245 -10.804 -16.775 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.698 -9.963 -17.345 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.665 -11.578 -18.022 1.00 0.23 H new ATOM 0 HG LEU A 65 -11.074 -10.161 -18.850 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -9.964 -8.489 -20.263 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.697 -8.170 -18.533 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -8.402 -8.895 -19.514 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -10.260 -10.828 -21.069 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -8.707 -11.319 -20.352 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -10.201 -12.181 -19.914 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.621 -13.250 -16.908 1.00 0.20 N ATOM 1003 CA HIS A 66 -11.903 -14.679 -16.832 1.00 0.21 C ATOM 1004 C HIS A 66 -12.468 -15.202 -18.148 1.00 0.15 C ATOM 1005 O HIS A 66 -13.040 -14.442 -18.933 1.00 0.15 O ATOM 1006 CB HIS A 66 -12.915 -14.965 -15.714 1.00 0.31 C ATOM 1007 CG HIS A 66 -12.493 -14.518 -14.346 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -11.810 -15.311 -13.450 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -12.692 -13.330 -13.715 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -11.620 -14.602 -12.329 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -12.138 -13.396 -12.436 1.00 0.91 N ATOM 0 H HIS A 66 -12.422 -12.674 -17.165 1.00 0.20 H new ATOM 0 HA HIS A 66 -10.961 -15.186 -16.622 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -13.857 -14.478 -15.964 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -13.109 -16.037 -15.686 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -13.197 -12.473 -14.136 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -11.109 -14.971 -11.452 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -12.135 -12.661 -11.729 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.311 -16.512 -18.416 1.00 0.15 N ATOM 1020 CA PRO A 67 -12.945 -17.158 -19.569 1.00 0.14 C ATOM 1021 C PRO A 67 -14.462 -17.196 -19.419 1.00 0.15 C ATOM 1022 O PRO A 67 -14.983 -17.642 -18.393 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.366 -18.576 -19.557 1.00 0.19 C ATOM 1024 CG PRO A 67 -11.940 -18.802 -18.146 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.495 -17.458 -17.634 1.00 0.19 C ATOM 0 HA PRO A 67 -12.753 -16.626 -20.501 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -13.110 -19.310 -19.868 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.524 -18.665 -20.243 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.761 -19.197 -17.548 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.129 -19.529 -18.093 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.675 -17.355 -16.564 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.429 -17.299 -17.795 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.165 -16.728 -20.438 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.609 -16.663 -20.371 1.00 0.18 C ATOM 1035 C GLY A 68 -17.104 -15.254 -20.131 1.00 0.18 C ATOM 1036 O GLY A 68 -18.300 -14.976 -20.249 1.00 0.22 O ATOM 0 H GLY A 68 -14.761 -16.391 -21.312 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -17.032 -17.042 -21.301 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -16.964 -17.313 -19.571 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.183 -14.361 -19.784 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.514 -12.952 -19.603 1.00 0.20 C ATOM 1042 C ASP A 69 -16.565 -12.241 -20.943 1.00 0.13 C ATOM 1043 O ASP A 69 -15.852 -12.614 -21.882 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.477 -12.245 -18.724 1.00 0.27 C ATOM 1045 CG ASP A 69 -15.643 -12.507 -17.241 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -16.776 -12.829 -16.817 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -14.644 -12.434 -16.498 1.00 1.09 O ATOM 0 H ASP A 69 -15.202 -14.588 -19.623 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.489 -12.912 -19.117 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -14.480 -12.563 -19.029 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -15.537 -11.171 -18.902 1.00 0.27 H new ATOM 1052 N THR A 70 -17.409 -11.226 -21.042 1.00 0.13 N ATOM 1053 CA THR A 70 -17.407 -10.369 -22.205 1.00 0.11 C ATOM 1054 C THR A 70 -16.229 -9.422 -22.103 1.00 0.10 C ATOM 1055 O THR A 70 -16.002 -8.820 -21.054 1.00 0.14 O ATOM 1056 CB THR A 70 -18.704 -9.549 -22.328 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.837 -10.370 -21.998 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.863 -9.013 -23.744 1.00 0.15 C ATOM 0 H THR A 70 -18.099 -10.981 -20.332 1.00 0.13 H new ATOM 0 HA THR A 70 -17.333 -11.000 -23.091 1.00 0.11 H new ATOM 0 HB THR A 70 -18.648 -8.710 -21.635 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.658 -9.841 -22.077 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.785 -8.436 -23.813 1.00 0.15 H new ATOM 0 HG22 THR A 70 -18.015 -8.373 -23.988 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.903 -9.846 -24.446 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.461 -9.305 -23.160 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.303 -8.442 -23.147 1.00 0.12 C ATOM 1068 C VAL A 71 -14.230 -7.620 -24.402 1.00 0.12 C ATOM 1069 O VAL A 71 -14.841 -7.935 -25.428 1.00 0.16 O ATOM 1070 CB VAL A 71 -12.984 -9.225 -22.970 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -12.964 -9.951 -21.633 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.777 -10.195 -24.118 1.00 0.24 C ATOM 0 H VAL A 71 -15.617 -9.796 -24.040 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.422 -7.784 -22.286 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.160 -8.512 -22.979 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -12.026 -10.496 -21.529 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -13.054 -9.226 -20.824 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.798 -10.652 -21.587 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.842 -10.736 -23.973 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.605 -10.903 -24.150 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.735 -9.644 -25.057 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.493 -6.553 -24.290 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.261 -5.662 -25.387 1.00 0.14 C ATOM 1084 C GLU A 72 -11.784 -5.709 -25.750 1.00 0.14 C ATOM 1085 O GLU A 72 -10.931 -5.791 -24.874 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.710 -4.257 -24.993 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.770 -3.170 -25.442 1.00 0.33 C ATOM 1088 CD GLU A 72 -13.286 -1.782 -25.143 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -12.561 -0.997 -24.496 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -14.436 -1.492 -25.522 1.00 0.78 O ATOM 0 H GLU A 72 -13.031 -6.275 -23.424 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.835 -5.960 -26.264 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.697 -4.069 -25.416 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -13.814 -4.210 -23.909 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -11.806 -3.306 -24.953 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -12.599 -3.265 -26.514 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.487 -5.694 -27.029 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.124 -5.856 -27.496 1.00 0.08 C ATOM 1099 C PHE A 73 -9.960 -5.154 -28.824 1.00 0.07 C ATOM 1100 O PHE A 73 -10.902 -4.560 -29.326 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.787 -7.340 -27.638 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.808 -8.105 -28.430 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.684 -8.250 -29.802 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -11.900 -8.669 -27.799 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.633 -8.942 -30.524 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -12.848 -9.363 -28.513 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.716 -9.500 -29.878 1.00 0.10 C ATOM 0 H PHE A 73 -12.175 -5.570 -27.772 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.441 -5.415 -26.770 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.814 -7.441 -28.119 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.700 -7.783 -26.646 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.836 -7.817 -30.311 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.010 -8.563 -26.730 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.528 -9.047 -31.594 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.695 -9.800 -28.005 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.460 -10.044 -30.441 1.00 0.10 H new ATOM 1117 N SER A 74 -8.778 -5.208 -29.395 1.00 0.09 N ATOM 1118 CA SER A 74 -8.562 -4.604 -30.693 1.00 0.10 C ATOM 1119 C SER A 74 -8.001 -5.651 -31.631 1.00 0.12 C ATOM 1120 O SER A 74 -7.025 -6.321 -31.303 1.00 0.19 O ATOM 1121 CB SER A 74 -7.611 -3.404 -30.592 1.00 0.15 C ATOM 1122 OG SER A 74 -7.628 -2.624 -31.775 1.00 0.86 O ATOM 0 H SER A 74 -7.959 -5.658 -28.988 1.00 0.09 H new ATOM 0 HA SER A 74 -9.512 -4.235 -31.080 1.00 0.10 H new ATOM 0 HB2 SER A 74 -7.896 -2.784 -29.742 1.00 0.15 H new ATOM 0 HB3 SER A 74 -6.597 -3.757 -30.403 1.00 0.15 H new ATOM 0 HG SER A 74 -8.515 -2.676 -32.188 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.628 -5.803 -32.782 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.233 -6.830 -33.718 1.00 0.19 C ATOM 1130 C VAL A 75 -7.267 -6.271 -34.763 1.00 0.20 C ATOM 1131 O VAL A 75 -7.660 -5.613 -35.727 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.470 -7.493 -34.376 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -10.348 -6.477 -35.086 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -9.049 -8.590 -35.334 1.00 0.36 C ATOM 0 H VAL A 75 -9.412 -5.227 -33.088 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.706 -7.608 -33.166 1.00 0.19 H new ATOM 0 HB VAL A 75 -10.061 -7.936 -33.574 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -11.203 -6.984 -35.533 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.700 -5.736 -34.368 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.772 -5.981 -35.867 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.934 -9.040 -35.783 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.420 -8.167 -36.117 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.490 -9.352 -34.791 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.984 -6.505 -34.529 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.953 -6.100 -35.471 1.00 0.26 C ATOM 1146 C VAL A 76 -4.433 -7.314 -36.232 1.00 0.25 C ATOM 1147 O VAL A 76 -3.804 -8.205 -35.658 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.789 -5.349 -34.767 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -3.229 -6.153 -33.596 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.690 -4.993 -35.768 1.00 0.42 C ATOM 0 H VAL A 76 -5.633 -6.974 -33.694 1.00 0.19 H new ATOM 0 HA VAL A 76 -5.402 -5.403 -36.179 1.00 0.26 H new ATOM 0 HB VAL A 76 -4.191 -4.421 -34.360 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.417 -5.597 -33.128 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -4.018 -6.328 -32.864 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.852 -7.109 -33.959 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.885 -4.468 -35.253 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -2.298 -5.905 -36.218 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -3.102 -4.352 -36.547 1.00 0.42 H new ATOM 1160 N THR A 77 -4.743 -7.372 -37.517 1.00 0.34 N ATOM 1161 CA THR A 77 -4.301 -8.478 -38.341 1.00 0.38 C ATOM 1162 C THR A 77 -2.797 -8.420 -38.545 1.00 0.44 C ATOM 1163 O THR A 77 -2.262 -7.413 -39.008 1.00 0.56 O ATOM 1164 CB THR A 77 -5.010 -8.490 -39.706 1.00 0.57 C ATOM 1165 OG1 THR A 77 -6.429 -8.450 -39.504 1.00 0.67 O ATOM 1166 CG2 THR A 77 -4.638 -9.744 -40.487 1.00 0.62 C ATOM 0 H THR A 77 -5.296 -6.669 -38.007 1.00 0.34 H new ATOM 0 HA THR A 77 -4.561 -9.398 -37.817 1.00 0.38 H new ATOM 0 HB THR A 77 -4.695 -7.617 -40.278 1.00 0.57 H new ATOM 0 HG1 THR A 77 -6.678 -9.089 -38.804 1.00 0.67 H new ATOM 0 HG21 THR A 77 -5.148 -9.737 -41.450 1.00 0.62 H new ATOM 0 HG22 THR A 77 -3.560 -9.767 -40.647 1.00 0.62 H new ATOM 0 HG23 THR A 77 -4.940 -10.627 -39.923 1.00 0.62 H new ATOM 1174 N ASN A 78 -2.117 -9.495 -38.183 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.682 -9.571 -38.351 1.00 0.57 C ATOM 1176 C ASN A 78 -0.349 -9.667 -39.828 1.00 0.66 C ATOM 1177 O ASN A 78 -0.611 -10.687 -40.453 1.00 0.70 O ATOM 1178 CB ASN A 78 -0.123 -10.791 -37.617 1.00 0.64 C ATOM 1179 CG ASN A 78 -0.020 -10.610 -36.110 1.00 1.10 C ATOM 1180 OD1 ASN A 78 -0.918 -9.827 -35.524 1.00 1.82 O flip ATOM 1181 ND2 ASN A 78 0.860 -11.186 -35.473 1.00 1.54 N flip ATOM 0 H ASN A 78 -2.540 -10.327 -37.771 1.00 0.44 H new ATOM 0 HA ASN A 78 -0.230 -8.672 -37.931 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.758 -11.652 -37.827 1.00 0.64 H new ATOM 0 HB3 ASN A 78 0.866 -11.020 -38.014 1.00 0.64 H new ATOM 0 HD21 ASN A 78 1.534 -11.780 -35.956 1.00 1.54 H new ATOM 0 HD22 ASN A 78 0.916 -11.070 -34.461 1.00 1.54 H new ATOM 1188 N GLN A 79 0.216 -8.609 -40.388 1.00 0.79 N ATOM 1189 CA GLN A 79 0.573 -8.600 -41.801 1.00 0.91 C ATOM 1190 C GLN A 79 1.658 -9.634 -42.107 1.00 0.94 C ATOM 1191 O GLN A 79 1.915 -9.952 -43.266 1.00 1.06 O ATOM 1192 CB GLN A 79 1.027 -7.205 -42.247 1.00 1.09 C ATOM 1193 CG GLN A 79 2.179 -6.628 -41.439 1.00 1.18 C ATOM 1194 CD GLN A 79 1.753 -6.048 -40.102 1.00 1.43 C ATOM 1195 OE1 GLN A 79 0.547 -5.502 -40.034 1.00 1.95 O flip ATOM 1196 NE2 GLN A 79 2.512 -6.079 -39.137 1.00 1.90 N flip ATOM 0 H GLN A 79 0.437 -7.747 -39.889 1.00 0.79 H new ATOM 0 HA GLN A 79 -0.321 -8.868 -42.364 1.00 0.91 H new ATOM 0 HB2 GLN A 79 1.322 -7.251 -43.295 1.00 1.09 H new ATOM 0 HB3 GLN A 79 0.179 -6.523 -42.184 1.00 1.09 H new ATOM 0 HG2 GLN A 79 2.919 -7.410 -41.267 1.00 1.18 H new ATOM 0 HG3 GLN A 79 2.668 -5.849 -42.024 1.00 1.18 H new ATOM 0 HE21 GLN A 79 3.433 -6.508 -39.226 1.00 1.90 H new ATOM 0 HE22 GLN A 79 2.221 -5.676 -38.246 1.00 1.90 H new ATOM 1205 N ARG A 80 2.286 -10.157 -41.062 1.00 0.93 N ATOM 1206 CA ARG A 80 3.305 -11.181 -41.218 1.00 1.03 C ATOM 1207 C ARG A 80 2.714 -12.586 -41.075 1.00 1.02 C ATOM 1208 O ARG A 80 3.133 -13.515 -41.761 1.00 1.21 O ATOM 1209 CB ARG A 80 4.410 -10.984 -40.178 1.00 1.18 C ATOM 1210 CG ARG A 80 5.578 -11.941 -40.347 1.00 1.35 C ATOM 1211 CD ARG A 80 6.394 -11.618 -41.590 1.00 1.67 C ATOM 1212 NE ARG A 80 7.079 -12.797 -42.118 1.00 2.41 N ATOM 1213 CZ ARG A 80 8.398 -12.958 -42.145 1.00 3.02 C ATOM 1214 NH1 ARG A 80 9.202 -12.057 -41.584 1.00 3.01 N ATOM 1215 NH2 ARG A 80 8.911 -14.043 -42.712 1.00 3.99 N ATOM 0 H ARG A 80 2.105 -9.886 -40.095 1.00 0.93 H new ATOM 0 HA ARG A 80 3.721 -11.085 -42.221 1.00 1.03 H new ATOM 0 HB2 ARG A 80 4.778 -9.960 -40.240 1.00 1.18 H new ATOM 0 HB3 ARG A 80 3.987 -11.111 -39.181 1.00 1.18 H new ATOM 0 HG2 ARG A 80 6.220 -11.891 -39.467 1.00 1.35 H new ATOM 0 HG3 ARG A 80 5.205 -12.963 -40.412 1.00 1.35 H new ATOM 0 HD2 ARG A 80 5.738 -11.206 -42.357 1.00 1.67 H new ATOM 0 HD3 ARG A 80 7.128 -10.849 -41.352 1.00 1.67 H new ATOM 0 HE ARG A 80 6.503 -13.551 -42.493 1.00 2.41 H new ATOM 0 HH11 ARG A 80 8.807 -11.234 -41.128 1.00 3.01 H new ATOM 0 HH12 ARG A 80 10.213 -12.189 -41.610 1.00 3.01 H new ATOM 0 HH21 ARG A 80 8.294 -14.744 -43.122 1.00 3.99 H new ATOM 0 HH22 ARG A 80 9.922 -14.175 -42.738 1.00 3.99 H new ATOM 1229 N ASN A 81 1.739 -12.735 -40.184 1.00 0.91 N ATOM 1230 CA ASN A 81 1.186 -14.057 -39.872 1.00 1.01 C ATOM 1231 C ASN A 81 -0.126 -14.319 -40.598 1.00 0.87 C ATOM 1232 O ASN A 81 -0.466 -15.463 -40.889 1.00 1.04 O ATOM 1233 CB ASN A 81 0.958 -14.205 -38.366 1.00 1.16 C ATOM 1234 CG ASN A 81 2.180 -14.714 -37.630 1.00 1.53 C ATOM 1235 OD1 ASN A 81 2.355 -15.920 -37.466 1.00 1.95 O ATOM 1236 ND2 ASN A 81 3.020 -13.803 -37.166 1.00 2.21 N ATOM 0 H ASN A 81 1.315 -11.965 -39.666 1.00 0.91 H new ATOM 0 HA ASN A 81 1.919 -14.788 -40.212 1.00 1.01 H new ATOM 0 HB2 ASN A 81 0.667 -13.240 -37.952 1.00 1.16 H new ATOM 0 HB3 ASN A 81 0.127 -14.889 -38.195 1.00 1.16 H new ATOM 0 HD21 ASN A 81 3.851 -14.091 -36.650 1.00 2.21 H new ATOM 0 HD22 ASN A 81 2.837 -12.812 -37.325 1.00 2.21 H new ATOM 1243 N GLY A 82 -0.863 -13.257 -40.867 1.00 0.68 N ATOM 1244 CA GLY A 82 -2.172 -13.385 -41.483 1.00 0.69 C ATOM 1245 C GLY A 82 -3.282 -13.445 -40.455 1.00 0.52 C ATOM 1246 O GLY A 82 -4.427 -13.106 -40.749 1.00 0.58 O ATOM 0 H GLY A 82 -0.579 -12.298 -40.669 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -2.342 -12.540 -42.151 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -2.197 -14.286 -42.096 1.00 0.69 H new ATOM 1250 N LYS A 83 -2.943 -13.871 -39.247 1.00 0.45 N ATOM 1251 CA LYS A 83 -3.906 -13.916 -38.158 1.00 0.39 C ATOM 1252 C LYS A 83 -3.800 -12.651 -37.333 1.00 0.35 C ATOM 1253 O LYS A 83 -2.754 -12.016 -37.303 1.00 0.49 O ATOM 1254 CB LYS A 83 -3.690 -15.140 -37.261 1.00 0.53 C ATOM 1255 CG LYS A 83 -2.276 -15.267 -36.721 1.00 0.64 C ATOM 1256 CD LYS A 83 -2.212 -16.222 -35.535 1.00 1.01 C ATOM 1257 CE LYS A 83 -0.791 -16.360 -34.997 1.00 1.61 C ATOM 1258 NZ LYS A 83 0.088 -17.142 -35.910 1.00 2.42 N ATOM 0 H LYS A 83 -2.007 -14.191 -38.997 1.00 0.45 H new ATOM 0 HA LYS A 83 -4.902 -13.994 -38.593 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -4.385 -15.091 -36.423 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -3.935 -16.040 -37.826 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.615 -15.623 -37.511 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -1.912 -14.285 -36.418 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -2.868 -15.862 -34.742 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -2.584 -17.201 -35.836 1.00 1.01 H new ATOM 0 HE2 LYS A 83 -0.364 -15.368 -34.847 1.00 1.61 H new ATOM 0 HE3 LYS A 83 -0.820 -16.845 -34.021 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 0.540 -17.914 -35.380 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 -0.482 -17.540 -36.684 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 0.821 -16.518 -36.305 1.00 2.42 H new ATOM 1272 N SER A 84 -4.870 -12.283 -36.671 1.00 0.31 N ATOM 1273 CA SER A 84 -4.880 -11.066 -35.893 1.00 0.25 C ATOM 1274 C SER A 84 -4.546 -11.356 -34.431 1.00 0.24 C ATOM 1275 O SER A 84 -4.290 -12.501 -34.057 1.00 0.30 O ATOM 1276 CB SER A 84 -6.245 -10.405 -36.007 1.00 0.27 C ATOM 1277 OG SER A 84 -6.739 -10.497 -37.338 1.00 1.08 O ATOM 0 H SER A 84 -5.745 -12.807 -36.655 1.00 0.31 H new ATOM 0 HA SER A 84 -4.119 -10.389 -36.282 1.00 0.25 H new ATOM 0 HB2 SER A 84 -6.944 -10.882 -35.321 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.173 -9.358 -35.712 1.00 0.27 H new ATOM 0 HG SER A 84 -7.618 -10.068 -37.391 1.00 1.08 H new ATOM 1283 N SER A 85 -4.541 -10.311 -33.617 1.00 0.20 N ATOM 1284 CA SER A 85 -4.281 -10.443 -32.194 1.00 0.20 C ATOM 1285 C SER A 85 -5.099 -9.406 -31.436 1.00 0.18 C ATOM 1286 O SER A 85 -5.350 -8.321 -31.956 1.00 0.26 O ATOM 1287 CB SER A 85 -2.787 -10.256 -31.903 1.00 0.25 C ATOM 1288 OG SER A 85 -1.996 -11.100 -32.727 1.00 0.87 O ATOM 0 H SER A 85 -4.716 -9.354 -33.923 1.00 0.20 H new ATOM 0 HA SER A 85 -4.569 -11.442 -31.867 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.508 -9.215 -32.069 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.587 -10.476 -30.854 1.00 0.25 H new ATOM 0 HG SER A 85 -1.847 -11.955 -32.272 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.534 -9.753 -30.231 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.301 -8.847 -29.405 1.00 0.12 C ATOM 1296 C ALA A 86 -5.377 -8.003 -28.545 1.00 0.13 C ATOM 1297 O ALA A 86 -4.623 -8.525 -27.730 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.276 -9.619 -28.528 1.00 0.13 C ATOM 0 H ALA A 86 -5.363 -10.665 -29.807 1.00 0.14 H new ATOM 0 HA ALA A 86 -6.871 -8.186 -30.058 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -7.844 -8.921 -27.914 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -7.960 -10.188 -29.158 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.723 -10.302 -27.883 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.430 -6.703 -28.744 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.674 -5.777 -27.921 1.00 0.17 C ATOM 1306 C CYS A 87 -5.637 -4.871 -27.172 1.00 0.17 C ATOM 1307 O CYS A 87 -6.724 -4.590 -27.671 1.00 0.21 O ATOM 1308 CB CYS A 87 -3.732 -4.943 -28.792 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.455 -5.915 -29.628 1.00 0.68 S ATOM 0 H CYS A 87 -5.991 -6.260 -29.472 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.074 -6.337 -27.204 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.320 -4.412 -29.541 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.251 -4.188 -28.170 1.00 0.22 H new ATOM 0 HG CYS A 87 -1.708 -5.127 -30.343 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.244 -4.435 -25.977 1.00 0.17 N ATOM 1316 CA ASN A 88 -6.111 -3.618 -25.130 1.00 0.20 C ATOM 1317 C ASN A 88 -7.370 -4.408 -24.775 1.00 0.18 C ATOM 1318 O ASN A 88 -8.466 -4.113 -25.244 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.473 -2.293 -25.830 1.00 0.27 C ATOM 1320 CG ASN A 88 -5.254 -1.440 -26.141 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -4.558 -1.671 -27.133 1.00 1.82 O ATOM 1322 ND2 ASN A 88 -5.007 -0.425 -25.331 1.00 1.60 N ATOM 0 H ASN A 88 -4.329 -4.634 -25.573 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.578 -3.370 -24.212 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -7.005 -2.510 -26.756 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -7.155 -1.727 -25.196 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -4.220 0.197 -25.518 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -5.603 -0.263 -24.519 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.178 -5.454 -23.976 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.260 -6.335 -23.568 1.00 0.15 C ATOM 1331 C VAL A 89 -8.904 -5.838 -22.283 1.00 0.19 C ATOM 1332 O VAL A 89 -8.296 -5.859 -21.215 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.760 -7.783 -23.370 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -8.888 -8.684 -22.887 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.168 -8.319 -24.665 1.00 0.14 C ATOM 0 H VAL A 89 -6.268 -5.712 -23.595 1.00 0.14 H new ATOM 0 HA VAL A 89 -9.003 -6.330 -24.366 1.00 0.15 H new ATOM 0 HB VAL A 89 -6.982 -7.775 -22.607 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.512 -9.699 -22.755 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.269 -8.312 -21.936 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.691 -8.688 -23.624 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -6.820 -9.340 -24.511 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -7.930 -8.309 -25.445 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.330 -7.692 -24.969 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.135 -5.391 -22.401 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.859 -4.834 -21.278 1.00 0.16 C ATOM 1347 C LEU A 90 -11.939 -5.784 -20.807 1.00 0.11 C ATOM 1348 O LEU A 90 -12.530 -6.510 -21.600 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.508 -3.496 -21.664 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.599 -2.257 -21.702 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -10.026 -1.962 -20.331 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -9.487 -2.427 -22.716 1.00 1.12 C ATOM 0 H LEU A 90 -10.661 -5.403 -23.275 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.143 -4.675 -20.472 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.961 -3.612 -22.649 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.318 -3.299 -20.962 1.00 0.26 H new ATOM 0 HG LEU A 90 -11.211 -1.408 -22.007 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -9.387 -1.081 -20.386 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -10.839 -1.777 -19.629 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -9.439 -2.815 -19.991 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -8.860 -1.535 -22.721 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -8.882 -3.294 -22.451 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -9.917 -2.574 -23.707 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.194 -5.766 -19.510 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.260 -6.565 -18.938 1.00 0.18 C ATOM 1366 C LYS A 91 -14.588 -5.845 -19.083 1.00 0.18 C ATOM 1367 O LYS A 91 -14.809 -4.792 -18.491 1.00 0.32 O ATOM 1368 CB LYS A 91 -12.984 -6.870 -17.468 1.00 0.27 C ATOM 1369 CG LYS A 91 -12.637 -8.324 -17.208 1.00 0.45 C ATOM 1370 CD LYS A 91 -13.803 -9.234 -17.558 1.00 0.59 C ATOM 1371 CE LYS A 91 -14.915 -9.137 -16.527 1.00 0.71 C ATOM 1372 NZ LYS A 91 -14.646 -10.002 -15.344 1.00 1.33 N ATOM 0 H LYS A 91 -11.676 -5.205 -18.834 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.307 -7.510 -19.479 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.164 -6.241 -17.122 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -13.861 -6.603 -16.878 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -11.763 -8.604 -17.797 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -12.370 -8.456 -16.159 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -14.192 -8.967 -18.540 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -13.455 -10.265 -17.623 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.022 -8.102 -16.204 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -15.861 -9.428 -16.983 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -15.449 -9.949 -14.685 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -14.518 -10.986 -15.655 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -13.783 -9.675 -14.864 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.465 -6.425 -19.875 1.00 0.16 N ATOM 1387 CA ILE A 92 -16.738 -5.809 -20.178 1.00 0.18 C ATOM 1388 C ILE A 92 -17.858 -6.430 -19.355 1.00 0.27 C ATOM 1389 O ILE A 92 -17.938 -7.648 -19.204 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.061 -5.920 -21.689 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -16.058 -5.097 -22.508 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.490 -5.475 -21.982 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -16.106 -3.621 -22.205 1.00 0.16 C ATOM 0 H ILE A 92 -15.317 -7.329 -20.323 1.00 0.16 H new ATOM 0 HA ILE A 92 -16.663 -4.754 -19.915 1.00 0.18 H new ATOM 0 HB ILE A 92 -16.974 -6.967 -21.979 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -15.051 -5.468 -22.314 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.255 -5.249 -23.569 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.687 -5.564 -23.050 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.188 -6.105 -21.430 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.618 -4.437 -21.675 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.372 -3.099 -22.819 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -17.102 -3.237 -22.425 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -15.879 -3.458 -21.151 1.00 0.16 H new ATOM 1405 N ASN A 93 -18.707 -5.576 -18.809 1.00 0.45 N ATOM 1406 CA ASN A 93 -19.838 -6.020 -18.013 1.00 0.65 C ATOM 1407 C ASN A 93 -20.886 -6.666 -18.904 1.00 0.72 C ATOM 1408 O ASN A 93 -21.457 -6.015 -19.780 1.00 0.80 O ATOM 1409 CB ASN A 93 -20.448 -4.842 -17.254 1.00 0.84 C ATOM 1410 CG ASN A 93 -19.488 -4.245 -16.244 1.00 1.79 C ATOM 1411 OD1 ASN A 93 -18.662 -4.950 -15.662 1.00 2.50 O ATOM 1412 ND2 ASN A 93 -19.574 -2.941 -16.042 1.00 2.57 N ATOM 0 H ASN A 93 -18.633 -4.563 -18.904 1.00 0.45 H new ATOM 0 HA ASN A 93 -19.487 -6.757 -17.291 1.00 0.65 H new ATOM 0 HB2 ASN A 93 -20.748 -4.072 -17.965 1.00 0.84 H new ATOM 0 HB3 ASN A 93 -21.351 -5.172 -16.741 1.00 0.84 H new ATOM 0 HD21 ASN A 93 -18.942 -2.484 -15.384 1.00 2.57 H new ATOM 0 HD22 ASN A 93 -20.272 -2.392 -16.544 1.00 2.57 H new ATOM 1419 N ASP A 94 -21.102 -7.955 -18.698 1.00 0.91 N ATOM 1420 CA ASP A 94 -22.100 -8.705 -19.451 1.00 1.18 C ATOM 1421 C ASP A 94 -23.511 -8.259 -19.086 1.00 1.71 C ATOM 1422 O ASP A 94 -24.032 -7.295 -19.655 1.00 2.21 O ATOM 1423 CB ASP A 94 -21.938 -10.204 -19.189 1.00 1.74 C ATOM 1424 CG ASP A 94 -23.094 -11.022 -19.728 1.00 2.42 C ATOM 1425 OD1 ASP A 94 -23.281 -11.057 -20.960 1.00 3.08 O ATOM 1426 OD2 ASP A 94 -23.809 -11.649 -18.921 1.00 2.81 O ATOM 0 H ASP A 94 -20.595 -8.510 -18.009 1.00 0.91 H new ATOM 0 HA ASP A 94 -21.945 -8.508 -20.512 1.00 1.18 H new ATOM 0 HB2 ASP A 94 -21.010 -10.550 -19.645 1.00 1.74 H new ATOM 0 HB3 ASP A 94 -21.848 -10.373 -18.116 1.00 1.74 H new TER 1431 ASP A 94