USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 669 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 110 THR OG1 : rot 180:sc= 0.591 USER MOD Set 1.2: A 113 GLN : amide:sc= 0.647 K(o=1.2,f=-0.044) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -110:sc= 1.23 (180deg=-0.139) USER MOD Single : A 45 SER OG : rot -43:sc= 1.14 USER MOD Single : A 53 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.5!) USER MOD Single : A 55 SER OG : rot -130:sc= 0.039 USER MOD Single : A 58 HIS :FLIP no HD1:sc= -0.0343 F(o=-0.71,f=-0.034) USER MOD Single : A 64 SER OG : rot 96:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -2.95! C(o=-3!,f=-2.5!) USER MOD Single : A 74 SER OG : rot -170:sc= 0.112 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 86 HIS : no HE2:sc= -0.693 X(o=-0.69,f=-0.37) USER MOD Single : A 90 HIS : no HE2:sc= -0.934 K(o=-0.93,f=-4.6!) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.117 K(o=-0.12,f=-2.9!) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot 71:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 31 -1.871 12.196 7.801 1.00 1.55 N ATOM 2 CA PRO A 31 -1.219 11.650 6.615 1.00 1.52 C ATOM 3 C PRO A 31 -2.028 10.576 5.874 1.00 1.52 C ATOM 4 O PRO A 31 -2.701 9.738 6.491 1.00 1.55 O ATOM 5 CB PRO A 31 0.069 11.026 7.155 1.00 1.64 C ATOM 6 CG PRO A 31 0.439 11.945 8.313 1.00 1.73 C ATOM 7 CD PRO A 31 -0.936 12.196 8.923 1.00 1.60 C ATOM 0 HA PRO A 31 -1.077 12.441 5.878 1.00 1.52 H new ATOM 0 HB2 PRO A 31 -0.089 10.000 7.489 1.00 1.64 H new ATOM 0 HB3 PRO A 31 0.852 10.997 6.397 1.00 1.64 H new ATOM 0 HG2 PRO A 31 1.123 11.470 9.016 1.00 1.73 H new ATOM 0 HG3 PRO A 31 0.916 12.865 7.975 1.00 1.73 H new ATOM 0 HD2 PRO A 31 -1.191 11.421 9.646 1.00 1.60 H new ATOM 0 HD3 PRO A 31 -0.961 13.148 9.454 1.00 1.60 H new ATOM 15 N VAL A 32 -1.848 10.515 4.551 1.00 1.50 N ATOM 16 CA VAL A 32 -2.394 9.439 3.692 1.00 1.44 C ATOM 17 C VAL A 32 -1.871 8.050 4.072 1.00 1.25 C ATOM 18 O VAL A 32 -2.510 7.035 3.802 1.00 1.19 O ATOM 19 CB VAL A 32 -2.099 9.687 2.198 1.00 1.52 C ATOM 20 CG1 VAL A 32 -2.833 10.931 1.699 1.00 2.78 C ATOM 21 CG2 VAL A 32 -0.605 9.841 1.873 1.00 1.55 C ATOM 0 H VAL A 32 -1.315 11.214 4.033 1.00 1.50 H new ATOM 0 HA VAL A 32 -3.471 9.462 3.860 1.00 1.44 H new ATOM 0 HB VAL A 32 -2.456 8.793 1.687 1.00 1.52 H new ATOM 0 HG11 VAL A 32 -2.610 11.086 0.643 1.00 2.78 H new ATOM 0 HG12 VAL A 32 -3.907 10.796 1.827 1.00 2.78 H new ATOM 0 HG13 VAL A 32 -2.506 11.800 2.270 1.00 2.78 H new ATOM 0 HG21 VAL A 32 -0.481 10.012 0.804 1.00 1.55 H new ATOM 0 HG22 VAL A 32 -0.198 10.688 2.426 1.00 1.55 H new ATOM 0 HG23 VAL A 32 -0.075 8.932 2.159 1.00 1.55 H new ATOM 31 N GLU A 33 -0.720 7.992 4.742 1.00 1.18 N ATOM 32 CA GLU A 33 -0.076 6.748 5.154 1.00 1.04 C ATOM 33 C GLU A 33 -0.783 6.159 6.384 1.00 1.03 C ATOM 34 O GLU A 33 -1.037 4.959 6.443 1.00 0.94 O ATOM 35 CB GLU A 33 1.433 7.019 5.317 1.00 1.07 C ATOM 36 CG GLU A 33 1.882 7.647 6.632 1.00 1.27 C ATOM 37 CD GLU A 33 3.225 8.381 6.513 1.00 1.53 C ATOM 38 OE1 GLU A 33 4.281 7.761 6.797 1.00 1.74 O ATOM 39 OE2 GLU A 33 3.237 9.590 6.171 1.00 2.92 O ATOM 0 H GLU A 33 -0.200 8.825 5.018 1.00 1.18 H new ATOM 0 HA GLU A 33 -0.170 5.968 4.398 1.00 1.04 H new ATOM 0 HB2 GLU A 33 1.963 6.074 5.194 1.00 1.07 H new ATOM 0 HB3 GLU A 33 1.751 7.671 4.503 1.00 1.07 H new ATOM 0 HG2 GLU A 33 1.120 8.347 6.974 1.00 1.27 H new ATOM 0 HG3 GLU A 33 1.964 6.869 7.391 1.00 1.27 H new ATOM 46 N ALA A 34 -1.227 7.036 7.288 1.00 1.19 N ATOM 47 CA ALA A 34 -2.095 6.726 8.420 1.00 1.24 C ATOM 48 C ALA A 34 -3.522 6.365 7.978 1.00 1.24 C ATOM 49 O ALA A 34 -4.073 5.364 8.451 1.00 1.18 O ATOM 50 CB ALA A 34 -2.001 7.885 9.409 1.00 1.42 C ATOM 0 H ALA A 34 -0.979 8.024 7.246 1.00 1.19 H new ATOM 0 HA ALA A 34 -1.761 5.822 8.929 1.00 1.24 H new ATOM 0 HB1 ALA A 34 -2.640 7.683 10.268 1.00 1.42 H new ATOM 0 HB2 ALA A 34 -0.969 7.996 9.742 1.00 1.42 H new ATOM 0 HB3 ALA A 34 -2.326 8.805 8.923 1.00 1.42 H new ATOM 56 N ALA A 35 -4.079 7.101 7.006 1.00 1.34 N ATOM 57 CA ALA A 35 -5.346 6.727 6.370 1.00 1.40 C ATOM 58 C ALA A 35 -5.288 5.302 5.784 1.00 1.22 C ATOM 59 O ALA A 35 -6.211 4.502 5.981 1.00 1.30 O ATOM 60 CB ALA A 35 -5.689 7.764 5.293 1.00 1.60 C ATOM 0 H ALA A 35 -3.669 7.962 6.643 1.00 1.34 H new ATOM 0 HA ALA A 35 -6.134 6.719 7.123 1.00 1.40 H new ATOM 0 HB1 ALA A 35 -6.630 7.494 4.814 1.00 1.60 H new ATOM 0 HB2 ALA A 35 -5.785 8.748 5.753 1.00 1.60 H new ATOM 0 HB3 ALA A 35 -4.896 7.788 4.546 1.00 1.60 H new ATOM 66 N ILE A 36 -4.176 4.949 5.123 1.00 1.04 N ATOM 67 CA ILE A 36 -3.926 3.570 4.689 1.00 0.94 C ATOM 68 C ILE A 36 -3.829 2.597 5.864 1.00 0.81 C ATOM 69 O ILE A 36 -4.538 1.597 5.816 1.00 0.84 O ATOM 70 CB ILE A 36 -2.725 3.474 3.724 1.00 1.02 C ATOM 71 CG1 ILE A 36 -3.242 3.856 2.324 1.00 1.27 C ATOM 72 CG2 ILE A 36 -2.037 2.091 3.711 1.00 2.07 C ATOM 73 CD1 ILE A 36 -2.146 3.921 1.262 1.00 1.31 C ATOM 0 H ILE A 36 -3.434 5.604 4.877 1.00 1.04 H new ATOM 0 HA ILE A 36 -4.799 3.256 4.117 1.00 0.94 H new ATOM 0 HB ILE A 36 -1.946 4.156 4.064 1.00 1.02 H new ATOM 0 HG12 ILE A 36 -3.994 3.131 2.014 1.00 1.27 H new ATOM 0 HG13 ILE A 36 -3.738 4.825 2.381 1.00 1.27 H new ATOM 0 HG21 ILE A 36 -1.204 2.106 3.008 1.00 2.07 H new ATOM 0 HG22 ILE A 36 -1.666 1.860 4.709 1.00 2.07 H new ATOM 0 HG23 ILE A 36 -2.755 1.330 3.406 1.00 2.07 H new ATOM 0 HD11 ILE A 36 -2.585 4.195 0.303 1.00 1.31 H new ATOM 0 HD12 ILE A 36 -1.405 4.667 1.549 1.00 1.31 H new ATOM 0 HD13 ILE A 36 -1.665 2.947 1.175 1.00 1.31 H new ATOM 85 N ARG A 37 -3.014 2.850 6.901 1.00 0.77 N ATOM 86 CA ARG A 37 -2.898 1.922 8.051 1.00 0.75 C ATOM 87 C ARG A 37 -4.282 1.554 8.595 1.00 0.76 C ATOM 88 O ARG A 37 -4.673 0.385 8.556 1.00 0.74 O ATOM 89 CB ARG A 37 -2.020 2.471 9.195 1.00 0.84 C ATOM 90 CG ARG A 37 -0.554 2.764 8.835 1.00 1.48 C ATOM 91 CD ARG A 37 0.359 2.545 10.049 1.00 2.13 C ATOM 92 NE ARG A 37 1.773 2.839 9.756 1.00 3.22 N ATOM 93 CZ ARG A 37 2.362 4.022 9.736 1.00 4.49 C ATOM 94 NH1 ARG A 37 1.759 5.146 9.979 1.00 5.15 N ATOM 95 NH2 ARG A 37 3.622 4.098 9.440 1.00 5.64 N ATOM 0 H ARG A 37 -2.427 3.681 6.972 1.00 0.77 H new ATOM 0 HA ARG A 37 -2.402 1.031 7.666 1.00 0.75 H new ATOM 0 HB2 ARG A 37 -2.473 3.390 9.566 1.00 0.84 H new ATOM 0 HB3 ARG A 37 -2.036 1.754 10.016 1.00 0.84 H new ATOM 0 HG2 ARG A 37 -0.239 2.117 8.016 1.00 1.48 H new ATOM 0 HG3 ARG A 37 -0.459 3.791 8.484 1.00 1.48 H new ATOM 0 HD2 ARG A 37 0.023 3.178 10.870 1.00 2.13 H new ATOM 0 HD3 ARG A 37 0.269 1.512 10.385 1.00 2.13 H new ATOM 0 HE ARG A 37 2.366 2.036 9.544 1.00 3.22 H new ATOM 0 HH11 ARG A 37 0.764 5.153 10.204 1.00 5.15 H new ATOM 0 HH12 ARG A 37 2.280 6.022 9.945 1.00 5.15 H new ATOM 0 HH21 ARG A 37 4.148 3.250 9.226 1.00 5.64 H new ATOM 0 HH22 ARG A 37 4.088 5.005 9.421 1.00 5.64 H new ATOM 109 N THR A 38 -5.065 2.559 8.996 1.00 0.84 N ATOM 110 CA THR A 38 -6.394 2.327 9.579 1.00 0.91 C ATOM 111 C THR A 38 -7.334 1.618 8.589 1.00 0.92 C ATOM 112 O THR A 38 -7.887 0.561 8.924 1.00 0.93 O ATOM 113 CB THR A 38 -6.996 3.639 10.118 1.00 1.10 C ATOM 114 OG1 THR A 38 -6.118 4.221 11.062 1.00 1.20 O ATOM 115 CG2 THR A 38 -8.320 3.429 10.851 1.00 1.30 C ATOM 0 H THR A 38 -4.804 3.543 8.929 1.00 0.84 H new ATOM 0 HA THR A 38 -6.274 1.653 10.427 1.00 0.91 H new ATOM 0 HB THR A 38 -7.155 4.272 9.245 1.00 1.10 H new ATOM 0 HG1 THR A 38 -6.506 5.055 11.399 1.00 1.20 H new ATOM 0 HG21 THR A 38 -8.695 4.389 11.207 1.00 1.30 H new ATOM 0 HG22 THR A 38 -9.047 2.986 10.170 1.00 1.30 H new ATOM 0 HG23 THR A 38 -8.164 2.762 11.699 1.00 1.30 H new ATOM 123 N LYS A 39 -7.480 2.128 7.350 1.00 0.98 N ATOM 124 CA LYS A 39 -8.458 1.572 6.398 1.00 1.09 C ATOM 125 C LYS A 39 -8.076 0.186 5.874 1.00 0.98 C ATOM 126 O LYS A 39 -8.959 -0.659 5.754 1.00 1.08 O ATOM 127 CB LYS A 39 -8.719 2.581 5.265 1.00 1.26 C ATOM 128 CG LYS A 39 -9.837 2.185 4.280 1.00 2.25 C ATOM 129 CD LYS A 39 -11.228 1.996 4.924 1.00 3.27 C ATOM 130 CE LYS A 39 -11.762 0.563 4.761 1.00 4.71 C ATOM 131 NZ LYS A 39 -12.362 0.333 3.427 1.00 5.26 N ATOM 0 H LYS A 39 -6.940 2.914 6.989 1.00 0.98 H new ATOM 0 HA LYS A 39 -9.390 1.413 6.940 1.00 1.09 H new ATOM 0 HB2 LYS A 39 -8.971 3.544 5.709 1.00 1.26 H new ATOM 0 HB3 LYS A 39 -7.795 2.721 4.704 1.00 1.26 H new ATOM 0 HG2 LYS A 39 -9.910 2.951 3.508 1.00 2.25 H new ATOM 0 HG3 LYS A 39 -9.553 1.257 3.783 1.00 2.25 H new ATOM 0 HD2 LYS A 39 -11.170 2.240 5.985 1.00 3.27 H new ATOM 0 HD3 LYS A 39 -11.932 2.696 4.474 1.00 3.27 H new ATOM 0 HE2 LYS A 39 -10.948 -0.145 4.917 1.00 4.71 H new ATOM 0 HE3 LYS A 39 -12.508 0.366 5.531 1.00 4.71 H new ATOM 0 HZ1 LYS A 39 -13.393 0.232 3.523 1.00 5.26 H new ATOM 0 HZ2 LYS A 39 -12.150 1.140 2.807 1.00 5.26 H new ATOM 0 HZ3 LYS A 39 -11.966 -0.535 3.013 1.00 5.26 H new ATOM 145 N LEU A 40 -6.802 -0.100 5.589 1.00 0.86 N ATOM 146 CA LEU A 40 -6.375 -1.429 5.145 1.00 0.82 C ATOM 147 C LEU A 40 -6.411 -2.450 6.296 1.00 0.79 C ATOM 148 O LEU A 40 -6.737 -3.618 6.054 1.00 0.83 O ATOM 149 CB LEU A 40 -4.989 -1.347 4.479 1.00 0.81 C ATOM 150 CG LEU A 40 -4.939 -0.780 3.042 1.00 0.81 C ATOM 151 CD1 LEU A 40 -5.497 -1.774 2.022 1.00 0.97 C ATOM 152 CD2 LEU A 40 -5.637 0.558 2.796 1.00 1.10 C ATOM 0 H LEU A 40 -6.043 0.578 5.659 1.00 0.86 H new ATOM 0 HA LEU A 40 -7.082 -1.788 4.397 1.00 0.82 H new ATOM 0 HB2 LEU A 40 -4.345 -0.733 5.109 1.00 0.81 H new ATOM 0 HB3 LEU A 40 -4.559 -2.349 4.464 1.00 0.81 H new ATOM 0 HG LEU A 40 -3.871 -0.603 2.914 1.00 0.81 H new ATOM 0 HD11 LEU A 40 -5.445 -1.339 1.024 1.00 0.97 H new ATOM 0 HD12 LEU A 40 -4.909 -2.692 2.049 1.00 0.97 H new ATOM 0 HD13 LEU A 40 -6.535 -2.001 2.265 1.00 0.97 H new ATOM 0 HD21 LEU A 40 -5.526 0.839 1.749 1.00 1.10 H new ATOM 0 HD22 LEU A 40 -6.696 0.465 3.036 1.00 1.10 H new ATOM 0 HD23 LEU A 40 -5.188 1.324 3.427 1.00 1.10 H new ATOM 164 N GLU A 41 -6.163 -2.032 7.544 1.00 0.76 N ATOM 165 CA GLU A 41 -6.356 -2.910 8.707 1.00 0.84 C ATOM 166 C GLU A 41 -7.834 -3.229 8.985 1.00 0.96 C ATOM 167 O GLU A 41 -8.142 -4.367 9.353 1.00 1.09 O ATOM 168 CB GLU A 41 -5.556 -2.397 9.918 1.00 1.05 C ATOM 169 CG GLU A 41 -4.050 -2.582 9.639 1.00 1.70 C ATOM 170 CD GLU A 41 -3.133 -2.039 10.730 1.00 2.33 C ATOM 171 OE1 GLU A 41 -3.160 -2.606 11.844 1.00 2.53 O ATOM 172 OE2 GLU A 41 -2.257 -1.198 10.441 1.00 3.64 O ATOM 0 H GLU A 41 -5.830 -1.096 7.774 1.00 0.76 H new ATOM 0 HA GLU A 41 -5.936 -3.887 8.469 1.00 0.84 H new ATOM 0 HB2 GLU A 41 -5.779 -1.346 10.099 1.00 1.05 H new ATOM 0 HB3 GLU A 41 -5.842 -2.943 10.817 1.00 1.05 H new ATOM 0 HG2 GLU A 41 -3.846 -3.644 9.506 1.00 1.70 H new ATOM 0 HG3 GLU A 41 -3.805 -2.090 8.698 1.00 1.70 H new ATOM 179 N GLU A 42 -8.764 -2.320 8.663 1.00 1.03 N ATOM 180 CA GLU A 42 -10.188 -2.641 8.514 1.00 1.22 C ATOM 181 C GLU A 42 -10.470 -3.614 7.340 1.00 1.35 C ATOM 182 O GLU A 42 -11.170 -4.616 7.514 1.00 1.69 O ATOM 183 CB GLU A 42 -10.949 -1.304 8.349 1.00 1.33 C ATOM 184 CG GLU A 42 -12.185 -1.174 9.243 1.00 2.03 C ATOM 185 CD GLU A 42 -13.481 -1.671 8.591 1.00 3.03 C ATOM 186 OE1 GLU A 42 -13.848 -2.859 8.748 1.00 4.82 O ATOM 187 OE2 GLU A 42 -14.214 -0.847 7.988 1.00 3.03 O ATOM 0 H GLU A 42 -8.548 -1.337 8.498 1.00 1.03 H new ATOM 0 HA GLU A 42 -10.534 -3.171 9.401 1.00 1.22 H new ATOM 0 HB2 GLU A 42 -10.268 -0.481 8.567 1.00 1.33 H new ATOM 0 HB3 GLU A 42 -11.254 -1.198 7.308 1.00 1.33 H new ATOM 0 HG2 GLU A 42 -12.016 -1.733 10.163 1.00 2.03 H new ATOM 0 HG3 GLU A 42 -12.309 -0.128 9.524 1.00 2.03 H new ATOM 194 N ALA A 43 -9.909 -3.347 6.153 1.00 1.14 N ATOM 195 CA ALA A 43 -10.303 -3.967 4.880 1.00 1.15 C ATOM 196 C ALA A 43 -9.848 -5.425 4.675 1.00 1.12 C ATOM 197 O ALA A 43 -10.628 -6.243 4.170 1.00 1.25 O ATOM 198 CB ALA A 43 -9.754 -3.103 3.738 1.00 1.11 C ATOM 0 H ALA A 43 -9.148 -2.676 6.049 1.00 1.14 H new ATOM 0 HA ALA A 43 -11.392 -4.013 4.894 1.00 1.15 H new ATOM 0 HB1 ALA A 43 -10.034 -3.544 2.781 1.00 1.11 H new ATOM 0 HB2 ALA A 43 -10.170 -2.098 3.810 1.00 1.11 H new ATOM 0 HB3 ALA A 43 -8.668 -3.052 3.810 1.00 1.11 H new ATOM 204 N LEU A 44 -8.587 -5.742 4.995 1.00 1.00 N ATOM 205 CA LEU A 44 -8.016 -7.100 4.912 1.00 1.08 C ATOM 206 C LEU A 44 -7.252 -7.560 6.163 1.00 1.04 C ATOM 207 O LEU A 44 -6.927 -8.743 6.279 1.00 1.28 O ATOM 208 CB LEU A 44 -7.180 -7.274 3.646 1.00 1.17 C ATOM 209 CG LEU A 44 -5.996 -6.302 3.517 1.00 0.99 C ATOM 210 CD1 LEU A 44 -4.647 -7.012 3.615 1.00 0.89 C ATOM 211 CD2 LEU A 44 -6.131 -5.618 2.167 1.00 1.38 C ATOM 0 H LEU A 44 -7.917 -5.048 5.327 1.00 1.00 H new ATOM 0 HA LEU A 44 -8.878 -7.765 4.858 1.00 1.08 H new ATOM 0 HB2 LEU A 44 -6.799 -8.295 3.617 1.00 1.17 H new ATOM 0 HB3 LEU A 44 -7.829 -7.151 2.779 1.00 1.17 H new ATOM 0 HG LEU A 44 -6.023 -5.585 4.338 1.00 0.99 H new ATOM 0 HD11 LEU A 44 -3.844 -6.282 3.518 1.00 0.89 H new ATOM 0 HD12 LEU A 44 -4.568 -7.512 4.580 1.00 0.89 H new ATOM 0 HD13 LEU A 44 -4.565 -7.750 2.817 1.00 0.89 H new ATOM 0 HD21 LEU A 44 -5.309 -4.916 2.031 1.00 1.38 H new ATOM 0 HD22 LEU A 44 -6.103 -6.367 1.375 1.00 1.38 H new ATOM 0 HD23 LEU A 44 -7.078 -5.080 2.125 1.00 1.38 H new ATOM 223 N SER A 45 -6.973 -6.649 7.102 1.00 0.95 N ATOM 224 CA SER A 45 -6.337 -6.981 8.390 1.00 1.04 C ATOM 225 C SER A 45 -4.944 -7.645 8.194 1.00 0.94 C ATOM 226 O SER A 45 -4.790 -8.836 8.468 1.00 1.16 O ATOM 227 CB SER A 45 -7.336 -7.764 9.246 1.00 1.36 C ATOM 228 OG SER A 45 -8.600 -7.108 9.153 1.00 2.02 O ATOM 0 H SER A 45 -7.181 -5.656 6.993 1.00 0.95 H new ATOM 0 HA SER A 45 -6.098 -6.076 8.949 1.00 1.04 H new ATOM 0 HB2 SER A 45 -7.414 -8.794 8.897 1.00 1.36 H new ATOM 0 HB3 SER A 45 -7.002 -7.804 10.283 1.00 1.36 H new ATOM 0 HG SER A 45 -8.471 -6.139 9.222 1.00 2.02 H new ATOM 234 N PRO A 46 -3.945 -6.906 7.651 1.00 0.77 N ATOM 235 CA PRO A 46 -2.556 -7.329 7.409 1.00 0.68 C ATOM 236 C PRO A 46 -1.840 -8.163 8.479 1.00 0.75 C ATOM 237 O PRO A 46 -2.219 -8.167 9.648 1.00 0.95 O ATOM 238 CB PRO A 46 -1.782 -6.014 7.322 1.00 0.73 C ATOM 239 CG PRO A 46 -2.746 -5.047 6.667 1.00 0.86 C ATOM 240 CD PRO A 46 -4.091 -5.524 7.207 1.00 0.87 C ATOM 0 HA PRO A 46 -2.588 -7.983 6.538 1.00 0.68 H new ATOM 0 HB2 PRO A 46 -1.480 -5.665 8.310 1.00 0.73 H new ATOM 0 HB3 PRO A 46 -0.872 -6.128 6.732 1.00 0.73 H new ATOM 0 HG2 PRO A 46 -2.538 -4.014 6.944 1.00 0.86 H new ATOM 0 HG3 PRO A 46 -2.701 -5.100 5.579 1.00 0.86 H new ATOM 0 HD2 PRO A 46 -4.413 -4.892 8.034 1.00 0.87 H new ATOM 0 HD3 PRO A 46 -4.857 -5.453 6.435 1.00 0.87 H new ATOM 248 N GLU A 47 -0.707 -8.758 8.095 1.00 0.70 N ATOM 249 CA GLU A 47 0.391 -9.081 8.994 1.00 0.73 C ATOM 250 C GLU A 47 1.459 -7.999 9.093 1.00 0.78 C ATOM 251 O GLU A 47 2.013 -7.818 10.178 1.00 0.95 O ATOM 252 CB GLU A 47 1.027 -10.396 8.560 1.00 0.71 C ATOM 253 CG GLU A 47 1.322 -11.268 9.764 1.00 0.79 C ATOM 254 CD GLU A 47 0.037 -11.891 10.322 1.00 1.20 C ATOM 255 OE1 GLU A 47 -0.607 -11.270 11.205 1.00 2.11 O ATOM 256 OE2 GLU A 47 -0.385 -12.968 9.835 1.00 2.06 O ATOM 0 H GLU A 47 -0.529 -9.032 7.129 1.00 0.70 H new ATOM 0 HA GLU A 47 -0.042 -9.163 9.991 1.00 0.73 H new ATOM 0 HB2 GLU A 47 0.359 -10.922 7.878 1.00 0.71 H new ATOM 0 HB3 GLU A 47 1.949 -10.198 8.013 1.00 0.71 H new ATOM 0 HG2 GLU A 47 2.020 -12.057 9.483 1.00 0.79 H new ATOM 0 HG3 GLU A 47 1.807 -10.673 10.538 1.00 0.79 H new ATOM 263 N VAL A 48 1.731 -7.257 8.012 1.00 0.66 N ATOM 264 CA VAL A 48 2.483 -6.008 8.126 1.00 0.63 C ATOM 265 C VAL A 48 1.899 -4.927 7.243 1.00 0.79 C ATOM 266 O VAL A 48 1.312 -5.209 6.191 1.00 1.24 O ATOM 267 CB VAL A 48 3.951 -6.158 7.706 1.00 1.09 C ATOM 268 CG1 VAL A 48 4.792 -7.142 8.476 1.00 0.72 C ATOM 269 CG2 VAL A 48 4.103 -6.543 6.256 1.00 2.34 C ATOM 0 H VAL A 48 1.445 -7.498 7.063 1.00 0.66 H new ATOM 0 HA VAL A 48 2.419 -5.740 9.181 1.00 0.63 H new ATOM 0 HB VAL A 48 4.319 -5.155 7.924 1.00 1.09 H new ATOM 0 HG11 VAL A 48 5.805 -7.147 8.075 1.00 0.72 H new ATOM 0 HG12 VAL A 48 4.819 -6.854 9.527 1.00 0.72 H new ATOM 0 HG13 VAL A 48 4.361 -8.139 8.384 1.00 0.72 H new ATOM 0 HG21 VAL A 48 5.162 -6.635 6.013 1.00 2.34 H new ATOM 0 HG22 VAL A 48 3.605 -7.496 6.079 1.00 2.34 H new ATOM 0 HG23 VAL A 48 3.652 -5.776 5.627 1.00 2.34 H new ATOM 279 N LEU A 49 2.244 -3.688 7.581 1.00 0.75 N ATOM 280 CA LEU A 49 2.591 -2.763 6.514 1.00 0.66 C ATOM 281 C LEU A 49 3.674 -1.754 6.911 1.00 0.77 C ATOM 282 O LEU A 49 3.520 -0.946 7.828 1.00 1.24 O ATOM 283 CB LEU A 49 1.356 -2.135 5.827 1.00 1.31 C ATOM 284 CG LEU A 49 0.090 -1.896 6.676 1.00 1.00 C ATOM 285 CD1 LEU A 49 0.262 -0.766 7.686 1.00 1.52 C ATOM 286 CD2 LEU A 49 -1.073 -1.568 5.739 1.00 1.45 C ATOM 0 H LEU A 49 2.290 -3.318 8.530 1.00 0.75 H new ATOM 0 HA LEU A 49 3.059 -3.369 5.738 1.00 0.66 H new ATOM 0 HB2 LEU A 49 1.661 -1.176 5.407 1.00 1.31 H new ATOM 0 HB3 LEU A 49 1.079 -2.776 4.990 1.00 1.31 H new ATOM 0 HG LEU A 49 -0.106 -2.805 7.245 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.660 -0.643 8.255 1.00 1.52 H new ATOM 0 HD12 LEU A 49 1.079 -1.007 8.366 1.00 1.52 H new ATOM 0 HD13 LEU A 49 0.490 0.161 7.160 1.00 1.52 H new ATOM 0 HD21 LEU A 49 -1.976 -1.396 6.326 1.00 1.45 H new ATOM 0 HD22 LEU A 49 -0.837 -0.671 5.166 1.00 1.45 H new ATOM 0 HD23 LEU A 49 -1.237 -2.402 5.057 1.00 1.45 H new ATOM 298 N GLU A 50 4.772 -1.800 6.160 1.00 0.62 N ATOM 299 CA GLU A 50 5.897 -0.869 6.256 1.00 0.65 C ATOM 300 C GLU A 50 5.930 0.000 5.010 1.00 0.62 C ATOM 301 O GLU A 50 6.076 -0.474 3.886 1.00 0.70 O ATOM 302 CB GLU A 50 7.228 -1.590 6.434 1.00 0.76 C ATOM 303 CG GLU A 50 7.193 -2.561 7.620 1.00 0.82 C ATOM 304 CD GLU A 50 8.427 -2.462 8.518 1.00 1.41 C ATOM 305 OE1 GLU A 50 8.261 -2.334 9.757 1.00 2.57 O ATOM 306 OE2 GLU A 50 9.576 -2.482 8.008 1.00 1.79 O ATOM 0 H GLU A 50 4.909 -2.511 5.442 1.00 0.62 H new ATOM 0 HA GLU A 50 5.752 -0.250 7.141 1.00 0.65 H new ATOM 0 HB2 GLU A 50 7.470 -2.137 5.523 1.00 0.76 H new ATOM 0 HB3 GLU A 50 8.021 -0.858 6.586 1.00 0.76 H new ATOM 0 HG2 GLU A 50 6.302 -2.364 8.216 1.00 0.82 H new ATOM 0 HG3 GLU A 50 7.106 -3.580 7.244 1.00 0.82 H new ATOM 313 N LEU A 51 5.690 1.279 5.214 1.00 0.66 N ATOM 314 CA LEU A 51 5.265 2.200 4.156 1.00 0.71 C ATOM 315 C LEU A 51 5.798 3.631 4.340 1.00 0.91 C ATOM 316 O LEU A 51 6.101 4.047 5.459 1.00 1.13 O ATOM 317 CB LEU A 51 3.737 2.084 3.974 1.00 0.77 C ATOM 318 CG LEU A 51 2.897 2.977 4.882 1.00 0.93 C ATOM 319 CD1 LEU A 51 1.402 2.819 4.596 1.00 1.30 C ATOM 320 CD2 LEU A 51 3.095 2.691 6.367 1.00 1.01 C ATOM 0 H LEU A 51 5.783 1.723 6.128 1.00 0.66 H new ATOM 0 HA LEU A 51 5.726 1.904 3.213 1.00 0.71 H new ATOM 0 HB2 LEU A 51 3.493 2.318 2.938 1.00 0.77 H new ATOM 0 HB3 LEU A 51 3.446 1.047 4.144 1.00 0.77 H new ATOM 0 HG LEU A 51 3.239 3.988 4.661 1.00 0.93 H new ATOM 0 HD11 LEU A 51 0.834 3.469 5.261 1.00 1.30 H new ATOM 0 HD12 LEU A 51 1.199 3.092 3.560 1.00 1.30 H new ATOM 0 HD13 LEU A 51 1.107 1.783 4.763 1.00 1.30 H new ATOM 0 HD21 LEU A 51 2.468 3.362 6.954 1.00 1.01 H new ATOM 0 HD22 LEU A 51 2.818 1.658 6.579 1.00 1.01 H new ATOM 0 HD23 LEU A 51 4.141 2.848 6.632 1.00 1.01 H new ATOM 332 N ARG A 52 5.922 4.384 3.244 1.00 0.88 N ATOM 333 CA ARG A 52 6.725 5.612 3.183 1.00 0.84 C ATOM 334 C ARG A 52 6.260 6.534 2.056 1.00 0.72 C ATOM 335 O ARG A 52 5.962 6.074 0.956 1.00 0.71 O ATOM 336 CB ARG A 52 8.191 5.182 2.992 1.00 1.01 C ATOM 337 CG ARG A 52 9.134 6.363 2.754 1.00 1.46 C ATOM 338 CD ARG A 52 10.587 5.890 2.703 1.00 2.08 C ATOM 339 NE ARG A 52 11.452 6.908 2.075 1.00 3.06 N ATOM 340 CZ ARG A 52 11.489 7.209 0.788 1.00 4.57 C ATOM 341 NH1 ARG A 52 10.849 6.534 -0.120 1.00 5.64 N ATOM 342 NH2 ARG A 52 12.179 8.221 0.380 1.00 5.48 N ATOM 0 H ARG A 52 5.463 4.157 2.362 1.00 0.88 H new ATOM 0 HA ARG A 52 6.612 6.187 4.102 1.00 0.84 H new ATOM 0 HB2 ARG A 52 8.521 4.633 3.874 1.00 1.01 H new ATOM 0 HB3 ARG A 52 8.256 4.496 2.147 1.00 1.01 H new ATOM 0 HG2 ARG A 52 8.875 6.860 1.819 1.00 1.46 H new ATOM 0 HG3 ARG A 52 9.013 7.098 3.550 1.00 1.46 H new ATOM 0 HD2 ARG A 52 10.941 5.680 3.712 1.00 2.08 H new ATOM 0 HD3 ARG A 52 10.650 4.957 2.142 1.00 2.08 H new ATOM 0 HE ARG A 52 12.079 7.427 2.690 1.00 3.06 H new ATOM 0 HH11 ARG A 52 10.283 5.728 0.147 1.00 5.64 H new ATOM 0 HH12 ARG A 52 10.912 6.810 -1.100 1.00 5.64 H new ATOM 0 HH21 ARG A 52 12.696 8.789 1.051 1.00 5.48 H new ATOM 0 HH22 ARG A 52 12.207 8.452 -0.613 1.00 5.48 H new ATOM 356 N ASN A 53 6.277 7.843 2.282 1.00 0.70 N ATOM 357 CA ASN A 53 6.157 8.836 1.222 1.00 0.63 C ATOM 358 C ASN A 53 7.520 9.262 0.625 1.00 0.71 C ATOM 359 O ASN A 53 8.529 9.426 1.319 1.00 0.99 O ATOM 360 CB ASN A 53 5.163 9.927 1.653 1.00 0.74 C ATOM 361 CG ASN A 53 5.656 11.109 2.470 1.00 1.06 C ATOM 362 OD1 ASN A 53 6.819 11.481 2.498 1.00 1.82 O ATOM 363 ND2 ASN A 53 4.742 11.784 3.115 1.00 0.88 N ATOM 0 H ASN A 53 6.375 8.247 3.213 1.00 0.70 H new ATOM 0 HA ASN A 53 5.704 8.401 0.331 1.00 0.63 H new ATOM 0 HB2 ASN A 53 4.702 10.325 0.749 1.00 0.74 H new ATOM 0 HB3 ASN A 53 4.373 9.441 2.226 1.00 0.74 H new ATOM 0 HD21 ASN A 53 5.000 12.619 3.640 1.00 0.88 H new ATOM 0 HD22 ASN A 53 3.770 11.476 3.093 1.00 0.88 H new ATOM 370 N GLU A 54 7.545 9.393 -0.704 1.00 0.70 N ATOM 371 CA GLU A 54 8.727 9.690 -1.537 1.00 0.89 C ATOM 372 C GLU A 54 8.790 11.183 -1.929 1.00 0.82 C ATOM 373 O GLU A 54 9.838 11.708 -2.314 1.00 0.99 O ATOM 374 CB GLU A 54 8.633 8.781 -2.783 1.00 1.08 C ATOM 375 CG GLU A 54 9.885 8.710 -3.669 1.00 1.66 C ATOM 376 CD GLU A 54 11.011 7.944 -2.974 1.00 2.95 C ATOM 377 OE1 GLU A 54 11.882 8.580 -2.334 1.00 4.17 O ATOM 378 OE2 GLU A 54 10.993 6.688 -2.981 1.00 3.81 O ATOM 0 H GLU A 54 6.698 9.290 -1.264 1.00 0.70 H new ATOM 0 HA GLU A 54 9.644 9.492 -0.983 1.00 0.89 H new ATOM 0 HB2 GLU A 54 8.390 7.771 -2.452 1.00 1.08 H new ATOM 0 HB3 GLU A 54 7.799 9.125 -3.395 1.00 1.08 H new ATOM 0 HG2 GLU A 54 9.639 8.223 -4.613 1.00 1.66 H new ATOM 0 HG3 GLU A 54 10.222 9.719 -3.909 1.00 1.66 H new ATOM 385 N SER A 55 7.644 11.858 -1.815 1.00 0.67 N ATOM 386 CA SER A 55 7.309 13.203 -2.282 1.00 0.67 C ATOM 387 C SER A 55 8.218 14.361 -1.854 1.00 0.86 C ATOM 388 O SER A 55 8.321 15.332 -2.600 1.00 1.16 O ATOM 389 CB SER A 55 5.848 13.441 -1.921 1.00 0.64 C ATOM 390 OG SER A 55 5.518 13.070 -0.595 1.00 1.66 O ATOM 0 H SER A 55 6.846 11.431 -1.344 1.00 0.67 H new ATOM 0 HA SER A 55 7.485 13.213 -3.358 1.00 0.67 H new ATOM 0 HB2 SER A 55 5.616 14.497 -2.061 1.00 0.64 H new ATOM 0 HB3 SER A 55 5.217 12.882 -2.612 1.00 0.64 H new ATOM 0 HG SER A 55 4.718 12.504 -0.603 1.00 1.66 H new ATOM 396 N GLY A 56 8.981 14.248 -0.763 1.00 0.91 N ATOM 397 CA GLY A 56 10.014 15.236 -0.411 1.00 1.10 C ATOM 398 C GLY A 56 11.224 15.251 -1.357 1.00 1.22 C ATOM 399 O GLY A 56 12.036 16.181 -1.314 1.00 1.44 O ATOM 0 H GLY A 56 8.904 13.476 -0.101 1.00 0.91 H new ATOM 0 HA2 GLY A 56 9.563 16.228 -0.402 1.00 1.10 H new ATOM 0 HA3 GLY A 56 10.362 15.035 0.602 1.00 1.10 H new ATOM 403 N GLY A 57 11.317 14.271 -2.261 1.00 1.20 N ATOM 404 CA GLY A 57 12.235 14.275 -3.401 1.00 1.46 C ATOM 405 C GLY A 57 11.883 15.275 -4.511 1.00 1.65 C ATOM 406 O GLY A 57 12.676 15.417 -5.441 1.00 2.66 O ATOM 0 H GLY A 57 10.740 13.431 -2.218 1.00 1.20 H new ATOM 0 HA2 GLY A 57 13.239 14.495 -3.039 1.00 1.46 H new ATOM 0 HA3 GLY A 57 12.263 13.273 -3.830 1.00 1.46 H new ATOM 410 N HIS A 58 10.730 15.951 -4.435 1.00 1.24 N ATOM 411 CA HIS A 58 10.121 16.723 -5.526 1.00 1.34 C ATOM 412 C HIS A 58 9.865 18.192 -5.128 1.00 1.45 C ATOM 413 O HIS A 58 9.801 18.532 -3.942 1.00 1.97 O ATOM 414 CB HIS A 58 8.857 15.964 -5.979 1.00 1.25 C ATOM 415 CG HIS A 58 9.205 14.565 -6.455 1.00 1.40 C ATOM 416 ND1 HIS A 58 9.158 13.415 -5.711 1.00 1.89 N flip ATOM 417 CD2 HIS A 58 9.814 14.228 -7.644 1.00 1.21 C flip ATOM 418 CE1 HIS A 58 9.727 12.371 -6.448 1.00 1.95 C flip ATOM 419 NE2 HIS A 58 10.085 12.915 -7.623 1.00 1.57 N flip ATOM 0 H HIS A 58 10.175 15.976 -3.580 1.00 1.24 H new ATOM 0 HA HIS A 58 10.804 16.802 -6.372 1.00 1.34 H new ATOM 0 HB2 HIS A 58 8.148 15.905 -5.153 1.00 1.25 H new ATOM 0 HB3 HIS A 58 8.366 16.514 -6.782 1.00 1.25 H new ATOM 0 HD2 HIS A 58 10.035 14.906 -8.455 1.00 1.21 H new ATOM 0 HE1 HIS A 58 9.852 11.344 -6.138 1.00 1.95 H new ATOM 0 HE2 HIS A 58 10.506 12.399 -8.395 1.00 1.57 H new ATOM 427 N ALA A 59 9.716 19.088 -6.109 1.00 1.81 N ATOM 428 CA ALA A 59 9.705 20.550 -5.918 1.00 2.09 C ATOM 429 C ALA A 59 8.326 21.116 -5.499 1.00 1.95 C ATOM 430 O ALA A 59 7.888 22.173 -5.975 1.00 2.31 O ATOM 431 CB ALA A 59 10.300 21.202 -7.173 1.00 2.52 C ATOM 0 H ALA A 59 9.596 18.814 -7.084 1.00 1.81 H new ATOM 0 HA ALA A 59 10.331 20.804 -5.063 1.00 2.09 H new ATOM 0 HB1 ALA A 59 10.302 22.285 -7.054 1.00 2.52 H new ATOM 0 HB2 ALA A 59 11.322 20.851 -7.316 1.00 2.52 H new ATOM 0 HB3 ALA A 59 9.699 20.934 -8.042 1.00 2.52 H new ATOM 437 N VAL A 60 7.634 20.374 -4.630 1.00 1.55 N ATOM 438 CA VAL A 60 6.209 20.498 -4.271 1.00 1.36 C ATOM 439 C VAL A 60 5.973 21.398 -3.037 1.00 1.37 C ATOM 440 O VAL A 60 6.909 21.593 -2.249 1.00 1.54 O ATOM 441 CB VAL A 60 5.600 19.087 -4.075 1.00 1.19 C ATOM 442 CG1 VAL A 60 5.714 18.249 -5.356 1.00 1.37 C ATOM 443 CG2 VAL A 60 6.231 18.298 -2.919 1.00 1.13 C ATOM 0 H VAL A 60 8.083 19.614 -4.119 1.00 1.55 H new ATOM 0 HA VAL A 60 5.700 20.997 -5.096 1.00 1.36 H new ATOM 0 HB VAL A 60 4.554 19.265 -3.827 1.00 1.19 H new ATOM 0 HG11 VAL A 60 5.278 17.264 -5.187 1.00 1.37 H new ATOM 0 HG12 VAL A 60 5.181 18.748 -6.166 1.00 1.37 H new ATOM 0 HG13 VAL A 60 6.764 18.139 -5.627 1.00 1.37 H new ATOM 0 HG21 VAL A 60 5.754 17.321 -2.842 1.00 1.13 H new ATOM 0 HG22 VAL A 60 7.297 18.168 -3.106 1.00 1.13 H new ATOM 0 HG23 VAL A 60 6.091 18.844 -1.986 1.00 1.13 H new ATOM 453 N PRO A 61 4.755 21.941 -2.816 1.00 1.32 N ATOM 454 CA PRO A 61 4.443 22.775 -1.646 1.00 1.42 C ATOM 455 C PRO A 61 4.644 22.032 -0.311 1.00 1.52 C ATOM 456 O PRO A 61 4.461 20.810 -0.272 1.00 1.45 O ATOM 457 CB PRO A 61 2.979 23.208 -1.806 1.00 1.52 C ATOM 458 CG PRO A 61 2.694 23.040 -3.296 1.00 1.55 C ATOM 459 CD PRO A 61 3.603 21.885 -3.707 1.00 1.34 C ATOM 0 HA PRO A 61 5.122 23.627 -1.609 1.00 1.42 H new ATOM 0 HB2 PRO A 61 2.314 22.591 -1.202 1.00 1.52 H new ATOM 0 HB3 PRO A 61 2.833 24.240 -1.487 1.00 1.52 H new ATOM 0 HG2 PRO A 61 1.645 22.809 -3.480 1.00 1.55 H new ATOM 0 HG3 PRO A 61 2.923 23.948 -3.853 1.00 1.55 H new ATOM 0 HD2 PRO A 61 3.085 20.930 -3.615 1.00 1.34 H new ATOM 0 HD3 PRO A 61 3.910 21.982 -4.748 1.00 1.34 H new ATOM 467 N PRO A 62 4.949 22.722 0.805 1.00 1.78 N ATOM 468 CA PRO A 62 5.096 22.079 2.111 1.00 2.02 C ATOM 469 C PRO A 62 3.809 21.358 2.545 1.00 2.00 C ATOM 470 O PRO A 62 2.689 21.807 2.271 1.00 1.99 O ATOM 471 CB PRO A 62 5.515 23.189 3.080 1.00 2.37 C ATOM 472 CG PRO A 62 4.964 24.456 2.429 1.00 2.19 C ATOM 473 CD PRO A 62 5.093 24.164 0.934 1.00 1.94 C ATOM 0 HA PRO A 62 5.849 21.291 2.086 1.00 2.02 H new ATOM 0 HB2 PRO A 62 5.096 23.034 4.074 1.00 2.37 H new ATOM 0 HB3 PRO A 62 6.598 23.235 3.194 1.00 2.37 H new ATOM 0 HG2 PRO A 62 3.928 24.639 2.716 1.00 2.19 H new ATOM 0 HG3 PRO A 62 5.535 25.338 2.718 1.00 2.19 H new ATOM 0 HD2 PRO A 62 4.325 24.687 0.364 1.00 1.94 H new ATOM 0 HD3 PRO A 62 6.057 24.498 0.551 1.00 1.94 H new ATOM 481 N GLY A 63 3.976 20.199 3.183 1.00 2.13 N ATOM 482 CA GLY A 63 2.893 19.303 3.601 1.00 2.19 C ATOM 483 C GLY A 63 2.300 18.449 2.474 1.00 1.82 C ATOM 484 O GLY A 63 1.377 17.679 2.731 1.00 1.83 O ATOM 0 H GLY A 63 4.899 19.845 3.432 1.00 2.13 H new ATOM 0 HA2 GLY A 63 3.268 18.641 4.382 1.00 2.19 H new ATOM 0 HA3 GLY A 63 2.096 19.900 4.044 1.00 2.19 H new ATOM 488 N SER A 64 2.793 18.565 1.232 1.00 1.55 N ATOM 489 CA SER A 64 2.287 17.804 0.089 1.00 1.24 C ATOM 490 C SER A 64 2.755 16.357 0.136 1.00 0.98 C ATOM 491 O SER A 64 3.935 16.056 0.314 1.00 1.16 O ATOM 492 CB SER A 64 2.701 18.405 -1.253 1.00 1.32 C ATOM 493 OG SER A 64 2.254 19.737 -1.349 1.00 2.19 O ATOM 0 H SER A 64 3.559 19.195 0.995 1.00 1.55 H new ATOM 0 HA SER A 64 1.201 17.848 0.167 1.00 1.24 H new ATOM 0 HB2 SER A 64 3.786 18.370 -1.356 1.00 1.32 H new ATOM 0 HB3 SER A 64 2.284 17.814 -2.068 1.00 1.32 H new ATOM 0 HG SER A 64 2.975 20.344 -1.081 1.00 2.19 H new ATOM 499 N GLU A 65 1.811 15.461 -0.095 1.00 0.86 N ATOM 500 CA GLU A 65 1.993 14.008 -0.107 1.00 0.77 C ATOM 501 C GLU A 65 1.565 13.488 -1.493 1.00 0.78 C ATOM 502 O GLU A 65 0.524 12.848 -1.642 1.00 1.06 O ATOM 503 CB GLU A 65 1.228 13.380 1.082 1.00 1.01 C ATOM 504 CG GLU A 65 1.717 13.870 2.458 1.00 1.04 C ATOM 505 CD GLU A 65 0.764 13.462 3.589 1.00 1.28 C ATOM 506 OE1 GLU A 65 -0.247 14.180 3.809 1.00 2.25 O ATOM 507 OE2 GLU A 65 1.040 12.448 4.276 1.00 1.94 O ATOM 0 H GLU A 65 0.848 15.734 -0.289 1.00 0.86 H new ATOM 0 HA GLU A 65 3.034 13.719 0.035 1.00 0.77 H new ATOM 0 HB2 GLU A 65 0.167 13.607 0.981 1.00 1.01 H new ATOM 0 HB3 GLU A 65 1.328 12.296 1.035 1.00 1.01 H new ATOM 0 HG2 GLU A 65 2.709 13.463 2.656 1.00 1.04 H new ATOM 0 HG3 GLU A 65 1.816 14.955 2.442 1.00 1.04 H new ATOM 514 N THR A 66 2.325 13.847 -2.542 1.00 0.71 N ATOM 515 CA THR A 66 2.012 13.535 -3.951 1.00 0.90 C ATOM 516 C THR A 66 2.381 12.103 -4.336 1.00 0.80 C ATOM 517 O THR A 66 1.867 11.584 -5.324 1.00 0.99 O ATOM 518 CB THR A 66 2.786 14.456 -4.920 1.00 1.10 C ATOM 519 OG1 THR A 66 4.172 14.350 -4.689 1.00 1.45 O ATOM 520 CG2 THR A 66 2.472 15.943 -4.789 1.00 1.08 C ATOM 0 H THR A 66 3.192 14.373 -2.434 1.00 0.71 H new ATOM 0 HA THR A 66 0.935 13.681 -4.036 1.00 0.90 H new ATOM 0 HB THR A 66 2.475 14.115 -5.907 1.00 1.10 H new ATOM 0 HG1 THR A 66 4.653 14.936 -5.310 1.00 1.45 H new ATOM 0 HG21 THR A 66 3.065 16.505 -5.511 1.00 1.08 H new ATOM 0 HG22 THR A 66 1.412 16.109 -4.982 1.00 1.08 H new ATOM 0 HG23 THR A 66 2.714 16.279 -3.781 1.00 1.08 H new ATOM 528 N HIS A 67 3.315 11.494 -3.606 1.00 0.60 N ATOM 529 CA HIS A 67 4.172 10.422 -4.105 1.00 0.57 C ATOM 530 C HIS A 67 4.389 9.369 -3.011 1.00 0.45 C ATOM 531 O HIS A 67 4.914 9.704 -1.944 1.00 0.45 O ATOM 532 CB HIS A 67 5.500 11.078 -4.530 1.00 0.64 C ATOM 533 CG HIS A 67 5.890 10.880 -5.958 1.00 0.87 C ATOM 534 ND1 HIS A 67 7.110 10.527 -6.484 1.00 1.15 N ATOM 535 CD2 HIS A 67 5.110 11.303 -6.986 1.00 0.97 C ATOM 536 CE1 HIS A 67 7.040 10.684 -7.817 1.00 1.34 C ATOM 537 NE2 HIS A 67 5.837 11.174 -8.177 1.00 1.23 N ATOM 0 H HIS A 67 3.500 11.738 -2.633 1.00 0.60 H new ATOM 0 HA HIS A 67 3.719 9.907 -4.952 1.00 0.57 H new ATOM 0 HB2 HIS A 67 5.434 12.148 -4.335 1.00 0.64 H new ATOM 0 HB3 HIS A 67 6.297 10.687 -3.897 1.00 0.64 H new ATOM 0 HD2 HIS A 67 4.100 11.676 -6.900 1.00 0.97 H new ATOM 0 HE1 HIS A 67 7.838 10.450 -8.505 1.00 1.34 H new ATOM 0 HE2 HIS A 67 5.522 11.403 -9.120 1.00 1.23 H new ATOM 545 N PHE A 68 4.023 8.106 -3.257 1.00 0.44 N ATOM 546 CA PHE A 68 3.830 7.142 -2.166 1.00 0.45 C ATOM 547 C PHE A 68 4.366 5.713 -2.421 1.00 0.45 C ATOM 548 O PHE A 68 4.487 5.262 -3.564 1.00 0.55 O ATOM 549 CB PHE A 68 2.342 7.189 -1.740 1.00 0.60 C ATOM 550 CG PHE A 68 2.121 6.620 -0.357 1.00 0.71 C ATOM 551 CD1 PHE A 68 1.420 5.416 -0.187 1.00 2.15 C ATOM 552 CD2 PHE A 68 2.667 7.283 0.760 1.00 2.01 C ATOM 553 CE1 PHE A 68 1.277 4.876 1.101 1.00 2.39 C ATOM 554 CE2 PHE A 68 2.548 6.726 2.046 1.00 2.22 C ATOM 555 CZ PHE A 68 1.847 5.523 2.208 1.00 1.57 C ATOM 0 H PHE A 68 3.856 7.730 -4.190 1.00 0.44 H new ATOM 0 HA PHE A 68 4.464 7.453 -1.336 1.00 0.45 H new ATOM 0 HB2 PHE A 68 1.992 8.221 -1.766 1.00 0.60 H new ATOM 0 HB3 PHE A 68 1.743 6.631 -2.460 1.00 0.60 H new ATOM 0 HD1 PHE A 68 0.994 4.909 -1.040 1.00 2.15 H new ATOM 0 HD2 PHE A 68 3.180 8.224 0.628 1.00 2.01 H new ATOM 0 HE1 PHE A 68 0.725 3.958 1.241 1.00 2.39 H new ATOM 0 HE2 PHE A 68 2.991 7.219 2.898 1.00 2.22 H new ATOM 0 HZ PHE A 68 1.745 5.091 3.192 1.00 1.57 H new ATOM 565 N ARG A 69 4.712 4.987 -1.351 1.00 0.59 N ATOM 566 CA ARG A 69 5.270 3.623 -1.376 1.00 0.58 C ATOM 567 C ARG A 69 4.703 2.784 -0.227 1.00 0.62 C ATOM 568 O ARG A 69 4.628 3.258 0.904 1.00 0.84 O ATOM 569 CB ARG A 69 6.804 3.713 -1.282 1.00 0.76 C ATOM 570 CG ARG A 69 7.565 2.383 -1.408 1.00 1.76 C ATOM 571 CD ARG A 69 7.587 1.795 -2.826 1.00 1.81 C ATOM 572 NE ARG A 69 8.612 0.737 -2.923 1.00 2.95 N ATOM 573 CZ ARG A 69 9.895 0.890 -3.214 1.00 3.42 C ATOM 574 NH1 ARG A 69 10.411 2.051 -3.498 1.00 3.62 N ATOM 575 NH2 ARG A 69 10.700 -0.133 -3.199 1.00 4.67 N ATOM 0 H ARG A 69 4.608 5.346 -0.402 1.00 0.59 H new ATOM 0 HA ARG A 69 4.991 3.132 -2.308 1.00 0.58 H new ATOM 0 HB2 ARG A 69 7.157 4.387 -2.063 1.00 0.76 H new ATOM 0 HB3 ARG A 69 7.064 4.169 -0.326 1.00 0.76 H new ATOM 0 HG2 ARG A 69 8.592 2.533 -1.074 1.00 1.76 H new ATOM 0 HG3 ARG A 69 7.114 1.655 -0.733 1.00 1.76 H new ATOM 0 HD2 ARG A 69 6.607 1.386 -3.073 1.00 1.81 H new ATOM 0 HD3 ARG A 69 7.796 2.582 -3.551 1.00 1.81 H new ATOM 0 HE ARG A 69 8.297 -0.217 -2.746 1.00 2.95 H new ATOM 0 HH11 ARG A 69 9.822 2.884 -3.502 1.00 3.62 H new ATOM 0 HH12 ARG A 69 11.404 2.128 -3.717 1.00 3.62 H new ATOM 0 HH21 ARG A 69 10.344 -1.059 -2.962 1.00 4.67 H new ATOM 0 HH22 ARG A 69 11.687 -0.009 -3.424 1.00 4.67 H new ATOM 589 N VAL A 70 4.357 1.522 -0.494 1.00 0.51 N ATOM 590 CA VAL A 70 3.973 0.535 0.536 1.00 0.48 C ATOM 591 C VAL A 70 4.736 -0.768 0.371 1.00 0.50 C ATOM 592 O VAL A 70 4.919 -1.265 -0.742 1.00 0.64 O ATOM 593 CB VAL A 70 2.459 0.221 0.539 1.00 0.65 C ATOM 594 CG1 VAL A 70 2.054 -0.673 1.727 1.00 1.02 C ATOM 595 CG2 VAL A 70 1.592 1.479 0.584 1.00 0.89 C ATOM 0 H VAL A 70 4.333 1.146 -1.442 1.00 0.51 H new ATOM 0 HA VAL A 70 4.230 1.000 1.488 1.00 0.48 H new ATOM 0 HB VAL A 70 2.284 -0.304 -0.400 1.00 0.65 H new ATOM 0 HG11 VAL A 70 0.982 -0.867 1.688 1.00 1.02 H new ATOM 0 HG12 VAL A 70 2.596 -1.617 1.673 1.00 1.02 H new ATOM 0 HG13 VAL A 70 2.297 -0.168 2.662 1.00 1.02 H new ATOM 0 HG21 VAL A 70 0.539 1.196 0.584 1.00 0.89 H new ATOM 0 HG22 VAL A 70 1.816 2.043 1.489 1.00 0.89 H new ATOM 0 HG23 VAL A 70 1.801 2.097 -0.289 1.00 0.89 H new ATOM 605 N ALA A 71 5.063 -1.385 1.500 1.00 0.52 N ATOM 606 CA ALA A 71 5.227 -2.834 1.600 1.00 0.58 C ATOM 607 C ALA A 71 4.214 -3.426 2.559 1.00 0.67 C ATOM 608 O ALA A 71 4.023 -2.950 3.674 1.00 0.66 O ATOM 609 CB ALA A 71 6.668 -3.192 1.990 1.00 0.66 C ATOM 0 H ALA A 71 5.223 -0.893 2.379 1.00 0.52 H new ATOM 0 HA ALA A 71 5.038 -3.274 0.621 1.00 0.58 H new ATOM 0 HB1 ALA A 71 6.768 -4.275 2.059 1.00 0.66 H new ATOM 0 HB2 ALA A 71 7.355 -2.812 1.234 1.00 0.66 H new ATOM 0 HB3 ALA A 71 6.906 -2.744 2.955 1.00 0.66 H new ATOM 615 N VAL A 72 3.515 -4.445 2.075 1.00 0.78 N ATOM 616 CA VAL A 72 2.362 -5.025 2.699 1.00 0.81 C ATOM 617 C VAL A 72 2.438 -6.542 2.568 1.00 0.82 C ATOM 618 O VAL A 72 2.772 -7.098 1.520 1.00 0.96 O ATOM 619 CB VAL A 72 1.105 -4.416 2.062 1.00 0.85 C ATOM 620 CG1 VAL A 72 1.014 -4.432 0.538 1.00 2.17 C ATOM 621 CG2 VAL A 72 -0.094 -5.052 2.690 1.00 2.23 C ATOM 0 H VAL A 72 3.759 -4.901 1.196 1.00 0.78 H new ATOM 0 HA VAL A 72 2.322 -4.804 3.766 1.00 0.81 H new ATOM 0 HB VAL A 72 1.160 -3.348 2.272 1.00 0.85 H new ATOM 0 HG11 VAL A 72 0.077 -3.972 0.225 1.00 2.17 H new ATOM 0 HG12 VAL A 72 1.851 -3.874 0.118 1.00 2.17 H new ATOM 0 HG13 VAL A 72 1.049 -5.462 0.182 1.00 2.17 H new ATOM 0 HG21 VAL A 72 -1.000 -4.633 2.251 1.00 2.23 H new ATOM 0 HG22 VAL A 72 -0.069 -6.127 2.514 1.00 2.23 H new ATOM 0 HG23 VAL A 72 -0.088 -4.860 3.763 1.00 2.23 H new ATOM 631 N VAL A 73 2.081 -7.212 3.652 1.00 0.69 N ATOM 632 CA VAL A 73 2.116 -8.670 3.760 1.00 0.67 C ATOM 633 C VAL A 73 0.884 -9.156 4.495 1.00 0.65 C ATOM 634 O VAL A 73 0.550 -8.636 5.568 1.00 0.65 O ATOM 635 CB VAL A 73 3.450 -9.138 4.366 1.00 0.81 C ATOM 636 CG1 VAL A 73 3.389 -9.869 5.706 1.00 1.07 C ATOM 637 CG2 VAL A 73 4.251 -9.910 3.339 1.00 1.62 C ATOM 0 H VAL A 73 1.751 -6.752 4.501 1.00 0.69 H new ATOM 0 HA VAL A 73 2.079 -9.127 2.771 1.00 0.67 H new ATOM 0 HB VAL A 73 3.962 -8.212 4.630 1.00 0.81 H new ATOM 0 HG11 VAL A 73 4.397 -10.142 6.018 1.00 1.07 H new ATOM 0 HG12 VAL A 73 2.941 -9.217 6.456 1.00 1.07 H new ATOM 0 HG13 VAL A 73 2.785 -10.770 5.602 1.00 1.07 H new ATOM 0 HG21 VAL A 73 5.193 -10.235 3.781 1.00 1.62 H new ATOM 0 HG22 VAL A 73 3.683 -10.782 3.014 1.00 1.62 H new ATOM 0 HG23 VAL A 73 4.455 -9.270 2.481 1.00 1.62 H new ATOM 647 N SER A 74 0.200 -10.114 3.868 1.00 0.68 N ATOM 648 CA SER A 74 -1.086 -10.646 4.321 1.00 0.69 C ATOM 649 C SER A 74 -1.349 -12.025 3.717 1.00 0.78 C ATOM 650 O SER A 74 -1.055 -12.263 2.543 1.00 0.79 O ATOM 651 CB SER A 74 -2.208 -9.690 3.898 1.00 0.71 C ATOM 652 OG SER A 74 -3.477 -10.239 4.194 1.00 0.80 O ATOM 0 H SER A 74 0.533 -10.552 3.009 1.00 0.68 H new ATOM 0 HA SER A 74 -1.058 -10.740 5.407 1.00 0.69 H new ATOM 0 HB2 SER A 74 -2.091 -8.736 4.412 1.00 0.71 H new ATOM 0 HB3 SER A 74 -2.135 -9.488 2.829 1.00 0.71 H new ATOM 0 HG SER A 74 -4.175 -9.692 3.778 1.00 0.80 H new ATOM 658 N SER A 75 -1.963 -12.922 4.490 1.00 0.90 N ATOM 659 CA SER A 75 -2.410 -14.242 4.013 1.00 1.07 C ATOM 660 C SER A 75 -3.414 -14.147 2.859 1.00 1.19 C ATOM 661 O SER A 75 -3.546 -15.067 2.052 1.00 1.47 O ATOM 662 CB SER A 75 -3.076 -15.015 5.152 1.00 1.15 C ATOM 663 OG SER A 75 -2.287 -14.989 6.326 1.00 2.02 O ATOM 0 H SER A 75 -2.168 -12.756 5.475 1.00 0.90 H new ATOM 0 HA SER A 75 -1.517 -14.755 3.655 1.00 1.07 H new ATOM 0 HB2 SER A 75 -4.056 -14.585 5.361 1.00 1.15 H new ATOM 0 HB3 SER A 75 -3.240 -16.048 4.845 1.00 1.15 H new ATOM 0 HG SER A 75 -2.740 -15.490 7.036 1.00 2.02 H new ATOM 669 N ARG A 76 -4.107 -13.010 2.729 1.00 1.04 N ATOM 670 CA ARG A 76 -5.070 -12.751 1.651 1.00 1.12 C ATOM 671 C ARG A 76 -4.420 -12.673 0.262 1.00 1.13 C ATOM 672 O ARG A 76 -5.096 -12.874 -0.750 1.00 1.30 O ATOM 673 CB ARG A 76 -5.861 -11.487 2.004 1.00 1.09 C ATOM 674 CG ARG A 76 -7.163 -11.461 1.198 1.00 2.14 C ATOM 675 CD ARG A 76 -8.152 -10.474 1.801 1.00 2.00 C ATOM 676 NE ARG A 76 -9.443 -10.586 1.111 1.00 3.26 N ATOM 677 CZ ARG A 76 -10.377 -11.489 1.343 1.00 3.81 C ATOM 678 NH1 ARG A 76 -10.378 -12.283 2.375 1.00 3.65 N ATOM 679 NH2 ARG A 76 -11.345 -11.644 0.497 1.00 5.18 N ATOM 0 H ARG A 76 -4.013 -12.231 3.380 1.00 1.04 H new ATOM 0 HA ARG A 76 -5.752 -13.598 1.578 1.00 1.12 H new ATOM 0 HB2 ARG A 76 -6.081 -11.468 3.071 1.00 1.09 H new ATOM 0 HB3 ARG A 76 -5.267 -10.600 1.785 1.00 1.09 H new ATOM 0 HG2 ARG A 76 -6.951 -11.185 0.165 1.00 2.14 H new ATOM 0 HG3 ARG A 76 -7.604 -12.458 1.178 1.00 2.14 H new ATOM 0 HD2 ARG A 76 -8.278 -10.675 2.865 1.00 2.00 H new ATOM 0 HD3 ARG A 76 -7.767 -9.458 1.712 1.00 2.00 H new ATOM 0 HE ARG A 76 -9.637 -9.900 0.382 1.00 3.26 H new ATOM 0 HH11 ARG A 76 -9.626 -12.227 3.062 1.00 3.65 H new ATOM 0 HH12 ARG A 76 -11.131 -12.960 2.497 1.00 3.65 H new ATOM 0 HH21 ARG A 76 -11.384 -11.069 -0.345 1.00 5.18 H new ATOM 0 HH22 ARG A 76 -12.069 -12.341 0.672 1.00 5.18 H new ATOM 693 N PHE A 77 -3.113 -12.414 0.180 1.00 1.03 N ATOM 694 CA PHE A 77 -2.379 -12.245 -1.072 1.00 1.07 C ATOM 695 C PHE A 77 -1.840 -13.585 -1.629 1.00 1.13 C ATOM 696 O PHE A 77 -0.998 -13.580 -2.527 1.00 1.22 O ATOM 697 CB PHE A 77 -1.267 -11.202 -0.849 1.00 0.99 C ATOM 698 CG PHE A 77 -1.628 -9.797 -0.352 1.00 0.96 C ATOM 699 CD1 PHE A 77 -2.959 -9.340 -0.230 1.00 1.68 C ATOM 700 CD2 PHE A 77 -0.582 -8.904 -0.036 1.00 2.77 C ATOM 701 CE1 PHE A 77 -3.228 -8.039 0.233 1.00 1.70 C ATOM 702 CE2 PHE A 77 -0.849 -7.591 0.400 1.00 2.82 C ATOM 703 CZ PHE A 77 -2.178 -7.167 0.557 1.00 1.12 C ATOM 0 H PHE A 77 -2.522 -12.314 1.005 1.00 1.03 H new ATOM 0 HA PHE A 77 -3.059 -11.880 -1.841 1.00 1.07 H new ATOM 0 HB2 PHE A 77 -0.561 -11.627 -0.136 1.00 0.99 H new ATOM 0 HB3 PHE A 77 -0.736 -11.086 -1.794 1.00 0.99 H new ATOM 0 HD1 PHE A 77 -3.777 -9.994 -0.494 1.00 1.68 H new ATOM 0 HD2 PHE A 77 0.442 -9.233 -0.130 1.00 2.77 H new ATOM 0 HE1 PHE A 77 -4.251 -7.709 0.340 1.00 1.70 H new ATOM 0 HE2 PHE A 77 -0.035 -6.914 0.612 1.00 2.82 H new ATOM 0 HZ PHE A 77 -2.391 -6.174 0.925 1.00 1.12 H new ATOM 713 N GLU A 78 -2.276 -14.729 -1.084 1.00 1.17 N ATOM 714 CA GLU A 78 -1.839 -16.063 -1.499 1.00 1.27 C ATOM 715 C GLU A 78 -2.577 -16.679 -2.707 1.00 1.46 C ATOM 716 O GLU A 78 -3.777 -16.465 -2.920 1.00 1.63 O ATOM 717 CB GLU A 78 -1.848 -17.012 -0.286 1.00 1.33 C ATOM 718 CG GLU A 78 -3.208 -17.685 -0.031 1.00 1.72 C ATOM 719 CD GLU A 78 -3.216 -18.543 1.237 1.00 1.77 C ATOM 720 OE1 GLU A 78 -2.270 -19.343 1.435 1.00 2.93 O ATOM 721 OE2 GLU A 78 -4.167 -18.436 2.051 1.00 2.03 O ATOM 0 H GLU A 78 -2.958 -14.750 -0.325 1.00 1.17 H new ATOM 0 HA GLU A 78 -0.824 -15.928 -1.873 1.00 1.27 H new ATOM 0 HB2 GLU A 78 -1.094 -17.785 -0.436 1.00 1.33 H new ATOM 0 HB3 GLU A 78 -1.558 -16.452 0.603 1.00 1.33 H new ATOM 0 HG2 GLU A 78 -3.978 -16.918 0.050 1.00 1.72 H new ATOM 0 HG3 GLU A 78 -3.467 -18.308 -0.887 1.00 1.72 H new ATOM 728 N GLY A 79 -1.870 -17.542 -3.441 1.00 1.57 N ATOM 729 CA GLY A 79 -2.379 -18.565 -4.364 1.00 1.82 C ATOM 730 C GLY A 79 -2.833 -18.054 -5.733 1.00 1.59 C ATOM 731 O GLY A 79 -2.641 -18.727 -6.750 1.00 2.47 O ATOM 0 H GLY A 79 -0.851 -17.546 -3.404 1.00 1.57 H new ATOM 0 HA2 GLY A 79 -1.600 -19.312 -4.515 1.00 1.82 H new ATOM 0 HA3 GLY A 79 -3.219 -19.072 -3.889 1.00 1.82 H new ATOM 735 N LEU A 80 -3.355 -16.832 -5.767 1.00 0.89 N ATOM 736 CA LEU A 80 -3.521 -16.016 -6.959 1.00 0.97 C ATOM 737 C LEU A 80 -2.160 -15.549 -7.511 1.00 0.90 C ATOM 738 O LEU A 80 -1.137 -15.581 -6.819 1.00 0.97 O ATOM 739 CB LEU A 80 -4.487 -14.856 -6.636 1.00 1.27 C ATOM 740 CG LEU A 80 -4.323 -14.090 -5.331 1.00 0.91 C ATOM 741 CD1 LEU A 80 -2.910 -13.591 -5.033 1.00 1.78 C ATOM 742 CD2 LEU A 80 -5.279 -12.905 -5.257 1.00 1.25 C ATOM 0 H LEU A 80 -3.688 -16.365 -4.924 1.00 0.89 H new ATOM 0 HA LEU A 80 -3.965 -16.606 -7.761 1.00 0.97 H new ATOM 0 HB2 LEU A 80 -4.416 -14.135 -7.450 1.00 1.27 H new ATOM 0 HB3 LEU A 80 -5.500 -15.259 -6.654 1.00 1.27 H new ATOM 0 HG LEU A 80 -4.558 -14.834 -4.570 1.00 0.91 H new ATOM 0 HD11 LEU A 80 -2.905 -13.059 -4.081 1.00 1.78 H new ATOM 0 HD12 LEU A 80 -2.228 -14.440 -4.978 1.00 1.78 H new ATOM 0 HD13 LEU A 80 -2.587 -12.917 -5.827 1.00 1.78 H new ATOM 0 HD21 LEU A 80 -5.135 -12.380 -4.313 1.00 1.25 H new ATOM 0 HD22 LEU A 80 -5.079 -12.224 -6.085 1.00 1.25 H new ATOM 0 HD23 LEU A 80 -6.307 -13.262 -5.321 1.00 1.25 H new ATOM 754 N SER A 81 -2.152 -15.080 -8.759 1.00 0.92 N ATOM 755 CA SER A 81 -1.000 -14.371 -9.326 1.00 1.01 C ATOM 756 C SER A 81 -0.798 -13.015 -8.618 1.00 1.03 C ATOM 757 O SER A 81 -1.793 -12.334 -8.339 1.00 1.05 O ATOM 758 CB SER A 81 -1.223 -14.189 -10.830 1.00 1.15 C ATOM 759 OG SER A 81 -0.263 -13.339 -11.421 1.00 1.62 O ATOM 0 H SER A 81 -2.937 -15.179 -9.403 1.00 0.92 H new ATOM 0 HA SER A 81 -0.092 -14.954 -9.171 1.00 1.01 H new ATOM 0 HB2 SER A 81 -1.191 -15.163 -11.319 1.00 1.15 H new ATOM 0 HB3 SER A 81 -2.219 -13.780 -10.999 1.00 1.15 H new ATOM 0 HG SER A 81 -0.446 -13.256 -12.380 1.00 1.62 H new ATOM 765 N PRO A 82 0.441 -12.554 -8.351 1.00 1.18 N ATOM 766 CA PRO A 82 0.678 -11.248 -7.729 1.00 1.33 C ATOM 767 C PRO A 82 0.063 -10.084 -8.523 1.00 1.26 C ATOM 768 O PRO A 82 -0.505 -9.165 -7.932 1.00 1.25 O ATOM 769 CB PRO A 82 2.200 -11.116 -7.618 1.00 1.58 C ATOM 770 CG PRO A 82 2.688 -12.563 -7.583 1.00 1.59 C ATOM 771 CD PRO A 82 1.699 -13.271 -8.503 1.00 1.34 C ATOM 0 HA PRO A 82 0.193 -11.195 -6.754 1.00 1.33 H new ATOM 0 HB2 PRO A 82 2.618 -10.573 -8.466 1.00 1.58 H new ATOM 0 HB3 PRO A 82 2.490 -10.574 -6.718 1.00 1.58 H new ATOM 0 HG2 PRO A 82 3.713 -12.654 -7.943 1.00 1.59 H new ATOM 0 HG3 PRO A 82 2.667 -12.973 -6.573 1.00 1.59 H new ATOM 0 HD2 PRO A 82 2.041 -13.248 -9.538 1.00 1.34 H new ATOM 0 HD3 PRO A 82 1.588 -14.320 -8.227 1.00 1.34 H new ATOM 779 N LEU A 83 0.084 -10.171 -9.859 1.00 1.27 N ATOM 780 CA LEU A 83 -0.492 -9.185 -10.784 1.00 1.23 C ATOM 781 C LEU A 83 -2.025 -9.146 -10.683 1.00 1.15 C ATOM 782 O LEU A 83 -2.620 -8.069 -10.628 1.00 1.15 O ATOM 783 CB LEU A 83 -0.079 -9.531 -12.227 1.00 1.33 C ATOM 784 CG LEU A 83 1.389 -9.254 -12.599 1.00 2.18 C ATOM 785 CD1 LEU A 83 2.405 -10.146 -11.880 1.00 3.80 C ATOM 786 CD2 LEU A 83 1.563 -9.509 -14.091 1.00 2.59 C ATOM 0 H LEU A 83 0.518 -10.957 -10.343 1.00 1.27 H new ATOM 0 HA LEU A 83 -0.111 -8.201 -10.511 1.00 1.23 H new ATOM 0 HB2 LEU A 83 -0.282 -10.588 -12.397 1.00 1.33 H new ATOM 0 HB3 LEU A 83 -0.717 -8.970 -12.910 1.00 1.33 H new ATOM 0 HG LEU A 83 1.584 -8.224 -12.302 1.00 2.18 H new ATOM 0 HD11 LEU A 83 3.413 -9.882 -12.202 1.00 3.80 H new ATOM 0 HD12 LEU A 83 2.318 -10.001 -10.803 1.00 3.80 H new ATOM 0 HD13 LEU A 83 2.208 -11.190 -12.123 1.00 3.80 H new ATOM 0 HD21 LEU A 83 2.598 -9.318 -14.375 1.00 2.59 H new ATOM 0 HD22 LEU A 83 1.311 -10.546 -14.315 1.00 2.59 H new ATOM 0 HD23 LEU A 83 0.905 -8.846 -14.653 1.00 2.59 H new ATOM 798 N GLN A 84 -2.646 -10.326 -10.580 1.00 1.13 N ATOM 799 CA GLN A 84 -4.082 -10.521 -10.358 1.00 1.10 C ATOM 800 C GLN A 84 -4.510 -9.899 -9.022 1.00 1.12 C ATOM 801 O GLN A 84 -5.497 -9.163 -8.982 1.00 1.19 O ATOM 802 CB GLN A 84 -4.360 -12.034 -10.468 1.00 1.06 C ATOM 803 CG GLN A 84 -5.706 -12.581 -9.966 1.00 0.94 C ATOM 804 CD GLN A 84 -5.804 -14.100 -10.176 1.00 1.12 C ATOM 805 OE1 GLN A 84 -5.151 -14.695 -11.030 1.00 1.83 O ATOM 806 NE2 GLN A 84 -6.577 -14.809 -9.384 1.00 1.09 N ATOM 0 H GLN A 84 -2.140 -11.208 -10.652 1.00 1.13 H new ATOM 0 HA GLN A 84 -4.684 -10.008 -11.108 1.00 1.10 H new ATOM 0 HB2 GLN A 84 -4.263 -12.311 -11.518 1.00 1.06 H new ATOM 0 HB3 GLN A 84 -3.570 -12.554 -9.926 1.00 1.06 H new ATOM 0 HG2 GLN A 84 -5.823 -12.350 -8.907 1.00 0.94 H new ATOM 0 HG3 GLN A 84 -6.522 -12.085 -10.493 1.00 0.94 H new ATOM 0 HE21 GLN A 84 -7.132 -14.346 -8.665 1.00 1.09 H new ATOM 0 HE22 GLN A 84 -6.622 -15.823 -9.489 1.00 1.09 H new ATOM 815 N ARG A 85 -3.719 -10.101 -7.960 1.00 1.08 N ATOM 816 CA ARG A 85 -3.845 -9.446 -6.643 1.00 1.04 C ATOM 817 C ARG A 85 -3.727 -7.918 -6.735 1.00 1.10 C ATOM 818 O ARG A 85 -4.485 -7.185 -6.098 1.00 1.11 O ATOM 819 CB ARG A 85 -2.788 -10.088 -5.706 1.00 1.02 C ATOM 820 CG ARG A 85 -2.008 -9.148 -4.777 1.00 1.69 C ATOM 821 CD ARG A 85 -2.920 -8.640 -3.652 1.00 3.21 C ATOM 822 NE ARG A 85 -2.280 -7.632 -2.795 1.00 4.44 N ATOM 823 CZ ARG A 85 -2.089 -6.359 -3.079 1.00 6.18 C ATOM 824 NH1 ARG A 85 -2.432 -5.836 -4.219 1.00 7.17 N ATOM 825 NH2 ARG A 85 -1.555 -5.572 -2.193 1.00 7.47 N ATOM 0 H ARG A 85 -2.937 -10.755 -7.993 1.00 1.08 H new ATOM 0 HA ARG A 85 -4.841 -9.609 -6.232 1.00 1.04 H new ATOM 0 HB2 ARG A 85 -3.292 -10.831 -5.088 1.00 1.02 H new ATOM 0 HB3 ARG A 85 -2.069 -10.623 -6.326 1.00 1.02 H new ATOM 0 HG2 ARG A 85 -1.152 -9.672 -4.353 1.00 1.69 H new ATOM 0 HG3 ARG A 85 -1.616 -8.305 -5.346 1.00 1.69 H new ATOM 0 HD2 ARG A 85 -3.823 -8.214 -4.090 1.00 3.21 H new ATOM 0 HD3 ARG A 85 -3.232 -9.484 -3.037 1.00 3.21 H new ATOM 0 HE ARG A 85 -1.949 -7.951 -1.885 1.00 4.44 H new ATOM 0 HH11 ARG A 85 -2.868 -6.416 -4.936 1.00 7.17 H new ATOM 0 HH12 ARG A 85 -2.265 -4.845 -4.396 1.00 7.17 H new ATOM 0 HH21 ARG A 85 -1.285 -5.940 -1.281 1.00 7.47 H new ATOM 0 HH22 ARG A 85 -1.406 -4.587 -2.410 1.00 7.47 H new ATOM 839 N HIS A 86 -2.730 -7.418 -7.452 1.00 1.11 N ATOM 840 CA HIS A 86 -2.483 -5.992 -7.661 1.00 1.10 C ATOM 841 C HIS A 86 -3.696 -5.340 -8.346 1.00 1.20 C ATOM 842 O HIS A 86 -4.339 -4.494 -7.724 1.00 1.27 O ATOM 843 CB HIS A 86 -1.150 -5.859 -8.410 1.00 1.14 C ATOM 844 CG HIS A 86 0.072 -5.641 -7.551 1.00 1.12 C ATOM 845 ND1 HIS A 86 1.091 -4.754 -7.811 1.00 1.16 N ATOM 846 CD2 HIS A 86 0.475 -6.401 -6.486 1.00 1.14 C ATOM 847 CE1 HIS A 86 2.079 -4.975 -6.929 1.00 1.11 C ATOM 848 NE2 HIS A 86 1.742 -5.967 -6.085 1.00 1.11 N ATOM 0 H HIS A 86 -2.046 -8.011 -7.921 1.00 1.11 H new ATOM 0 HA HIS A 86 -2.378 -5.442 -6.726 1.00 1.10 H new ATOM 0 HB2 HIS A 86 -0.997 -6.761 -9.002 1.00 1.14 H new ATOM 0 HB3 HIS A 86 -1.231 -5.028 -9.110 1.00 1.14 H new ATOM 0 HD1 HIS A 86 1.095 -4.049 -8.548 1.00 1.16 H new ATOM 0 HD2 HIS A 86 -0.091 -7.201 -6.032 1.00 1.14 H new ATOM 0 HE1 HIS A 86 3.013 -4.433 -6.901 1.00 1.11 H new ATOM 856 N ARG A 87 -4.126 -5.842 -9.515 1.00 1.26 N ATOM 857 CA ARG A 87 -5.354 -5.409 -10.214 1.00 1.38 C ATOM 858 C ARG A 87 -6.597 -5.454 -9.312 1.00 1.37 C ATOM 859 O ARG A 87 -7.346 -4.480 -9.276 1.00 1.44 O ATOM 860 CB ARG A 87 -5.518 -6.260 -11.491 1.00 1.46 C ATOM 861 CG ARG A 87 -6.818 -5.991 -12.271 1.00 2.66 C ATOM 862 CD ARG A 87 -6.865 -6.831 -13.558 1.00 2.74 C ATOM 863 NE ARG A 87 -8.178 -6.756 -14.234 1.00 3.77 N ATOM 864 CZ ARG A 87 -9.276 -7.433 -13.928 1.00 5.09 C ATOM 865 NH1 ARG A 87 -9.313 -8.309 -12.966 1.00 5.98 N ATOM 866 NH2 ARG A 87 -10.370 -7.232 -14.599 1.00 6.11 N ATOM 0 H ARG A 87 -3.622 -6.575 -10.013 1.00 1.26 H new ATOM 0 HA ARG A 87 -5.253 -4.360 -10.493 1.00 1.38 H new ATOM 0 HB2 ARG A 87 -4.669 -6.074 -12.149 1.00 1.46 H new ATOM 0 HB3 ARG A 87 -5.484 -7.315 -11.217 1.00 1.46 H new ATOM 0 HG2 ARG A 87 -7.679 -6.227 -11.645 1.00 2.66 H new ATOM 0 HG3 ARG A 87 -6.886 -4.932 -12.520 1.00 2.66 H new ATOM 0 HD2 ARG A 87 -6.088 -6.488 -14.241 1.00 2.74 H new ATOM 0 HD3 ARG A 87 -6.642 -7.871 -13.318 1.00 2.74 H new ATOM 0 HE ARG A 87 -8.246 -6.113 -15.023 1.00 3.77 H new ATOM 0 HH11 ARG A 87 -8.476 -8.496 -12.414 1.00 5.98 H new ATOM 0 HH12 ARG A 87 -10.179 -8.808 -12.764 1.00 5.98 H new ATOM 0 HH21 ARG A 87 -10.384 -6.554 -15.361 1.00 6.11 H new ATOM 0 HH22 ARG A 87 -11.215 -7.752 -14.364 1.00 6.11 H new ATOM 880 N LEU A 88 -6.780 -6.528 -8.534 1.00 1.32 N ATOM 881 CA LEU A 88 -7.896 -6.679 -7.587 1.00 1.40 C ATOM 882 C LEU A 88 -7.931 -5.520 -6.583 1.00 1.45 C ATOM 883 O LEU A 88 -8.911 -4.784 -6.528 1.00 1.51 O ATOM 884 CB LEU A 88 -7.789 -8.053 -6.893 1.00 1.41 C ATOM 885 CG LEU A 88 -9.050 -8.547 -6.154 1.00 1.82 C ATOM 886 CD1 LEU A 88 -8.893 -10.037 -5.841 1.00 2.27 C ATOM 887 CD2 LEU A 88 -9.300 -7.829 -4.826 1.00 2.57 C ATOM 0 H LEU A 88 -6.149 -7.329 -8.543 1.00 1.32 H new ATOM 0 HA LEU A 88 -8.841 -6.641 -8.128 1.00 1.40 H new ATOM 0 HB2 LEU A 88 -7.520 -8.795 -7.644 1.00 1.41 H new ATOM 0 HB3 LEU A 88 -6.968 -8.012 -6.178 1.00 1.41 H new ATOM 0 HG LEU A 88 -9.892 -8.342 -6.815 1.00 1.82 H new ATOM 0 HD11 LEU A 88 -9.780 -10.394 -5.318 1.00 2.27 H new ATOM 0 HD12 LEU A 88 -8.771 -10.593 -6.770 1.00 2.27 H new ATOM 0 HD13 LEU A 88 -8.016 -10.186 -5.211 1.00 2.27 H new ATOM 0 HD21 LEU A 88 -10.202 -8.227 -4.362 1.00 2.57 H new ATOM 0 HD22 LEU A 88 -8.450 -7.986 -4.162 1.00 2.57 H new ATOM 0 HD23 LEU A 88 -9.426 -6.762 -5.008 1.00 2.57 H new ATOM 899 N VAL A 89 -6.845 -5.317 -5.832 1.00 1.46 N ATOM 900 CA VAL A 89 -6.773 -4.266 -4.791 1.00 1.63 C ATOM 901 C VAL A 89 -6.830 -2.851 -5.381 1.00 1.59 C ATOM 902 O VAL A 89 -7.389 -1.952 -4.777 1.00 1.69 O ATOM 903 CB VAL A 89 -5.515 -4.452 -3.926 1.00 1.83 C ATOM 904 CG1 VAL A 89 -5.274 -3.351 -2.884 1.00 2.00 C ATOM 905 CG2 VAL A 89 -5.610 -5.770 -3.150 1.00 2.09 C ATOM 0 H VAL A 89 -5.991 -5.868 -5.921 1.00 1.46 H new ATOM 0 HA VAL A 89 -7.654 -4.376 -4.159 1.00 1.63 H new ATOM 0 HB VAL A 89 -4.689 -4.427 -4.637 1.00 1.83 H new ATOM 0 HG11 VAL A 89 -4.365 -3.572 -2.325 1.00 2.00 H new ATOM 0 HG12 VAL A 89 -5.166 -2.390 -3.388 1.00 2.00 H new ATOM 0 HG13 VAL A 89 -6.120 -3.308 -2.198 1.00 2.00 H new ATOM 0 HG21 VAL A 89 -4.717 -5.897 -2.539 1.00 2.09 H new ATOM 0 HG22 VAL A 89 -6.490 -5.751 -2.507 1.00 2.09 H new ATOM 0 HG23 VAL A 89 -5.691 -6.600 -3.852 1.00 2.09 H new ATOM 915 N HIS A 90 -6.291 -2.632 -6.569 1.00 1.53 N ATOM 916 CA HIS A 90 -6.314 -1.352 -7.288 1.00 1.68 C ATOM 917 C HIS A 90 -7.700 -1.029 -7.870 1.00 1.74 C ATOM 918 O HIS A 90 -8.031 0.145 -8.009 1.00 1.84 O ATOM 919 CB HIS A 90 -5.265 -1.353 -8.409 1.00 1.69 C ATOM 920 CG HIS A 90 -3.819 -1.453 -7.981 1.00 1.73 C ATOM 921 ND1 HIS A 90 -2.743 -1.218 -8.806 1.00 1.90 N ATOM 922 CD2 HIS A 90 -3.311 -1.877 -6.779 1.00 1.73 C ATOM 923 CE1 HIS A 90 -1.623 -1.536 -8.143 1.00 1.84 C ATOM 924 NE2 HIS A 90 -1.918 -1.910 -6.888 1.00 1.77 N ATOM 0 H HIS A 90 -5.805 -3.364 -7.086 1.00 1.53 H new ATOM 0 HA HIS A 90 -6.076 -0.575 -6.562 1.00 1.68 H new ATOM 0 HB2 HIS A 90 -5.481 -2.186 -9.077 1.00 1.69 H new ATOM 0 HB3 HIS A 90 -5.386 -0.439 -8.990 1.00 1.69 H new ATOM 0 HD1 HIS A 90 -2.790 -0.862 -9.761 1.00 1.90 H new ATOM 0 HD2 HIS A 90 -3.886 -2.139 -5.903 1.00 1.73 H new ATOM 0 HE1 HIS A 90 -0.627 -1.497 -8.558 1.00 1.84 H new ATOM 932 N ALA A 91 -8.527 -2.028 -8.195 1.00 1.74 N ATOM 933 CA ALA A 91 -9.931 -1.826 -8.567 1.00 1.87 C ATOM 934 C ALA A 91 -10.851 -1.712 -7.335 1.00 1.92 C ATOM 935 O ALA A 91 -11.750 -0.865 -7.295 1.00 2.07 O ATOM 936 CB ALA A 91 -10.351 -2.979 -9.487 1.00 1.99 C ATOM 0 H ALA A 91 -8.239 -3.006 -8.207 1.00 1.74 H new ATOM 0 HA ALA A 91 -10.032 -0.877 -9.094 1.00 1.87 H new ATOM 0 HB1 ALA A 91 -11.394 -2.851 -9.778 1.00 1.99 H new ATOM 0 HB2 ALA A 91 -9.723 -2.981 -10.378 1.00 1.99 H new ATOM 0 HB3 ALA A 91 -10.235 -3.926 -8.960 1.00 1.99 H new ATOM 942 N ALA A 92 -10.629 -2.547 -6.318 1.00 1.83 N ATOM 943 CA ALA A 92 -11.439 -2.608 -5.103 1.00 1.90 C ATOM 944 C ALA A 92 -11.123 -1.473 -4.118 1.00 1.90 C ATOM 945 O ALA A 92 -12.050 -0.893 -3.552 1.00 2.05 O ATOM 946 CB ALA A 92 -11.247 -3.984 -4.456 1.00 1.80 C ATOM 0 H ALA A 92 -9.860 -3.217 -6.318 1.00 1.83 H new ATOM 0 HA ALA A 92 -12.485 -2.470 -5.377 1.00 1.90 H new ATOM 0 HB1 ALA A 92 -11.846 -4.045 -3.547 1.00 1.80 H new ATOM 0 HB2 ALA A 92 -11.564 -4.761 -5.152 1.00 1.80 H new ATOM 0 HB3 ALA A 92 -10.195 -4.126 -4.208 1.00 1.80 H new ATOM 952 N LEU A 93 -9.845 -1.108 -3.935 1.00 1.73 N ATOM 953 CA LEU A 93 -9.439 -0.083 -2.948 1.00 1.62 C ATOM 954 C LEU A 93 -9.010 1.237 -3.615 1.00 1.47 C ATOM 955 O LEU A 93 -8.254 2.000 -3.026 1.00 1.20 O ATOM 956 CB LEU A 93 -8.363 -0.627 -1.967 1.00 1.61 C ATOM 957 CG LEU A 93 -8.764 -1.603 -0.854 1.00 1.86 C ATOM 958 CD1 LEU A 93 -9.891 -1.094 0.040 1.00 2.09 C ATOM 959 CD2 LEU A 93 -9.149 -2.935 -1.448 1.00 2.30 C ATOM 0 H LEU A 93 -9.067 -1.508 -4.459 1.00 1.73 H new ATOM 0 HA LEU A 93 -10.322 0.152 -2.353 1.00 1.62 H new ATOM 0 HB2 LEU A 93 -7.596 -1.117 -2.567 1.00 1.61 H new ATOM 0 HB3 LEU A 93 -7.894 0.234 -1.490 1.00 1.61 H new ATOM 0 HG LEU A 93 -7.887 -1.707 -0.215 1.00 1.86 H new ATOM 0 HD11 LEU A 93 -10.117 -1.840 0.802 1.00 2.09 H new ATOM 0 HD12 LEU A 93 -9.583 -0.166 0.521 1.00 2.09 H new ATOM 0 HD13 LEU A 93 -10.780 -0.911 -0.564 1.00 2.09 H new ATOM 0 HD21 LEU A 93 -9.432 -3.621 -0.650 1.00 2.30 H new ATOM 0 HD22 LEU A 93 -9.991 -2.801 -2.127 1.00 2.30 H new ATOM 0 HD23 LEU A 93 -8.302 -3.347 -1.997 1.00 2.30 H new ATOM 971 N ALA A 94 -9.448 1.526 -4.842 1.00 1.71 N ATOM 972 CA ALA A 94 -8.809 2.532 -5.699 1.00 1.55 C ATOM 973 C ALA A 94 -8.576 3.908 -5.049 1.00 1.11 C ATOM 974 O ALA A 94 -7.430 4.368 -4.970 1.00 0.92 O ATOM 975 CB ALA A 94 -9.636 2.676 -6.983 1.00 2.17 C ATOM 0 H ALA A 94 -10.254 1.071 -5.271 1.00 1.71 H new ATOM 0 HA ALA A 94 -7.804 2.163 -5.905 1.00 1.55 H new ATOM 0 HB1 ALA A 94 -9.174 3.421 -7.632 1.00 2.17 H new ATOM 0 HB2 ALA A 94 -9.674 1.718 -7.501 1.00 2.17 H new ATOM 0 HB3 ALA A 94 -10.648 2.992 -6.730 1.00 2.17 H new ATOM 981 N GLU A 95 -9.634 4.534 -4.530 1.00 1.29 N ATOM 982 CA GLU A 95 -9.536 5.847 -3.880 1.00 1.32 C ATOM 983 C GLU A 95 -8.930 5.776 -2.470 1.00 1.34 C ATOM 984 O GLU A 95 -8.499 6.785 -1.912 1.00 1.55 O ATOM 985 CB GLU A 95 -10.899 6.553 -3.869 1.00 1.87 C ATOM 986 CG GLU A 95 -11.360 6.879 -5.294 1.00 2.01 C ATOM 987 CD GLU A 95 -12.554 7.834 -5.288 1.00 2.83 C ATOM 988 OE1 GLU A 95 -13.709 7.364 -5.416 1.00 3.26 O ATOM 989 OE2 GLU A 95 -12.341 9.064 -5.161 1.00 3.93 O ATOM 0 H GLU A 95 -10.579 4.150 -4.547 1.00 1.29 H new ATOM 0 HA GLU A 95 -8.843 6.441 -4.476 1.00 1.32 H new ATOM 0 HB2 GLU A 95 -11.638 5.918 -3.380 1.00 1.87 H new ATOM 0 HB3 GLU A 95 -10.832 7.471 -3.285 1.00 1.87 H new ATOM 0 HG2 GLU A 95 -10.537 7.326 -5.851 1.00 2.01 H new ATOM 0 HG3 GLU A 95 -11.631 5.958 -5.810 1.00 2.01 H new ATOM 996 N GLU A 96 -8.903 4.590 -1.867 1.00 1.27 N ATOM 997 CA GLU A 96 -8.492 4.298 -0.525 1.00 1.31 C ATOM 998 C GLU A 96 -6.967 4.067 -0.463 1.00 1.08 C ATOM 999 O GLU A 96 -6.315 4.448 0.513 1.00 1.31 O ATOM 1000 CB GLU A 96 -9.342 3.075 -0.150 1.00 1.45 C ATOM 1001 CG GLU A 96 -10.861 3.246 -0.387 1.00 1.80 C ATOM 1002 CD GLU A 96 -11.732 2.240 0.382 1.00 1.75 C ATOM 1003 OE1 GLU A 96 -12.295 1.307 -0.235 1.00 2.00 O ATOM 1004 OE2 GLU A 96 -11.908 2.413 1.613 1.00 2.73 O ATOM 0 H GLU A 96 -9.196 3.747 -2.360 1.00 1.27 H new ATOM 0 HA GLU A 96 -8.653 5.108 0.186 1.00 1.31 H new ATOM 0 HB2 GLU A 96 -8.993 2.217 -0.724 1.00 1.45 H new ATOM 0 HB3 GLU A 96 -9.176 2.843 0.902 1.00 1.45 H new ATOM 0 HG2 GLU A 96 -11.151 4.256 -0.099 1.00 1.80 H new ATOM 0 HG3 GLU A 96 -11.065 3.147 -1.453 1.00 1.80 H new ATOM 1011 N LEU A 97 -6.396 3.517 -1.545 1.00 0.85 N ATOM 1012 CA LEU A 97 -4.966 3.338 -1.803 1.00 0.84 C ATOM 1013 C LEU A 97 -4.315 4.570 -2.442 1.00 0.92 C ATOM 1014 O LEU A 97 -3.266 5.030 -1.995 1.00 1.14 O ATOM 1015 CB LEU A 97 -4.840 2.162 -2.793 1.00 1.09 C ATOM 1016 CG LEU A 97 -3.744 1.138 -2.460 1.00 1.25 C ATOM 1017 CD1 LEU A 97 -4.122 0.286 -1.247 1.00 1.89 C ATOM 1018 CD2 LEU A 97 -3.536 0.207 -3.657 1.00 2.52 C ATOM 0 H LEU A 97 -6.964 3.162 -2.314 1.00 0.85 H new ATOM 0 HA LEU A 97 -4.460 3.162 -0.854 1.00 0.84 H new ATOM 0 HB2 LEU A 97 -5.797 1.643 -2.839 1.00 1.09 H new ATOM 0 HB3 LEU A 97 -4.648 2.565 -3.787 1.00 1.09 H new ATOM 0 HG LEU A 97 -2.832 1.690 -2.232 1.00 1.25 H new ATOM 0 HD11 LEU A 97 -3.324 -0.427 -1.040 1.00 1.89 H new ATOM 0 HD12 LEU A 97 -4.266 0.931 -0.380 1.00 1.89 H new ATOM 0 HD13 LEU A 97 -5.046 -0.254 -1.455 1.00 1.89 H new ATOM 0 HD21 LEU A 97 -2.759 -0.520 -3.422 1.00 2.52 H new ATOM 0 HD22 LEU A 97 -4.467 -0.316 -3.877 1.00 2.52 H new ATOM 0 HD23 LEU A 97 -3.234 0.793 -4.525 1.00 2.52 H new ATOM 1030 N GLY A 98 -4.932 5.081 -3.511 1.00 0.98 N ATOM 1031 CA GLY A 98 -4.266 5.951 -4.496 1.00 1.40 C ATOM 1032 C GLY A 98 -5.122 7.131 -4.939 1.00 1.52 C ATOM 1033 O GLY A 98 -4.784 7.840 -5.882 1.00 2.03 O ATOM 0 H GLY A 98 -5.914 4.904 -3.723 1.00 0.98 H new ATOM 0 HA2 GLY A 98 -3.337 6.327 -4.068 1.00 1.40 H new ATOM 0 HA3 GLY A 98 -3.998 5.358 -5.370 1.00 1.40 H new ATOM 1037 N GLY A 99 -6.229 7.351 -4.239 1.00 1.44 N ATOM 1038 CA GLY A 99 -7.161 8.460 -4.486 1.00 1.93 C ATOM 1039 C GLY A 99 -6.533 9.839 -4.259 1.00 2.06 C ATOM 1040 O GLY A 99 -6.488 10.638 -5.197 1.00 2.35 O ATOM 0 H GLY A 99 -6.516 6.753 -3.464 1.00 1.44 H new ATOM 0 HA2 GLY A 99 -7.525 8.398 -5.512 1.00 1.93 H new ATOM 0 HA3 GLY A 99 -8.027 8.350 -3.833 1.00 1.93 H new ATOM 1044 N PRO A 100 -5.996 10.125 -3.056 1.00 1.94 N ATOM 1045 CA PRO A 100 -5.427 11.430 -2.712 1.00 2.09 C ATOM 1046 C PRO A 100 -3.946 11.592 -3.117 1.00 1.82 C ATOM 1047 O PRO A 100 -3.278 12.512 -2.644 1.00 1.87 O ATOM 1048 CB PRO A 100 -5.646 11.528 -1.198 1.00 2.30 C ATOM 1049 CG PRO A 100 -5.416 10.092 -0.739 1.00 2.10 C ATOM 1050 CD PRO A 100 -6.071 9.289 -1.859 1.00 1.90 C ATOM 0 HA PRO A 100 -5.907 12.240 -3.262 1.00 2.09 H new ATOM 0 HB2 PRO A 100 -4.946 12.221 -0.731 1.00 2.30 H new ATOM 0 HB3 PRO A 100 -6.650 11.876 -0.955 1.00 2.30 H new ATOM 0 HG2 PRO A 100 -4.355 9.861 -0.639 1.00 2.10 H new ATOM 0 HG3 PRO A 100 -5.878 9.894 0.228 1.00 2.10 H new ATOM 0 HD2 PRO A 100 -5.554 8.342 -2.013 1.00 1.90 H new ATOM 0 HD3 PRO A 100 -7.106 9.051 -1.614 1.00 1.90 H new ATOM 1058 N VAL A 101 -3.406 10.685 -3.940 1.00 1.64 N ATOM 1059 CA VAL A 101 -1.973 10.557 -4.258 1.00 1.37 C ATOM 1060 C VAL A 101 -1.759 10.574 -5.782 1.00 1.48 C ATOM 1061 O VAL A 101 -2.447 9.871 -6.519 1.00 1.74 O ATOM 1062 CB VAL A 101 -1.408 9.297 -3.551 1.00 1.13 C ATOM 1063 CG1 VAL A 101 -0.123 8.772 -4.154 1.00 1.86 C ATOM 1064 CG2 VAL A 101 -1.168 9.572 -2.062 1.00 2.13 C ATOM 0 H VAL A 101 -3.976 9.991 -4.424 1.00 1.64 H new ATOM 0 HA VAL A 101 -1.412 11.411 -3.877 1.00 1.37 H new ATOM 0 HB VAL A 101 -2.170 8.531 -3.690 1.00 1.13 H new ATOM 0 HG11 VAL A 101 0.205 7.891 -3.602 1.00 1.86 H new ATOM 0 HG12 VAL A 101 -0.293 8.504 -5.197 1.00 1.86 H new ATOM 0 HG13 VAL A 101 0.646 9.542 -4.098 1.00 1.86 H new ATOM 0 HG21 VAL A 101 -0.772 8.675 -1.586 1.00 2.13 H new ATOM 0 HG22 VAL A 101 -0.452 10.387 -1.953 1.00 2.13 H new ATOM 0 HG23 VAL A 101 -2.109 9.850 -1.587 1.00 2.13 H new ATOM 1074 N HIS A 102 -0.805 11.375 -6.271 1.00 1.42 N ATOM 1075 CA HIS A 102 -0.542 11.570 -7.707 1.00 1.58 C ATOM 1076 C HIS A 102 0.318 10.463 -8.343 1.00 1.53 C ATOM 1077 O HIS A 102 0.158 10.202 -9.538 1.00 1.79 O ATOM 1078 CB HIS A 102 0.095 12.947 -7.949 1.00 1.66 C ATOM 1079 CG HIS A 102 -0.906 14.073 -7.946 1.00 2.17 C ATOM 1080 ND1 HIS A 102 -1.736 14.452 -8.980 1.00 2.76 N ATOM 1081 CD2 HIS A 102 -1.136 14.933 -6.910 1.00 2.95 C ATOM 1082 CE1 HIS A 102 -2.456 15.507 -8.567 1.00 3.93 C ATOM 1083 NE2 HIS A 102 -2.109 15.857 -7.312 1.00 4.14 N ATOM 0 H HIS A 102 -0.182 11.916 -5.672 1.00 1.42 H new ATOM 0 HA HIS A 102 -1.512 11.515 -8.201 1.00 1.58 H new ATOM 0 HB2 HIS A 102 0.844 13.134 -7.180 1.00 1.66 H new ATOM 0 HB3 HIS A 102 0.617 12.936 -8.906 1.00 1.66 H new ATOM 0 HD2 HIS A 102 -0.651 14.905 -5.946 1.00 2.95 H new ATOM 0 HE1 HIS A 102 -3.209 16.006 -9.158 1.00 3.93 H new ATOM 0 HE2 HIS A 102 -2.479 16.635 -6.767 1.00 4.14 H new ATOM 1091 N ALA A 103 1.197 9.810 -7.574 1.00 1.25 N ATOM 1092 CA ALA A 103 1.950 8.620 -7.989 1.00 1.18 C ATOM 1093 C ALA A 103 2.229 7.683 -6.804 1.00 0.96 C ATOM 1094 O ALA A 103 2.492 8.147 -5.695 1.00 0.86 O ATOM 1095 CB ALA A 103 3.288 9.032 -8.603 1.00 1.27 C ATOM 0 H ALA A 103 1.410 10.102 -6.620 1.00 1.25 H new ATOM 0 HA ALA A 103 1.339 8.092 -8.721 1.00 1.18 H new ATOM 0 HB1 ALA A 103 3.838 8.142 -8.907 1.00 1.27 H new ATOM 0 HB2 ALA A 103 3.110 9.664 -9.473 1.00 1.27 H new ATOM 0 HB3 ALA A 103 3.871 9.585 -7.867 1.00 1.27 H new ATOM 1101 N LEU A 104 2.226 6.370 -7.026 1.00 0.91 N ATOM 1102 CA LEU A 104 2.536 5.374 -6.013 1.00 0.75 C ATOM 1103 C LEU A 104 2.955 3.976 -6.499 1.00 0.71 C ATOM 1104 O LEU A 104 2.604 3.548 -7.598 1.00 0.86 O ATOM 1105 CB LEU A 104 1.375 5.266 -5.020 1.00 0.82 C ATOM 1106 CG LEU A 104 0.056 4.591 -5.438 1.00 0.95 C ATOM 1107 CD1 LEU A 104 -0.829 4.558 -4.190 1.00 1.07 C ATOM 1108 CD2 LEU A 104 -0.701 5.334 -6.541 1.00 1.37 C ATOM 0 H LEU A 104 2.003 5.965 -7.935 1.00 0.91 H new ATOM 0 HA LEU A 104 3.441 5.755 -5.541 1.00 0.75 H new ATOM 0 HB2 LEU A 104 1.747 4.733 -4.145 1.00 0.82 H new ATOM 0 HB3 LEU A 104 1.131 6.278 -4.697 1.00 0.82 H new ATOM 0 HG LEU A 104 0.292 3.605 -5.838 1.00 0.95 H new ATOM 0 HD11 LEU A 104 -1.782 4.087 -4.432 1.00 1.07 H new ATOM 0 HD12 LEU A 104 -0.331 3.988 -3.406 1.00 1.07 H new ATOM 0 HD13 LEU A 104 -1.005 5.576 -3.842 1.00 1.07 H new ATOM 0 HD21 LEU A 104 -1.618 4.795 -6.779 1.00 1.37 H new ATOM 0 HD22 LEU A 104 -0.948 6.339 -6.199 1.00 1.37 H new ATOM 0 HD23 LEU A 104 -0.076 5.398 -7.432 1.00 1.37 H new ATOM 1120 N ALA A 105 3.660 3.252 -5.620 1.00 0.60 N ATOM 1121 CA ALA A 105 4.057 1.849 -5.795 1.00 0.65 C ATOM 1122 C ALA A 105 3.743 0.973 -4.561 1.00 0.56 C ATOM 1123 O ALA A 105 4.118 1.332 -3.442 1.00 0.57 O ATOM 1124 CB ALA A 105 5.549 1.812 -6.150 1.00 0.85 C ATOM 0 H ALA A 105 3.982 3.642 -4.734 1.00 0.60 H new ATOM 0 HA ALA A 105 3.468 1.419 -6.605 1.00 0.65 H new ATOM 0 HB1 ALA A 105 5.865 0.778 -6.285 1.00 0.85 H new ATOM 0 HB2 ALA A 105 5.717 2.366 -7.074 1.00 0.85 H new ATOM 0 HB3 ALA A 105 6.126 2.266 -5.344 1.00 0.85 H new ATOM 1130 N ILE A 106 3.114 -0.201 -4.735 1.00 0.57 N ATOM 1131 CA ILE A 106 2.994 -1.219 -3.680 1.00 0.51 C ATOM 1132 C ILE A 106 3.931 -2.418 -3.909 1.00 0.49 C ATOM 1133 O ILE A 106 4.278 -2.756 -5.041 1.00 0.54 O ATOM 1134 CB ILE A 106 1.530 -1.675 -3.512 1.00 0.60 C ATOM 1135 CG1 ILE A 106 0.989 -2.344 -4.793 1.00 0.68 C ATOM 1136 CG2 ILE A 106 0.634 -0.498 -3.083 1.00 0.75 C ATOM 1137 CD1 ILE A 106 -0.284 -3.148 -4.561 1.00 0.86 C ATOM 0 H ILE A 106 2.673 -0.471 -5.614 1.00 0.57 H new ATOM 0 HA ILE A 106 3.312 -0.749 -2.749 1.00 0.51 H new ATOM 0 HB ILE A 106 1.510 -2.425 -2.721 1.00 0.60 H new ATOM 0 HG12 ILE A 106 0.794 -1.576 -5.541 1.00 0.68 H new ATOM 0 HG13 ILE A 106 1.756 -3.001 -5.203 1.00 0.68 H new ATOM 0 HG21 ILE A 106 -0.393 -0.845 -2.971 1.00 0.75 H new ATOM 0 HG22 ILE A 106 0.988 -0.099 -2.132 1.00 0.75 H new ATOM 0 HG23 ILE A 106 0.672 0.284 -3.841 1.00 0.75 H new ATOM 0 HD11 ILE A 106 -0.611 -3.592 -5.502 1.00 0.86 H new ATOM 0 HD12 ILE A 106 -0.088 -3.938 -3.836 1.00 0.86 H new ATOM 0 HD13 ILE A 106 -1.065 -2.491 -4.179 1.00 0.86 H new ATOM 1149 N GLN A 107 4.289 -3.099 -2.822 1.00 0.52 N ATOM 1150 CA GLN A 107 4.931 -4.419 -2.800 1.00 0.69 C ATOM 1151 C GLN A 107 4.074 -5.338 -1.912 1.00 0.72 C ATOM 1152 O GLN A 107 3.722 -4.933 -0.802 1.00 0.63 O ATOM 1153 CB GLN A 107 6.368 -4.288 -2.254 1.00 0.90 C ATOM 1154 CG GLN A 107 7.282 -3.329 -3.051 1.00 1.31 C ATOM 1155 CD GLN A 107 8.259 -2.568 -2.159 1.00 2.63 C ATOM 1156 OE1 GLN A 107 9.473 -2.672 -2.261 1.00 3.25 O ATOM 1157 NE2 GLN A 107 7.781 -1.719 -1.273 1.00 4.18 N ATOM 0 H GLN A 107 4.133 -2.730 -1.884 1.00 0.52 H new ATOM 0 HA GLN A 107 5.000 -4.842 -3.802 1.00 0.69 H new ATOM 0 HB2 GLN A 107 6.319 -3.945 -1.221 1.00 0.90 H new ATOM 0 HB3 GLN A 107 6.827 -5.276 -2.240 1.00 0.90 H new ATOM 0 HG2 GLN A 107 7.842 -3.900 -3.792 1.00 1.31 H new ATOM 0 HG3 GLN A 107 6.665 -2.616 -3.598 1.00 1.31 H new ATOM 0 HE21 GLN A 107 6.773 -1.609 -1.164 1.00 4.18 H new ATOM 0 HE22 GLN A 107 8.419 -1.171 -0.696 1.00 4.18 H new ATOM 1166 N ALA A 108 3.677 -6.522 -2.390 1.00 1.02 N ATOM 1167 CA ALA A 108 2.564 -7.303 -1.830 1.00 0.86 C ATOM 1168 C ALA A 108 2.866 -8.808 -1.727 1.00 0.77 C ATOM 1169 O ALA A 108 2.840 -9.529 -2.725 1.00 0.81 O ATOM 1170 CB ALA A 108 1.325 -7.036 -2.691 1.00 0.99 C ATOM 0 H ALA A 108 4.125 -6.973 -3.188 1.00 1.02 H new ATOM 0 HA ALA A 108 2.394 -6.983 -0.802 1.00 0.86 H new ATOM 0 HB1 ALA A 108 0.481 -7.603 -2.299 1.00 0.99 H new ATOM 0 HB2 ALA A 108 1.089 -5.972 -2.669 1.00 0.99 H new ATOM 0 HB3 ALA A 108 1.523 -7.343 -3.718 1.00 0.99 H new ATOM 1176 N ARG A 109 3.121 -9.292 -0.504 1.00 0.86 N ATOM 1177 CA ARG A 109 3.595 -10.661 -0.202 1.00 0.78 C ATOM 1178 C ARG A 109 2.746 -11.374 0.879 1.00 0.66 C ATOM 1179 O ARG A 109 1.750 -10.840 1.373 1.00 0.64 O ATOM 1180 CB ARG A 109 5.092 -10.553 0.182 1.00 1.01 C ATOM 1181 CG ARG A 109 6.108 -10.741 -0.958 1.00 1.44 C ATOM 1182 CD ARG A 109 6.204 -9.552 -1.919 1.00 1.29 C ATOM 1183 NE ARG A 109 7.333 -9.703 -2.853 1.00 1.77 N ATOM 1184 CZ ARG A 109 8.449 -8.999 -2.887 1.00 1.86 C ATOM 1185 NH1 ARG A 109 8.782 -8.157 -1.957 1.00 2.48 N ATOM 1186 NH2 ARG A 109 9.288 -9.116 -3.869 1.00 2.45 N ATOM 0 H ARG A 109 3.001 -8.726 0.336 1.00 0.86 H new ATOM 0 HA ARG A 109 3.479 -11.294 -1.081 1.00 0.78 H new ATOM 0 HB2 ARG A 109 5.259 -9.574 0.630 1.00 1.01 H new ATOM 0 HB3 ARG A 109 5.301 -11.296 0.952 1.00 1.01 H new ATOM 0 HG2 ARG A 109 7.092 -10.924 -0.526 1.00 1.44 H new ATOM 0 HG3 ARG A 109 5.839 -11.631 -1.526 1.00 1.44 H new ATOM 0 HD2 ARG A 109 5.275 -9.461 -2.481 1.00 1.29 H new ATOM 0 HD3 ARG A 109 6.323 -8.631 -1.349 1.00 1.29 H new ATOM 0 HE ARG A 109 7.242 -10.437 -3.555 1.00 1.77 H new ATOM 0 HH11 ARG A 109 8.170 -8.016 -1.154 1.00 2.48 H new ATOM 0 HH12 ARG A 109 9.656 -7.636 -2.030 1.00 2.48 H new ATOM 0 HH21 ARG A 109 9.091 -9.761 -4.634 1.00 2.45 H new ATOM 0 HH22 ARG A 109 10.145 -8.563 -3.876 1.00 2.45 H new ATOM 1200 N THR A 110 3.153 -12.581 1.276 1.00 0.67 N ATOM 1201 CA THR A 110 2.483 -13.438 2.282 1.00 0.63 C ATOM 1202 C THR A 110 3.304 -13.599 3.586 1.00 0.62 C ATOM 1203 O THR A 110 4.532 -13.413 3.595 1.00 0.63 O ATOM 1204 CB THR A 110 2.132 -14.795 1.647 1.00 0.71 C ATOM 1205 OG1 THR A 110 3.301 -15.396 1.149 1.00 0.79 O ATOM 1206 CG2 THR A 110 1.178 -14.626 0.465 1.00 0.81 C ATOM 0 H THR A 110 3.993 -13.015 0.895 1.00 0.67 H new ATOM 0 HA THR A 110 1.562 -12.941 2.587 1.00 0.63 H new ATOM 0 HB THR A 110 1.662 -15.405 2.419 1.00 0.71 H new ATOM 0 HG1 THR A 110 3.078 -16.261 0.746 1.00 0.79 H new ATOM 0 HG21 THR A 110 0.950 -15.603 0.039 1.00 0.81 H new ATOM 0 HG22 THR A 110 0.256 -14.155 0.806 1.00 0.81 H new ATOM 0 HG23 THR A 110 1.647 -14.000 -0.294 1.00 0.81 H new ATOM 1214 N PRO A 111 2.673 -13.899 4.743 1.00 0.63 N ATOM 1215 CA PRO A 111 3.383 -13.921 6.019 1.00 0.66 C ATOM 1216 C PRO A 111 4.445 -15.019 6.095 1.00 0.76 C ATOM 1217 O PRO A 111 5.540 -14.732 6.567 1.00 0.86 O ATOM 1218 CB PRO A 111 2.318 -14.076 7.105 1.00 0.68 C ATOM 1219 CG PRO A 111 1.173 -14.767 6.371 1.00 0.91 C ATOM 1220 CD PRO A 111 1.257 -14.148 4.972 1.00 0.68 C ATOM 0 HA PRO A 111 3.945 -12.996 6.150 1.00 0.66 H new ATOM 0 HB2 PRO A 111 2.680 -14.674 7.942 1.00 0.68 H new ATOM 0 HB3 PRO A 111 2.013 -13.112 7.511 1.00 0.68 H new ATOM 0 HG2 PRO A 111 1.302 -15.849 6.345 1.00 0.91 H new ATOM 0 HG3 PRO A 111 0.211 -14.572 6.844 1.00 0.91 H new ATOM 0 HD2 PRO A 111 0.850 -14.823 4.219 1.00 0.68 H new ATOM 0 HD3 PRO A 111 0.682 -13.224 4.916 1.00 0.68 H new ATOM 1228 N ALA A 112 4.211 -16.230 5.576 1.00 0.82 N ATOM 1229 CA ALA A 112 5.191 -17.312 5.711 1.00 0.96 C ATOM 1230 C ALA A 112 6.528 -17.023 4.989 1.00 0.95 C ATOM 1231 O ALA A 112 7.560 -17.573 5.381 1.00 1.10 O ATOM 1232 CB ALA A 112 4.560 -18.625 5.237 1.00 1.11 C ATOM 0 H ALA A 112 3.364 -16.483 5.066 1.00 0.82 H new ATOM 0 HA ALA A 112 5.453 -17.394 6.766 1.00 0.96 H new ATOM 0 HB1 ALA A 112 5.285 -19.433 5.335 1.00 1.11 H new ATOM 0 HB2 ALA A 112 3.683 -18.848 5.845 1.00 1.11 H new ATOM 0 HB3 ALA A 112 4.262 -18.530 4.193 1.00 1.11 H new ATOM 1238 N GLN A 113 6.538 -16.130 3.988 1.00 0.88 N ATOM 1239 CA GLN A 113 7.768 -15.552 3.428 1.00 0.95 C ATOM 1240 C GLN A 113 8.258 -14.307 4.197 1.00 0.90 C ATOM 1241 O GLN A 113 9.463 -14.220 4.432 1.00 1.05 O ATOM 1242 CB GLN A 113 7.638 -15.311 1.913 1.00 1.04 C ATOM 1243 CG GLN A 113 6.491 -14.369 1.557 1.00 0.94 C ATOM 1244 CD GLN A 113 6.420 -14.055 0.073 1.00 1.12 C ATOM 1245 OE1 GLN A 113 7.352 -13.511 -0.485 1.00 2.04 O ATOM 1246 NE2 GLN A 113 5.324 -14.329 -0.598 1.00 1.90 N ATOM 0 H GLN A 113 5.687 -15.787 3.542 1.00 0.88 H new ATOM 0 HA GLN A 113 8.554 -16.294 3.564 1.00 0.95 H new ATOM 0 HB2 GLN A 113 8.572 -14.896 1.535 1.00 1.04 H new ATOM 0 HB3 GLN A 113 7.486 -16.266 1.410 1.00 1.04 H new ATOM 0 HG2 GLN A 113 5.549 -14.817 1.874 1.00 0.94 H new ATOM 0 HG3 GLN A 113 6.605 -13.439 2.114 1.00 0.94 H new ATOM 0 HE21 GLN A 113 4.541 -14.786 -0.131 1.00 1.90 H new ATOM 0 HE22 GLN A 113 5.257 -14.085 -1.586 1.00 1.90 H new ATOM 1255 N TRP A 114 7.388 -13.382 4.658 1.00 0.76 N ATOM 1256 CA TRP A 114 7.854 -12.251 5.500 1.00 0.74 C ATOM 1257 C TRP A 114 8.576 -12.720 6.771 1.00 0.84 C ATOM 1258 O TRP A 114 9.563 -12.113 7.185 1.00 0.94 O ATOM 1259 CB TRP A 114 6.708 -11.323 5.934 1.00 0.68 C ATOM 1260 CG TRP A 114 7.162 -10.080 6.647 1.00 0.66 C ATOM 1261 CD1 TRP A 114 7.184 -9.930 7.985 1.00 0.76 C ATOM 1262 CD2 TRP A 114 7.576 -8.778 6.116 1.00 0.64 C ATOM 1263 NE1 TRP A 114 7.762 -8.727 8.321 1.00 0.71 N ATOM 1264 CE2 TRP A 114 7.979 -7.952 7.211 1.00 0.66 C ATOM 1265 CE3 TRP A 114 7.572 -8.173 4.844 1.00 0.67 C ATOM 1266 CZ2 TRP A 114 8.406 -6.626 7.056 1.00 0.76 C ATOM 1267 CZ3 TRP A 114 7.902 -6.812 4.697 1.00 0.74 C ATOM 1268 CH2 TRP A 114 8.352 -6.045 5.784 1.00 0.81 C ATOM 0 H TRP A 114 6.386 -13.390 4.470 1.00 0.76 H new ATOM 0 HA TRP A 114 8.548 -11.705 4.860 1.00 0.74 H new ATOM 0 HB2 TRP A 114 6.135 -11.035 5.053 1.00 0.68 H new ATOM 0 HB3 TRP A 114 6.033 -11.877 6.586 1.00 0.68 H new ATOM 0 HD1 TRP A 114 6.803 -10.651 8.693 1.00 0.76 H new ATOM 0 HE1 TRP A 114 7.998 -8.448 9.273 1.00 0.71 H new ATOM 0 HE3 TRP A 114 7.314 -8.758 3.974 1.00 0.67 H new ATOM 0 HZ2 TRP A 114 8.770 -6.063 7.903 1.00 0.76 H new ATOM 0 HZ3 TRP A 114 7.807 -6.348 3.727 1.00 0.74 H new ATOM 0 HH2 TRP A 114 8.653 -5.018 5.640 1.00 0.81 H new ATOM 1279 N ARG A 115 8.111 -13.825 7.368 1.00 0.89 N ATOM 1280 CA ARG A 115 8.669 -14.404 8.605 1.00 1.06 C ATOM 1281 C ARG A 115 10.105 -14.895 8.403 1.00 1.20 C ATOM 1282 O ARG A 115 10.859 -14.995 9.373 1.00 1.37 O ATOM 1283 CB ARG A 115 7.768 -15.544 9.113 1.00 1.16 C ATOM 1284 CG ARG A 115 6.331 -15.125 9.487 1.00 1.27 C ATOM 1285 CD ARG A 115 6.037 -14.837 10.964 1.00 2.02 C ATOM 1286 NE ARG A 115 6.537 -13.517 11.402 1.00 3.03 N ATOM 1287 CZ ARG A 115 7.701 -13.227 11.955 1.00 4.08 C ATOM 1288 NH1 ARG A 115 8.552 -14.131 12.345 1.00 4.85 N ATOM 1289 NH2 ARG A 115 8.049 -11.988 12.117 1.00 5.22 N ATOM 0 H ARG A 115 7.321 -14.355 7.000 1.00 0.89 H new ATOM 0 HA ARG A 115 8.699 -13.617 9.358 1.00 1.06 H new ATOM 0 HB2 ARG A 115 7.717 -16.316 8.345 1.00 1.16 H new ATOM 0 HB3 ARG A 115 8.237 -15.995 9.987 1.00 1.16 H new ATOM 0 HG2 ARG A 115 6.082 -14.232 8.915 1.00 1.27 H new ATOM 0 HG3 ARG A 115 5.655 -15.914 9.157 1.00 1.27 H new ATOM 0 HD2 ARG A 115 4.961 -14.887 11.132 1.00 2.02 H new ATOM 0 HD3 ARG A 115 6.491 -15.614 11.578 1.00 2.02 H new ATOM 0 HE ARG A 115 5.903 -12.731 11.259 1.00 3.03 H new ATOM 0 HH11 ARG A 115 8.334 -15.121 12.229 1.00 4.85 H new ATOM 0 HH12 ARG A 115 9.437 -13.850 12.766 1.00 4.85 H new ATOM 0 HH21 ARG A 115 7.424 -11.239 11.818 1.00 5.22 H new ATOM 0 HH22 ARG A 115 8.947 -11.762 12.544 1.00 5.22 H new ATOM 1303 N GLU A 116 10.497 -15.180 7.159 1.00 1.29 N ATOM 1304 CA GLU A 116 11.895 -15.379 6.779 1.00 1.65 C ATOM 1305 C GLU A 116 12.540 -14.054 6.325 1.00 1.85 C ATOM 1306 O GLU A 116 13.294 -13.466 7.104 1.00 2.43 O ATOM 1307 CB GLU A 116 11.972 -16.516 5.741 1.00 1.88 C ATOM 1308 CG GLU A 116 11.667 -17.880 6.393 1.00 2.11 C ATOM 1309 CD GLU A 116 11.708 -19.067 5.420 1.00 2.25 C ATOM 1310 OE1 GLU A 116 10.795 -19.930 5.485 1.00 2.91 O ATOM 1311 OE2 GLU A 116 12.680 -19.194 4.634 1.00 2.96 O ATOM 0 H GLU A 116 9.845 -15.280 6.381 1.00 1.29 H new ATOM 0 HA GLU A 116 12.487 -15.692 7.639 1.00 1.65 H new ATOM 0 HB2 GLU A 116 11.262 -16.327 4.936 1.00 1.88 H new ATOM 0 HB3 GLU A 116 12.965 -16.537 5.292 1.00 1.88 H new ATOM 0 HG2 GLU A 116 12.386 -18.056 7.193 1.00 2.11 H new ATOM 0 HG3 GLU A 116 10.680 -17.837 6.854 1.00 2.11 H new ATOM 1318 N ASN A 117 12.174 -13.503 5.157 1.00 1.62 N ATOM 1319 CA ASN A 117 12.364 -12.077 4.829 1.00 2.27 C ATOM 1320 C ASN A 117 11.318 -11.536 3.828 1.00 1.96 C ATOM 1321 O ASN A 117 10.775 -10.444 4.021 1.00 3.03 O ATOM 1322 CB ASN A 117 13.801 -11.912 4.282 1.00 3.18 C ATOM 1323 CG ASN A 117 14.136 -10.496 3.839 1.00 4.03 C ATOM 1324 OD1 ASN A 117 14.543 -9.646 4.627 1.00 4.90 O ATOM 1325 ND2 ASN A 117 13.960 -10.189 2.575 1.00 4.35 N ATOM 0 H ASN A 117 11.735 -14.036 4.407 1.00 1.62 H new ATOM 0 HA ASN A 117 12.220 -11.485 5.733 1.00 2.27 H new ATOM 0 HB2 ASN A 117 14.509 -12.218 5.052 1.00 3.18 H new ATOM 0 HB3 ASN A 117 13.937 -12.588 3.438 1.00 3.18 H new ATOM 0 HD21 ASN A 117 14.161 -9.244 2.247 1.00 4.35 H new ATOM 0 HD22 ASN A 117 13.622 -10.895 1.921 1.00 4.35 H new ATOM 1332 N SER A 118 11.067 -12.316 2.765 1.00 1.76 N ATOM 1333 CA SER A 118 10.216 -12.125 1.560 1.00 2.43 C ATOM 1334 C SER A 118 10.891 -12.855 0.384 1.00 2.65 C ATOM 1335 O SER A 118 12.102 -12.722 0.207 1.00 3.66 O ATOM 1336 CB SER A 118 10.042 -10.662 1.121 1.00 3.26 C ATOM 1337 OG SER A 118 9.159 -10.000 2.005 1.00 4.04 O ATOM 0 H SER A 118 11.518 -13.229 2.717 1.00 1.76 H new ATOM 0 HA SER A 118 9.230 -12.509 1.823 1.00 2.43 H new ATOM 0 HB2 SER A 118 11.008 -10.158 1.112 1.00 3.26 H new ATOM 0 HB3 SER A 118 9.652 -10.622 0.104 1.00 3.26 H new ATOM 0 HG SER A 118 9.599 -9.871 2.871 1.00 4.04 H new TER 1343 SER A 118