USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 535 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 34 TYR OH : rot 130:sc= 0.878 USER MOD Set 1.2: A 36 SER OG : rot 83:sc= 1.02 USER MOD Set 2.1: A 28 LYS NZ :NH3+ 144:sc= 1.07 (180deg=0) USER MOD Set 2.2: A 29 HIS : no HE2:sc= 0.981 K(o=3.2,f=-12!) USER MOD Set 2.3: A 61 THR OG1 : rot 77:sc= 1.15 USER MOD Set 3.1: A 21 LYS NZ :NH3+ -170:sc= 0.92 (180deg=-0.00493) USER MOD Set 3.2: A 25 SER OG : rot -36:sc= 0.89 USER MOD Single : A 13 MET CE :methyl -175:sc= -0.839 (180deg=-0.868) USER MOD Single : A 14 THR OG1 : rot -54:sc= 0.16 USER MOD Single : A 15 CYS SG : rot -26:sc= 0.053 USER MOD Single : A 17 SER OG : rot 180:sc= 0.117 USER MOD Single : A 18 CYS SG : rot -114:sc= -1.93! USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.157 F(o=-1.1,f=-0.16) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 8:sc= 0.755 USER MOD Single : A 35 CYS SG : rot 70:sc= -0.726 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0475 USER MOD Single : A 42 ASN : amide:sc= 0.57 K(o=0.57,f=-0.15) USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.19) USER MOD Single : A 45 HIS : no HE2:sc= -1.67 X(o=-1.7,f=-1.2) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.91 K(o=1.9,f=-12!) USER MOD Single : A 64 SER OG : rot 82:sc= 1.18 USER MOD Single : A 70 SER OG : rot 68:sc= 0.754 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 9.481 -4.796 2.956 1.00 1.02 N ATOM 47 CA VAL A 5 8.406 -3.823 2.847 1.00 1.00 C ATOM 48 C VAL A 5 8.496 -3.117 1.496 1.00 1.05 C ATOM 49 O VAL A 5 9.598 -2.879 1.001 1.00 1.46 O ATOM 50 CB VAL A 5 8.434 -2.826 4.026 1.00 1.29 C ATOM 51 CG1 VAL A 5 8.637 -3.531 5.376 1.00 1.57 C ATOM 52 CG2 VAL A 5 9.515 -1.746 3.883 1.00 2.40 C ATOM 0 HA VAL A 5 7.447 -4.338 2.901 1.00 1.00 H new ATOM 0 HB VAL A 5 7.455 -2.347 4.000 1.00 1.29 H new ATOM 0 HG11 VAL A 5 8.650 -2.790 6.175 1.00 1.57 H new ATOM 0 HG12 VAL A 5 7.821 -4.234 5.546 1.00 1.57 H new ATOM 0 HG13 VAL A 5 9.584 -4.070 5.366 1.00 1.57 H new ATOM 0 HG21 VAL A 5 9.479 -1.079 4.745 1.00 2.40 H new ATOM 0 HG22 VAL A 5 10.496 -2.218 3.830 1.00 2.40 H new ATOM 0 HG23 VAL A 5 9.338 -1.173 2.973 1.00 2.40 H new ATOM 62 N LEU A 6 7.346 -2.760 0.923 1.00 0.92 N ATOM 63 CA LEU A 6 7.249 -1.878 -0.229 1.00 0.98 C ATOM 64 C LEU A 6 6.704 -0.555 0.305 1.00 0.79 C ATOM 65 O LEU A 6 5.570 -0.518 0.781 1.00 1.00 O ATOM 66 CB LEU A 6 6.314 -2.501 -1.284 1.00 1.24 C ATOM 67 CG LEU A 6 6.445 -1.967 -2.721 1.00 1.37 C ATOM 68 CD1 LEU A 6 6.382 -0.441 -2.811 1.00 2.47 C ATOM 69 CD2 LEU A 6 7.722 -2.475 -3.402 1.00 1.83 C ATOM 0 H LEU A 6 6.439 -3.086 1.258 1.00 0.92 H new ATOM 0 HA LEU A 6 8.210 -1.723 -0.719 1.00 0.98 H new ATOM 0 HB2 LEU A 6 6.490 -3.577 -1.303 1.00 1.24 H new ATOM 0 HB3 LEU A 6 5.285 -2.352 -0.958 1.00 1.24 H new ATOM 0 HG LEU A 6 5.577 -2.359 -3.251 1.00 1.37 H new ATOM 0 HD11 LEU A 6 6.481 -0.134 -3.852 1.00 2.47 H new ATOM 0 HD12 LEU A 6 5.427 -0.093 -2.419 1.00 2.47 H new ATOM 0 HD13 LEU A 6 7.194 -0.008 -2.226 1.00 2.47 H new ATOM 0 HD21 LEU A 6 7.778 -2.076 -4.415 1.00 1.83 H new ATOM 0 HD22 LEU A 6 8.592 -2.147 -2.834 1.00 1.83 H new ATOM 0 HD23 LEU A 6 7.705 -3.564 -3.442 1.00 1.83 H new ATOM 81 N GLU A 7 7.498 0.518 0.248 1.00 0.61 N ATOM 82 CA GLU A 7 6.982 1.865 0.422 1.00 0.62 C ATOM 83 C GLU A 7 6.647 2.424 -0.951 1.00 0.67 C ATOM 84 O GLU A 7 7.540 2.555 -1.791 1.00 0.92 O ATOM 85 CB GLU A 7 7.998 2.797 1.073 1.00 0.71 C ATOM 86 CG GLU A 7 8.533 2.337 2.428 1.00 0.77 C ATOM 87 CD GLU A 7 9.537 3.367 2.911 1.00 1.32 C ATOM 88 OE1 GLU A 7 9.093 4.521 3.108 1.00 1.86 O ATOM 89 OE2 GLU A 7 10.733 3.011 2.970 1.00 2.59 O ATOM 0 H GLU A 7 8.503 0.472 0.082 1.00 0.61 H new ATOM 0 HA GLU A 7 6.109 1.808 1.072 1.00 0.62 H new ATOM 0 HB2 GLU A 7 8.840 2.922 0.392 1.00 0.71 H new ATOM 0 HB3 GLU A 7 7.539 3.778 1.196 1.00 0.71 H new ATOM 0 HG2 GLU A 7 7.718 2.234 3.144 1.00 0.77 H new ATOM 0 HG3 GLU A 7 9.004 1.358 2.339 1.00 0.77 H new ATOM 96 N LEU A 8 5.388 2.795 -1.160 1.00 0.57 N ATOM 97 CA LEU A 8 4.968 3.543 -2.328 1.00 0.59 C ATOM 98 C LEU A 8 4.319 4.838 -1.830 1.00 0.55 C ATOM 99 O LEU A 8 3.880 4.924 -0.681 1.00 0.70 O ATOM 100 CB LEU A 8 4.121 2.651 -3.265 1.00 0.65 C ATOM 101 CG LEU A 8 3.018 1.818 -2.585 1.00 0.65 C ATOM 102 CD1 LEU A 8 1.764 2.663 -2.387 1.00 1.65 C ATOM 103 CD2 LEU A 8 2.654 0.611 -3.452 1.00 1.55 C ATOM 0 H LEU A 8 4.628 2.580 -0.515 1.00 0.57 H new ATOM 0 HA LEU A 8 5.798 3.844 -2.967 1.00 0.59 H new ATOM 0 HB2 LEU A 8 3.657 3.287 -4.019 1.00 0.65 H new ATOM 0 HB3 LEU A 8 4.791 1.971 -3.791 1.00 0.65 H new ATOM 0 HG LEU A 8 3.396 1.482 -1.620 1.00 0.65 H new ATOM 0 HD11 LEU A 8 0.993 2.062 -1.906 1.00 1.65 H new ATOM 0 HD12 LEU A 8 2.000 3.522 -1.759 1.00 1.65 H new ATOM 0 HD13 LEU A 8 1.402 3.010 -3.355 1.00 1.65 H new ATOM 0 HD21 LEU A 8 1.873 0.031 -2.959 1.00 1.55 H new ATOM 0 HD22 LEU A 8 2.293 0.955 -4.421 1.00 1.55 H new ATOM 0 HD23 LEU A 8 3.536 -0.014 -3.594 1.00 1.55 H new ATOM 115 N VAL A 9 4.333 5.877 -2.660 1.00 0.64 N ATOM 116 CA VAL A 9 3.611 7.116 -2.433 1.00 0.64 C ATOM 117 C VAL A 9 2.336 7.027 -3.264 1.00 0.65 C ATOM 118 O VAL A 9 2.337 6.394 -4.313 1.00 0.72 O ATOM 119 CB VAL A 9 4.511 8.316 -2.786 1.00 0.73 C ATOM 120 CG1 VAL A 9 3.749 9.591 -3.171 1.00 0.85 C ATOM 121 CG2 VAL A 9 5.397 8.638 -1.574 1.00 0.81 C ATOM 0 H VAL A 9 4.863 5.876 -3.532 1.00 0.64 H new ATOM 0 HA VAL A 9 3.336 7.265 -1.389 1.00 0.64 H new ATOM 0 HB VAL A 9 5.086 8.017 -3.662 1.00 0.73 H new ATOM 0 HG11 VAL A 9 4.460 10.384 -3.403 1.00 0.85 H new ATOM 0 HG12 VAL A 9 3.127 9.394 -4.044 1.00 0.85 H new ATOM 0 HG13 VAL A 9 3.117 9.903 -2.339 1.00 0.85 H new ATOM 0 HG21 VAL A 9 6.040 9.486 -1.809 1.00 0.81 H new ATOM 0 HG22 VAL A 9 4.768 8.885 -0.719 1.00 0.81 H new ATOM 0 HG23 VAL A 9 6.013 7.771 -1.333 1.00 0.81 H new ATOM 131 N VAL A 10 1.255 7.619 -2.768 1.00 0.75 N ATOM 132 CA VAL A 10 -0.072 7.659 -3.365 1.00 0.84 C ATOM 133 C VAL A 10 -0.568 9.092 -3.159 1.00 0.89 C ATOM 134 O VAL A 10 -0.015 9.799 -2.321 1.00 1.60 O ATOM 135 CB VAL A 10 -1.000 6.665 -2.644 1.00 0.94 C ATOM 136 CG1 VAL A 10 -0.830 5.250 -3.193 1.00 1.23 C ATOM 137 CG2 VAL A 10 -0.750 6.612 -1.136 1.00 1.26 C ATOM 0 H VAL A 10 1.286 8.117 -1.878 1.00 0.75 H new ATOM 0 HA VAL A 10 -0.056 7.385 -4.420 1.00 0.84 H new ATOM 0 HB VAL A 10 -2.011 7.028 -2.826 1.00 0.94 H new ATOM 0 HG11 VAL A 10 -1.499 4.571 -2.663 1.00 1.23 H new ATOM 0 HG12 VAL A 10 -1.071 5.241 -4.256 1.00 1.23 H new ATOM 0 HG13 VAL A 10 0.201 4.926 -3.052 1.00 1.23 H new ATOM 0 HG21 VAL A 10 -1.432 5.895 -0.679 1.00 1.26 H new ATOM 0 HG22 VAL A 10 0.279 6.304 -0.948 1.00 1.26 H new ATOM 0 HG23 VAL A 10 -0.918 7.599 -0.704 1.00 1.26 H new ATOM 147 N ARG A 11 -1.607 9.537 -3.869 1.00 1.22 N ATOM 148 CA ARG A 11 -2.219 10.841 -3.641 1.00 1.26 C ATOM 149 C ARG A 11 -3.729 10.707 -3.839 1.00 1.36 C ATOM 150 O ARG A 11 -4.188 9.704 -4.383 1.00 1.49 O ATOM 151 CB ARG A 11 -1.616 11.896 -4.583 1.00 1.48 C ATOM 152 CG ARG A 11 -0.132 12.154 -4.274 1.00 1.64 C ATOM 153 CD ARG A 11 0.443 13.344 -5.052 1.00 2.08 C ATOM 154 NE ARG A 11 0.535 13.049 -6.492 1.00 2.40 N ATOM 155 CZ ARG A 11 1.216 13.765 -7.399 1.00 3.17 C ATOM 156 NH1 ARG A 11 1.797 14.912 -7.030 1.00 3.86 N ATOM 157 NH2 ARG A 11 1.322 13.342 -8.661 1.00 4.21 N ATOM 0 H ARG A 11 -2.045 9.001 -4.618 1.00 1.22 H new ATOM 0 HA ARG A 11 -2.020 11.176 -2.623 1.00 1.26 H new ATOM 0 HB2 ARG A 11 -1.720 11.563 -5.616 1.00 1.48 H new ATOM 0 HB3 ARG A 11 -2.174 12.828 -4.490 1.00 1.48 H new ATOM 0 HG2 ARG A 11 -0.015 12.335 -3.205 1.00 1.64 H new ATOM 0 HG3 ARG A 11 0.444 11.259 -4.511 1.00 1.64 H new ATOM 0 HD2 ARG A 11 -0.187 14.220 -4.898 1.00 2.08 H new ATOM 0 HD3 ARG A 11 1.432 13.590 -4.665 1.00 2.08 H new ATOM 0 HE ARG A 11 0.036 12.226 -6.830 1.00 2.40 H new ATOM 0 HH11 ARG A 11 1.720 15.235 -6.066 1.00 3.86 H new ATOM 0 HH12 ARG A 11 2.317 15.463 -7.713 1.00 3.86 H new ATOM 0 HH21 ARG A 11 0.883 12.466 -8.944 1.00 4.21 H new ATOM 0 HH22 ARG A 11 1.842 13.895 -9.342 1.00 4.21 H new ATOM 171 N GLY A 12 -4.480 11.711 -3.376 1.00 1.44 N ATOM 172 CA GLY A 12 -5.923 11.818 -3.511 1.00 1.66 C ATOM 173 C GLY A 12 -6.549 11.775 -2.123 1.00 1.66 C ATOM 174 O GLY A 12 -6.766 12.813 -1.500 1.00 2.42 O ATOM 0 H GLY A 12 -4.074 12.502 -2.876 1.00 1.44 H new ATOM 0 HA2 GLY A 12 -6.187 12.747 -4.016 1.00 1.66 H new ATOM 0 HA3 GLY A 12 -6.307 11.002 -4.124 1.00 1.66 H new ATOM 178 N MET A 13 -6.795 10.560 -1.632 1.00 1.83 N ATOM 179 CA MET A 13 -7.503 10.301 -0.386 1.00 1.98 C ATOM 180 C MET A 13 -8.858 11.029 -0.323 1.00 3.05 C ATOM 181 O MET A 13 -9.439 11.360 -1.354 1.00 4.78 O ATOM 182 CB MET A 13 -6.595 10.532 0.835 1.00 2.30 C ATOM 183 CG MET A 13 -5.267 9.773 0.734 1.00 1.90 C ATOM 184 SD MET A 13 -3.914 10.666 -0.073 1.00 3.52 S ATOM 185 CE MET A 13 -2.661 9.374 -0.039 1.00 2.19 C ATOM 0 H MET A 13 -6.497 9.707 -2.106 1.00 1.83 H new ATOM 0 HA MET A 13 -7.762 9.243 -0.358 1.00 1.98 H new ATOM 0 HB2 MET A 13 -6.393 11.598 0.936 1.00 2.30 H new ATOM 0 HB3 MET A 13 -7.120 10.220 1.738 1.00 2.30 H new ATOM 0 HG2 MET A 13 -4.948 9.499 1.740 1.00 1.90 H new ATOM 0 HG3 MET A 13 -5.440 8.844 0.190 1.00 1.90 H new ATOM 0 HE1 MET A 13 -1.719 9.771 -0.417 1.00 2.19 H new ATOM 0 HE2 MET A 13 -2.524 9.027 0.985 1.00 2.19 H new ATOM 0 HE3 MET A 13 -2.981 8.540 -0.664 1.00 2.19 H new ATOM 195 N THR A 14 -9.385 11.245 0.886 1.00 2.63 N ATOM 196 CA THR A 14 -10.651 11.931 1.117 1.00 3.57 C ATOM 197 C THR A 14 -10.698 12.399 2.571 1.00 2.98 C ATOM 198 O THR A 14 -11.605 12.044 3.321 1.00 4.36 O ATOM 199 CB THR A 14 -11.849 11.043 0.723 1.00 4.76 C ATOM 200 OG1 THR A 14 -13.057 11.744 0.924 1.00 5.65 O ATOM 201 CG2 THR A 14 -11.935 9.726 1.507 1.00 5.24 C ATOM 0 H THR A 14 -8.931 10.940 1.747 1.00 2.63 H new ATOM 0 HA THR A 14 -10.723 12.811 0.478 1.00 3.57 H new ATOM 0 HB THR A 14 -11.693 10.795 -0.327 1.00 4.76 H new ATOM 0 HG1 THR A 14 -13.091 12.080 1.844 1.00 5.65 H new ATOM 0 HG21 THR A 14 -12.803 9.159 1.172 1.00 5.24 H new ATOM 0 HG22 THR A 14 -11.031 9.141 1.336 1.00 5.24 H new ATOM 0 HG23 THR A 14 -12.031 9.942 2.571 1.00 5.24 H new ATOM 209 N CYS A 15 -9.688 13.171 2.982 1.00 1.63 N ATOM 210 CA CYS A 15 -9.583 13.801 4.298 1.00 1.86 C ATOM 211 C CYS A 15 -9.221 12.822 5.415 1.00 1.95 C ATOM 212 O CYS A 15 -8.383 13.146 6.251 1.00 3.55 O ATOM 213 CB CYS A 15 -10.847 14.582 4.672 1.00 2.83 C ATOM 214 SG CYS A 15 -10.470 15.600 6.122 1.00 4.14 S ATOM 0 H CYS A 15 -8.890 13.382 2.382 1.00 1.63 H new ATOM 0 HA CYS A 15 -8.756 14.505 4.204 1.00 1.86 H new ATOM 0 HB2 CYS A 15 -11.168 15.209 3.840 1.00 2.83 H new ATOM 0 HB3 CYS A 15 -11.667 13.898 4.890 1.00 2.83 H new ATOM 0 HG CYS A 15 -9.504 15.052 6.798 1.00 4.14 H new ATOM 220 N ALA A 16 -9.865 11.652 5.466 1.00 1.06 N ATOM 221 CA ALA A 16 -9.603 10.651 6.492 1.00 1.01 C ATOM 222 C ALA A 16 -9.788 9.238 5.940 1.00 0.89 C ATOM 223 O ALA A 16 -8.812 8.515 5.756 1.00 1.74 O ATOM 224 CB ALA A 16 -10.497 10.911 7.710 1.00 1.23 C ATOM 0 H ALA A 16 -10.582 11.377 4.795 1.00 1.06 H new ATOM 0 HA ALA A 16 -8.564 10.731 6.810 1.00 1.01 H new ATOM 0 HB1 ALA A 16 -10.298 10.160 8.475 1.00 1.23 H new ATOM 0 HB2 ALA A 16 -10.286 11.902 8.111 1.00 1.23 H new ATOM 0 HB3 ALA A 16 -11.544 10.856 7.411 1.00 1.23 H new ATOM 230 N SER A 17 -11.037 8.839 5.683 1.00 0.62 N ATOM 231 CA SER A 17 -11.469 7.460 5.496 1.00 0.59 C ATOM 232 C SER A 17 -10.531 6.613 4.632 1.00 0.62 C ATOM 233 O SER A 17 -10.221 5.476 4.980 1.00 0.75 O ATOM 234 CB SER A 17 -12.891 7.493 4.929 1.00 0.92 C ATOM 235 OG SER A 17 -13.590 8.569 5.535 1.00 1.65 O ATOM 0 H SER A 17 -11.806 9.503 5.597 1.00 0.62 H new ATOM 0 HA SER A 17 -11.446 6.962 6.465 1.00 0.59 H new ATOM 0 HB2 SER A 17 -12.865 7.619 3.847 1.00 0.92 H new ATOM 0 HB3 SER A 17 -13.400 6.550 5.128 1.00 0.92 H new ATOM 0 HG SER A 17 -14.503 8.606 5.182 1.00 1.65 H new ATOM 241 N CYS A 18 -10.062 7.170 3.513 1.00 0.64 N ATOM 242 CA CYS A 18 -9.153 6.481 2.594 1.00 0.77 C ATOM 243 C CYS A 18 -7.989 5.802 3.322 1.00 0.60 C ATOM 244 O CYS A 18 -7.601 4.698 2.948 1.00 0.63 O ATOM 245 CB CYS A 18 -8.651 7.443 1.516 1.00 0.97 C ATOM 246 SG CYS A 18 -9.751 7.366 0.080 1.00 1.78 S ATOM 0 H CYS A 18 -10.303 8.116 3.218 1.00 0.64 H new ATOM 0 HA CYS A 18 -9.720 5.685 2.111 1.00 0.77 H new ATOM 0 HB2 CYS A 18 -8.617 8.460 1.908 1.00 0.97 H new ATOM 0 HB3 CYS A 18 -7.634 7.180 1.224 1.00 0.97 H new ATOM 0 HG CYS A 18 -9.103 6.881 -0.937 1.00 1.78 H new ATOM 252 N VAL A 19 -7.460 6.425 4.380 1.00 0.50 N ATOM 253 CA VAL A 19 -6.436 5.837 5.230 1.00 0.45 C ATOM 254 C VAL A 19 -6.842 4.425 5.663 1.00 0.53 C ATOM 255 O VAL A 19 -6.170 3.440 5.344 1.00 0.65 O ATOM 256 CB VAL A 19 -6.184 6.749 6.447 1.00 0.52 C ATOM 257 CG1 VAL A 19 -5.232 6.128 7.480 1.00 0.69 C ATOM 258 CG2 VAL A 19 -5.599 8.090 5.989 1.00 0.57 C ATOM 0 H VAL A 19 -7.739 7.363 4.668 1.00 0.50 H new ATOM 0 HA VAL A 19 -5.507 5.752 4.667 1.00 0.45 H new ATOM 0 HB VAL A 19 -7.152 6.889 6.927 1.00 0.52 H new ATOM 0 HG11 VAL A 19 -5.096 6.820 8.311 1.00 0.69 H new ATOM 0 HG12 VAL A 19 -5.656 5.194 7.850 1.00 0.69 H new ATOM 0 HG13 VAL A 19 -4.268 5.929 7.013 1.00 0.69 H new ATOM 0 HG21 VAL A 19 -5.425 8.726 6.857 1.00 0.57 H new ATOM 0 HG22 VAL A 19 -4.656 7.917 5.471 1.00 0.57 H new ATOM 0 HG23 VAL A 19 -6.300 8.581 5.314 1.00 0.57 H new ATOM 268 N HIS A 20 -7.961 4.330 6.386 1.00 0.59 N ATOM 269 CA HIS A 20 -8.424 3.070 6.926 1.00 0.78 C ATOM 270 C HIS A 20 -8.858 2.166 5.773 1.00 0.85 C ATOM 271 O HIS A 20 -8.738 0.949 5.874 1.00 1.00 O ATOM 272 CB HIS A 20 -9.499 3.327 7.999 1.00 0.83 C ATOM 273 CG HIS A 20 -10.865 2.749 7.734 1.00 0.89 C ATOM 274 ND1 HIS A 20 -11.672 3.003 6.657 1.00 1.23 N flip ATOM 275 CD2 HIS A 20 -11.545 1.892 8.565 1.00 0.82 C flip ATOM 276 CE1 HIS A 20 -12.854 2.283 6.819 1.00 1.33 C flip ATOM 277 NE2 HIS A 20 -12.729 1.635 7.987 1.00 1.09 N flip ATOM 0 H HIS A 20 -8.561 5.125 6.607 1.00 0.59 H new ATOM 0 HA HIS A 20 -7.629 2.534 7.444 1.00 0.78 H new ATOM 0 HB2 HIS A 20 -9.138 2.928 8.947 1.00 0.83 H new ATOM 0 HB3 HIS A 20 -9.603 4.405 8.126 1.00 0.83 H new ATOM 0 HD2 HIS A 20 -11.193 1.499 9.507 1.00 0.82 H new ATOM 0 HE1 HIS A 20 -13.696 2.253 6.144 1.00 1.33 H new ATOM 0 HE2 HIS A 20 -13.443 1.025 8.385 1.00 1.09 H new ATOM 285 N LYS A 21 -9.345 2.751 4.670 1.00 0.81 N ATOM 286 CA LYS A 21 -9.734 1.971 3.509 1.00 0.99 C ATOM 287 C LYS A 21 -8.523 1.190 3.032 1.00 1.01 C ATOM 288 O LYS A 21 -8.607 -0.018 2.862 1.00 1.32 O ATOM 289 CB LYS A 21 -10.278 2.843 2.366 1.00 1.04 C ATOM 290 CG LYS A 21 -11.357 2.140 1.518 1.00 1.39 C ATOM 291 CD LYS A 21 -10.943 0.732 1.051 1.00 2.15 C ATOM 292 CE LYS A 21 -11.898 0.151 -0.005 1.00 2.71 C ATOM 293 NZ LYS A 21 -11.639 -1.285 -0.275 1.00 4.52 N ATOM 0 H LYS A 21 -9.475 3.757 4.567 1.00 0.81 H new ATOM 0 HA LYS A 21 -10.542 1.301 3.802 1.00 0.99 H new ATOM 0 HB2 LYS A 21 -10.695 3.759 2.785 1.00 1.04 H new ATOM 0 HB3 LYS A 21 -9.452 3.136 1.718 1.00 1.04 H new ATOM 0 HG2 LYS A 21 -12.276 2.067 2.100 1.00 1.39 H new ATOM 0 HG3 LYS A 21 -11.580 2.754 0.645 1.00 1.39 H new ATOM 0 HD2 LYS A 21 -9.934 0.772 0.640 1.00 2.15 H new ATOM 0 HD3 LYS A 21 -10.910 0.064 1.911 1.00 2.15 H new ATOM 0 HE2 LYS A 21 -12.927 0.274 0.333 1.00 2.71 H new ATOM 0 HE3 LYS A 21 -11.797 0.716 -0.932 1.00 2.71 H new ATOM 0 HZ1 LYS A 21 -12.187 -1.586 -1.106 1.00 4.52 H new ATOM 0 HZ2 LYS A 21 -10.625 -1.426 -0.459 1.00 4.52 H new ATOM 0 HZ3 LYS A 21 -11.923 -1.850 0.551 1.00 4.52 H new ATOM 307 N ILE A 22 -7.405 1.873 2.792 1.00 0.69 N ATOM 308 CA ILE A 22 -6.243 1.235 2.204 1.00 0.55 C ATOM 309 C ILE A 22 -5.763 0.156 3.164 1.00 0.54 C ATOM 310 O ILE A 22 -5.582 -0.984 2.744 1.00 0.60 O ATOM 311 CB ILE A 22 -5.125 2.234 1.871 1.00 0.46 C ATOM 312 CG1 ILE A 22 -5.538 3.239 0.792 1.00 0.44 C ATOM 313 CG2 ILE A 22 -3.944 1.427 1.324 1.00 0.52 C ATOM 314 CD1 ILE A 22 -4.668 4.502 0.807 1.00 0.70 C ATOM 0 H ILE A 22 -7.286 2.865 2.997 1.00 0.69 H new ATOM 0 HA ILE A 22 -6.525 0.791 1.249 1.00 0.55 H new ATOM 0 HB ILE A 22 -4.883 2.792 2.776 1.00 0.46 H new ATOM 0 HG12 ILE A 22 -5.470 2.765 -0.187 1.00 0.44 H new ATOM 0 HG13 ILE A 22 -6.581 3.518 0.939 1.00 0.44 H new ATOM 0 HG21 ILE A 22 -3.126 2.103 1.075 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -3.609 0.715 2.078 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -4.255 0.888 0.429 1.00 0.52 H new ATOM 0 HD11 ILE A 22 -5.001 5.183 0.023 1.00 0.70 H new ATOM 0 HD12 ILE A 22 -4.756 4.993 1.776 1.00 0.70 H new ATOM 0 HD13 ILE A 22 -3.627 4.229 0.632 1.00 0.70 H new ATOM 326 N GLU A 23 -5.597 0.516 4.441 1.00 0.56 N ATOM 327 CA GLU A 23 -5.215 -0.427 5.483 1.00 0.56 C ATOM 328 C GLU A 23 -6.092 -1.680 5.384 1.00 0.49 C ATOM 329 O GLU A 23 -5.615 -2.767 5.053 1.00 0.45 O ATOM 330 CB GLU A 23 -5.284 0.258 6.862 1.00 0.69 C ATOM 331 CG GLU A 23 -4.118 -0.169 7.771 1.00 1.06 C ATOM 332 CD GLU A 23 -4.190 -1.639 8.177 1.00 2.93 C ATOM 333 OE1 GLU A 23 -5.320 -2.066 8.493 1.00 3.99 O ATOM 334 OE2 GLU A 23 -3.130 -2.304 8.165 1.00 4.12 O ATOM 0 H GLU A 23 -5.725 1.471 4.776 1.00 0.56 H new ATOM 0 HA GLU A 23 -4.182 -0.749 5.348 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -5.266 1.340 6.732 1.00 0.69 H new ATOM 0 HB3 GLU A 23 -6.230 0.011 7.344 1.00 0.69 H new ATOM 0 HG2 GLU A 23 -3.176 0.015 7.255 1.00 1.06 H new ATOM 0 HG3 GLU A 23 -4.117 0.451 8.668 1.00 1.06 H new ATOM 341 N SER A 24 -7.401 -1.475 5.543 1.00 0.51 N ATOM 342 CA SER A 24 -8.391 -2.543 5.611 1.00 0.52 C ATOM 343 C SER A 24 -8.335 -3.405 4.346 1.00 0.55 C ATOM 344 O SER A 24 -8.322 -4.636 4.390 1.00 0.69 O ATOM 345 CB SER A 24 -9.779 -1.921 5.817 1.00 0.56 C ATOM 346 OG SER A 24 -10.781 -2.915 5.909 1.00 1.48 O ATOM 0 H SER A 24 -7.807 -0.543 5.629 1.00 0.51 H new ATOM 0 HA SER A 24 -8.176 -3.200 6.454 1.00 0.52 H new ATOM 0 HB2 SER A 24 -9.778 -1.318 6.725 1.00 0.56 H new ATOM 0 HB3 SER A 24 -10.005 -1.250 4.989 1.00 0.56 H new ATOM 0 HG SER A 24 -11.653 -2.489 6.041 1.00 1.48 H new ATOM 352 N SER A 25 -8.308 -2.727 3.200 1.00 0.50 N ATOM 353 CA SER A 25 -8.364 -3.314 1.875 1.00 0.48 C ATOM 354 C SER A 25 -7.064 -4.046 1.548 1.00 0.47 C ATOM 355 O SER A 25 -7.087 -4.937 0.700 1.00 0.73 O ATOM 356 CB SER A 25 -8.683 -2.204 0.867 1.00 0.57 C ATOM 357 OG SER A 25 -9.318 -2.661 -0.316 1.00 0.85 O ATOM 0 H SER A 25 -8.244 -1.709 3.176 1.00 0.50 H new ATOM 0 HA SER A 25 -9.152 -4.065 1.826 1.00 0.48 H new ATOM 0 HB2 SER A 25 -9.323 -1.464 1.348 1.00 0.57 H new ATOM 0 HB3 SER A 25 -7.757 -1.696 0.597 1.00 0.57 H new ATOM 0 HG SER A 25 -8.956 -3.537 -0.564 1.00 0.85 H new ATOM 363 N LEU A 26 -5.945 -3.685 2.189 1.00 0.40 N ATOM 364 CA LEU A 26 -4.704 -4.437 2.086 1.00 0.44 C ATOM 365 C LEU A 26 -4.723 -5.655 3.005 1.00 0.44 C ATOM 366 O LEU A 26 -4.319 -6.742 2.583 1.00 0.53 O ATOM 367 CB LEU A 26 -3.480 -3.548 2.327 1.00 0.52 C ATOM 368 CG LEU A 26 -2.867 -3.177 0.969 1.00 0.72 C ATOM 369 CD1 LEU A 26 -1.968 -1.957 1.109 1.00 1.92 C ATOM 370 CD2 LEU A 26 -2.035 -4.330 0.394 1.00 2.47 C ATOM 0 H LEU A 26 -5.882 -2.864 2.791 1.00 0.40 H new ATOM 0 HA LEU A 26 -4.622 -4.805 1.063 1.00 0.44 H new ATOM 0 HB2 LEU A 26 -3.768 -2.648 2.870 1.00 0.52 H new ATOM 0 HB3 LEU A 26 -2.748 -4.071 2.942 1.00 0.52 H new ATOM 0 HG LEU A 26 -3.693 -2.961 0.292 1.00 0.72 H new ATOM 0 HD11 LEU A 26 -1.541 -1.706 0.138 1.00 1.92 H new ATOM 0 HD12 LEU A 26 -2.553 -1.114 1.476 1.00 1.92 H new ATOM 0 HD13 LEU A 26 -1.165 -2.176 1.813 1.00 1.92 H new ATOM 0 HD21 LEU A 26 -1.616 -4.032 -0.567 1.00 2.47 H new ATOM 0 HD22 LEU A 26 -1.226 -4.573 1.082 1.00 2.47 H new ATOM 0 HD23 LEU A 26 -2.671 -5.205 0.258 1.00 2.47 H new ATOM 382 N THR A 27 -5.195 -5.487 4.244 1.00 0.43 N ATOM 383 CA THR A 27 -5.287 -6.553 5.233 1.00 0.52 C ATOM 384 C THR A 27 -6.339 -7.590 4.821 1.00 0.64 C ATOM 385 O THR A 27 -7.419 -7.656 5.398 1.00 1.60 O ATOM 386 CB THR A 27 -5.568 -5.940 6.612 1.00 0.59 C ATOM 387 OG1 THR A 27 -6.696 -5.100 6.530 1.00 0.67 O ATOM 388 CG2 THR A 27 -4.376 -5.116 7.120 1.00 0.65 C ATOM 0 H THR A 27 -5.529 -4.587 4.589 1.00 0.43 H new ATOM 0 HA THR A 27 -4.339 -7.088 5.291 1.00 0.52 H new ATOM 0 HB THR A 27 -5.745 -6.758 7.310 1.00 0.59 H new ATOM 0 HG1 THR A 27 -7.118 -5.203 5.651 1.00 0.67 H new ATOM 0 HG21 THR A 27 -4.613 -4.698 8.099 1.00 0.65 H new ATOM 0 HG22 THR A 27 -3.499 -5.758 7.202 1.00 0.65 H new ATOM 0 HG23 THR A 27 -4.169 -4.306 6.420 1.00 0.65 H new ATOM 396 N LYS A 28 -5.983 -8.388 3.812 1.00 1.11 N ATOM 397 CA LYS A 28 -6.772 -9.423 3.149 1.00 1.17 C ATOM 398 C LYS A 28 -5.981 -10.085 2.015 1.00 1.11 C ATOM 399 O LYS A 28 -6.174 -11.268 1.756 1.00 1.36 O ATOM 400 CB LYS A 28 -8.131 -8.899 2.643 1.00 1.20 C ATOM 401 CG LYS A 28 -8.103 -7.837 1.526 1.00 1.26 C ATOM 402 CD LYS A 28 -8.176 -8.436 0.106 1.00 2.24 C ATOM 403 CE LYS A 28 -8.562 -7.395 -0.968 1.00 2.42 C ATOM 404 NZ LYS A 28 -7.607 -7.322 -2.098 1.00 4.22 N ATOM 0 H LYS A 28 -5.051 -8.318 3.403 1.00 1.11 H new ATOM 0 HA LYS A 28 -6.987 -10.180 3.903 1.00 1.17 H new ATOM 0 HB2 LYS A 28 -8.710 -9.751 2.286 1.00 1.20 H new ATOM 0 HB3 LYS A 28 -8.670 -8.481 3.493 1.00 1.20 H new ATOM 0 HG2 LYS A 28 -8.939 -7.152 1.666 1.00 1.26 H new ATOM 0 HG3 LYS A 28 -7.190 -7.249 1.617 1.00 1.26 H new ATOM 0 HD2 LYS A 28 -7.210 -8.872 -0.149 1.00 2.24 H new ATOM 0 HD3 LYS A 28 -8.904 -9.247 0.097 1.00 2.24 H new ATOM 0 HE2 LYS A 28 -9.552 -7.636 -1.356 1.00 2.42 H new ATOM 0 HE3 LYS A 28 -8.633 -6.413 -0.500 1.00 2.42 H new ATOM 0 HZ1 LYS A 28 -8.127 -7.140 -2.980 1.00 4.22 H new ATOM 0 HZ2 LYS A 28 -6.929 -6.551 -1.930 1.00 4.22 H new ATOM 0 HZ3 LYS A 28 -7.094 -8.223 -2.178 1.00 4.22 H new ATOM 418 N HIS A 29 -5.130 -9.316 1.318 1.00 0.92 N ATOM 419 CA HIS A 29 -4.436 -9.693 0.089 1.00 1.13 C ATOM 420 C HIS A 29 -4.017 -11.164 0.003 1.00 1.71 C ATOM 421 O HIS A 29 -4.567 -11.904 -0.810 1.00 3.54 O ATOM 422 CB HIS A 29 -3.278 -8.712 -0.135 1.00 1.19 C ATOM 423 CG HIS A 29 -3.715 -7.530 -0.961 1.00 1.18 C ATOM 424 ND1 HIS A 29 -3.391 -7.319 -2.281 1.00 1.81 N ATOM 425 CD2 HIS A 29 -4.793 -6.734 -0.685 1.00 0.87 C ATOM 426 CE1 HIS A 29 -4.254 -6.427 -2.781 1.00 2.04 C ATOM 427 NE2 HIS A 29 -5.161 -6.068 -1.856 1.00 1.56 N ATOM 0 H HIS A 29 -4.900 -8.368 1.616 1.00 0.92 H new ATOM 0 HA HIS A 29 -5.147 -9.612 -0.733 1.00 1.13 H new ATOM 0 HB2 HIS A 29 -2.900 -8.366 0.827 1.00 1.19 H new ATOM 0 HB3 HIS A 29 -2.456 -9.224 -0.635 1.00 1.19 H new ATOM 0 HD1 HIS A 29 -2.627 -7.764 -2.789 1.00 1.81 H new ATOM 0 HD2 HIS A 29 -5.277 -6.637 0.276 1.00 0.87 H new ATOM 0 HE1 HIS A 29 -4.226 -6.047 -3.791 1.00 2.04 H new ATOM 435 N ARG A 30 -3.042 -11.585 0.811 1.00 1.52 N ATOM 436 CA ARG A 30 -2.648 -12.988 0.906 1.00 1.72 C ATOM 437 C ARG A 30 -1.792 -13.172 2.155 1.00 1.23 C ATOM 438 O ARG A 30 -2.074 -14.027 2.988 1.00 2.90 O ATOM 439 CB ARG A 30 -1.903 -13.458 -0.360 1.00 3.04 C ATOM 440 CG ARG A 30 -1.914 -14.987 -0.472 1.00 3.84 C ATOM 441 CD ARG A 30 -1.233 -15.460 -1.764 1.00 5.27 C ATOM 442 NE ARG A 30 -1.485 -16.894 -1.988 1.00 5.65 N ATOM 443 CZ ARG A 30 -1.163 -17.583 -3.097 1.00 6.88 C ATOM 444 NH1 ARG A 30 -0.355 -17.055 -4.021 1.00 7.95 N ATOM 445 NH2 ARG A 30 -1.664 -18.809 -3.280 1.00 7.42 N ATOM 0 H ARG A 30 -2.506 -10.963 1.416 1.00 1.52 H new ATOM 0 HA ARG A 30 -3.542 -13.606 0.983 1.00 1.72 H new ATOM 0 HB2 ARG A 30 -2.370 -13.022 -1.243 1.00 3.04 H new ATOM 0 HB3 ARG A 30 -0.874 -13.100 -0.334 1.00 3.04 H new ATOM 0 HG2 ARG A 30 -1.404 -15.420 0.389 1.00 3.84 H new ATOM 0 HG3 ARG A 30 -2.942 -15.347 -0.448 1.00 3.84 H new ATOM 0 HD2 ARG A 30 -1.606 -14.883 -2.610 1.00 5.27 H new ATOM 0 HD3 ARG A 30 -0.160 -15.279 -1.703 1.00 5.27 H new ATOM 0 HE ARG A 30 -1.944 -17.409 -1.237 1.00 5.65 H new ATOM 0 HH11 ARG A 30 0.026 -16.118 -3.890 1.00 7.95 H new ATOM 0 HH12 ARG A 30 -0.119 -17.589 -4.857 1.00 7.95 H new ATOM 0 HH21 ARG A 30 -2.286 -19.215 -2.581 1.00 7.42 H new ATOM 0 HH22 ARG A 30 -1.424 -19.338 -4.119 1.00 7.42 H new ATOM 459 N GLY A 31 -0.757 -12.339 2.284 1.00 0.67 N ATOM 460 CA GLY A 31 0.106 -12.305 3.451 1.00 1.54 C ATOM 461 C GLY A 31 0.663 -10.898 3.627 1.00 1.12 C ATOM 462 O GLY A 31 1.872 -10.688 3.549 1.00 1.15 O ATOM 0 H GLY A 31 -0.497 -11.662 1.567 1.00 0.67 H new ATOM 0 HA2 GLY A 31 -0.453 -12.601 4.339 1.00 1.54 H new ATOM 0 HA3 GLY A 31 0.921 -13.019 3.335 1.00 1.54 H new ATOM 466 N ILE A 32 -0.236 -9.938 3.867 1.00 1.18 N ATOM 467 CA ILE A 32 0.119 -8.682 4.492 1.00 0.99 C ATOM 468 C ILE A 32 0.369 -9.008 5.962 1.00 1.13 C ATOM 469 O ILE A 32 -0.477 -9.604 6.624 1.00 1.60 O ATOM 470 CB ILE A 32 -1.001 -7.634 4.281 1.00 1.24 C ATOM 471 CG1 ILE A 32 -0.524 -6.471 3.404 1.00 0.70 C ATOM 472 CG2 ILE A 32 -1.625 -7.044 5.559 1.00 2.54 C ATOM 473 CD1 ILE A 32 0.606 -5.702 4.076 1.00 1.77 C ATOM 0 H ILE A 32 -1.225 -10.020 3.630 1.00 1.18 H new ATOM 0 HA ILE A 32 1.011 -8.234 4.054 1.00 0.99 H new ATOM 0 HB ILE A 32 -1.784 -8.213 3.791 1.00 1.24 H new ATOM 0 HG12 ILE A 32 -0.185 -6.853 2.441 1.00 0.70 H new ATOM 0 HG13 ILE A 32 -1.357 -5.797 3.204 1.00 0.70 H new ATOM 0 HG21 ILE A 32 -2.396 -6.323 5.288 1.00 2.54 H new ATOM 0 HG22 ILE A 32 -2.069 -7.845 6.150 1.00 2.54 H new ATOM 0 HG23 ILE A 32 -0.852 -6.546 6.145 1.00 2.54 H new ATOM 0 HD11 ILE A 32 0.923 -4.883 3.430 1.00 1.77 H new ATOM 0 HD12 ILE A 32 0.257 -5.300 5.027 1.00 1.77 H new ATOM 0 HD13 ILE A 32 1.447 -6.372 4.252 1.00 1.77 H new ATOM 485 N LEU A 33 1.538 -8.619 6.453 1.00 0.94 N ATOM 486 CA LEU A 33 1.842 -8.570 7.870 1.00 1.27 C ATOM 487 C LEU A 33 1.194 -7.307 8.425 1.00 1.09 C ATOM 488 O LEU A 33 0.471 -7.356 9.416 1.00 1.22 O ATOM 489 CB LEU A 33 3.358 -8.513 8.106 1.00 1.65 C ATOM 490 CG LEU A 33 4.172 -9.745 7.688 1.00 1.53 C ATOM 491 CD1 LEU A 33 3.642 -11.041 8.312 1.00 2.19 C ATOM 492 CD2 LEU A 33 4.342 -9.912 6.173 1.00 2.46 C ATOM 0 H LEU A 33 2.315 -8.323 5.862 1.00 0.94 H new ATOM 0 HA LEU A 33 1.463 -9.465 8.364 1.00 1.27 H new ATOM 0 HB2 LEU A 33 3.752 -7.649 7.572 1.00 1.65 H new ATOM 0 HB3 LEU A 33 3.530 -8.337 9.168 1.00 1.65 H new ATOM 0 HG LEU A 33 5.166 -9.548 8.089 1.00 1.53 H new ATOM 0 HD11 LEU A 33 4.254 -11.880 7.983 1.00 2.19 H new ATOM 0 HD12 LEU A 33 3.684 -10.965 9.399 1.00 2.19 H new ATOM 0 HD13 LEU A 33 2.610 -11.200 7.999 1.00 2.19 H new ATOM 0 HD21 LEU A 33 4.929 -10.807 5.969 1.00 2.46 H new ATOM 0 HD22 LEU A 33 3.362 -10.007 5.705 1.00 2.46 H new ATOM 0 HD23 LEU A 33 4.855 -9.041 5.766 1.00 2.46 H new ATOM 504 N TYR A 34 1.470 -6.171 7.775 1.00 0.86 N ATOM 505 CA TYR A 34 0.957 -4.874 8.202 1.00 0.80 C ATOM 506 C TYR A 34 0.905 -3.893 7.029 1.00 0.65 C ATOM 507 O TYR A 34 1.839 -3.855 6.231 1.00 0.75 O ATOM 508 CB TYR A 34 1.870 -4.326 9.307 1.00 1.00 C ATOM 509 CG TYR A 34 1.386 -3.044 9.959 1.00 1.02 C ATOM 510 CD1 TYR A 34 0.065 -2.942 10.438 1.00 1.89 C ATOM 511 CD2 TYR A 34 2.245 -1.932 10.045 1.00 2.45 C ATOM 512 CE1 TYR A 34 -0.433 -1.700 10.868 1.00 2.08 C ATOM 513 CE2 TYR A 34 1.762 -0.708 10.537 1.00 2.44 C ATOM 514 CZ TYR A 34 0.399 -0.569 10.845 1.00 1.35 C ATOM 515 OH TYR A 34 -0.120 0.678 11.038 1.00 1.69 O ATOM 0 H TYR A 34 2.055 -6.130 6.940 1.00 0.86 H new ATOM 0 HA TYR A 34 -0.058 -4.995 8.579 1.00 0.80 H new ATOM 0 HB2 TYR A 34 1.981 -5.089 10.078 1.00 1.00 H new ATOM 0 HB3 TYR A 34 2.860 -4.151 8.886 1.00 1.00 H new ATOM 0 HD1 TYR A 34 -0.565 -3.818 10.475 1.00 1.89 H new ATOM 0 HD2 TYR A 34 3.275 -2.020 9.733 1.00 2.45 H new ATOM 0 HE1 TYR A 34 -1.452 -1.616 11.215 1.00 2.08 H new ATOM 0 HE2 TYR A 34 2.437 0.123 10.678 1.00 2.44 H new ATOM 0 HH TYR A 34 0.403 1.148 11.721 1.00 1.69 H new ATOM 525 N CYS A 35 -0.153 -3.085 6.929 1.00 0.65 N ATOM 526 CA CYS A 35 -0.202 -1.943 6.024 1.00 0.64 C ATOM 527 C CYS A 35 -0.136 -0.678 6.873 1.00 0.71 C ATOM 528 O CYS A 35 -0.548 -0.685 8.029 1.00 0.92 O ATOM 529 CB CYS A 35 -1.492 -1.986 5.207 1.00 0.65 C ATOM 530 SG CYS A 35 -1.631 -0.512 4.184 1.00 2.26 S ATOM 0 H CYS A 35 -1.003 -3.209 7.479 1.00 0.65 H new ATOM 0 HA CYS A 35 0.634 -1.963 5.324 1.00 0.64 H new ATOM 0 HB2 CYS A 35 -1.503 -2.876 4.578 1.00 0.65 H new ATOM 0 HB3 CYS A 35 -2.351 -2.057 5.874 1.00 0.65 H new ATOM 0 HG CYS A 35 -0.740 -0.555 3.238 1.00 2.26 H new ATOM 536 N SER A 36 0.421 0.408 6.343 1.00 0.66 N ATOM 537 CA SER A 36 0.425 1.676 7.058 1.00 0.62 C ATOM 538 C SER A 36 0.497 2.821 6.056 1.00 0.57 C ATOM 539 O SER A 36 1.530 3.006 5.410 1.00 0.68 O ATOM 540 CB SER A 36 1.596 1.720 8.048 1.00 0.85 C ATOM 541 OG SER A 36 1.232 2.383 9.243 1.00 1.30 O ATOM 0 H SER A 36 0.871 0.434 5.428 1.00 0.66 H new ATOM 0 HA SER A 36 -0.496 1.779 7.632 1.00 0.62 H new ATOM 0 HB2 SER A 36 1.920 0.705 8.277 1.00 0.85 H new ATOM 0 HB3 SER A 36 2.444 2.230 7.590 1.00 0.85 H new ATOM 0 HG SER A 36 0.765 1.757 9.835 1.00 1.30 H new ATOM 547 N VAL A 37 -0.598 3.572 5.911 1.00 0.55 N ATOM 548 CA VAL A 37 -0.662 4.733 5.046 1.00 0.58 C ATOM 549 C VAL A 37 -0.841 6.018 5.854 1.00 0.57 C ATOM 550 O VAL A 37 -1.367 5.984 6.965 1.00 0.64 O ATOM 551 CB VAL A 37 -1.780 4.528 4.016 1.00 0.69 C ATOM 552 CG1 VAL A 37 -1.749 3.128 3.402 1.00 1.56 C ATOM 553 CG2 VAL A 37 -3.164 4.674 4.644 1.00 1.67 C ATOM 0 H VAL A 37 -1.472 3.381 6.401 1.00 0.55 H new ATOM 0 HA VAL A 37 0.282 4.844 4.512 1.00 0.58 H new ATOM 0 HB VAL A 37 -1.605 5.292 3.258 1.00 0.69 H new ATOM 0 HG11 VAL A 37 -2.559 3.030 2.679 1.00 1.56 H new ATOM 0 HG12 VAL A 37 -0.794 2.972 2.901 1.00 1.56 H new ATOM 0 HG13 VAL A 37 -1.872 2.383 4.188 1.00 1.56 H new ATOM 0 HG21 VAL A 37 -3.928 4.522 3.881 1.00 1.67 H new ATOM 0 HG22 VAL A 37 -3.286 3.932 5.433 1.00 1.67 H new ATOM 0 HG23 VAL A 37 -3.268 5.673 5.067 1.00 1.67 H new ATOM 563 N ALA A 38 -0.430 7.155 5.283 1.00 0.68 N ATOM 564 CA ALA A 38 -0.696 8.472 5.841 1.00 0.79 C ATOM 565 C ALA A 38 -0.848 9.486 4.714 1.00 0.75 C ATOM 566 O ALA A 38 -0.044 9.519 3.781 1.00 0.70 O ATOM 567 CB ALA A 38 0.409 8.906 6.799 1.00 0.97 C ATOM 0 H ALA A 38 0.101 7.180 4.413 1.00 0.68 H new ATOM 0 HA ALA A 38 -1.624 8.421 6.410 1.00 0.79 H new ATOM 0 HB1 ALA A 38 0.178 9.894 7.197 1.00 0.97 H new ATOM 0 HB2 ALA A 38 0.481 8.192 7.619 1.00 0.97 H new ATOM 0 HB3 ALA A 38 1.359 8.943 6.266 1.00 0.97 H new ATOM 573 N LEU A 39 -1.891 10.313 4.815 1.00 0.85 N ATOM 574 CA LEU A 39 -2.306 11.215 3.750 1.00 0.93 C ATOM 575 C LEU A 39 -1.380 12.427 3.657 1.00 1.05 C ATOM 576 O LEU A 39 -0.971 12.801 2.562 1.00 1.07 O ATOM 577 CB LEU A 39 -3.795 11.574 3.889 1.00 1.18 C ATOM 578 CG LEU A 39 -4.155 12.440 5.110 1.00 1.08 C ATOM 579 CD1 LEU A 39 -4.220 13.929 4.745 1.00 1.60 C ATOM 580 CD2 LEU A 39 -5.525 12.020 5.650 1.00 1.37 C ATOM 0 H LEU A 39 -2.474 10.372 5.650 1.00 0.85 H new ATOM 0 HA LEU A 39 -2.209 10.703 2.793 1.00 0.93 H new ATOM 0 HB2 LEU A 39 -4.110 12.099 2.987 1.00 1.18 H new ATOM 0 HB3 LEU A 39 -4.371 10.650 3.938 1.00 1.18 H new ATOM 0 HG LEU A 39 -3.378 12.292 5.860 1.00 1.08 H new ATOM 0 HD11 LEU A 39 -4.477 14.510 5.631 1.00 1.60 H new ATOM 0 HD12 LEU A 39 -3.251 14.253 4.366 1.00 1.60 H new ATOM 0 HD13 LEU A 39 -4.979 14.083 3.978 1.00 1.60 H new ATOM 0 HD21 LEU A 39 -5.779 12.634 6.514 1.00 1.37 H new ATOM 0 HD22 LEU A 39 -6.279 12.156 4.875 1.00 1.37 H new ATOM 0 HD23 LEU A 39 -5.494 10.971 5.946 1.00 1.37 H new ATOM 592 N ALA A 40 -0.997 13.006 4.800 1.00 1.22 N ATOM 593 CA ALA A 40 -0.114 14.168 4.848 1.00 1.38 C ATOM 594 C ALA A 40 1.222 13.853 4.172 1.00 1.28 C ATOM 595 O ALA A 40 1.715 14.625 3.354 1.00 1.41 O ATOM 596 CB ALA A 40 0.091 14.596 6.305 1.00 1.62 C ATOM 0 H ALA A 40 -1.294 12.678 5.719 1.00 1.22 H new ATOM 0 HA ALA A 40 -0.574 14.993 4.304 1.00 1.38 H new ATOM 0 HB1 ALA A 40 0.750 15.463 6.340 1.00 1.62 H new ATOM 0 HB2 ALA A 40 -0.871 14.853 6.747 1.00 1.62 H new ATOM 0 HB3 ALA A 40 0.540 13.776 6.865 1.00 1.62 H new ATOM 602 N THR A 41 1.789 12.692 4.505 1.00 1.14 N ATOM 603 CA THR A 41 3.001 12.162 3.902 1.00 1.07 C ATOM 604 C THR A 41 2.736 11.622 2.488 1.00 0.93 C ATOM 605 O THR A 41 3.675 11.354 1.742 1.00 1.00 O ATOM 606 CB THR A 41 3.518 11.044 4.820 1.00 1.17 C ATOM 607 OG1 THR A 41 3.166 11.319 6.164 1.00 2.44 O ATOM 608 CG2 THR A 41 5.036 10.871 4.723 1.00 1.84 C ATOM 0 H THR A 41 1.402 12.081 5.224 1.00 1.14 H new ATOM 0 HA THR A 41 3.743 12.954 3.800 1.00 1.07 H new ATOM 0 HB THR A 41 3.052 10.116 4.490 1.00 1.17 H new ATOM 0 HG1 THR A 41 3.498 10.601 6.743 1.00 2.44 H new ATOM 0 HG21 THR A 41 5.354 10.070 5.390 1.00 1.84 H new ATOM 0 HG22 THR A 41 5.309 10.620 3.698 1.00 1.84 H new ATOM 0 HG23 THR A 41 5.527 11.800 5.012 1.00 1.84 H new ATOM 616 N ASN A 42 1.461 11.407 2.143 1.00 0.81 N ATOM 617 CA ASN A 42 0.997 10.760 0.920 1.00 0.72 C ATOM 618 C ASN A 42 1.689 9.401 0.750 1.00 0.63 C ATOM 619 O ASN A 42 1.983 8.953 -0.354 1.00 0.67 O ATOM 620 CB ASN A 42 1.051 11.683 -0.324 1.00 0.90 C ATOM 621 CG ASN A 42 1.551 13.107 -0.092 1.00 1.80 C ATOM 622 OD1 ASN A 42 2.556 13.520 -0.660 1.00 2.80 O ATOM 623 ND2 ASN A 42 0.853 13.878 0.733 1.00 2.69 N ATOM 0 H ASN A 42 0.689 11.696 2.743 1.00 0.81 H new ATOM 0 HA ASN A 42 -0.069 10.557 1.020 1.00 0.72 H new ATOM 0 HB2 ASN A 42 1.692 11.213 -1.070 1.00 0.90 H new ATOM 0 HB3 ASN A 42 0.050 11.738 -0.752 1.00 0.90 H new ATOM 0 HD21 ASN A 42 1.149 14.838 0.907 1.00 2.69 H new ATOM 0 HD22 ASN A 42 0.020 13.510 1.193 1.00 2.69 H new ATOM 630 N LYS A 43 1.942 8.730 1.876 1.00 0.69 N ATOM 631 CA LYS A 43 2.727 7.508 1.952 1.00 0.77 C ATOM 632 C LYS A 43 1.765 6.339 2.102 1.00 0.69 C ATOM 633 O LYS A 43 0.766 6.460 2.809 1.00 0.86 O ATOM 634 CB LYS A 43 3.665 7.608 3.167 1.00 1.14 C ATOM 635 CG LYS A 43 4.480 6.344 3.503 1.00 1.38 C ATOM 636 CD LYS A 43 5.572 5.966 2.490 1.00 1.12 C ATOM 637 CE LYS A 43 6.636 7.069 2.348 1.00 1.02 C ATOM 638 NZ LYS A 43 7.941 6.536 1.898 1.00 1.67 N ATOM 0 H LYS A 43 1.593 9.036 2.784 1.00 0.69 H new ATOM 0 HA LYS A 43 3.330 7.361 1.056 1.00 0.77 H new ATOM 0 HB2 LYS A 43 4.361 8.429 2.996 1.00 1.14 H new ATOM 0 HB3 LYS A 43 3.068 7.873 4.040 1.00 1.14 H new ATOM 0 HG2 LYS A 43 4.947 6.484 4.478 1.00 1.38 H new ATOM 0 HG3 LYS A 43 3.791 5.504 3.597 1.00 1.38 H new ATOM 0 HD2 LYS A 43 6.051 5.039 2.803 1.00 1.12 H new ATOM 0 HD3 LYS A 43 5.115 5.776 1.519 1.00 1.12 H new ATOM 0 HE2 LYS A 43 6.287 7.818 1.637 1.00 1.02 H new ATOM 0 HE3 LYS A 43 6.763 7.574 3.306 1.00 1.02 H new ATOM 0 HZ1 LYS A 43 8.634 7.310 1.850 1.00 1.67 H new ATOM 0 HZ2 LYS A 43 8.273 5.816 2.571 1.00 1.67 H new ATOM 0 HZ3 LYS A 43 7.835 6.107 0.957 1.00 1.67 H new ATOM 652 N ALA A 44 2.105 5.200 1.498 1.00 0.69 N ATOM 653 CA ALA A 44 1.540 3.911 1.844 1.00 0.72 C ATOM 654 C ALA A 44 2.666 2.883 1.868 1.00 0.69 C ATOM 655 O ALA A 44 3.233 2.565 0.820 1.00 0.81 O ATOM 656 CB ALA A 44 0.405 3.554 0.882 1.00 1.05 C ATOM 0 H ALA A 44 2.791 5.154 0.745 1.00 0.69 H new ATOM 0 HA ALA A 44 1.090 3.932 2.836 1.00 0.72 H new ATOM 0 HB1 ALA A 44 -0.010 2.583 1.153 1.00 1.05 H new ATOM 0 HB2 ALA A 44 -0.375 4.312 0.943 1.00 1.05 H new ATOM 0 HB3 ALA A 44 0.791 3.511 -0.136 1.00 1.05 H new ATOM 662 N HIS A 45 3.016 2.392 3.064 1.00 0.70 N ATOM 663 CA HIS A 45 3.898 1.245 3.188 1.00 0.77 C ATOM 664 C HIS A 45 3.071 -0.022 3.323 1.00 0.72 C ATOM 665 O HIS A 45 2.020 -0.027 3.970 1.00 0.74 O ATOM 666 CB HIS A 45 4.968 1.403 4.280 1.00 0.92 C ATOM 667 CG HIS A 45 4.622 0.963 5.684 1.00 0.84 C ATOM 668 ND1 HIS A 45 4.950 1.676 6.815 1.00 1.08 N ATOM 669 CD2 HIS A 45 4.287 -0.307 6.090 1.00 0.83 C ATOM 670 CE1 HIS A 45 4.788 0.865 7.872 1.00 1.16 C ATOM 671 NE2 HIS A 45 4.382 -0.354 7.485 1.00 1.01 N ATOM 0 H HIS A 45 2.698 2.777 3.953 1.00 0.70 H new ATOM 0 HA HIS A 45 4.483 1.170 2.271 1.00 0.77 H new ATOM 0 HB2 HIS A 45 5.851 0.847 3.964 1.00 0.92 H new ATOM 0 HB3 HIS A 45 5.251 2.455 4.320 1.00 0.92 H new ATOM 0 HD1 HIS A 45 5.261 2.647 6.844 1.00 1.08 H new ATOM 0 HD2 HIS A 45 4.001 -1.125 5.445 1.00 0.83 H new ATOM 0 HE1 HIS A 45 4.961 1.155 8.898 1.00 1.16 H new ATOM 679 N ILE A 46 3.594 -1.093 2.731 1.00 0.68 N ATOM 680 CA ILE A 46 3.059 -2.430 2.798 1.00 0.65 C ATOM 681 C ILE A 46 4.183 -3.317 3.321 1.00 0.66 C ATOM 682 O ILE A 46 5.236 -3.407 2.694 1.00 0.75 O ATOM 683 CB ILE A 46 2.618 -2.862 1.395 1.00 0.71 C ATOM 684 CG1 ILE A 46 1.578 -1.904 0.794 1.00 0.85 C ATOM 685 CG2 ILE A 46 2.015 -4.264 1.413 1.00 0.82 C ATOM 686 CD1 ILE A 46 2.205 -0.834 -0.102 1.00 1.18 C ATOM 0 H ILE A 46 4.442 -1.038 2.167 1.00 0.68 H new ATOM 0 HA ILE A 46 2.190 -2.497 3.453 1.00 0.65 H new ATOM 0 HB ILE A 46 3.518 -2.847 0.780 1.00 0.71 H new ATOM 0 HG12 ILE A 46 0.854 -2.478 0.215 1.00 0.85 H new ATOM 0 HG13 ILE A 46 1.028 -1.419 1.601 1.00 0.85 H new ATOM 0 HG21 ILE A 46 1.712 -4.543 0.404 1.00 0.82 H new ATOM 0 HG22 ILE A 46 2.757 -4.974 1.778 1.00 0.82 H new ATOM 0 HG23 ILE A 46 1.145 -4.278 2.070 1.00 0.82 H new ATOM 0 HD11 ILE A 46 1.422 -0.187 -0.498 1.00 1.18 H new ATOM 0 HD12 ILE A 46 2.908 -0.239 0.480 1.00 1.18 H new ATOM 0 HD13 ILE A 46 2.732 -1.313 -0.927 1.00 1.18 H new ATOM 698 N LYS A 47 3.948 -3.962 4.459 1.00 0.65 N ATOM 699 CA LYS A 47 4.755 -5.055 4.981 1.00 0.68 C ATOM 700 C LYS A 47 4.082 -6.350 4.559 1.00 0.58 C ATOM 701 O LYS A 47 3.134 -6.781 5.210 1.00 0.72 O ATOM 702 CB LYS A 47 4.865 -5.016 6.505 1.00 0.81 C ATOM 703 CG LYS A 47 5.391 -3.692 7.052 1.00 0.95 C ATOM 704 CD LYS A 47 6.102 -4.012 8.369 1.00 1.13 C ATOM 705 CE LYS A 47 6.607 -2.739 9.054 1.00 1.51 C ATOM 706 NZ LYS A 47 7.346 -3.053 10.294 1.00 2.20 N ATOM 0 H LYS A 47 3.161 -3.728 5.064 1.00 0.65 H new ATOM 0 HA LYS A 47 5.768 -4.972 4.586 1.00 0.68 H new ATOM 0 HB2 LYS A 47 3.883 -5.212 6.936 1.00 0.81 H new ATOM 0 HB3 LYS A 47 5.523 -5.821 6.833 1.00 0.81 H new ATOM 0 HG2 LYS A 47 6.077 -3.226 6.345 1.00 0.95 H new ATOM 0 HG3 LYS A 47 4.574 -2.988 7.214 1.00 0.95 H new ATOM 0 HD2 LYS A 47 5.418 -4.539 9.035 1.00 1.13 H new ATOM 0 HD3 LYS A 47 6.941 -4.682 8.178 1.00 1.13 H new ATOM 0 HE2 LYS A 47 7.255 -2.189 8.372 1.00 1.51 H new ATOM 0 HE3 LYS A 47 5.763 -2.089 9.286 1.00 1.51 H new ATOM 0 HZ1 LYS A 47 7.675 -2.170 10.735 1.00 2.20 H new ATOM 0 HZ2 LYS A 47 6.719 -3.557 10.954 1.00 2.20 H new ATOM 0 HZ3 LYS A 47 8.165 -3.653 10.068 1.00 2.20 H new ATOM 720 N TYR A 48 4.538 -6.939 3.458 1.00 0.66 N ATOM 721 CA TYR A 48 4.002 -8.151 2.867 1.00 0.55 C ATOM 722 C TYR A 48 5.185 -9.041 2.514 1.00 0.59 C ATOM 723 O TYR A 48 6.260 -8.514 2.228 1.00 0.82 O ATOM 724 CB TYR A 48 3.202 -7.841 1.591 1.00 0.51 C ATOM 725 CG TYR A 48 4.036 -7.398 0.393 1.00 0.56 C ATOM 726 CD1 TYR A 48 4.913 -6.300 0.487 1.00 1.70 C ATOM 727 CD2 TYR A 48 4.071 -8.200 -0.764 1.00 2.06 C ATOM 728 CE1 TYR A 48 5.922 -6.122 -0.471 1.00 1.70 C ATOM 729 CE2 TYR A 48 4.956 -7.896 -1.812 1.00 2.18 C ATOM 730 CZ TYR A 48 5.930 -6.902 -1.634 1.00 0.94 C ATOM 731 OH TYR A 48 6.881 -6.690 -2.586 1.00 1.31 O ATOM 0 H TYR A 48 5.328 -6.564 2.933 1.00 0.66 H new ATOM 0 HA TYR A 48 3.328 -8.638 3.572 1.00 0.55 H new ATOM 0 HB2 TYR A 48 2.637 -8.730 1.311 1.00 0.51 H new ATOM 0 HB3 TYR A 48 2.476 -7.060 1.817 1.00 0.51 H new ATOM 0 HD1 TYR A 48 4.808 -5.594 1.298 1.00 1.70 H new ATOM 0 HD2 TYR A 48 3.414 -9.053 -0.846 1.00 2.06 H new ATOM 0 HE1 TYR A 48 6.693 -5.383 -0.312 1.00 1.70 H new ATOM 0 HE2 TYR A 48 4.887 -8.425 -2.751 1.00 2.18 H new ATOM 0 HH TYR A 48 6.746 -7.315 -3.328 1.00 1.31 H new ATOM 741 N ASP A 49 4.989 -10.359 2.465 1.00 0.66 N ATOM 742 CA ASP A 49 6.015 -11.215 1.887 1.00 0.75 C ATOM 743 C ASP A 49 5.875 -11.214 0.357 1.00 0.64 C ATOM 744 O ASP A 49 4.763 -11.384 -0.147 1.00 0.83 O ATOM 745 CB ASP A 49 5.940 -12.631 2.454 1.00 1.07 C ATOM 746 CG ASP A 49 7.171 -13.400 2.006 1.00 2.24 C ATOM 747 OD1 ASP A 49 7.262 -13.692 0.793 1.00 3.35 O ATOM 748 OD2 ASP A 49 8.039 -13.604 2.881 1.00 3.18 O ATOM 0 H ASP A 49 4.158 -10.841 2.807 1.00 0.66 H new ATOM 0 HA ASP A 49 6.997 -10.822 2.151 1.00 0.75 H new ATOM 0 HB2 ASP A 49 5.889 -12.600 3.542 1.00 1.07 H new ATOM 0 HB3 ASP A 49 5.035 -13.130 2.106 1.00 1.07 H new ATOM 753 N PRO A 50 6.957 -10.995 -0.406 1.00 0.62 N ATOM 754 CA PRO A 50 6.906 -10.994 -1.855 1.00 0.78 C ATOM 755 C PRO A 50 6.608 -12.374 -2.446 1.00 1.02 C ATOM 756 O PRO A 50 5.831 -12.462 -3.397 1.00 1.52 O ATOM 757 CB PRO A 50 8.256 -10.443 -2.323 1.00 1.03 C ATOM 758 CG PRO A 50 9.195 -10.755 -1.159 1.00 0.98 C ATOM 759 CD PRO A 50 8.281 -10.625 0.056 1.00 0.75 C ATOM 0 HA PRO A 50 6.081 -10.374 -2.206 1.00 0.78 H new ATOM 0 HB2 PRO A 50 8.587 -10.922 -3.244 1.00 1.03 H new ATOM 0 HB3 PRO A 50 8.205 -9.372 -2.521 1.00 1.03 H new ATOM 0 HG2 PRO A 50 9.621 -11.755 -1.240 1.00 0.98 H new ATOM 0 HG3 PRO A 50 10.030 -10.056 -1.114 1.00 0.98 H new ATOM 0 HD2 PRO A 50 8.610 -11.278 0.865 1.00 0.75 H new ATOM 0 HD3 PRO A 50 8.289 -9.607 0.445 1.00 0.75 H new ATOM 767 N GLU A 51 7.186 -13.457 -1.917 1.00 1.03 N ATOM 768 CA GLU A 51 7.227 -14.754 -2.593 1.00 1.18 C ATOM 769 C GLU A 51 5.985 -15.582 -2.257 1.00 1.63 C ATOM 770 O GLU A 51 6.042 -16.791 -2.043 1.00 2.91 O ATOM 771 CB GLU A 51 8.548 -15.472 -2.285 1.00 1.15 C ATOM 772 CG GLU A 51 9.721 -14.721 -2.932 1.00 1.97 C ATOM 773 CD GLU A 51 11.035 -15.469 -2.768 1.00 2.68 C ATOM 774 OE1 GLU A 51 11.121 -16.602 -3.281 1.00 3.40 O ATOM 775 OE2 GLU A 51 11.946 -14.878 -2.147 1.00 3.56 O ATOM 0 H GLU A 51 7.640 -13.457 -1.004 1.00 1.03 H new ATOM 0 HA GLU A 51 7.201 -14.604 -3.672 1.00 1.18 H new ATOM 0 HB2 GLU A 51 8.695 -15.532 -1.207 1.00 1.15 H new ATOM 0 HB3 GLU A 51 8.511 -16.495 -2.659 1.00 1.15 H new ATOM 0 HG2 GLU A 51 9.517 -14.574 -3.993 1.00 1.97 H new ATOM 0 HG3 GLU A 51 9.809 -13.731 -2.485 1.00 1.97 H new ATOM 782 N ILE A 52 4.844 -14.897 -2.281 1.00 0.88 N ATOM 783 CA ILE A 52 3.505 -15.452 -2.157 1.00 1.05 C ATOM 784 C ILE A 52 2.512 -14.717 -3.059 1.00 1.03 C ATOM 785 O ILE A 52 1.638 -15.348 -3.654 1.00 1.66 O ATOM 786 CB ILE A 52 3.026 -15.456 -0.693 1.00 1.12 C ATOM 787 CG1 ILE A 52 3.264 -14.117 0.020 1.00 0.97 C ATOM 788 CG2 ILE A 52 3.674 -16.610 0.088 1.00 1.59 C ATOM 789 CD1 ILE A 52 2.583 -14.051 1.388 1.00 1.45 C ATOM 0 H ILE A 52 4.832 -13.883 -2.394 1.00 0.88 H new ATOM 0 HA ILE A 52 3.553 -16.489 -2.489 1.00 1.05 H new ATOM 0 HB ILE A 52 1.947 -15.606 -0.720 1.00 1.12 H new ATOM 0 HG12 ILE A 52 4.336 -13.961 0.144 1.00 0.97 H new ATOM 0 HG13 ILE A 52 2.894 -13.305 -0.606 1.00 0.97 H new ATOM 0 HG21 ILE A 52 3.322 -16.594 1.119 1.00 1.59 H new ATOM 0 HG22 ILE A 52 3.402 -17.559 -0.374 1.00 1.59 H new ATOM 0 HG23 ILE A 52 4.758 -16.496 0.073 1.00 1.59 H new ATOM 0 HD11 ILE A 52 2.784 -13.083 1.848 1.00 1.45 H new ATOM 0 HD12 ILE A 52 1.507 -14.178 1.266 1.00 1.45 H new ATOM 0 HD13 ILE A 52 2.972 -14.844 2.027 1.00 1.45 H new ATOM 801 N ILE A 53 2.606 -13.387 -3.120 1.00 0.70 N ATOM 802 CA ILE A 53 1.680 -12.529 -3.851 1.00 0.77 C ATOM 803 C ILE A 53 2.397 -11.696 -4.920 1.00 0.79 C ATOM 804 O ILE A 53 2.115 -11.830 -6.108 1.00 1.06 O ATOM 805 CB ILE A 53 0.863 -11.704 -2.842 1.00 0.82 C ATOM 806 CG1 ILE A 53 -0.242 -10.943 -3.572 1.00 1.07 C ATOM 807 CG2 ILE A 53 1.669 -10.740 -1.959 1.00 0.83 C ATOM 808 CD1 ILE A 53 -1.214 -10.330 -2.567 1.00 1.20 C ATOM 0 H ILE A 53 3.347 -12.867 -2.650 1.00 0.70 H new ATOM 0 HA ILE A 53 0.975 -13.136 -4.419 1.00 0.77 H new ATOM 0 HB ILE A 53 0.450 -12.436 -2.148 1.00 0.82 H new ATOM 0 HG12 ILE A 53 0.194 -10.159 -4.191 1.00 1.07 H new ATOM 0 HG13 ILE A 53 -0.777 -11.617 -4.241 1.00 1.07 H new ATOM 0 HG21 ILE A 53 0.993 -10.211 -1.287 1.00 0.83 H new ATOM 0 HG22 ILE A 53 2.395 -11.304 -1.374 1.00 0.83 H new ATOM 0 HG23 ILE A 53 2.191 -10.020 -2.589 1.00 0.83 H new ATOM 0 HD11 ILE A 53 -1.997 -9.790 -3.100 1.00 1.20 H new ATOM 0 HD12 ILE A 53 -1.663 -11.121 -1.966 1.00 1.20 H new ATOM 0 HD13 ILE A 53 -0.677 -9.640 -1.916 1.00 1.20 H new ATOM 820 N GLY A 54 3.330 -10.848 -4.493 1.00 0.70 N ATOM 821 CA GLY A 54 4.133 -9.994 -5.357 1.00 0.70 C ATOM 822 C GLY A 54 3.628 -8.546 -5.344 1.00 0.63 C ATOM 823 O GLY A 54 2.472 -8.291 -5.013 1.00 0.64 O ATOM 0 H GLY A 54 3.553 -10.735 -3.504 1.00 0.70 H new ATOM 0 HA2 GLY A 54 5.173 -10.021 -5.031 1.00 0.70 H new ATOM 0 HA3 GLY A 54 4.108 -10.380 -6.376 1.00 0.70 H new ATOM 827 N PRO A 55 4.495 -7.576 -5.684 1.00 0.62 N ATOM 828 CA PRO A 55 4.198 -6.154 -5.565 1.00 0.58 C ATOM 829 C PRO A 55 3.175 -5.678 -6.603 1.00 0.55 C ATOM 830 O PRO A 55 2.411 -4.758 -6.329 1.00 0.54 O ATOM 831 CB PRO A 55 5.545 -5.446 -5.738 1.00 0.64 C ATOM 832 CG PRO A 55 6.350 -6.412 -6.609 1.00 0.68 C ATOM 833 CD PRO A 55 5.858 -7.784 -6.144 1.00 0.69 C ATOM 0 HA PRO A 55 3.739 -5.930 -4.602 1.00 0.58 H new ATOM 0 HB2 PRO A 55 5.429 -4.475 -6.219 1.00 0.64 H new ATOM 0 HB3 PRO A 55 6.032 -5.270 -4.779 1.00 0.64 H new ATOM 0 HG2 PRO A 55 6.160 -6.253 -7.670 1.00 0.68 H new ATOM 0 HG3 PRO A 55 7.423 -6.295 -6.457 1.00 0.68 H new ATOM 0 HD2 PRO A 55 5.891 -8.508 -6.958 1.00 0.69 H new ATOM 0 HD3 PRO A 55 6.486 -8.175 -5.344 1.00 0.69 H new ATOM 841 N ARG A 56 3.175 -6.275 -7.801 1.00 0.59 N ATOM 842 CA ARG A 56 2.276 -5.896 -8.886 1.00 0.65 C ATOM 843 C ARG A 56 0.819 -5.871 -8.425 1.00 0.60 C ATOM 844 O ARG A 56 0.128 -4.875 -8.620 1.00 0.60 O ATOM 845 CB ARG A 56 2.448 -6.863 -10.068 1.00 0.77 C ATOM 846 CG ARG A 56 3.605 -6.462 -10.992 1.00 1.70 C ATOM 847 CD ARG A 56 3.181 -5.314 -11.919 1.00 2.77 C ATOM 848 NE ARG A 56 4.241 -4.963 -12.874 1.00 3.66 N ATOM 849 CZ ARG A 56 4.095 -4.077 -13.875 1.00 4.96 C ATOM 850 NH1 ARG A 56 2.939 -3.426 -14.039 1.00 5.87 N ATOM 851 NH2 ARG A 56 5.113 -3.847 -14.712 1.00 5.95 N ATOM 0 H ARG A 56 3.805 -7.040 -8.042 1.00 0.59 H new ATOM 0 HA ARG A 56 2.536 -4.887 -9.205 1.00 0.65 H new ATOM 0 HB2 ARG A 56 2.623 -7.869 -9.687 1.00 0.77 H new ATOM 0 HB3 ARG A 56 1.523 -6.897 -10.643 1.00 0.77 H new ATOM 0 HG2 ARG A 56 4.465 -6.157 -10.396 1.00 1.70 H new ATOM 0 HG3 ARG A 56 3.918 -7.321 -11.586 1.00 1.70 H new ATOM 0 HD2 ARG A 56 2.281 -5.600 -12.464 1.00 2.77 H new ATOM 0 HD3 ARG A 56 2.927 -4.439 -11.321 1.00 2.77 H new ATOM 0 HE ARG A 56 5.146 -5.421 -12.771 1.00 3.66 H new ATOM 0 HH11 ARG A 56 2.161 -3.600 -13.403 1.00 5.87 H new ATOM 0 HH12 ARG A 56 2.835 -2.755 -14.800 1.00 5.87 H new ATOM 0 HH21 ARG A 56 5.996 -4.343 -14.590 1.00 5.95 H new ATOM 0 HH22 ARG A 56 5.006 -3.176 -15.473 1.00 5.95 H new ATOM 865 N ASP A 57 0.366 -6.976 -7.827 1.00 0.62 N ATOM 866 CA ASP A 57 -0.976 -7.127 -7.280 1.00 0.59 C ATOM 867 C ASP A 57 -1.334 -5.921 -6.407 1.00 0.50 C ATOM 868 O ASP A 57 -2.310 -5.215 -6.665 1.00 0.49 O ATOM 869 CB ASP A 57 -1.020 -8.431 -6.475 1.00 0.64 C ATOM 870 CG ASP A 57 -2.211 -8.463 -5.533 1.00 1.52 C ATOM 871 OD1 ASP A 57 -3.294 -8.897 -5.972 1.00 2.39 O ATOM 872 OD2 ASP A 57 -2.012 -8.028 -4.381 1.00 2.63 O ATOM 0 H ASP A 57 0.941 -7.810 -7.709 1.00 0.62 H new ATOM 0 HA ASP A 57 -1.711 -7.172 -8.083 1.00 0.59 H new ATOM 0 HB2 ASP A 57 -1.071 -9.280 -7.157 1.00 0.64 H new ATOM 0 HB3 ASP A 57 -0.099 -8.538 -5.902 1.00 0.64 H new ATOM 877 N ILE A 58 -0.506 -5.680 -5.392 1.00 0.47 N ATOM 878 CA ILE A 58 -0.651 -4.578 -4.456 1.00 0.43 C ATOM 879 C ILE A 58 -0.758 -3.269 -5.227 1.00 0.42 C ATOM 880 O ILE A 58 -1.799 -2.616 -5.176 1.00 0.44 O ATOM 881 CB ILE A 58 0.519 -4.623 -3.454 1.00 0.49 C ATOM 882 CG1 ILE A 58 0.338 -5.829 -2.515 1.00 0.53 C ATOM 883 CG2 ILE A 58 0.647 -3.327 -2.642 1.00 0.51 C ATOM 884 CD1 ILE A 58 1.675 -6.369 -2.008 1.00 0.91 C ATOM 0 H ILE A 58 0.306 -6.266 -5.197 1.00 0.47 H new ATOM 0 HA ILE A 58 -1.569 -4.662 -3.874 1.00 0.43 H new ATOM 0 HB ILE A 58 1.443 -4.728 -4.023 1.00 0.49 H new ATOM 0 HG12 ILE A 58 -0.280 -5.537 -1.666 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -0.196 -6.620 -3.041 1.00 0.53 H new ATOM 0 HG21 ILE A 58 1.486 -3.412 -1.952 1.00 0.51 H new ATOM 0 HG22 ILE A 58 0.817 -2.489 -3.318 1.00 0.51 H new ATOM 0 HG23 ILE A 58 -0.271 -3.158 -2.079 1.00 0.51 H new ATOM 0 HD11 ILE A 58 1.498 -7.219 -1.349 1.00 0.91 H new ATOM 0 HD12 ILE A 58 2.284 -6.687 -2.855 1.00 0.91 H new ATOM 0 HD13 ILE A 58 2.198 -5.587 -1.458 1.00 0.91 H new ATOM 896 N ILE A 59 0.295 -2.899 -5.957 1.00 0.45 N ATOM 897 CA ILE A 59 0.357 -1.643 -6.689 1.00 0.50 C ATOM 898 C ILE A 59 -0.911 -1.457 -7.526 1.00 0.52 C ATOM 899 O ILE A 59 -1.585 -0.438 -7.411 1.00 0.56 O ATOM 900 CB ILE A 59 1.660 -1.589 -7.514 1.00 0.57 C ATOM 901 CG1 ILE A 59 2.868 -1.405 -6.577 1.00 0.85 C ATOM 902 CG2 ILE A 59 1.631 -0.481 -8.576 1.00 0.80 C ATOM 903 CD1 ILE A 59 4.199 -1.758 -7.246 1.00 1.31 C ATOM 0 H ILE A 59 1.134 -3.471 -6.055 1.00 0.45 H new ATOM 0 HA ILE A 59 0.389 -0.800 -5.999 1.00 0.50 H new ATOM 0 HB ILE A 59 1.753 -2.537 -8.044 1.00 0.57 H new ATOM 0 HG12 ILE A 59 2.902 -0.371 -6.235 1.00 0.85 H new ATOM 0 HG13 ILE A 59 2.734 -2.029 -5.693 1.00 0.85 H new ATOM 0 HG21 ILE A 59 2.570 -0.483 -9.130 1.00 0.80 H new ATOM 0 HG22 ILE A 59 0.804 -0.657 -9.263 1.00 0.80 H new ATOM 0 HG23 ILE A 59 1.499 0.486 -8.090 1.00 0.80 H new ATOM 0 HD11 ILE A 59 5.013 -1.609 -6.537 1.00 1.31 H new ATOM 0 HD12 ILE A 59 4.181 -2.800 -7.564 1.00 1.31 H new ATOM 0 HD13 ILE A 59 4.351 -1.116 -8.114 1.00 1.31 H new ATOM 915 N HIS A 60 -1.273 -2.449 -8.337 1.00 0.55 N ATOM 916 CA HIS A 60 -2.409 -2.327 -9.237 1.00 0.68 C ATOM 917 C HIS A 60 -3.738 -2.306 -8.482 1.00 0.58 C ATOM 918 O HIS A 60 -4.680 -1.646 -8.917 1.00 0.59 O ATOM 919 CB HIS A 60 -2.342 -3.397 -10.329 1.00 0.97 C ATOM 920 CG HIS A 60 -1.190 -3.151 -11.276 1.00 1.57 C ATOM 921 ND1 HIS A 60 -0.888 -1.947 -11.868 1.00 2.71 N ATOM 922 CD2 HIS A 60 -0.228 -4.049 -11.654 1.00 1.74 C ATOM 923 CE1 HIS A 60 0.233 -2.116 -12.584 1.00 3.12 C ATOM 924 NE2 HIS A 60 0.681 -3.383 -12.489 1.00 2.54 N ATOM 0 H HIS A 60 -0.792 -3.347 -8.386 1.00 0.55 H new ATOM 0 HA HIS A 60 -2.353 -1.361 -9.738 1.00 0.68 H new ATOM 0 HB2 HIS A 60 -2.234 -4.380 -9.870 1.00 0.97 H new ATOM 0 HB3 HIS A 60 -3.278 -3.407 -10.888 1.00 0.97 H new ATOM 0 HD1 HIS A 60 -1.421 -1.082 -11.779 1.00 2.71 H new ATOM 0 HD2 HIS A 60 -0.178 -5.087 -11.361 1.00 1.74 H new ATOM 0 HE1 HIS A 60 0.713 -1.339 -13.161 1.00 3.12 H new ATOM 932 N THR A 61 -3.833 -2.974 -7.331 1.00 0.54 N ATOM 933 CA THR A 61 -5.030 -2.865 -6.510 1.00 0.56 C ATOM 934 C THR A 61 -5.147 -1.443 -5.962 1.00 0.43 C ATOM 935 O THR A 61 -6.190 -0.808 -6.106 1.00 0.47 O ATOM 936 CB THR A 61 -5.033 -3.922 -5.403 1.00 0.65 C ATOM 937 OG1 THR A 61 -4.985 -5.200 -6.000 1.00 0.83 O ATOM 938 CG2 THR A 61 -6.317 -3.839 -4.570 1.00 0.80 C ATOM 0 H THR A 61 -3.107 -3.584 -6.955 1.00 0.54 H new ATOM 0 HA THR A 61 -5.910 -3.060 -7.123 1.00 0.56 H new ATOM 0 HB THR A 61 -4.173 -3.750 -4.756 1.00 0.65 H new ATOM 0 HG1 THR A 61 -4.073 -5.382 -6.310 1.00 0.83 H new ATOM 0 HG21 THR A 61 -6.295 -4.600 -3.790 1.00 0.80 H new ATOM 0 HG22 THR A 61 -6.391 -2.853 -4.112 1.00 0.80 H new ATOM 0 HG23 THR A 61 -7.180 -4.005 -5.215 1.00 0.80 H new ATOM 946 N ILE A 62 -4.081 -0.929 -5.344 1.00 0.35 N ATOM 947 CA ILE A 62 -4.048 0.430 -4.830 1.00 0.38 C ATOM 948 C ILE A 62 -4.369 1.428 -5.953 1.00 0.40 C ATOM 949 O ILE A 62 -5.154 2.350 -5.749 1.00 0.43 O ATOM 950 CB ILE A 62 -2.709 0.675 -4.100 1.00 0.49 C ATOM 951 CG1 ILE A 62 -2.483 -0.288 -2.912 1.00 0.59 C ATOM 952 CG2 ILE A 62 -2.605 2.114 -3.586 1.00 0.64 C ATOM 953 CD1 ILE A 62 -3.731 -0.554 -2.074 1.00 1.53 C ATOM 0 H ILE A 62 -3.218 -1.450 -5.189 1.00 0.35 H new ATOM 0 HA ILE A 62 -4.825 0.585 -4.081 1.00 0.38 H new ATOM 0 HB ILE A 62 -1.937 0.488 -4.847 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -2.107 -1.237 -3.295 1.00 0.59 H new ATOM 0 HG13 ILE A 62 -1.707 0.125 -2.267 1.00 0.59 H new ATOM 0 HG21 ILE A 62 -1.650 2.251 -3.078 1.00 0.64 H new ATOM 0 HG22 ILE A 62 -2.671 2.806 -4.426 1.00 0.64 H new ATOM 0 HG23 ILE A 62 -3.419 2.311 -2.888 1.00 0.64 H new ATOM 0 HD11 ILE A 62 -3.485 -1.239 -1.262 1.00 1.53 H new ATOM 0 HD12 ILE A 62 -4.097 0.385 -1.658 1.00 1.53 H new ATOM 0 HD13 ILE A 62 -4.503 -0.998 -2.702 1.00 1.53 H new ATOM 965 N GLU A 63 -3.824 1.221 -7.153 1.00 0.42 N ATOM 966 CA GLU A 63 -4.132 2.008 -8.330 1.00 0.52 C ATOM 967 C GLU A 63 -5.645 1.972 -8.575 1.00 0.55 C ATOM 968 O GLU A 63 -6.310 3.008 -8.542 1.00 0.63 O ATOM 969 CB GLU A 63 -3.311 1.421 -9.485 1.00 0.63 C ATOM 970 CG GLU A 63 -3.352 2.248 -10.763 1.00 0.89 C ATOM 971 CD GLU A 63 -2.518 1.617 -11.877 1.00 1.96 C ATOM 972 OE1 GLU A 63 -2.064 0.466 -11.683 1.00 2.81 O ATOM 973 OE2 GLU A 63 -2.345 2.295 -12.911 1.00 3.05 O ATOM 0 H GLU A 63 -3.142 0.483 -7.329 1.00 0.42 H new ATOM 0 HA GLU A 63 -3.867 3.059 -8.219 1.00 0.52 H new ATOM 0 HB2 GLU A 63 -2.274 1.320 -9.164 1.00 0.63 H new ATOM 0 HB3 GLU A 63 -3.677 0.418 -9.703 1.00 0.63 H new ATOM 0 HG2 GLU A 63 -4.385 2.350 -11.096 1.00 0.89 H new ATOM 0 HG3 GLU A 63 -2.982 3.253 -10.557 1.00 0.89 H new ATOM 980 N SER A 64 -6.196 0.767 -8.751 1.00 0.57 N ATOM 981 CA SER A 64 -7.617 0.544 -8.996 1.00 0.64 C ATOM 982 C SER A 64 -8.509 1.189 -7.929 1.00 0.61 C ATOM 983 O SER A 64 -9.580 1.696 -8.249 1.00 0.70 O ATOM 984 CB SER A 64 -7.912 -0.954 -9.100 1.00 0.69 C ATOM 985 OG SER A 64 -7.145 -1.550 -10.127 1.00 2.42 O ATOM 0 H SER A 64 -5.652 -0.096 -8.726 1.00 0.57 H new ATOM 0 HA SER A 64 -7.854 1.027 -9.944 1.00 0.64 H new ATOM 0 HB2 SER A 64 -7.692 -1.439 -8.149 1.00 0.69 H new ATOM 0 HB3 SER A 64 -8.973 -1.107 -9.298 1.00 0.69 H new ATOM 0 HG SER A 64 -6.246 -1.750 -9.790 1.00 2.42 H new ATOM 991 N LEU A 65 -8.085 1.169 -6.662 1.00 0.54 N ATOM 992 CA LEU A 65 -8.825 1.793 -5.568 1.00 0.56 C ATOM 993 C LEU A 65 -8.868 3.326 -5.671 1.00 0.57 C ATOM 994 O LEU A 65 -9.574 3.956 -4.886 1.00 0.71 O ATOM 995 CB LEU A 65 -8.251 1.349 -4.213 1.00 0.61 C ATOM 996 CG LEU A 65 -8.551 -0.117 -3.853 1.00 1.10 C ATOM 997 CD1 LEU A 65 -7.686 -0.528 -2.657 1.00 1.76 C ATOM 998 CD2 LEU A 65 -10.022 -0.319 -3.474 1.00 1.83 C ATOM 0 H LEU A 65 -7.218 0.719 -6.369 1.00 0.54 H new ATOM 0 HA LEU A 65 -9.857 1.452 -5.647 1.00 0.56 H new ATOM 0 HB2 LEU A 65 -7.171 1.496 -4.222 1.00 0.61 H new ATOM 0 HB3 LEU A 65 -8.653 1.993 -3.431 1.00 0.61 H new ATOM 0 HG LEU A 65 -8.330 -0.727 -4.729 1.00 1.10 H new ATOM 0 HD11 LEU A 65 -7.894 -1.566 -2.397 1.00 1.76 H new ATOM 0 HD12 LEU A 65 -6.633 -0.423 -2.917 1.00 1.76 H new ATOM 0 HD13 LEU A 65 -7.915 0.112 -1.805 1.00 1.76 H new ATOM 0 HD21 LEU A 65 -10.193 -1.367 -3.227 1.00 1.83 H new ATOM 0 HD22 LEU A 65 -10.264 0.302 -2.611 1.00 1.83 H new ATOM 0 HD23 LEU A 65 -10.656 -0.036 -4.314 1.00 1.83 H new ATOM 1010 N GLY A 66 -8.154 3.931 -6.625 1.00 0.61 N ATOM 1011 CA GLY A 66 -8.224 5.356 -6.907 1.00 0.62 C ATOM 1012 C GLY A 66 -7.106 6.105 -6.193 1.00 0.50 C ATOM 1013 O GLY A 66 -7.347 7.126 -5.552 1.00 0.63 O ATOM 0 H GLY A 66 -7.502 3.430 -7.229 1.00 0.61 H new ATOM 0 HA2 GLY A 66 -8.151 5.523 -7.982 1.00 0.62 H new ATOM 0 HA3 GLY A 66 -9.190 5.747 -6.589 1.00 0.62 H new ATOM 1017 N PHE A 67 -5.877 5.600 -6.332 1.00 0.45 N ATOM 1018 CA PHE A 67 -4.674 6.199 -5.773 1.00 0.44 C ATOM 1019 C PHE A 67 -3.568 6.208 -6.827 1.00 0.53 C ATOM 1020 O PHE A 67 -3.776 5.733 -7.940 1.00 0.95 O ATOM 1021 CB PHE A 67 -4.257 5.396 -4.539 1.00 0.68 C ATOM 1022 CG PHE A 67 -5.283 5.374 -3.429 1.00 0.71 C ATOM 1023 CD1 PHE A 67 -5.651 6.577 -2.805 1.00 1.49 C ATOM 1024 CD2 PHE A 67 -5.922 4.172 -3.069 1.00 1.98 C ATOM 1025 CE1 PHE A 67 -6.668 6.579 -1.840 1.00 1.53 C ATOM 1026 CE2 PHE A 67 -6.937 4.177 -2.099 1.00 2.01 C ATOM 1027 CZ PHE A 67 -7.302 5.380 -1.477 1.00 0.87 C ATOM 0 H PHE A 67 -5.692 4.741 -6.851 1.00 0.45 H new ATOM 0 HA PHE A 67 -4.862 7.231 -5.476 1.00 0.44 H new ATOM 0 HB2 PHE A 67 -4.047 4.370 -4.843 1.00 0.68 H new ATOM 0 HB3 PHE A 67 -3.327 5.810 -4.149 1.00 0.68 H new ATOM 0 HD1 PHE A 67 -5.152 7.498 -3.068 1.00 1.49 H new ATOM 0 HD2 PHE A 67 -5.631 3.245 -3.540 1.00 1.98 H new ATOM 0 HE1 PHE A 67 -6.965 7.507 -1.374 1.00 1.53 H new ATOM 0 HE2 PHE A 67 -7.436 3.257 -1.832 1.00 2.01 H new ATOM 0 HZ PHE A 67 -8.071 5.384 -0.719 1.00 0.87 H new ATOM 1037 N GLU A 68 -2.387 6.727 -6.462 1.00 0.53 N ATOM 1038 CA GLU A 68 -1.270 6.943 -7.378 1.00 0.63 C ATOM 1039 C GLU A 68 0.001 6.192 -6.935 1.00 0.56 C ATOM 1040 O GLU A 68 1.028 6.831 -6.706 1.00 0.80 O ATOM 1041 CB GLU A 68 -1.064 8.463 -7.483 1.00 1.01 C ATOM 1042 CG GLU A 68 -0.272 8.902 -8.722 1.00 1.90 C ATOM 1043 CD GLU A 68 -0.036 10.406 -8.718 1.00 2.64 C ATOM 1044 OE1 GLU A 68 -0.618 11.096 -7.856 1.00 3.45 O ATOM 1045 OE2 GLU A 68 0.764 10.897 -9.539 1.00 3.51 O ATOM 0 H GLU A 68 -2.183 7.012 -5.504 1.00 0.53 H new ATOM 0 HA GLU A 68 -1.495 6.532 -8.362 1.00 0.63 H new ATOM 0 HB2 GLU A 68 -2.038 8.951 -7.496 1.00 1.01 H new ATOM 0 HB3 GLU A 68 -0.545 8.811 -6.590 1.00 1.01 H new ATOM 0 HG2 GLU A 68 0.685 8.381 -8.749 1.00 1.90 H new ATOM 0 HG3 GLU A 68 -0.815 8.618 -9.624 1.00 1.90 H new ATOM 1052 N PRO A 69 -0.053 4.855 -6.783 1.00 0.48 N ATOM 1053 CA PRO A 69 0.983 4.059 -6.132 1.00 0.54 C ATOM 1054 C PRO A 69 2.306 4.056 -6.899 1.00 0.65 C ATOM 1055 O PRO A 69 2.609 3.142 -7.664 1.00 1.15 O ATOM 1056 CB PRO A 69 0.398 2.658 -5.953 1.00 0.59 C ATOM 1057 CG PRO A 69 -0.660 2.583 -7.036 1.00 0.64 C ATOM 1058 CD PRO A 69 -1.177 4.009 -7.142 1.00 0.58 C ATOM 0 HA PRO A 69 1.247 4.492 -5.167 1.00 0.54 H new ATOM 0 HB2 PRO A 69 1.157 1.886 -6.078 1.00 0.59 H new ATOM 0 HB3 PRO A 69 -0.032 2.525 -4.960 1.00 0.59 H new ATOM 0 HG2 PRO A 69 -0.240 2.239 -7.981 1.00 0.64 H new ATOM 0 HG3 PRO A 69 -1.456 1.888 -6.769 1.00 0.64 H new ATOM 0 HD2 PRO A 69 -1.525 4.226 -8.152 1.00 0.58 H new ATOM 0 HD3 PRO A 69 -2.021 4.172 -6.472 1.00 0.58 H new ATOM 1066 N SER A 70 3.112 5.079 -6.640 1.00 0.59 N ATOM 1067 CA SER A 70 4.415 5.299 -7.231 1.00 0.69 C ATOM 1068 C SER A 70 5.478 4.784 -6.264 1.00 0.67 C ATOM 1069 O SER A 70 5.489 5.191 -5.103 1.00 0.89 O ATOM 1070 CB SER A 70 4.580 6.804 -7.459 1.00 0.89 C ATOM 1071 OG SER A 70 3.451 7.321 -8.144 1.00 2.04 O ATOM 0 H SER A 70 2.856 5.811 -5.978 1.00 0.59 H new ATOM 0 HA SER A 70 4.517 4.774 -8.181 1.00 0.69 H new ATOM 0 HB2 SER A 70 4.699 7.313 -6.503 1.00 0.89 H new ATOM 0 HB3 SER A 70 5.484 6.995 -8.037 1.00 0.89 H new ATOM 0 HG SER A 70 2.666 7.279 -7.559 1.00 2.04 H new ATOM 1077 N LEU A 71 6.379 3.906 -6.710 1.00 0.72 N ATOM 1078 CA LEU A 71 7.532 3.528 -5.898 1.00 0.77 C ATOM 1079 C LEU A 71 8.397 4.765 -5.638 1.00 0.99 C ATOM 1080 O LEU A 71 8.400 5.688 -6.453 1.00 1.66 O ATOM 1081 CB LEU A 71 8.312 2.383 -6.562 1.00 0.96 C ATOM 1082 CG LEU A 71 9.022 2.773 -7.873 1.00 2.24 C ATOM 1083 CD1 LEU A 71 10.483 3.184 -7.633 1.00 3.29 C ATOM 1084 CD2 LEU A 71 9.007 1.585 -8.842 1.00 3.06 C ATOM 0 H LEU A 71 6.332 3.449 -7.620 1.00 0.72 H new ATOM 0 HA LEU A 71 7.198 3.149 -4.932 1.00 0.77 H new ATOM 0 HB2 LEU A 71 9.055 2.010 -5.858 1.00 0.96 H new ATOM 0 HB3 LEU A 71 7.625 1.562 -6.766 1.00 0.96 H new ATOM 0 HG LEU A 71 8.485 3.624 -8.292 1.00 2.24 H new ATOM 0 HD11 LEU A 71 10.947 3.451 -8.583 1.00 3.29 H new ATOM 0 HD12 LEU A 71 10.514 4.041 -6.960 1.00 3.29 H new ATOM 0 HD13 LEU A 71 11.026 2.352 -7.186 1.00 3.29 H new ATOM 0 HD21 LEU A 71 9.510 1.864 -9.768 1.00 3.06 H new ATOM 0 HD22 LEU A 71 9.524 0.739 -8.389 1.00 3.06 H new ATOM 0 HD23 LEU A 71 7.976 1.306 -9.059 1.00 3.06 H new