USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 595 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 28 LYS NZ :NH3+ 170:sc= 1.11 (180deg=0) USER MOD Set 1.2: A 29 HIS : no HE2:sc= 1.83 K(o=4,f=-14!) USER MOD Set 1.3: A 61 THR OG1 : rot 78:sc= 1.1 USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 1.06 USER MOD Set 2.2: A 18 CYS SG : rot 119:sc= 1.3 USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.12) USER MOD Single : A 1 MET N :NH3+ 178:sc= 1.88 (180deg=1.73) USER MOD Single : A 13 MET CE :methyl -171:sc= -0.469 (180deg=-0.772) USER MOD Single : A 15 CYS SG : rot 180:sc= 0.218 USER MOD Single : A 17 SER OG : rot 89:sc= 1.02 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.294 F(o=-1.3,f=-0.29) USER MOD Single : A 21 LYS NZ :NH3+ -106:sc= 1.59 (180deg=-0.523) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 136:sc= -0.454 USER MOD Single : A 27 THR OG1 : rot -36:sc= 0.965 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 83:sc= -1.11 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 150:sc= -0.0125 USER MOD Single : A 42 ASN : amide:sc= 0.0617 X(o=0.062,f=-0.0059) USER MOD Single : A 43 LYS NZ :NH3+ -170:sc= 1.08 (180deg=0.214) USER MOD Single : A 45 HIS :FLIP no HD1:sc= -0.909 F(o=-1.5,f=-0.91) USER MOD Single : A 47 LYS NZ :NH3+ 145:sc= 1.17 (180deg=1.02) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.15 K(o=1.2,f=-4.8!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 70:sc= 0.642 USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= 1.11 (180deg=0.0149) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.636 -13.934 1.466 1.00 4.49 N ATOM 2 CA MET A 1 11.542 -13.923 2.621 1.00 3.68 C ATOM 3 C MET A 1 11.421 -12.604 3.378 1.00 3.26 C ATOM 4 O MET A 1 10.962 -11.612 2.816 1.00 4.36 O ATOM 5 CB MET A 1 12.998 -14.211 2.221 1.00 4.10 C ATOM 6 CG MET A 1 13.590 -13.177 1.248 1.00 5.36 C ATOM 7 SD MET A 1 15.332 -13.419 0.806 1.00 6.40 S ATOM 8 CE MET A 1 16.147 -13.096 2.387 1.00 6.99 C ATOM 0 H1 MET A 1 10.754 -14.824 0.941 1.00 4.49 H new ATOM 0 H2 MET A 1 9.653 -13.854 1.795 1.00 4.49 H new ATOM 0 H3 MET A 1 10.859 -13.132 0.842 1.00 4.49 H new ATOM 0 HA MET A 1 11.239 -14.732 3.286 1.00 3.68 H new ATOM 0 HB2 MET A 1 13.613 -14.243 3.121 1.00 4.10 H new ATOM 0 HB3 MET A 1 13.051 -15.199 1.763 1.00 4.10 H new ATOM 0 HG2 MET A 1 12.998 -13.186 0.333 1.00 5.36 H new ATOM 0 HG3 MET A 1 13.481 -12.186 1.689 1.00 5.36 H new ATOM 0 HE1 MET A 1 17.224 -13.032 2.235 1.00 6.99 H new ATOM 0 HE2 MET A 1 15.782 -12.155 2.799 1.00 6.99 H new ATOM 0 HE3 MET A 1 15.927 -13.906 3.082 1.00 6.99 H new ATOM 20 N GLY A 2 11.864 -12.589 4.640 1.00 3.18 N ATOM 21 CA GLY A 2 11.730 -11.426 5.503 1.00 3.84 C ATOM 22 C GLY A 2 10.258 -11.121 5.780 1.00 3.12 C ATOM 23 O GLY A 2 9.396 -11.977 5.592 1.00 3.41 O ATOM 0 H GLY A 2 12.323 -13.384 5.084 1.00 3.18 H new ATOM 0 HA2 GLY A 2 12.252 -11.603 6.443 1.00 3.84 H new ATOM 0 HA3 GLY A 2 12.203 -10.563 5.034 1.00 3.84 H new ATOM 27 N ASP A 3 9.980 -9.897 6.229 1.00 3.21 N ATOM 28 CA ASP A 3 8.642 -9.340 6.323 1.00 2.85 C ATOM 29 C ASP A 3 8.234 -8.765 4.969 1.00 2.47 C ATOM 30 O ASP A 3 7.089 -8.912 4.545 1.00 4.15 O ATOM 31 CB ASP A 3 8.609 -8.255 7.407 1.00 3.56 C ATOM 32 CG ASP A 3 9.634 -7.135 7.235 1.00 3.89 C ATOM 33 OD1 ASP A 3 10.578 -7.323 6.432 1.00 4.19 O ATOM 34 OD2 ASP A 3 9.459 -6.104 7.924 1.00 4.79 O ATOM 0 H ASP A 3 10.704 -9.252 6.545 1.00 3.21 H new ATOM 0 HA ASP A 3 7.935 -10.123 6.597 1.00 2.85 H new ATOM 0 HB2 ASP A 3 7.612 -7.814 7.428 1.00 3.56 H new ATOM 0 HB3 ASP A 3 8.769 -8.727 8.376 1.00 3.56 H new ATOM 39 N GLY A 4 9.182 -8.102 4.306 1.00 1.37 N ATOM 40 CA GLY A 4 9.032 -7.595 2.959 1.00 1.43 C ATOM 41 C GLY A 4 8.315 -6.254 2.991 1.00 1.29 C ATOM 42 O GLY A 4 7.138 -6.153 2.655 1.00 2.08 O ATOM 0 H GLY A 4 10.097 -7.902 4.710 1.00 1.37 H new ATOM 0 HA2 GLY A 4 10.010 -7.484 2.491 1.00 1.43 H new ATOM 0 HA3 GLY A 4 8.468 -8.305 2.354 1.00 1.43 H new ATOM 46 N VAL A 5 9.038 -5.216 3.411 1.00 0.87 N ATOM 47 CA VAL A 5 8.532 -3.855 3.420 1.00 0.84 C ATOM 48 C VAL A 5 8.616 -3.287 2.001 1.00 0.85 C ATOM 49 O VAL A 5 9.676 -3.353 1.381 1.00 1.39 O ATOM 50 CB VAL A 5 9.327 -2.982 4.410 1.00 1.11 C ATOM 51 CG1 VAL A 5 8.560 -1.682 4.693 1.00 2.19 C ATOM 52 CG2 VAL A 5 9.590 -3.717 5.730 1.00 1.79 C ATOM 0 H VAL A 5 9.994 -5.302 3.755 1.00 0.87 H new ATOM 0 HA VAL A 5 7.493 -3.855 3.749 1.00 0.84 H new ATOM 0 HB VAL A 5 10.289 -2.755 3.951 1.00 1.11 H new ATOM 0 HG11 VAL A 5 9.128 -1.070 5.394 1.00 2.19 H new ATOM 0 HG12 VAL A 5 8.419 -1.133 3.762 1.00 2.19 H new ATOM 0 HG13 VAL A 5 7.588 -1.920 5.124 1.00 2.19 H new ATOM 0 HG21 VAL A 5 10.153 -3.069 6.402 1.00 1.79 H new ATOM 0 HG22 VAL A 5 8.640 -3.983 6.194 1.00 1.79 H new ATOM 0 HG23 VAL A 5 10.164 -4.623 5.534 1.00 1.79 H new ATOM 62 N LEU A 6 7.529 -2.696 1.502 1.00 0.70 N ATOM 63 CA LEU A 6 7.539 -1.834 0.330 1.00 0.74 C ATOM 64 C LEU A 6 6.805 -0.552 0.701 1.00 0.70 C ATOM 65 O LEU A 6 5.772 -0.607 1.369 1.00 0.99 O ATOM 66 CB LEU A 6 6.871 -2.541 -0.859 1.00 0.91 C ATOM 67 CG LEU A 6 6.766 -1.687 -2.134 1.00 1.18 C ATOM 68 CD1 LEU A 6 8.144 -1.358 -2.723 1.00 1.70 C ATOM 69 CD2 LEU A 6 5.944 -2.451 -3.177 1.00 1.95 C ATOM 0 H LEU A 6 6.602 -2.808 1.913 1.00 0.70 H new ATOM 0 HA LEU A 6 8.559 -1.601 0.026 1.00 0.74 H new ATOM 0 HB2 LEU A 6 7.433 -3.446 -1.089 1.00 0.91 H new ATOM 0 HB3 LEU A 6 5.870 -2.854 -0.563 1.00 0.91 H new ATOM 0 HG LEU A 6 6.284 -0.746 -1.870 1.00 1.18 H new ATOM 0 HD11 LEU A 6 8.021 -0.754 -3.622 1.00 1.70 H new ATOM 0 HD12 LEU A 6 8.730 -0.803 -1.990 1.00 1.70 H new ATOM 0 HD13 LEU A 6 8.662 -2.283 -2.976 1.00 1.70 H new ATOM 0 HD21 LEU A 6 5.863 -1.854 -4.085 1.00 1.95 H new ATOM 0 HD22 LEU A 6 6.436 -3.396 -3.407 1.00 1.95 H new ATOM 0 HD23 LEU A 6 4.947 -2.647 -2.782 1.00 1.95 H new ATOM 81 N GLU A 7 7.348 0.587 0.265 1.00 0.65 N ATOM 82 CA GLU A 7 6.740 1.895 0.395 1.00 0.66 C ATOM 83 C GLU A 7 6.322 2.402 -0.981 1.00 0.69 C ATOM 84 O GLU A 7 7.088 2.292 -1.940 1.00 0.91 O ATOM 85 CB GLU A 7 7.744 2.880 0.992 1.00 0.74 C ATOM 86 CG GLU A 7 7.932 2.726 2.503 1.00 0.91 C ATOM 87 CD GLU A 7 8.274 4.056 3.162 1.00 1.46 C ATOM 88 OE1 GLU A 7 9.005 4.868 2.549 1.00 2.21 O ATOM 89 OE2 GLU A 7 7.677 4.377 4.213 1.00 2.46 O ATOM 0 H GLU A 7 8.254 0.615 -0.203 1.00 0.65 H new ATOM 0 HA GLU A 7 5.870 1.815 1.047 1.00 0.66 H new ATOM 0 HB2 GLU A 7 8.707 2.747 0.499 1.00 0.74 H new ATOM 0 HB3 GLU A 7 7.414 3.896 0.777 1.00 0.74 H new ATOM 0 HG2 GLU A 7 7.020 2.324 2.945 1.00 0.91 H new ATOM 0 HG3 GLU A 7 8.726 2.006 2.700 1.00 0.91 H new ATOM 96 N LEU A 8 5.131 2.998 -1.060 1.00 0.68 N ATOM 97 CA LEU A 8 4.641 3.653 -2.259 1.00 0.69 C ATOM 98 C LEU A 8 3.893 4.928 -1.856 1.00 0.71 C ATOM 99 O LEU A 8 3.023 4.892 -0.984 1.00 0.83 O ATOM 100 CB LEU A 8 3.775 2.694 -3.105 1.00 0.67 C ATOM 101 CG LEU A 8 2.843 1.791 -2.271 1.00 0.66 C ATOM 102 CD1 LEU A 8 1.528 1.547 -3.012 1.00 1.37 C ATOM 103 CD2 LEU A 8 3.492 0.429 -1.989 1.00 1.49 C ATOM 0 H LEU A 8 4.476 3.036 -0.279 1.00 0.68 H new ATOM 0 HA LEU A 8 5.479 3.936 -2.897 1.00 0.69 H new ATOM 0 HB2 LEU A 8 3.171 3.281 -3.797 1.00 0.67 H new ATOM 0 HB3 LEU A 8 4.430 2.065 -3.707 1.00 0.67 H new ATOM 0 HG LEU A 8 2.656 2.307 -1.329 1.00 0.66 H new ATOM 0 HD11 LEU A 8 0.883 0.908 -2.408 1.00 1.37 H new ATOM 0 HD12 LEU A 8 1.029 2.499 -3.192 1.00 1.37 H new ATOM 0 HD13 LEU A 8 1.733 1.059 -3.965 1.00 1.37 H new ATOM 0 HD21 LEU A 8 2.810 -0.184 -1.399 1.00 1.49 H new ATOM 0 HD22 LEU A 8 3.708 -0.073 -2.932 1.00 1.49 H new ATOM 0 HD23 LEU A 8 4.419 0.576 -1.435 1.00 1.49 H new ATOM 115 N VAL A 9 4.250 6.065 -2.461 1.00 0.73 N ATOM 116 CA VAL A 9 3.468 7.292 -2.378 1.00 0.78 C ATOM 117 C VAL A 9 2.132 7.038 -3.079 1.00 0.75 C ATOM 118 O VAL A 9 2.089 6.285 -4.046 1.00 0.87 O ATOM 119 CB VAL A 9 4.260 8.472 -2.976 1.00 0.95 C ATOM 120 CG1 VAL A 9 3.383 9.682 -3.324 1.00 1.09 C ATOM 121 CG2 VAL A 9 5.311 8.948 -1.964 1.00 1.04 C ATOM 0 H VAL A 9 5.096 6.155 -3.024 1.00 0.73 H new ATOM 0 HA VAL A 9 3.265 7.570 -1.344 1.00 0.78 H new ATOM 0 HB VAL A 9 4.709 8.098 -3.896 1.00 0.95 H new ATOM 0 HG11 VAL A 9 4.005 10.475 -3.740 1.00 1.09 H new ATOM 0 HG12 VAL A 9 2.632 9.388 -4.057 1.00 1.09 H new ATOM 0 HG13 VAL A 9 2.888 10.044 -2.423 1.00 1.09 H new ATOM 0 HG21 VAL A 9 5.871 9.782 -2.386 1.00 1.04 H new ATOM 0 HG22 VAL A 9 4.815 9.270 -1.049 1.00 1.04 H new ATOM 0 HG23 VAL A 9 5.995 8.130 -1.737 1.00 1.04 H new ATOM 131 N VAL A 10 1.051 7.635 -2.577 1.00 0.82 N ATOM 132 CA VAL A 10 -0.309 7.493 -3.077 1.00 0.83 C ATOM 133 C VAL A 10 -1.015 8.836 -2.890 1.00 0.94 C ATOM 134 O VAL A 10 -1.527 9.135 -1.811 1.00 1.36 O ATOM 135 CB VAL A 10 -1.084 6.379 -2.343 1.00 0.81 C ATOM 136 CG1 VAL A 10 -1.189 5.096 -3.162 1.00 1.32 C ATOM 137 CG2 VAL A 10 -0.460 6.001 -1.003 1.00 1.06 C ATOM 0 H VAL A 10 1.107 8.260 -1.773 1.00 0.82 H new ATOM 0 HA VAL A 10 -0.275 7.209 -4.129 1.00 0.83 H new ATOM 0 HB VAL A 10 -2.073 6.809 -2.185 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -1.744 4.348 -2.596 1.00 1.32 H new ATOM 0 HG12 VAL A 10 -1.709 5.303 -4.097 1.00 1.32 H new ATOM 0 HG13 VAL A 10 -0.189 4.720 -3.378 1.00 1.32 H new ATOM 0 HG21 VAL A 10 -1.051 5.213 -0.536 1.00 1.06 H new ATOM 0 HG22 VAL A 10 0.558 5.645 -1.163 1.00 1.06 H new ATOM 0 HG23 VAL A 10 -0.441 6.875 -0.351 1.00 1.06 H new ATOM 147 N ARG A 11 -1.077 9.639 -3.951 1.00 0.88 N ATOM 148 CA ARG A 11 -2.053 10.717 -4.031 1.00 0.99 C ATOM 149 C ARG A 11 -3.464 10.113 -4.040 1.00 0.91 C ATOM 150 O ARG A 11 -3.623 8.922 -4.319 1.00 0.93 O ATOM 151 CB ARG A 11 -1.834 11.563 -5.293 1.00 1.35 C ATOM 152 CG ARG A 11 -0.416 12.133 -5.391 1.00 1.31 C ATOM 153 CD ARG A 11 -0.317 13.066 -6.603 1.00 2.12 C ATOM 154 NE ARG A 11 1.076 13.486 -6.832 1.00 2.49 N ATOM 155 CZ ARG A 11 1.723 13.546 -8.012 1.00 3.28 C ATOM 156 NH1 ARG A 11 1.169 13.118 -9.150 1.00 3.99 N ATOM 157 NH2 ARG A 11 2.950 14.079 -8.052 1.00 4.16 N ATOM 0 H ARG A 11 -0.464 9.562 -4.763 1.00 0.88 H new ATOM 0 HA ARG A 11 -1.934 11.369 -3.166 1.00 0.99 H new ATOM 0 HB2 ARG A 11 -2.036 10.952 -6.173 1.00 1.35 H new ATOM 0 HB3 ARG A 11 -2.551 12.384 -5.303 1.00 1.35 H new ATOM 0 HG2 ARG A 11 -0.169 12.677 -4.480 1.00 1.31 H new ATOM 0 HG3 ARG A 11 0.307 11.322 -5.484 1.00 1.31 H new ATOM 0 HD2 ARG A 11 -0.698 12.559 -7.489 1.00 2.12 H new ATOM 0 HD3 ARG A 11 -0.944 13.943 -6.443 1.00 2.12 H new ATOM 0 HE ARG A 11 1.609 13.761 -6.007 1.00 2.49 H new ATOM 0 HH11 ARG A 11 0.226 12.730 -9.144 1.00 3.99 H new ATOM 0 HH12 ARG A 11 1.689 13.179 -10.025 1.00 3.99 H new ATOM 0 HH21 ARG A 11 3.381 14.432 -7.197 1.00 4.16 H new ATOM 0 HH22 ARG A 11 3.454 14.132 -8.937 1.00 4.16 H new ATOM 171 N GLY A 12 -4.475 10.945 -3.757 1.00 1.05 N ATOM 172 CA GLY A 12 -5.890 10.580 -3.784 1.00 1.13 C ATOM 173 C GLY A 12 -6.482 10.371 -2.385 1.00 1.05 C ATOM 174 O GLY A 12 -7.667 10.066 -2.244 1.00 1.42 O ATOM 0 H GLY A 12 -4.322 11.919 -3.496 1.00 1.05 H new ATOM 0 HA2 GLY A 12 -6.451 11.361 -4.297 1.00 1.13 H new ATOM 0 HA3 GLY A 12 -6.013 9.666 -4.365 1.00 1.13 H new ATOM 178 N MET A 13 -5.675 10.531 -1.331 1.00 0.98 N ATOM 179 CA MET A 13 -6.117 10.318 0.039 1.00 0.94 C ATOM 180 C MET A 13 -7.028 11.449 0.534 1.00 1.44 C ATOM 181 O MET A 13 -6.642 12.286 1.349 1.00 2.22 O ATOM 182 CB MET A 13 -4.913 10.049 0.955 1.00 1.04 C ATOM 183 CG MET A 13 -4.860 8.576 1.365 1.00 1.27 C ATOM 184 SD MET A 13 -3.478 8.140 2.440 1.00 1.90 S ATOM 185 CE MET A 13 -2.126 8.207 1.255 1.00 0.91 C ATOM 0 H MET A 13 -4.698 10.812 -1.410 1.00 0.98 H new ATOM 0 HA MET A 13 -6.740 9.424 0.068 1.00 0.94 H new ATOM 0 HB2 MET A 13 -3.991 10.321 0.441 1.00 1.04 H new ATOM 0 HB3 MET A 13 -4.979 10.676 1.844 1.00 1.04 H new ATOM 0 HG2 MET A 13 -5.791 8.320 1.871 1.00 1.27 H new ATOM 0 HG3 MET A 13 -4.809 7.964 0.464 1.00 1.27 H new ATOM 0 HE1 MET A 13 -1.220 7.809 1.713 1.00 0.91 H new ATOM 0 HE2 MET A 13 -2.381 7.611 0.378 1.00 0.91 H new ATOM 0 HE3 MET A 13 -1.957 9.241 0.954 1.00 0.91 H new ATOM 195 N THR A 14 -8.280 11.443 0.076 1.00 1.57 N ATOM 196 CA THR A 14 -9.328 12.288 0.616 1.00 2.31 C ATOM 197 C THR A 14 -9.664 11.852 2.050 1.00 2.39 C ATOM 198 O THR A 14 -10.645 11.138 2.280 1.00 4.11 O ATOM 199 CB THR A 14 -10.547 12.237 -0.314 1.00 3.00 C ATOM 200 OG1 THR A 14 -10.890 10.894 -0.561 1.00 4.79 O ATOM 201 CG2 THR A 14 -10.245 12.908 -1.658 1.00 1.96 C ATOM 0 H THR A 14 -8.591 10.843 -0.688 1.00 1.57 H new ATOM 0 HA THR A 14 -8.993 13.324 0.668 1.00 2.31 H new ATOM 0 HB THR A 14 -11.366 12.765 0.175 1.00 3.00 H new ATOM 0 HG1 THR A 14 -11.669 10.859 -1.154 1.00 4.79 H new ATOM 0 HG21 THR A 14 -11.127 12.857 -2.297 1.00 1.96 H new ATOM 0 HG22 THR A 14 -9.978 13.952 -1.492 1.00 1.96 H new ATOM 0 HG23 THR A 14 -9.415 12.394 -2.143 1.00 1.96 H new ATOM 209 N CYS A 15 -8.846 12.312 3.000 1.00 1.24 N ATOM 210 CA CYS A 15 -9.102 12.292 4.439 1.00 1.57 C ATOM 211 C CYS A 15 -8.991 10.876 5.031 1.00 1.40 C ATOM 212 O CYS A 15 -8.764 9.909 4.302 1.00 1.92 O ATOM 213 CB CYS A 15 -10.450 12.972 4.736 1.00 2.18 C ATOM 214 SG CYS A 15 -10.425 13.728 6.378 1.00 3.51 S ATOM 0 H CYS A 15 -7.943 12.729 2.773 1.00 1.24 H new ATOM 0 HA CYS A 15 -8.324 12.867 4.942 1.00 1.57 H new ATOM 0 HB2 CYS A 15 -10.655 13.732 3.982 1.00 2.18 H new ATOM 0 HB3 CYS A 15 -11.255 12.239 4.678 1.00 2.18 H new ATOM 0 HG CYS A 15 -11.570 14.299 6.610 1.00 3.51 H new ATOM 220 N ALA A 16 -9.131 10.748 6.359 1.00 1.40 N ATOM 221 CA ALA A 16 -9.031 9.508 7.125 1.00 1.41 C ATOM 222 C ALA A 16 -9.805 8.354 6.483 1.00 1.28 C ATOM 223 O ALA A 16 -9.354 7.210 6.507 1.00 2.27 O ATOM 224 CB ALA A 16 -9.532 9.756 8.550 1.00 1.70 C ATOM 0 H ALA A 16 -9.327 11.553 6.954 1.00 1.40 H new ATOM 0 HA ALA A 16 -7.983 9.209 7.140 1.00 1.41 H new ATOM 0 HB1 ALA A 16 -9.460 8.834 9.127 1.00 1.70 H new ATOM 0 HB2 ALA A 16 -8.922 10.527 9.021 1.00 1.70 H new ATOM 0 HB3 ALA A 16 -10.571 10.084 8.518 1.00 1.70 H new ATOM 230 N SER A 17 -10.955 8.666 5.882 1.00 0.59 N ATOM 231 CA SER A 17 -11.707 7.771 5.026 1.00 0.69 C ATOM 232 C SER A 17 -10.772 6.985 4.105 1.00 0.68 C ATOM 233 O SER A 17 -10.713 5.762 4.167 1.00 0.86 O ATOM 234 CB SER A 17 -12.715 8.622 4.237 1.00 1.05 C ATOM 235 OG SER A 17 -12.296 9.980 4.183 1.00 2.37 O ATOM 0 H SER A 17 -11.395 9.580 5.987 1.00 0.59 H new ATOM 0 HA SER A 17 -12.243 7.029 5.618 1.00 0.69 H new ATOM 0 HB2 SER A 17 -12.818 8.228 3.226 1.00 1.05 H new ATOM 0 HB3 SER A 17 -13.697 8.558 4.705 1.00 1.05 H new ATOM 0 HG SER A 17 -11.728 10.116 3.396 1.00 2.37 H new ATOM 241 N CYS A 18 -10.014 7.676 3.258 1.00 0.56 N ATOM 242 CA CYS A 18 -9.161 7.004 2.289 1.00 0.61 C ATOM 243 C CYS A 18 -8.010 6.267 2.967 1.00 0.55 C ATOM 244 O CYS A 18 -7.589 5.215 2.489 1.00 0.54 O ATOM 245 CB CYS A 18 -8.683 7.975 1.215 1.00 0.90 C ATOM 246 SG CYS A 18 -9.963 8.052 -0.064 1.00 1.43 S ATOM 0 H CYS A 18 -9.974 8.695 3.225 1.00 0.56 H new ATOM 0 HA CYS A 18 -9.757 6.242 1.787 1.00 0.61 H new ATOM 0 HB2 CYS A 18 -8.509 8.963 1.642 1.00 0.90 H new ATOM 0 HB3 CYS A 18 -7.737 7.640 0.790 1.00 0.90 H new ATOM 0 HG CYS A 18 -10.418 9.267 -0.150 1.00 1.43 H new ATOM 252 N VAL A 19 -7.524 6.781 4.099 1.00 0.58 N ATOM 253 CA VAL A 19 -6.516 6.088 4.886 1.00 0.57 C ATOM 254 C VAL A 19 -7.047 4.703 5.262 1.00 0.56 C ATOM 255 O VAL A 19 -6.436 3.689 4.929 1.00 0.54 O ATOM 256 CB VAL A 19 -6.121 6.913 6.122 1.00 0.63 C ATOM 257 CG1 VAL A 19 -4.919 6.287 6.829 1.00 0.90 C ATOM 258 CG2 VAL A 19 -5.759 8.348 5.729 1.00 0.82 C ATOM 0 H VAL A 19 -7.817 7.678 4.487 1.00 0.58 H new ATOM 0 HA VAL A 19 -5.608 5.963 4.296 1.00 0.57 H new ATOM 0 HB VAL A 19 -6.980 6.923 6.793 1.00 0.63 H new ATOM 0 HG11 VAL A 19 -4.657 6.887 7.700 1.00 0.90 H new ATOM 0 HG12 VAL A 19 -5.170 5.275 7.147 1.00 0.90 H new ATOM 0 HG13 VAL A 19 -4.072 6.252 6.144 1.00 0.90 H new ATOM 0 HG21 VAL A 19 -5.483 8.911 6.621 1.00 0.82 H new ATOM 0 HG22 VAL A 19 -4.919 8.334 5.035 1.00 0.82 H new ATOM 0 HG23 VAL A 19 -6.617 8.822 5.252 1.00 0.82 H new ATOM 268 N HIS A 20 -8.209 4.639 5.918 1.00 0.64 N ATOM 269 CA HIS A 20 -8.758 3.360 6.336 1.00 0.68 C ATOM 270 C HIS A 20 -9.140 2.511 5.116 1.00 0.59 C ATOM 271 O HIS A 20 -9.047 1.290 5.168 1.00 0.63 O ATOM 272 CB HIS A 20 -9.840 3.570 7.413 1.00 0.78 C ATOM 273 CG HIS A 20 -11.250 3.126 7.117 1.00 0.78 C ATOM 274 ND1 HIS A 20 -11.969 3.333 5.970 1.00 1.22 N flip ATOM 275 CD2 HIS A 20 -12.117 2.606 8.051 1.00 0.64 C flip ATOM 276 CE1 HIS A 20 -13.280 2.915 6.193 1.00 1.27 C flip ATOM 277 NE2 HIS A 20 -13.319 2.491 7.465 1.00 0.89 N flip ATOM 0 H HIS A 20 -8.776 5.450 6.165 1.00 0.64 H new ATOM 0 HA HIS A 20 -8.006 2.752 6.839 1.00 0.68 H new ATOM 0 HB2 HIS A 20 -9.513 3.053 8.315 1.00 0.78 H new ATOM 0 HB3 HIS A 20 -9.871 4.634 7.648 1.00 0.78 H new ATOM 0 HD2 HIS A 20 -11.874 2.339 9.069 1.00 0.64 H new ATOM 0 HE1 HIS A 20 -14.097 2.930 5.487 1.00 1.27 H new ATOM 0 HE2 HIS A 20 -14.153 2.129 7.927 1.00 0.89 H new ATOM 285 N LYS A 21 -9.532 3.145 4.002 1.00 0.53 N ATOM 286 CA LYS A 21 -9.857 2.470 2.747 1.00 0.54 C ATOM 287 C LYS A 21 -8.646 1.655 2.314 1.00 0.55 C ATOM 288 O LYS A 21 -8.746 0.466 2.022 1.00 0.73 O ATOM 289 CB LYS A 21 -10.211 3.531 1.688 1.00 0.56 C ATOM 290 CG LYS A 21 -11.215 3.148 0.593 1.00 0.80 C ATOM 291 CD LYS A 21 -10.581 2.481 -0.638 1.00 1.30 C ATOM 292 CE LYS A 21 -11.261 2.965 -1.935 1.00 1.97 C ATOM 293 NZ LYS A 21 -10.755 4.274 -2.414 1.00 3.70 N ATOM 0 H LYS A 21 -9.632 4.159 3.952 1.00 0.53 H new ATOM 0 HA LYS A 21 -10.711 1.803 2.870 1.00 0.54 H new ATOM 0 HB2 LYS A 21 -10.602 4.405 2.209 1.00 0.56 H new ATOM 0 HB3 LYS A 21 -9.286 3.838 1.200 1.00 0.56 H new ATOM 0 HG2 LYS A 21 -11.957 2.472 1.017 1.00 0.80 H new ATOM 0 HG3 LYS A 21 -11.746 4.044 0.273 1.00 0.80 H new ATOM 0 HD2 LYS A 21 -9.516 2.710 -0.673 1.00 1.30 H new ATOM 0 HD3 LYS A 21 -10.671 1.398 -0.557 1.00 1.30 H new ATOM 0 HE2 LYS A 21 -11.111 2.219 -2.715 1.00 1.97 H new ATOM 0 HE3 LYS A 21 -12.335 3.039 -1.767 1.00 1.97 H new ATOM 0 HZ1 LYS A 21 -11.465 5.010 -2.226 1.00 3.70 H new ATOM 0 HZ2 LYS A 21 -9.873 4.508 -1.916 1.00 3.70 H new ATOM 0 HZ3 LYS A 21 -10.572 4.222 -3.436 1.00 3.70 H new ATOM 307 N ILE A 22 -7.495 2.326 2.298 1.00 0.46 N ATOM 308 CA ILE A 22 -6.226 1.743 1.925 1.00 0.51 C ATOM 309 C ILE A 22 -5.923 0.641 2.932 1.00 0.52 C ATOM 310 O ILE A 22 -5.915 -0.530 2.560 1.00 0.55 O ATOM 311 CB ILE A 22 -5.148 2.846 1.849 1.00 0.66 C ATOM 312 CG1 ILE A 22 -5.349 3.672 0.582 1.00 0.41 C ATOM 313 CG2 ILE A 22 -3.749 2.240 1.783 1.00 1.03 C ATOM 314 CD1 ILE A 22 -4.586 4.999 0.517 1.00 0.71 C ATOM 0 H ILE A 22 -7.427 3.312 2.551 1.00 0.46 H new ATOM 0 HA ILE A 22 -6.248 1.293 0.932 1.00 0.51 H new ATOM 0 HB ILE A 22 -5.242 3.464 2.742 1.00 0.66 H new ATOM 0 HG12 ILE A 22 -5.055 3.065 -0.274 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -6.413 3.882 0.474 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -3.009 3.038 1.730 1.00 1.03 H new ATOM 0 HG22 ILE A 22 -3.571 1.638 2.674 1.00 1.03 H new ATOM 0 HG23 ILE A 22 -3.667 1.610 0.897 1.00 1.03 H new ATOM 0 HD11 ILE A 22 -4.805 5.499 -0.427 1.00 0.71 H new ATOM 0 HD12 ILE A 22 -4.894 5.637 1.346 1.00 0.71 H new ATOM 0 HD13 ILE A 22 -3.515 4.807 0.586 1.00 0.71 H new ATOM 326 N GLU A 23 -5.718 1.016 4.198 1.00 0.51 N ATOM 327 CA GLU A 23 -5.307 0.104 5.259 1.00 0.51 C ATOM 328 C GLU A 23 -6.156 -1.172 5.217 1.00 0.45 C ATOM 329 O GLU A 23 -5.654 -2.277 4.999 1.00 0.49 O ATOM 330 CB GLU A 23 -5.411 0.830 6.616 1.00 0.55 C ATOM 331 CG GLU A 23 -4.271 0.438 7.569 1.00 0.81 C ATOM 332 CD GLU A 23 -4.314 -1.037 7.946 1.00 2.46 C ATOM 333 OE1 GLU A 23 -5.433 -1.515 8.221 1.00 3.64 O ATOM 334 OE2 GLU A 23 -3.231 -1.661 7.931 1.00 3.61 O ATOM 0 H GLU A 23 -5.836 1.978 4.515 1.00 0.51 H new ATOM 0 HA GLU A 23 -4.270 -0.199 5.116 1.00 0.51 H new ATOM 0 HB2 GLU A 23 -5.392 1.908 6.453 1.00 0.55 H new ATOM 0 HB3 GLU A 23 -6.369 0.595 7.080 1.00 0.55 H new ATOM 0 HG2 GLU A 23 -3.314 0.663 7.099 1.00 0.81 H new ATOM 0 HG3 GLU A 23 -4.332 1.044 8.473 1.00 0.81 H new ATOM 341 N SER A 24 -7.474 -0.985 5.314 1.00 0.44 N ATOM 342 CA SER A 24 -8.424 -2.085 5.355 1.00 0.47 C ATOM 343 C SER A 24 -8.243 -2.954 4.113 1.00 0.53 C ATOM 344 O SER A 24 -8.088 -4.172 4.203 1.00 0.75 O ATOM 345 CB SER A 24 -9.852 -1.533 5.464 1.00 0.60 C ATOM 346 OG SER A 24 -10.790 -2.583 5.601 1.00 1.44 O ATOM 0 H SER A 24 -7.907 -0.063 5.366 1.00 0.44 H new ATOM 0 HA SER A 24 -8.244 -2.707 6.232 1.00 0.47 H new ATOM 0 HB2 SER A 24 -9.923 -0.863 6.321 1.00 0.60 H new ATOM 0 HB3 SER A 24 -10.087 -0.943 4.578 1.00 0.60 H new ATOM 0 HG SER A 24 -11.693 -2.208 5.670 1.00 1.44 H new ATOM 352 N SER A 25 -8.212 -2.320 2.940 1.00 0.51 N ATOM 353 CA SER A 25 -8.119 -3.049 1.693 1.00 0.59 C ATOM 354 C SER A 25 -6.784 -3.785 1.563 1.00 0.67 C ATOM 355 O SER A 25 -6.734 -4.813 0.894 1.00 0.88 O ATOM 356 CB SER A 25 -8.367 -2.101 0.527 1.00 0.60 C ATOM 357 OG SER A 25 -8.559 -2.867 -0.646 1.00 0.79 O ATOM 0 H SER A 25 -8.250 -1.306 2.837 1.00 0.51 H new ATOM 0 HA SER A 25 -8.890 -3.819 1.680 1.00 0.59 H new ATOM 0 HB2 SER A 25 -9.243 -1.483 0.722 1.00 0.60 H new ATOM 0 HB3 SER A 25 -7.521 -1.425 0.403 1.00 0.60 H new ATOM 0 HG SER A 25 -9.319 -2.508 -1.150 1.00 0.79 H new ATOM 363 N LEU A 26 -5.709 -3.276 2.167 1.00 0.63 N ATOM 364 CA LEU A 26 -4.440 -3.989 2.185 1.00 0.74 C ATOM 365 C LEU A 26 -4.498 -5.216 3.084 1.00 0.66 C ATOM 366 O LEU A 26 -3.992 -6.265 2.695 1.00 0.84 O ATOM 367 CB LEU A 26 -3.266 -3.116 2.629 1.00 0.84 C ATOM 368 CG LEU A 26 -2.571 -2.311 1.534 1.00 1.24 C ATOM 369 CD1 LEU A 26 -2.199 -3.130 0.292 1.00 1.44 C ATOM 370 CD2 LEU A 26 -3.340 -1.056 1.164 1.00 2.64 C ATOM 0 H LEU A 26 -5.696 -2.376 2.647 1.00 0.63 H new ATOM 0 HA LEU A 26 -4.271 -4.292 1.152 1.00 0.74 H new ATOM 0 HB2 LEU A 26 -3.624 -2.422 3.389 1.00 0.84 H new ATOM 0 HB3 LEU A 26 -2.524 -3.757 3.106 1.00 0.84 H new ATOM 0 HG LEU A 26 -1.624 -2.002 1.977 1.00 1.24 H new ATOM 0 HD11 LEU A 26 -1.710 -2.484 -0.437 1.00 1.44 H new ATOM 0 HD12 LEU A 26 -1.521 -3.935 0.576 1.00 1.44 H new ATOM 0 HD13 LEU A 26 -3.102 -3.555 -0.148 1.00 1.44 H new ATOM 0 HD21 LEU A 26 -2.804 -0.519 0.381 1.00 2.64 H new ATOM 0 HD22 LEU A 26 -4.331 -1.330 0.803 1.00 2.64 H new ATOM 0 HD23 LEU A 26 -3.437 -0.417 2.042 1.00 2.64 H new ATOM 382 N THR A 27 -5.077 -5.103 4.282 1.00 0.49 N ATOM 383 CA THR A 27 -5.011 -6.195 5.253 1.00 0.57 C ATOM 384 C THR A 27 -5.520 -7.542 4.704 1.00 0.96 C ATOM 385 O THR A 27 -5.138 -8.589 5.223 1.00 2.13 O ATOM 386 CB THR A 27 -5.689 -5.812 6.576 1.00 0.58 C ATOM 387 OG1 THR A 27 -7.042 -5.460 6.377 1.00 0.94 O ATOM 388 CG2 THR A 27 -4.933 -4.684 7.294 1.00 0.89 C ATOM 0 H THR A 27 -5.589 -4.280 4.599 1.00 0.49 H new ATOM 0 HA THR A 27 -3.952 -6.353 5.458 1.00 0.57 H new ATOM 0 HB THR A 27 -5.660 -6.692 7.218 1.00 0.58 H new ATOM 0 HG1 THR A 27 -7.136 -4.992 5.521 1.00 0.94 H new ATOM 0 HG21 THR A 27 -5.443 -4.440 8.226 1.00 0.89 H new ATOM 0 HG22 THR A 27 -3.915 -5.009 7.511 1.00 0.89 H new ATOM 0 HG23 THR A 27 -4.904 -3.801 6.655 1.00 0.89 H new ATOM 396 N LYS A 28 -6.344 -7.543 3.646 1.00 0.94 N ATOM 397 CA LYS A 28 -6.838 -8.770 3.029 1.00 1.05 C ATOM 398 C LYS A 28 -5.892 -9.407 1.997 1.00 1.16 C ATOM 399 O LYS A 28 -6.219 -10.465 1.457 1.00 1.49 O ATOM 400 CB LYS A 28 -8.261 -8.563 2.485 1.00 1.07 C ATOM 401 CG LYS A 28 -8.500 -7.500 1.400 1.00 1.12 C ATOM 402 CD LYS A 28 -7.730 -7.756 0.095 1.00 2.52 C ATOM 403 CE LYS A 28 -8.232 -6.859 -1.050 1.00 2.80 C ATOM 404 NZ LYS A 28 -7.296 -6.831 -2.196 1.00 4.54 N ATOM 0 H LYS A 28 -6.683 -6.691 3.199 1.00 0.94 H new ATOM 0 HA LYS A 28 -6.875 -9.513 3.826 1.00 1.05 H new ATOM 0 HB2 LYS A 28 -8.604 -9.519 2.089 1.00 1.07 H new ATOM 0 HB3 LYS A 28 -8.904 -8.319 3.331 1.00 1.07 H new ATOM 0 HG2 LYS A 28 -9.566 -7.455 1.178 1.00 1.12 H new ATOM 0 HG3 LYS A 28 -8.215 -6.524 1.793 1.00 1.12 H new ATOM 0 HD2 LYS A 28 -6.667 -7.576 0.259 1.00 2.52 H new ATOM 0 HD3 LYS A 28 -7.836 -8.803 -0.190 1.00 2.52 H new ATOM 0 HE2 LYS A 28 -9.205 -7.216 -1.388 1.00 2.80 H new ATOM 0 HE3 LYS A 28 -8.376 -5.845 -0.677 1.00 2.80 H new ATOM 0 HZ1 LYS A 28 -7.749 -6.356 -3.003 1.00 4.54 H new ATOM 0 HZ2 LYS A 28 -6.435 -6.313 -1.928 1.00 4.54 H new ATOM 0 HZ3 LYS A 28 -7.045 -7.804 -2.463 1.00 4.54 H new ATOM 418 N HIS A 29 -4.757 -8.785 1.661 1.00 1.14 N ATOM 419 CA HIS A 29 -3.847 -9.346 0.662 1.00 1.38 C ATOM 420 C HIS A 29 -3.219 -10.643 1.188 1.00 1.21 C ATOM 421 O HIS A 29 -2.600 -10.661 2.251 1.00 1.85 O ATOM 422 CB HIS A 29 -2.802 -8.309 0.223 1.00 1.69 C ATOM 423 CG HIS A 29 -3.334 -7.350 -0.806 1.00 1.54 C ATOM 424 ND1 HIS A 29 -3.056 -7.356 -2.151 1.00 1.94 N ATOM 425 CD2 HIS A 29 -4.351 -6.461 -0.612 1.00 1.26 C ATOM 426 CE1 HIS A 29 -3.887 -6.491 -2.750 1.00 2.11 C ATOM 427 NE2 HIS A 29 -4.728 -5.941 -1.854 1.00 1.71 N ATOM 0 H HIS A 29 -4.450 -7.900 2.064 1.00 1.14 H new ATOM 0 HA HIS A 29 -4.413 -9.604 -0.233 1.00 1.38 H new ATOM 0 HB2 HIS A 29 -2.463 -7.749 1.095 1.00 1.69 H new ATOM 0 HB3 HIS A 29 -1.932 -8.825 -0.183 1.00 1.69 H new ATOM 0 HD1 HIS A 29 -2.342 -7.920 -2.613 1.00 1.94 H new ATOM 0 HD2 HIS A 29 -4.790 -6.203 0.340 1.00 1.26 H new ATOM 0 HE1 HIS A 29 -3.882 -6.266 -3.806 1.00 2.11 H new ATOM 435 N ARG A 30 -3.398 -11.740 0.445 1.00 1.55 N ATOM 436 CA ARG A 30 -3.020 -13.089 0.852 1.00 1.69 C ATOM 437 C ARG A 30 -1.498 -13.259 0.858 1.00 1.74 C ATOM 438 O ARG A 30 -0.935 -13.923 -0.008 1.00 3.12 O ATOM 439 CB ARG A 30 -3.696 -14.116 -0.069 1.00 2.21 C ATOM 440 CG ARG A 30 -5.226 -14.052 0.026 1.00 3.29 C ATOM 441 CD ARG A 30 -5.847 -15.127 -0.878 1.00 4.03 C ATOM 442 NE ARG A 30 -7.319 -15.105 -0.828 1.00 5.24 N ATOM 443 CZ ARG A 30 -8.075 -15.646 0.141 1.00 5.75 C ATOM 444 NH1 ARG A 30 -7.491 -16.225 1.196 1.00 5.32 N ATOM 445 NH2 ARG A 30 -9.409 -15.609 0.052 1.00 7.34 N ATOM 0 H ARG A 30 -3.822 -11.708 -0.482 1.00 1.55 H new ATOM 0 HA ARG A 30 -3.364 -13.258 1.872 1.00 1.69 H new ATOM 0 HB2 ARG A 30 -3.389 -13.937 -1.099 1.00 2.21 H new ATOM 0 HB3 ARG A 30 -3.358 -15.118 0.195 1.00 2.21 H new ATOM 0 HG2 ARG A 30 -5.542 -14.204 1.058 1.00 3.29 H new ATOM 0 HG3 ARG A 30 -5.577 -13.064 -0.273 1.00 3.29 H new ATOM 0 HD2 ARG A 30 -5.517 -14.972 -1.905 1.00 4.03 H new ATOM 0 HD3 ARG A 30 -5.488 -16.110 -0.572 1.00 4.03 H new ATOM 0 HE ARG A 30 -7.805 -14.639 -1.594 1.00 5.24 H new ATOM 0 HH11 ARG A 30 -6.474 -16.255 1.263 1.00 5.32 H new ATOM 0 HH12 ARG A 30 -8.063 -16.637 1.933 1.00 5.32 H new ATOM 0 HH21 ARG A 30 -9.854 -15.169 -0.753 1.00 7.34 H new ATOM 0 HH22 ARG A 30 -9.981 -16.021 0.789 1.00 7.34 H new ATOM 459 N GLY A 31 -0.846 -12.661 1.853 1.00 0.74 N ATOM 460 CA GLY A 31 0.600 -12.648 2.011 1.00 0.85 C ATOM 461 C GLY A 31 1.110 -11.358 2.659 1.00 0.85 C ATOM 462 O GLY A 31 2.311 -11.230 2.899 1.00 1.23 O ATOM 0 H GLY A 31 -1.330 -12.156 2.595 1.00 0.74 H new ATOM 0 HA2 GLY A 31 0.903 -13.500 2.619 1.00 0.85 H new ATOM 0 HA3 GLY A 31 1.070 -12.770 1.035 1.00 0.85 H new ATOM 466 N ILE A 32 0.212 -10.408 2.947 1.00 0.80 N ATOM 467 CA ILE A 32 0.478 -9.224 3.734 1.00 0.74 C ATOM 468 C ILE A 32 0.765 -9.661 5.182 1.00 1.01 C ATOM 469 O ILE A 32 0.235 -10.672 5.643 1.00 1.65 O ATOM 470 CB ILE A 32 -0.758 -8.317 3.568 1.00 0.95 C ATOM 471 CG1 ILE A 32 -0.519 -6.806 3.473 1.00 0.75 C ATOM 472 CG2 ILE A 32 -1.794 -8.646 4.634 1.00 1.97 C ATOM 473 CD1 ILE A 32 -0.442 -6.153 4.839 1.00 1.53 C ATOM 0 H ILE A 32 -0.753 -10.456 2.620 1.00 0.80 H new ATOM 0 HA ILE A 32 1.355 -8.660 3.417 1.00 0.74 H new ATOM 0 HB ILE A 32 -1.128 -8.559 2.572 1.00 0.95 H new ATOM 0 HG12 ILE A 32 0.408 -6.620 2.930 1.00 0.75 H new ATOM 0 HG13 ILE A 32 -1.323 -6.348 2.898 1.00 0.75 H new ATOM 0 HG21 ILE A 32 -2.663 -8.000 4.508 1.00 1.97 H new ATOM 0 HG22 ILE A 32 -2.099 -9.688 4.536 1.00 1.97 H new ATOM 0 HG23 ILE A 32 -1.363 -8.486 5.622 1.00 1.97 H new ATOM 0 HD11 ILE A 32 -0.272 -5.083 4.722 1.00 1.53 H new ATOM 0 HD12 ILE A 32 -1.378 -6.315 5.373 1.00 1.53 H new ATOM 0 HD13 ILE A 32 0.380 -6.591 5.406 1.00 1.53 H new ATOM 485 N LEU A 33 1.588 -8.897 5.897 1.00 0.77 N ATOM 486 CA LEU A 33 1.875 -9.035 7.312 1.00 1.08 C ATOM 487 C LEU A 33 1.289 -7.847 8.086 1.00 0.96 C ATOM 488 O LEU A 33 0.655 -8.039 9.120 1.00 1.14 O ATOM 489 CB LEU A 33 3.397 -9.107 7.467 1.00 1.43 C ATOM 490 CG LEU A 33 3.865 -9.168 8.926 1.00 1.91 C ATOM 491 CD1 LEU A 33 3.363 -10.440 9.616 1.00 2.29 C ATOM 492 CD2 LEU A 33 5.391 -9.125 8.934 1.00 3.10 C ATOM 0 H LEU A 33 2.099 -8.122 5.474 1.00 0.77 H new ATOM 0 HA LEU A 33 1.420 -9.938 7.718 1.00 1.08 H new ATOM 0 HB2 LEU A 33 3.766 -9.986 6.939 1.00 1.43 H new ATOM 0 HB3 LEU A 33 3.844 -8.236 6.987 1.00 1.43 H new ATOM 0 HG LEU A 33 3.457 -8.320 9.477 1.00 1.91 H new ATOM 0 HD11 LEU A 33 3.711 -10.455 10.649 1.00 2.29 H new ATOM 0 HD12 LEU A 33 2.273 -10.457 9.600 1.00 2.29 H new ATOM 0 HD13 LEU A 33 3.747 -11.315 9.091 1.00 2.29 H new ATOM 0 HD21 LEU A 33 5.751 -9.167 9.962 1.00 3.10 H new ATOM 0 HD22 LEU A 33 5.782 -9.977 8.378 1.00 3.10 H new ATOM 0 HD23 LEU A 33 5.731 -8.200 8.468 1.00 3.10 H new ATOM 504 N TYR A 34 1.530 -6.619 7.613 1.00 0.74 N ATOM 505 CA TYR A 34 1.143 -5.386 8.289 1.00 0.72 C ATOM 506 C TYR A 34 1.060 -4.272 7.246 1.00 0.58 C ATOM 507 O TYR A 34 1.741 -4.361 6.231 1.00 0.62 O ATOM 508 CB TYR A 34 2.210 -5.054 9.343 1.00 0.83 C ATOM 509 CG TYR A 34 2.007 -3.739 10.071 1.00 0.92 C ATOM 510 CD1 TYR A 34 0.881 -3.553 10.893 1.00 1.53 C ATOM 511 CD2 TYR A 34 2.918 -2.681 9.882 1.00 2.61 C ATOM 512 CE1 TYR A 34 0.653 -2.307 11.504 1.00 1.52 C ATOM 513 CE2 TYR A 34 2.706 -1.448 10.517 1.00 2.71 C ATOM 514 CZ TYR A 34 1.554 -1.248 11.296 1.00 1.16 C ATOM 515 OH TYR A 34 1.325 -0.024 11.850 1.00 1.33 O ATOM 0 H TYR A 34 2.011 -6.456 6.728 1.00 0.74 H new ATOM 0 HA TYR A 34 0.176 -5.492 8.780 1.00 0.72 H new ATOM 0 HB2 TYR A 34 2.235 -5.858 10.078 1.00 0.83 H new ATOM 0 HB3 TYR A 34 3.185 -5.036 8.857 1.00 0.83 H new ATOM 0 HD1 TYR A 34 0.191 -4.368 11.055 1.00 1.53 H new ATOM 0 HD2 TYR A 34 3.781 -2.819 9.247 1.00 2.61 H new ATOM 0 HE1 TYR A 34 -0.214 -2.164 12.132 1.00 1.52 H new ATOM 0 HE2 TYR A 34 3.428 -0.653 10.407 1.00 2.71 H new ATOM 0 HH TYR A 34 2.050 0.588 11.603 1.00 1.33 H new ATOM 525 N CYS A 35 0.275 -3.219 7.484 1.00 0.74 N ATOM 526 CA CYS A 35 0.252 -2.034 6.632 1.00 0.69 C ATOM 527 C CYS A 35 0.290 -0.810 7.524 1.00 0.70 C ATOM 528 O CYS A 35 0.034 -0.889 8.723 1.00 1.04 O ATOM 529 CB CYS A 35 -0.960 -1.928 5.676 1.00 0.71 C ATOM 530 SG CYS A 35 -2.119 -3.311 5.753 1.00 2.34 S ATOM 0 H CYS A 35 -0.364 -3.167 8.277 1.00 0.74 H new ATOM 0 HA CYS A 35 1.123 -2.110 5.981 1.00 0.69 H new ATOM 0 HB2 CYS A 35 -1.500 -1.008 5.900 1.00 0.71 H new ATOM 0 HB3 CYS A 35 -0.591 -1.840 4.654 1.00 0.71 H new ATOM 0 HG CYS A 35 -2.948 -3.128 6.738 1.00 2.34 H new ATOM 536 N SER A 36 0.608 0.327 6.912 1.00 0.47 N ATOM 537 CA SER A 36 0.502 1.628 7.543 1.00 0.53 C ATOM 538 C SER A 36 0.522 2.682 6.444 1.00 0.44 C ATOM 539 O SER A 36 1.571 2.963 5.858 1.00 0.56 O ATOM 540 CB SER A 36 1.626 1.835 8.563 1.00 0.74 C ATOM 541 OG SER A 36 1.426 3.038 9.280 1.00 1.66 O ATOM 0 H SER A 36 0.950 0.365 5.952 1.00 0.47 H new ATOM 0 HA SER A 36 -0.431 1.708 8.101 1.00 0.53 H new ATOM 0 HB2 SER A 36 1.658 0.993 9.255 1.00 0.74 H new ATOM 0 HB3 SER A 36 2.588 1.864 8.052 1.00 0.74 H new ATOM 0 HG SER A 36 2.151 3.156 9.929 1.00 1.66 H new ATOM 547 N VAL A 37 -0.653 3.227 6.131 1.00 0.37 N ATOM 548 CA VAL A 37 -0.833 4.355 5.253 1.00 0.40 C ATOM 549 C VAL A 37 -1.076 5.634 6.060 1.00 0.47 C ATOM 550 O VAL A 37 -1.688 5.588 7.124 1.00 0.62 O ATOM 551 CB VAL A 37 -1.983 3.991 4.305 1.00 0.54 C ATOM 552 CG1 VAL A 37 -3.180 3.398 5.062 1.00 1.95 C ATOM 553 CG2 VAL A 37 -2.430 5.188 3.476 1.00 1.69 C ATOM 0 H VAL A 37 -1.534 2.872 6.503 1.00 0.37 H new ATOM 0 HA VAL A 37 0.059 4.566 4.663 1.00 0.40 H new ATOM 0 HB VAL A 37 -1.596 3.230 3.628 1.00 0.54 H new ATOM 0 HG11 VAL A 37 -3.973 3.154 4.355 1.00 1.95 H new ATOM 0 HG12 VAL A 37 -2.868 2.494 5.584 1.00 1.95 H new ATOM 0 HG13 VAL A 37 -3.550 4.125 5.785 1.00 1.95 H new ATOM 0 HG21 VAL A 37 -3.246 4.890 2.817 1.00 1.69 H new ATOM 0 HG22 VAL A 37 -2.771 5.983 4.139 1.00 1.69 H new ATOM 0 HG23 VAL A 37 -1.594 5.549 2.877 1.00 1.69 H new ATOM 563 N ALA A 38 -0.611 6.780 5.544 1.00 0.57 N ATOM 564 CA ALA A 38 -0.895 8.084 6.123 1.00 0.74 C ATOM 565 C ALA A 38 -0.848 9.190 5.069 1.00 0.60 C ATOM 566 O ALA A 38 0.052 9.246 4.225 1.00 0.54 O ATOM 567 CB ALA A 38 0.048 8.381 7.288 1.00 1.06 C ATOM 0 H ALA A 38 -0.026 6.820 4.710 1.00 0.57 H new ATOM 0 HA ALA A 38 -1.912 8.058 6.515 1.00 0.74 H new ATOM 0 HB1 ALA A 38 -0.185 9.361 7.704 1.00 1.06 H new ATOM 0 HB2 ALA A 38 -0.076 7.621 8.059 1.00 1.06 H new ATOM 0 HB3 ALA A 38 1.079 8.373 6.933 1.00 1.06 H new ATOM 573 N LEU A 39 -1.827 10.094 5.147 1.00 0.68 N ATOM 574 CA LEU A 39 -2.006 11.181 4.193 1.00 0.65 C ATOM 575 C LEU A 39 -1.024 12.323 4.438 1.00 0.73 C ATOM 576 O LEU A 39 -0.726 13.080 3.523 1.00 1.01 O ATOM 577 CB LEU A 39 -3.469 11.646 4.164 1.00 0.93 C ATOM 578 CG LEU A 39 -3.998 12.362 5.422 1.00 0.90 C ATOM 579 CD1 LEU A 39 -3.673 13.864 5.445 1.00 1.32 C ATOM 580 CD2 LEU A 39 -5.523 12.231 5.426 1.00 1.50 C ATOM 0 H LEU A 39 -2.527 10.088 5.889 1.00 0.68 H new ATOM 0 HA LEU A 39 -1.773 10.800 3.199 1.00 0.65 H new ATOM 0 HB2 LEU A 39 -3.595 12.316 3.314 1.00 0.93 H new ATOM 0 HB3 LEU A 39 -4.098 10.775 3.979 1.00 0.93 H new ATOM 0 HG LEU A 39 -3.520 11.900 6.286 1.00 0.90 H new ATOM 0 HD11 LEU A 39 -4.073 14.309 6.356 1.00 1.32 H new ATOM 0 HD12 LEU A 39 -2.592 14.003 5.417 1.00 1.32 H new ATOM 0 HD13 LEU A 39 -4.123 14.347 4.578 1.00 1.32 H new ATOM 0 HD21 LEU A 39 -5.929 12.729 6.307 1.00 1.50 H new ATOM 0 HD22 LEU A 39 -5.930 12.694 4.527 1.00 1.50 H new ATOM 0 HD23 LEU A 39 -5.798 11.176 5.447 1.00 1.50 H new ATOM 592 N ALA A 40 -0.503 12.445 5.665 1.00 0.79 N ATOM 593 CA ALA A 40 0.433 13.506 6.010 1.00 1.03 C ATOM 594 C ALA A 40 1.693 13.361 5.161 1.00 0.99 C ATOM 595 O ALA A 40 2.240 14.341 4.664 1.00 1.27 O ATOM 596 CB ALA A 40 0.761 13.440 7.504 1.00 1.25 C ATOM 0 H ALA A 40 -0.720 11.814 6.436 1.00 0.79 H new ATOM 0 HA ALA A 40 -0.013 14.479 5.805 1.00 1.03 H new ATOM 0 HB1 ALA A 40 1.462 14.235 7.758 1.00 1.25 H new ATOM 0 HB2 ALA A 40 -0.154 13.564 8.083 1.00 1.25 H new ATOM 0 HB3 ALA A 40 1.209 12.474 7.736 1.00 1.25 H new ATOM 602 N THR A 41 2.134 12.112 4.993 1.00 0.77 N ATOM 603 CA THR A 41 3.226 11.776 4.098 1.00 0.80 C ATOM 604 C THR A 41 2.689 11.557 2.678 1.00 0.92 C ATOM 605 O THR A 41 3.374 11.894 1.714 1.00 1.54 O ATOM 606 CB THR A 41 4.030 10.608 4.690 1.00 0.82 C ATOM 607 OG1 THR A 41 5.119 10.262 3.858 1.00 2.17 O ATOM 608 CG2 THR A 41 3.198 9.358 4.975 1.00 2.09 C ATOM 0 H THR A 41 1.737 11.308 5.479 1.00 0.77 H new ATOM 0 HA THR A 41 3.935 12.598 4.005 1.00 0.80 H new ATOM 0 HB THR A 41 4.392 10.977 5.650 1.00 0.82 H new ATOM 0 HG1 THR A 41 5.850 9.907 4.406 1.00 2.17 H new ATOM 0 HG21 THR A 41 3.839 8.581 5.391 1.00 2.09 H new ATOM 0 HG22 THR A 41 2.411 9.600 5.689 1.00 2.09 H new ATOM 0 HG23 THR A 41 2.749 9.001 4.048 1.00 2.09 H new ATOM 616 N ASN A 42 1.448 11.069 2.547 1.00 0.70 N ATOM 617 CA ASN A 42 0.773 10.722 1.294 1.00 0.80 C ATOM 618 C ASN A 42 1.318 9.382 0.830 1.00 0.78 C ATOM 619 O ASN A 42 1.655 9.218 -0.340 1.00 0.91 O ATOM 620 CB ASN A 42 0.890 11.767 0.165 1.00 0.98 C ATOM 621 CG ASN A 42 0.519 13.184 0.573 1.00 1.98 C ATOM 622 OD1 ASN A 42 -0.605 13.630 0.363 1.00 3.08 O ATOM 623 ND2 ASN A 42 1.490 13.913 1.110 1.00 2.99 N ATOM 0 H ASN A 42 0.857 10.897 3.360 1.00 0.70 H new ATOM 0 HA ASN A 42 -0.295 10.684 1.511 1.00 0.80 H new ATOM 0 HB2 ASN A 42 1.914 11.767 -0.208 1.00 0.98 H new ATOM 0 HB3 ASN A 42 0.250 11.462 -0.663 1.00 0.98 H new ATOM 0 HD21 ASN A 42 1.316 14.885 1.366 1.00 2.99 H new ATOM 0 HD22 ASN A 42 2.410 13.501 1.267 1.00 2.99 H new ATOM 630 N LYS A 43 1.448 8.433 1.757 1.00 0.75 N ATOM 631 CA LYS A 43 2.194 7.212 1.515 1.00 0.79 C ATOM 632 C LYS A 43 1.472 6.033 2.137 1.00 0.62 C ATOM 633 O LYS A 43 0.865 6.183 3.196 1.00 0.62 O ATOM 634 CB LYS A 43 3.608 7.349 2.100 1.00 0.93 C ATOM 635 CG LYS A 43 4.614 6.444 1.385 1.00 1.64 C ATOM 636 CD LYS A 43 5.824 6.115 2.257 1.00 1.23 C ATOM 637 CE LYS A 43 6.554 7.327 2.844 1.00 1.07 C ATOM 638 NZ LYS A 43 7.756 6.884 3.584 1.00 1.44 N ATOM 0 H LYS A 43 1.039 8.494 2.690 1.00 0.75 H new ATOM 0 HA LYS A 43 2.272 7.041 0.441 1.00 0.79 H new ATOM 0 HB2 LYS A 43 3.934 8.386 2.022 1.00 0.93 H new ATOM 0 HB3 LYS A 43 3.587 7.101 3.161 1.00 0.93 H new ATOM 0 HG2 LYS A 43 4.120 5.518 1.090 1.00 1.64 H new ATOM 0 HG3 LYS A 43 4.951 6.931 0.470 1.00 1.64 H new ATOM 0 HD2 LYS A 43 5.498 5.475 3.077 1.00 1.23 H new ATOM 0 HD3 LYS A 43 6.532 5.536 1.664 1.00 1.23 H new ATOM 0 HE2 LYS A 43 6.840 8.011 2.045 1.00 1.07 H new ATOM 0 HE3 LYS A 43 5.888 7.875 3.510 1.00 1.07 H new ATOM 0 HZ1 LYS A 43 8.150 7.685 4.118 1.00 1.44 H new ATOM 0 HZ2 LYS A 43 7.497 6.122 4.243 1.00 1.44 H new ATOM 0 HZ3 LYS A 43 8.468 6.533 2.912 1.00 1.44 H new ATOM 652 N ALA A 44 1.585 4.874 1.488 1.00 0.62 N ATOM 653 CA ALA A 44 1.304 3.571 2.054 1.00 0.55 C ATOM 654 C ALA A 44 2.631 2.837 2.185 1.00 0.55 C ATOM 655 O ALA A 44 3.360 2.738 1.195 1.00 0.65 O ATOM 656 CB ALA A 44 0.326 2.817 1.152 1.00 0.62 C ATOM 0 H ALA A 44 1.887 4.824 0.515 1.00 0.62 H new ATOM 0 HA ALA A 44 0.836 3.654 3.035 1.00 0.55 H new ATOM 0 HB1 ALA A 44 0.117 1.837 1.581 1.00 0.62 H new ATOM 0 HB2 ALA A 44 -0.602 3.382 1.069 1.00 0.62 H new ATOM 0 HB3 ALA A 44 0.765 2.693 0.162 1.00 0.62 H new ATOM 662 N HIS A 45 2.945 2.324 3.381 1.00 0.54 N ATOM 663 CA HIS A 45 3.865 1.204 3.482 1.00 0.61 C ATOM 664 C HIS A 45 3.043 -0.061 3.667 1.00 0.54 C ATOM 665 O HIS A 45 2.036 -0.054 4.383 1.00 0.54 O ATOM 666 CB HIS A 45 4.965 1.403 4.538 1.00 0.76 C ATOM 667 CG HIS A 45 4.737 0.832 5.916 1.00 0.68 C ATOM 668 ND1 HIS A 45 4.603 -0.499 6.222 1.00 0.92 N flip ATOM 669 CD2 HIS A 45 5.020 1.491 7.089 1.00 0.67 C flip ATOM 670 CE1 HIS A 45 4.762 -0.648 7.602 1.00 1.01 C flip ATOM 671 NE2 HIS A 45 5.013 0.581 8.079 1.00 0.84 N flip ATOM 0 H HIS A 45 2.580 2.664 4.271 1.00 0.54 H new ATOM 0 HA HIS A 45 4.438 1.119 2.559 1.00 0.61 H new ATOM 0 HB2 HIS A 45 5.886 0.971 4.146 1.00 0.76 H new ATOM 0 HB3 HIS A 45 5.135 2.474 4.645 1.00 0.76 H new ATOM 0 HD2 HIS A 45 5.213 2.548 7.196 1.00 0.67 H new ATOM 0 HE1 HIS A 45 4.696 -1.565 8.169 1.00 1.01 H new ATOM 0 HE2 HIS A 45 5.177 0.796 9.062 1.00 0.84 H new ATOM 679 N ILE A 46 3.498 -1.139 3.030 1.00 0.53 N ATOM 680 CA ILE A 46 2.985 -2.476 3.229 1.00 0.46 C ATOM 681 C ILE A 46 4.159 -3.367 3.606 1.00 0.50 C ATOM 682 O ILE A 46 5.224 -3.282 2.998 1.00 0.64 O ATOM 683 CB ILE A 46 2.269 -2.975 1.963 1.00 0.58 C ATOM 684 CG1 ILE A 46 0.970 -2.193 1.725 1.00 0.85 C ATOM 685 CG2 ILE A 46 1.875 -4.443 2.143 1.00 0.65 C ATOM 686 CD1 ILE A 46 1.106 -0.971 0.821 1.00 1.25 C ATOM 0 H ILE A 46 4.253 -1.096 2.346 1.00 0.53 H new ATOM 0 HA ILE A 46 2.244 -2.492 4.028 1.00 0.46 H new ATOM 0 HB ILE A 46 2.951 -2.841 1.123 1.00 0.58 H new ATOM 0 HG12 ILE A 46 0.233 -2.868 1.289 1.00 0.85 H new ATOM 0 HG13 ILE A 46 0.577 -1.870 2.689 1.00 0.85 H new ATOM 0 HG21 ILE A 46 1.367 -4.796 1.245 1.00 0.65 H new ATOM 0 HG22 ILE A 46 2.770 -5.042 2.313 1.00 0.65 H new ATOM 0 HG23 ILE A 46 1.207 -4.538 2.999 1.00 0.65 H new ATOM 0 HD11 ILE A 46 0.135 -0.487 0.715 1.00 1.25 H new ATOM 0 HD12 ILE A 46 1.815 -0.270 1.261 1.00 1.25 H new ATOM 0 HD13 ILE A 46 1.466 -1.282 -0.160 1.00 1.25 H new ATOM 698 N LYS A 47 3.941 -4.219 4.604 1.00 0.47 N ATOM 699 CA LYS A 47 4.718 -5.406 4.878 1.00 0.58 C ATOM 700 C LYS A 47 3.919 -6.581 4.326 1.00 0.58 C ATOM 701 O LYS A 47 2.745 -6.720 4.659 1.00 0.90 O ATOM 702 CB LYS A 47 4.961 -5.562 6.377 1.00 0.69 C ATOM 703 CG LYS A 47 5.665 -4.326 6.947 1.00 0.78 C ATOM 704 CD LYS A 47 6.427 -4.725 8.215 1.00 0.93 C ATOM 705 CE LYS A 47 7.334 -3.594 8.719 1.00 1.27 C ATOM 706 NZ LYS A 47 8.533 -4.140 9.389 1.00 2.35 N ATOM 0 H LYS A 47 3.180 -4.087 5.270 1.00 0.47 H new ATOM 0 HA LYS A 47 5.701 -5.350 4.410 1.00 0.58 H new ATOM 0 HB2 LYS A 47 4.011 -5.714 6.890 1.00 0.69 H new ATOM 0 HB3 LYS A 47 5.568 -6.449 6.561 1.00 0.69 H new ATOM 0 HG2 LYS A 47 6.352 -3.911 6.210 1.00 0.78 H new ATOM 0 HG3 LYS A 47 4.935 -3.549 7.175 1.00 0.78 H new ATOM 0 HD2 LYS A 47 5.716 -4.995 8.996 1.00 0.93 H new ATOM 0 HD3 LYS A 47 7.030 -5.610 8.013 1.00 0.93 H new ATOM 0 HE2 LYS A 47 7.635 -2.963 7.882 1.00 1.27 H new ATOM 0 HE3 LYS A 47 6.781 -2.961 9.413 1.00 1.27 H new ATOM 0 HZ1 LYS A 47 9.348 -3.523 9.199 1.00 2.35 H new ATOM 0 HZ2 LYS A 47 8.366 -4.187 10.414 1.00 2.35 H new ATOM 0 HZ3 LYS A 47 8.729 -5.095 9.026 1.00 2.35 H new ATOM 720 N TYR A 48 4.533 -7.383 3.467 1.00 0.51 N ATOM 721 CA TYR A 48 3.973 -8.489 2.720 1.00 0.50 C ATOM 722 C TYR A 48 5.139 -9.284 2.147 1.00 0.63 C ATOM 723 O TYR A 48 6.115 -8.686 1.701 1.00 1.08 O ATOM 724 CB TYR A 48 3.089 -7.978 1.567 1.00 0.52 C ATOM 725 CG TYR A 48 3.843 -7.352 0.401 1.00 0.62 C ATOM 726 CD1 TYR A 48 4.667 -6.227 0.603 1.00 1.79 C ATOM 727 CD2 TYR A 48 3.895 -8.026 -0.832 1.00 1.82 C ATOM 728 CE1 TYR A 48 5.592 -5.841 -0.377 1.00 1.85 C ATOM 729 CE2 TYR A 48 4.740 -7.565 -1.854 1.00 1.83 C ATOM 730 CZ TYR A 48 5.622 -6.505 -1.611 1.00 0.83 C ATOM 731 OH TYR A 48 6.534 -6.150 -2.560 1.00 1.09 O ATOM 0 H TYR A 48 5.524 -7.261 3.261 1.00 0.51 H new ATOM 0 HA TYR A 48 3.353 -9.104 3.372 1.00 0.50 H new ATOM 0 HB2 TYR A 48 2.495 -8.810 1.190 1.00 0.52 H new ATOM 0 HB3 TYR A 48 2.391 -7.242 1.965 1.00 0.52 H new ATOM 0 HD1 TYR A 48 4.585 -5.659 1.518 1.00 1.79 H new ATOM 0 HD2 TYR A 48 3.283 -8.901 -0.993 1.00 1.82 H new ATOM 0 HE1 TYR A 48 6.281 -5.033 -0.181 1.00 1.85 H new ATOM 0 HE2 TYR A 48 4.710 -8.029 -2.829 1.00 1.83 H new ATOM 0 HH TYR A 48 6.416 -6.712 -3.354 1.00 1.09 H new ATOM 741 N ASP A 49 5.051 -10.612 2.108 1.00 0.57 N ATOM 742 CA ASP A 49 6.113 -11.367 1.460 1.00 0.72 C ATOM 743 C ASP A 49 6.020 -11.154 -0.063 1.00 0.68 C ATOM 744 O ASP A 49 4.948 -11.349 -0.642 1.00 0.77 O ATOM 745 CB ASP A 49 6.053 -12.835 1.869 1.00 1.02 C ATOM 746 CG ASP A 49 7.046 -13.664 1.063 1.00 2.54 C ATOM 747 OD1 ASP A 49 6.830 -13.814 -0.162 1.00 3.83 O ATOM 748 OD2 ASP A 49 8.040 -14.100 1.679 1.00 3.46 O ATOM 0 H ASP A 49 4.289 -11.166 2.500 1.00 0.57 H new ATOM 0 HA ASP A 49 7.090 -11.007 1.784 1.00 0.72 H new ATOM 0 HB2 ASP A 49 6.272 -12.930 2.932 1.00 1.02 H new ATOM 0 HB3 ASP A 49 5.044 -13.219 1.716 1.00 1.02 H new ATOM 753 N PRO A 50 7.103 -10.715 -0.723 1.00 0.70 N ATOM 754 CA PRO A 50 7.073 -10.354 -2.128 1.00 0.75 C ATOM 755 C PRO A 50 7.208 -11.555 -3.063 1.00 0.92 C ATOM 756 O PRO A 50 7.028 -11.386 -4.269 1.00 1.30 O ATOM 757 CB PRO A 50 8.241 -9.383 -2.313 1.00 0.88 C ATOM 758 CG PRO A 50 9.266 -9.911 -1.312 1.00 0.93 C ATOM 759 CD PRO A 50 8.384 -10.347 -0.142 1.00 0.82 C ATOM 0 HA PRO A 50 6.111 -9.913 -2.388 1.00 0.75 H new ATOM 0 HB2 PRO A 50 8.624 -9.398 -3.333 1.00 0.88 H new ATOM 0 HB3 PRO A 50 7.953 -8.354 -2.096 1.00 0.88 H new ATOM 0 HG2 PRO A 50 9.841 -10.742 -1.719 1.00 0.93 H new ATOM 0 HG3 PRO A 50 9.981 -9.142 -1.018 1.00 0.93 H new ATOM 0 HD2 PRO A 50 8.828 -11.189 0.389 1.00 0.82 H new ATOM 0 HD3 PRO A 50 8.267 -9.540 0.581 1.00 0.82 H new ATOM 767 N GLU A 51 7.532 -12.746 -2.553 1.00 0.93 N ATOM 768 CA GLU A 51 7.691 -13.925 -3.385 1.00 1.09 C ATOM 769 C GLU A 51 6.337 -14.612 -3.546 1.00 1.07 C ATOM 770 O GLU A 51 5.987 -15.021 -4.651 1.00 1.61 O ATOM 771 CB GLU A 51 8.748 -14.856 -2.777 1.00 1.31 C ATOM 772 CG GLU A 51 10.146 -14.206 -2.802 1.00 2.24 C ATOM 773 CD GLU A 51 10.725 -14.075 -1.406 1.00 2.76 C ATOM 774 OE1 GLU A 51 11.024 -15.122 -0.788 1.00 2.58 O ATOM 775 OE2 GLU A 51 10.826 -12.937 -0.894 1.00 4.18 O ATOM 0 H GLU A 51 7.689 -12.912 -1.559 1.00 0.93 H new ATOM 0 HA GLU A 51 8.044 -13.644 -4.377 1.00 1.09 H new ATOM 0 HB2 GLU A 51 8.475 -15.098 -1.750 1.00 1.31 H new ATOM 0 HB3 GLU A 51 8.771 -15.795 -3.330 1.00 1.31 H new ATOM 0 HG2 GLU A 51 10.815 -14.805 -3.420 1.00 2.24 H new ATOM 0 HG3 GLU A 51 10.082 -13.221 -3.264 1.00 2.24 H new ATOM 782 N ILE A 52 5.573 -14.748 -2.457 1.00 0.91 N ATOM 783 CA ILE A 52 4.309 -15.475 -2.520 1.00 1.00 C ATOM 784 C ILE A 52 3.257 -14.759 -3.371 1.00 1.02 C ATOM 785 O ILE A 52 2.687 -15.359 -4.280 1.00 1.35 O ATOM 786 CB ILE A 52 3.793 -15.860 -1.121 1.00 1.01 C ATOM 787 CG1 ILE A 52 3.465 -14.659 -0.218 1.00 0.68 C ATOM 788 CG2 ILE A 52 4.794 -16.829 -0.470 1.00 1.46 C ATOM 789 CD1 ILE A 52 3.188 -15.068 1.233 1.00 1.02 C ATOM 0 H ILE A 52 5.805 -14.370 -1.538 1.00 0.91 H new ATOM 0 HA ILE A 52 4.513 -16.412 -3.038 1.00 1.00 H new ATOM 0 HB ILE A 52 2.832 -16.358 -1.248 1.00 1.01 H new ATOM 0 HG12 ILE A 52 4.297 -13.955 -0.240 1.00 0.68 H new ATOM 0 HG13 ILE A 52 2.595 -14.137 -0.616 1.00 0.68 H new ATOM 0 HG21 ILE A 52 4.438 -17.108 0.522 1.00 1.46 H new ATOM 0 HG22 ILE A 52 4.888 -17.723 -1.086 1.00 1.46 H new ATOM 0 HG23 ILE A 52 5.766 -16.344 -0.383 1.00 1.46 H new ATOM 0 HD11 ILE A 52 2.962 -14.181 1.824 1.00 1.02 H new ATOM 0 HD12 ILE A 52 2.338 -15.750 1.263 1.00 1.02 H new ATOM 0 HD13 ILE A 52 4.066 -15.565 1.645 1.00 1.02 H new ATOM 801 N ILE A 53 2.974 -13.494 -3.052 1.00 0.85 N ATOM 802 CA ILE A 53 1.901 -12.715 -3.677 1.00 0.87 C ATOM 803 C ILE A 53 2.454 -11.683 -4.667 1.00 0.73 C ATOM 804 O ILE A 53 2.125 -11.719 -5.852 1.00 0.94 O ATOM 805 CB ILE A 53 0.947 -12.147 -2.608 1.00 0.97 C ATOM 806 CG1 ILE A 53 -0.233 -11.437 -3.286 1.00 1.26 C ATOM 807 CG2 ILE A 53 1.605 -11.209 -1.587 1.00 0.81 C ATOM 808 CD1 ILE A 53 -1.423 -11.279 -2.334 1.00 1.65 C ATOM 0 H ILE A 53 3.491 -12.974 -2.343 1.00 0.85 H new ATOM 0 HA ILE A 53 1.288 -13.375 -4.291 1.00 0.87 H new ATOM 0 HB ILE A 53 0.606 -13.009 -2.034 1.00 0.97 H new ATOM 0 HG12 ILE A 53 0.086 -10.455 -3.636 1.00 1.26 H new ATOM 0 HG13 ILE A 53 -0.542 -12.004 -4.164 1.00 1.26 H new ATOM 0 HG21 ILE A 53 0.855 -10.861 -0.877 1.00 0.81 H new ATOM 0 HG22 ILE A 53 2.389 -11.745 -1.053 1.00 0.81 H new ATOM 0 HG23 ILE A 53 2.039 -10.354 -2.105 1.00 0.81 H new ATOM 0 HD11 ILE A 53 -2.238 -10.772 -2.851 1.00 1.65 H new ATOM 0 HD12 ILE A 53 -1.758 -12.262 -2.005 1.00 1.65 H new ATOM 0 HD13 ILE A 53 -1.121 -10.690 -1.468 1.00 1.65 H new ATOM 820 N GLY A 54 3.318 -10.784 -4.197 1.00 0.62 N ATOM 821 CA GLY A 54 4.089 -9.884 -5.048 1.00 0.62 C ATOM 822 C GLY A 54 3.523 -8.461 -5.121 1.00 0.55 C ATOM 823 O GLY A 54 2.371 -8.217 -4.769 1.00 0.56 O ATOM 0 H GLY A 54 3.503 -10.660 -3.202 1.00 0.62 H new ATOM 0 HA2 GLY A 54 5.113 -9.839 -4.678 1.00 0.62 H new ATOM 0 HA3 GLY A 54 4.132 -10.300 -6.055 1.00 0.62 H new ATOM 827 N PRO A 55 4.351 -7.495 -5.554 1.00 0.57 N ATOM 828 CA PRO A 55 4.038 -6.072 -5.511 1.00 0.58 C ATOM 829 C PRO A 55 2.977 -5.663 -6.533 1.00 0.56 C ATOM 830 O PRO A 55 2.178 -4.772 -6.262 1.00 0.56 O ATOM 831 CB PRO A 55 5.364 -5.356 -5.789 1.00 0.67 C ATOM 832 CG PRO A 55 6.171 -6.375 -6.593 1.00 0.70 C ATOM 833 CD PRO A 55 5.728 -7.700 -5.976 1.00 0.63 C ATOM 0 HA PRO A 55 3.613 -5.806 -4.543 1.00 0.58 H new ATOM 0 HB2 PRO A 55 5.210 -4.435 -6.351 1.00 0.67 H new ATOM 0 HB3 PRO A 55 5.873 -5.084 -4.864 1.00 0.67 H new ATOM 0 HG2 PRO A 55 5.943 -6.326 -7.658 1.00 0.70 H new ATOM 0 HG3 PRO A 55 7.244 -6.217 -6.489 1.00 0.70 H new ATOM 0 HD2 PRO A 55 5.799 -8.512 -6.699 1.00 0.63 H new ATOM 0 HD3 PRO A 55 6.361 -7.970 -5.131 1.00 0.63 H new ATOM 841 N ARG A 56 2.990 -6.271 -7.724 1.00 0.59 N ATOM 842 CA ARG A 56 2.112 -5.877 -8.822 1.00 0.65 C ATOM 843 C ARG A 56 0.641 -5.907 -8.393 1.00 0.60 C ATOM 844 O ARG A 56 -0.101 -4.963 -8.655 1.00 0.62 O ATOM 845 CB ARG A 56 2.381 -6.778 -10.039 1.00 0.78 C ATOM 846 CG ARG A 56 1.473 -6.391 -11.213 1.00 2.25 C ATOM 847 CD ARG A 56 1.778 -7.148 -12.510 1.00 2.68 C ATOM 848 NE ARG A 56 3.088 -6.778 -13.073 1.00 3.08 N ATOM 849 CZ ARG A 56 4.231 -7.478 -12.968 1.00 3.77 C ATOM 850 NH1 ARG A 56 4.276 -8.594 -12.230 1.00 4.24 N ATOM 851 NH2 ARG A 56 5.331 -7.051 -13.598 1.00 4.89 N ATOM 0 H ARG A 56 3.610 -7.049 -7.950 1.00 0.59 H new ATOM 0 HA ARG A 56 2.328 -4.847 -9.105 1.00 0.65 H new ATOM 0 HB2 ARG A 56 3.426 -6.692 -10.337 1.00 0.78 H new ATOM 0 HB3 ARG A 56 2.211 -7.821 -9.770 1.00 0.78 H new ATOM 0 HG2 ARG A 56 0.436 -6.574 -10.933 1.00 2.25 H new ATOM 0 HG3 ARG A 56 1.570 -5.321 -11.397 1.00 2.25 H new ATOM 0 HD2 ARG A 56 1.757 -8.221 -12.317 1.00 2.68 H new ATOM 0 HD3 ARG A 56 0.998 -6.941 -13.242 1.00 2.68 H new ATOM 0 HE ARG A 56 3.132 -5.903 -13.595 1.00 3.08 H new ATOM 0 HH11 ARG A 56 3.440 -8.918 -11.743 1.00 4.24 H new ATOM 0 HH12 ARG A 56 5.146 -9.121 -12.154 1.00 4.24 H new ATOM 0 HH21 ARG A 56 5.301 -6.197 -14.155 1.00 4.89 H new ATOM 0 HH22 ARG A 56 6.200 -7.579 -13.521 1.00 4.89 H new ATOM 865 N ASP A 57 0.245 -7.001 -7.737 1.00 0.58 N ATOM 866 CA ASP A 57 -1.071 -7.201 -7.142 1.00 0.53 C ATOM 867 C ASP A 57 -1.476 -5.973 -6.323 1.00 0.47 C ATOM 868 O ASP A 57 -2.460 -5.293 -6.624 1.00 0.46 O ATOM 869 CB ASP A 57 -0.995 -8.460 -6.264 1.00 0.55 C ATOM 870 CG ASP A 57 -2.094 -8.494 -5.215 1.00 1.57 C ATOM 871 OD1 ASP A 57 -3.274 -8.352 -5.593 1.00 2.51 O ATOM 872 OD2 ASP A 57 -1.725 -8.609 -4.028 1.00 2.79 O ATOM 0 H ASP A 57 0.861 -7.803 -7.603 1.00 0.58 H new ATOM 0 HA ASP A 57 -1.830 -7.334 -7.913 1.00 0.53 H new ATOM 0 HB2 ASP A 57 -1.069 -9.346 -6.895 1.00 0.55 H new ATOM 0 HB3 ASP A 57 -0.023 -8.500 -5.772 1.00 0.55 H new ATOM 877 N ILE A 58 -0.675 -5.683 -5.296 1.00 0.46 N ATOM 878 CA ILE A 58 -0.839 -4.522 -4.436 1.00 0.44 C ATOM 879 C ILE A 58 -0.964 -3.264 -5.286 1.00 0.46 C ATOM 880 O ILE A 58 -2.009 -2.620 -5.258 1.00 0.51 O ATOM 881 CB ILE A 58 0.309 -4.475 -3.409 1.00 0.49 C ATOM 882 CG1 ILE A 58 0.100 -5.599 -2.377 1.00 0.52 C ATOM 883 CG2 ILE A 58 0.388 -3.109 -2.712 1.00 0.55 C ATOM 884 CD1 ILE A 58 1.388 -5.946 -1.628 1.00 0.69 C ATOM 0 H ILE A 58 0.122 -6.265 -5.038 1.00 0.46 H new ATOM 0 HA ILE A 58 -1.762 -4.591 -3.861 1.00 0.44 H new ATOM 0 HB ILE A 58 1.255 -4.622 -3.931 1.00 0.49 H new ATOM 0 HG12 ILE A 58 -0.663 -5.294 -1.661 1.00 0.52 H new ATOM 0 HG13 ILE A 58 -0.274 -6.489 -2.883 1.00 0.52 H new ATOM 0 HG21 ILE A 58 1.209 -3.113 -1.995 1.00 0.55 H new ATOM 0 HG22 ILE A 58 0.560 -2.331 -3.455 1.00 0.55 H new ATOM 0 HG23 ILE A 58 -0.548 -2.912 -2.190 1.00 0.55 H new ATOM 0 HD11 ILE A 58 1.189 -6.743 -0.912 1.00 0.69 H new ATOM 0 HD12 ILE A 58 2.144 -6.277 -2.339 1.00 0.69 H new ATOM 0 HD13 ILE A 58 1.750 -5.065 -1.098 1.00 0.69 H new ATOM 896 N ILE A 59 0.072 -2.910 -6.043 1.00 0.47 N ATOM 897 CA ILE A 59 0.104 -1.662 -6.791 1.00 0.49 C ATOM 898 C ILE A 59 -1.160 -1.511 -7.648 1.00 0.48 C ATOM 899 O ILE A 59 -1.861 -0.510 -7.517 1.00 0.50 O ATOM 900 CB ILE A 59 1.437 -1.548 -7.560 1.00 0.55 C ATOM 901 CG1 ILE A 59 2.576 -1.279 -6.558 1.00 0.84 C ATOM 902 CG2 ILE A 59 1.388 -0.460 -8.642 1.00 0.81 C ATOM 903 CD1 ILE A 59 3.968 -1.434 -7.179 1.00 1.28 C ATOM 0 H ILE A 59 0.910 -3.481 -6.153 1.00 0.47 H new ATOM 0 HA ILE A 59 0.081 -0.808 -6.114 1.00 0.49 H new ATOM 0 HB ILE A 59 1.619 -2.490 -8.077 1.00 0.55 H new ATOM 0 HG12 ILE A 59 2.472 -0.269 -6.160 1.00 0.84 H new ATOM 0 HG13 ILE A 59 2.481 -1.965 -5.716 1.00 0.84 H new ATOM 0 HG21 ILE A 59 2.348 -0.416 -9.157 1.00 0.81 H new ATOM 0 HG22 ILE A 59 0.602 -0.695 -9.359 1.00 0.81 H new ATOM 0 HG23 ILE A 59 1.180 0.505 -8.179 1.00 0.81 H new ATOM 0 HD11 ILE A 59 4.728 -1.232 -6.424 1.00 1.28 H new ATOM 0 HD12 ILE A 59 4.089 -2.451 -7.552 1.00 1.28 H new ATOM 0 HD13 ILE A 59 4.079 -0.730 -8.003 1.00 1.28 H new ATOM 915 N HIS A 60 -1.505 -2.503 -8.473 1.00 0.53 N ATOM 916 CA HIS A 60 -2.701 -2.411 -9.303 1.00 0.60 C ATOM 917 C HIS A 60 -3.984 -2.351 -8.468 1.00 0.53 C ATOM 918 O HIS A 60 -4.930 -1.660 -8.844 1.00 0.53 O ATOM 919 CB HIS A 60 -2.747 -3.534 -10.340 1.00 0.82 C ATOM 920 CG HIS A 60 -1.712 -3.375 -11.425 1.00 1.30 C ATOM 921 ND1 HIS A 60 -1.287 -2.190 -11.987 1.00 2.43 N ATOM 922 CD2 HIS A 60 -1.086 -4.392 -12.090 1.00 1.53 C ATOM 923 CE1 HIS A 60 -0.398 -2.495 -12.947 1.00 2.71 C ATOM 924 NE2 HIS A 60 -0.234 -3.828 -13.046 1.00 2.13 N ATOM 0 H HIS A 60 -0.977 -3.369 -8.581 1.00 0.53 H new ATOM 0 HA HIS A 60 -2.642 -1.467 -9.845 1.00 0.60 H new ATOM 0 HB2 HIS A 60 -2.597 -4.490 -9.839 1.00 0.82 H new ATOM 0 HB3 HIS A 60 -3.738 -3.563 -10.792 1.00 0.82 H new ATOM 0 HD1 HIS A 60 -1.592 -1.253 -11.722 1.00 2.43 H new ATOM 0 HD2 HIS A 60 -1.225 -5.448 -11.909 1.00 1.53 H new ATOM 0 HE1 HIS A 60 0.117 -1.768 -13.558 1.00 2.71 H new ATOM 932 N THR A 61 -4.036 -3.036 -7.324 1.00 0.51 N ATOM 933 CA THR A 61 -5.174 -2.889 -6.430 1.00 0.52 C ATOM 934 C THR A 61 -5.283 -1.433 -5.959 1.00 0.44 C ATOM 935 O THR A 61 -6.334 -0.812 -6.093 1.00 0.47 O ATOM 936 CB THR A 61 -5.083 -3.887 -5.267 1.00 0.58 C ATOM 937 OG1 THR A 61 -5.094 -5.203 -5.777 1.00 0.70 O ATOM 938 CG2 THR A 61 -6.278 -3.746 -4.325 1.00 0.64 C ATOM 0 H THR A 61 -3.317 -3.684 -7.004 1.00 0.51 H new ATOM 0 HA THR A 61 -6.093 -3.125 -6.967 1.00 0.52 H new ATOM 0 HB THR A 61 -4.162 -3.681 -4.722 1.00 0.58 H new ATOM 0 HG1 THR A 61 -4.209 -5.422 -6.137 1.00 0.70 H new ATOM 0 HG21 THR A 61 -6.187 -4.465 -3.511 1.00 0.64 H new ATOM 0 HG22 THR A 61 -6.302 -2.736 -3.916 1.00 0.64 H new ATOM 0 HG23 THR A 61 -7.199 -3.936 -4.875 1.00 0.64 H new ATOM 946 N ILE A 62 -4.203 -0.872 -5.414 1.00 0.38 N ATOM 947 CA ILE A 62 -4.198 0.482 -4.878 1.00 0.39 C ATOM 948 C ILE A 62 -4.516 1.503 -5.980 1.00 0.40 C ATOM 949 O ILE A 62 -5.257 2.456 -5.742 1.00 0.44 O ATOM 950 CB ILE A 62 -2.870 0.733 -4.137 1.00 0.48 C ATOM 951 CG1 ILE A 62 -2.604 -0.280 -3.005 1.00 0.59 C ATOM 952 CG2 ILE A 62 -2.827 2.138 -3.540 1.00 0.62 C ATOM 953 CD1 ILE A 62 -3.842 -0.688 -2.206 1.00 1.63 C ATOM 0 H ILE A 62 -3.305 -1.349 -5.333 1.00 0.38 H new ATOM 0 HA ILE A 62 -4.991 0.606 -4.141 1.00 0.39 H new ATOM 0 HB ILE A 62 -2.094 0.615 -4.893 1.00 0.48 H new ATOM 0 HG12 ILE A 62 -2.155 -1.175 -3.436 1.00 0.59 H new ATOM 0 HG13 ILE A 62 -1.871 0.146 -2.320 1.00 0.59 H new ATOM 0 HG21 ILE A 62 -1.878 2.285 -3.024 1.00 0.62 H new ATOM 0 HG22 ILE A 62 -2.925 2.875 -4.337 1.00 0.62 H new ATOM 0 HG23 ILE A 62 -3.647 2.258 -2.832 1.00 0.62 H new ATOM 0 HD11 ILE A 62 -3.557 -1.402 -1.433 1.00 1.63 H new ATOM 0 HD12 ILE A 62 -4.282 0.194 -1.741 1.00 1.63 H new ATOM 0 HD13 ILE A 62 -4.571 -1.148 -2.874 1.00 1.63 H new ATOM 965 N GLU A 63 -4.001 1.279 -7.189 1.00 0.43 N ATOM 966 CA GLU A 63 -4.326 2.033 -8.382 1.00 0.50 C ATOM 967 C GLU A 63 -5.844 1.991 -8.595 1.00 0.53 C ATOM 968 O GLU A 63 -6.518 3.020 -8.562 1.00 0.61 O ATOM 969 CB GLU A 63 -3.524 1.391 -9.523 1.00 0.58 C ATOM 970 CG GLU A 63 -3.613 2.108 -10.864 1.00 0.73 C ATOM 971 CD GLU A 63 -2.843 1.367 -11.958 1.00 1.73 C ATOM 972 OE1 GLU A 63 -2.217 0.329 -11.636 1.00 2.77 O ATOM 973 OE2 GLU A 63 -2.901 1.846 -13.110 1.00 2.70 O ATOM 0 H GLU A 63 -3.322 0.538 -7.362 1.00 0.43 H new ATOM 0 HA GLU A 63 -4.060 3.088 -8.318 1.00 0.50 H new ATOM 0 HB2 GLU A 63 -2.477 1.340 -9.225 1.00 0.58 H new ATOM 0 HB3 GLU A 63 -3.868 0.365 -9.654 1.00 0.58 H new ATOM 0 HG2 GLU A 63 -4.659 2.203 -11.156 1.00 0.73 H new ATOM 0 HG3 GLU A 63 -3.218 3.119 -10.762 1.00 0.73 H new ATOM 980 N SER A 64 -6.388 0.779 -8.750 1.00 0.55 N ATOM 981 CA SER A 64 -7.811 0.530 -8.958 1.00 0.61 C ATOM 982 C SER A 64 -8.670 1.213 -7.886 1.00 0.60 C ATOM 983 O SER A 64 -9.706 1.797 -8.200 1.00 0.72 O ATOM 984 CB SER A 64 -8.057 -0.982 -9.022 1.00 0.65 C ATOM 985 OG SER A 64 -9.406 -1.273 -9.332 1.00 1.03 O ATOM 0 H SER A 64 -5.832 -0.076 -8.733 1.00 0.55 H new ATOM 0 HA SER A 64 -8.114 0.970 -9.908 1.00 0.61 H new ATOM 0 HB2 SER A 64 -7.405 -1.427 -9.774 1.00 0.65 H new ATOM 0 HB3 SER A 64 -7.796 -1.435 -8.066 1.00 0.65 H new ATOM 0 HG SER A 64 -9.531 -2.244 -9.367 1.00 1.03 H new ATOM 991 N LEU A 65 -8.231 1.187 -6.624 1.00 0.54 N ATOM 992 CA LEU A 65 -8.936 1.824 -5.514 1.00 0.56 C ATOM 993 C LEU A 65 -8.891 3.359 -5.561 1.00 0.56 C ATOM 994 O LEU A 65 -9.396 3.997 -4.632 1.00 0.83 O ATOM 995 CB LEU A 65 -8.382 1.306 -4.180 1.00 0.65 C ATOM 996 CG LEU A 65 -8.676 -0.182 -3.936 1.00 1.21 C ATOM 997 CD1 LEU A 65 -7.786 -0.665 -2.793 1.00 1.79 C ATOM 998 CD2 LEU A 65 -10.137 -0.458 -3.562 1.00 1.96 C ATOM 0 H LEU A 65 -7.369 0.719 -6.345 1.00 0.54 H new ATOM 0 HA LEU A 65 -9.987 1.552 -5.609 1.00 0.56 H new ATOM 0 HB2 LEU A 65 -7.304 1.465 -4.156 1.00 0.65 H new ATOM 0 HB3 LEU A 65 -8.808 1.892 -3.366 1.00 0.65 H new ATOM 0 HG LEU A 65 -8.476 -0.710 -4.868 1.00 1.21 H new ATOM 0 HD11 LEU A 65 -7.979 -1.721 -2.603 1.00 1.79 H new ATOM 0 HD12 LEU A 65 -6.739 -0.531 -3.065 1.00 1.79 H new ATOM 0 HD13 LEU A 65 -8.004 -0.089 -1.894 1.00 1.79 H new ATOM 0 HD21 LEU A 65 -10.276 -1.527 -3.404 1.00 1.96 H new ATOM 0 HD22 LEU A 65 -10.386 0.080 -2.647 1.00 1.96 H new ATOM 0 HD23 LEU A 65 -10.789 -0.123 -4.369 1.00 1.96 H new ATOM 1010 N GLY A 66 -8.338 3.960 -6.618 1.00 0.65 N ATOM 1011 CA GLY A 66 -8.439 5.385 -6.881 1.00 0.65 C ATOM 1012 C GLY A 66 -7.346 6.158 -6.158 1.00 0.51 C ATOM 1013 O GLY A 66 -7.619 7.196 -5.556 1.00 0.61 O ATOM 0 H GLY A 66 -7.800 3.455 -7.323 1.00 0.65 H new ATOM 0 HA2 GLY A 66 -8.367 5.565 -7.954 1.00 0.65 H new ATOM 0 HA3 GLY A 66 -9.416 5.748 -6.562 1.00 0.65 H new ATOM 1017 N PHE A 67 -6.110 5.662 -6.242 1.00 0.45 N ATOM 1018 CA PHE A 67 -4.931 6.315 -5.693 1.00 0.42 C ATOM 1019 C PHE A 67 -3.792 6.258 -6.704 1.00 0.52 C ATOM 1020 O PHE A 67 -3.927 5.607 -7.737 1.00 0.81 O ATOM 1021 CB PHE A 67 -4.521 5.614 -4.399 1.00 0.51 C ATOM 1022 CG PHE A 67 -5.615 5.549 -3.362 1.00 0.54 C ATOM 1023 CD1 PHE A 67 -6.086 6.743 -2.799 1.00 1.46 C ATOM 1024 CD2 PHE A 67 -6.200 4.322 -3.002 1.00 1.87 C ATOM 1025 CE1 PHE A 67 -7.138 6.713 -1.876 1.00 1.44 C ATOM 1026 CE2 PHE A 67 -7.211 4.288 -2.029 1.00 1.92 C ATOM 1027 CZ PHE A 67 -7.666 5.485 -1.449 1.00 0.66 C ATOM 0 H PHE A 67 -5.902 4.777 -6.704 1.00 0.45 H new ATOM 0 HA PHE A 67 -5.158 7.359 -5.479 1.00 0.42 H new ATOM 0 HB2 PHE A 67 -4.197 4.600 -4.634 1.00 0.51 H new ATOM 0 HB3 PHE A 67 -3.662 6.133 -3.974 1.00 0.51 H new ATOM 0 HD1 PHE A 67 -5.638 7.685 -3.077 1.00 1.46 H new ATOM 0 HD2 PHE A 67 -5.872 3.407 -3.473 1.00 1.87 H new ATOM 0 HE1 PHE A 67 -7.544 7.637 -1.492 1.00 1.44 H new ATOM 0 HE2 PHE A 67 -7.639 3.344 -1.726 1.00 1.92 H new ATOM 0 HZ PHE A 67 -8.420 5.460 -0.676 1.00 0.66 H new ATOM 1037 N GLU A 68 -2.665 6.914 -6.392 1.00 0.51 N ATOM 1038 CA GLU A 68 -1.510 6.995 -7.286 1.00 0.63 C ATOM 1039 C GLU A 68 -0.275 6.255 -6.738 1.00 0.53 C ATOM 1040 O GLU A 68 0.708 6.912 -6.391 1.00 0.60 O ATOM 1041 CB GLU A 68 -1.249 8.482 -7.573 1.00 0.93 C ATOM 1042 CG GLU A 68 -0.336 8.757 -8.771 1.00 1.85 C ATOM 1043 CD GLU A 68 0.132 10.203 -8.732 1.00 2.62 C ATOM 1044 OE1 GLU A 68 1.041 10.506 -7.933 1.00 3.61 O ATOM 1045 OE2 GLU A 68 -0.453 11.043 -9.448 1.00 3.15 O ATOM 0 H GLU A 68 -2.532 7.404 -5.507 1.00 0.51 H new ATOM 0 HA GLU A 68 -1.728 6.478 -8.220 1.00 0.63 H new ATOM 0 HB2 GLU A 68 -2.205 8.978 -7.742 1.00 0.93 H new ATOM 0 HB3 GLU A 68 -0.807 8.936 -6.686 1.00 0.93 H new ATOM 0 HG2 GLU A 68 0.522 8.085 -8.749 1.00 1.85 H new ATOM 0 HG3 GLU A 68 -0.870 8.562 -9.701 1.00 1.85 H new ATOM 1052 N PRO A 69 -0.297 4.908 -6.653 1.00 0.55 N ATOM 1053 CA PRO A 69 0.759 4.107 -6.040 1.00 0.60 C ATOM 1054 C PRO A 69 2.076 4.188 -6.810 1.00 0.67 C ATOM 1055 O PRO A 69 2.399 3.328 -7.628 1.00 1.10 O ATOM 1056 CB PRO A 69 0.213 2.684 -5.939 1.00 0.68 C ATOM 1057 CG PRO A 69 -0.799 2.627 -7.068 1.00 0.72 C ATOM 1058 CD PRO A 69 -1.371 4.040 -7.106 1.00 0.67 C ATOM 0 HA PRO A 69 1.011 4.488 -5.050 1.00 0.60 H new ATOM 0 HB2 PRO A 69 1.000 1.940 -6.064 1.00 0.68 H new ATOM 0 HB3 PRO A 69 -0.251 2.497 -4.971 1.00 0.68 H new ATOM 0 HG2 PRO A 69 -0.330 2.359 -8.014 1.00 0.72 H new ATOM 0 HG3 PRO A 69 -1.574 1.885 -6.875 1.00 0.72 H new ATOM 0 HD2 PRO A 69 -1.692 4.306 -8.113 1.00 0.67 H new ATOM 0 HD3 PRO A 69 -2.244 4.127 -6.460 1.00 0.67 H new ATOM 1066 N SER A 70 2.849 5.222 -6.501 1.00 0.67 N ATOM 1067 CA SER A 70 4.138 5.520 -7.090 1.00 0.80 C ATOM 1068 C SER A 70 5.222 5.071 -6.115 1.00 0.80 C ATOM 1069 O SER A 70 5.209 5.487 -4.958 1.00 1.04 O ATOM 1070 CB SER A 70 4.215 7.030 -7.323 1.00 1.07 C ATOM 1071 OG SER A 70 3.053 7.475 -7.998 1.00 2.28 O ATOM 0 H SER A 70 2.575 5.907 -5.797 1.00 0.67 H new ATOM 0 HA SER A 70 4.275 5.003 -8.039 1.00 0.80 H new ATOM 0 HB2 SER A 70 4.313 7.549 -6.370 1.00 1.07 H new ATOM 0 HB3 SER A 70 5.101 7.271 -7.910 1.00 1.07 H new ATOM 0 HG SER A 70 2.282 7.414 -7.397 1.00 2.28 H new ATOM 1077 N LEU A 71 6.166 4.235 -6.554 1.00 0.81 N ATOM 1078 CA LEU A 71 7.285 3.852 -5.700 1.00 0.90 C ATOM 1079 C LEU A 71 8.010 5.115 -5.225 1.00 1.19 C ATOM 1080 O LEU A 71 8.219 6.044 -6.004 1.00 1.82 O ATOM 1081 CB LEU A 71 8.210 2.851 -6.410 1.00 1.10 C ATOM 1082 CG LEU A 71 9.025 3.471 -7.558 1.00 2.46 C ATOM 1083 CD1 LEU A 71 10.452 3.820 -7.109 1.00 3.58 C ATOM 1084 CD2 LEU A 71 9.102 2.500 -8.742 1.00 3.18 C ATOM 0 H LEU A 71 6.176 3.817 -7.484 1.00 0.81 H new ATOM 0 HA LEU A 71 6.916 3.330 -4.817 1.00 0.90 H new ATOM 0 HB2 LEU A 71 8.896 2.422 -5.679 1.00 1.10 H new ATOM 0 HB3 LEU A 71 7.610 2.031 -6.804 1.00 1.10 H new ATOM 0 HG LEU A 71 8.516 4.387 -7.859 1.00 2.46 H new ATOM 0 HD11 LEU A 71 11.000 4.256 -7.944 1.00 3.58 H new ATOM 0 HD12 LEU A 71 10.410 4.537 -6.289 1.00 3.58 H new ATOM 0 HD13 LEU A 71 10.960 2.915 -6.775 1.00 3.58 H new ATOM 0 HD21 LEU A 71 9.682 2.953 -9.547 1.00 3.18 H new ATOM 0 HD22 LEU A 71 9.583 1.575 -8.424 1.00 3.18 H new ATOM 0 HD23 LEU A 71 8.096 2.281 -9.099 1.00 3.18 H new ATOM 1096 N VAL A 72 8.337 5.178 -3.935 1.00 1.38 N ATOM 1097 CA VAL A 72 8.899 6.387 -3.344 1.00 1.78 C ATOM 1098 C VAL A 72 10.360 6.562 -3.773 1.00 1.45 C ATOM 1099 O VAL A 72 10.748 7.628 -4.243 1.00 2.26 O ATOM 1100 CB VAL A 72 8.672 6.398 -1.820 1.00 2.66 C ATOM 1101 CG1 VAL A 72 9.308 5.217 -1.075 1.00 3.70 C ATOM 1102 CG2 VAL A 72 9.154 7.716 -1.203 1.00 3.87 C ATOM 0 H VAL A 72 8.222 4.404 -3.280 1.00 1.38 H new ATOM 0 HA VAL A 72 8.377 7.266 -3.722 1.00 1.78 H new ATOM 0 HB VAL A 72 7.594 6.296 -1.696 1.00 2.66 H new ATOM 0 HG11 VAL A 72 9.099 5.304 -0.009 1.00 3.70 H new ATOM 0 HG12 VAL A 72 8.891 4.283 -1.451 1.00 3.70 H new ATOM 0 HG13 VAL A 72 10.386 5.224 -1.235 1.00 3.70 H new ATOM 0 HG21 VAL A 72 8.982 7.698 -0.127 1.00 3.87 H new ATOM 0 HG22 VAL A 72 10.219 7.841 -1.399 1.00 3.87 H new ATOM 0 HG23 VAL A 72 8.604 8.547 -1.644 1.00 3.87 H new ATOM 1112 N LYS A 73 11.156 5.504 -3.611 1.00 1.53 N ATOM 1113 CA LYS A 73 12.557 5.375 -3.986 1.00 2.58 C ATOM 1114 C LYS A 73 12.952 3.944 -3.623 1.00 3.09 C ATOM 1115 O LYS A 73 12.137 3.227 -3.038 1.00 3.95 O ATOM 1116 CB LYS A 73 13.444 6.409 -3.262 1.00 3.62 C ATOM 1117 CG LYS A 73 13.420 6.244 -1.736 1.00 4.33 C ATOM 1118 CD LYS A 73 14.149 7.404 -1.047 1.00 6.09 C ATOM 1119 CE LYS A 73 14.118 7.234 0.478 1.00 7.18 C ATOM 1120 NZ LYS A 73 15.077 6.210 0.934 1.00 7.34 N ATOM 0 H LYS A 73 10.805 4.649 -3.179 1.00 1.53 H new ATOM 0 HA LYS A 73 12.699 5.571 -5.049 1.00 2.58 H new ATOM 0 HB2 LYS A 73 14.470 6.314 -3.618 1.00 3.62 H new ATOM 0 HB3 LYS A 73 13.109 7.414 -3.520 1.00 3.62 H new ATOM 0 HG2 LYS A 73 12.388 6.200 -1.387 1.00 4.33 H new ATOM 0 HG3 LYS A 73 13.890 5.300 -1.461 1.00 4.33 H new ATOM 0 HD2 LYS A 73 15.182 7.447 -1.392 1.00 6.09 H new ATOM 0 HD3 LYS A 73 13.681 8.349 -1.322 1.00 6.09 H new ATOM 0 HE2 LYS A 73 14.349 8.187 0.955 1.00 7.18 H new ATOM 0 HE3 LYS A 73 13.112 6.956 0.792 1.00 7.18 H new ATOM 0 HZ1 LYS A 73 14.847 5.928 1.908 1.00 7.34 H new ATOM 0 HZ2 LYS A 73 15.021 5.379 0.311 1.00 7.34 H new ATOM 0 HZ3 LYS A 73 16.041 6.600 0.905 1.00 7.34 H new ATOM 1134 N ILE A 74 14.189 3.548 -3.922 1.00 3.84 N ATOM 1135 CA ILE A 74 14.816 2.344 -3.404 1.00 5.45 C ATOM 1136 C ILE A 74 16.288 2.675 -3.169 1.00 6.17 C ATOM 1137 O ILE A 74 16.809 3.577 -3.829 1.00 6.26 O ATOM 1138 CB ILE A 74 14.647 1.132 -4.347 1.00 6.96 C ATOM 1139 CG1 ILE A 74 15.427 1.200 -5.676 1.00 7.57 C ATOM 1140 CG2 ILE A 74 13.171 0.782 -4.587 1.00 8.03 C ATOM 1141 CD1 ILE A 74 15.050 2.345 -6.623 1.00 7.84 C ATOM 0 H ILE A 74 14.796 4.075 -4.550 1.00 3.84 H new ATOM 0 HA ILE A 74 14.332 2.046 -2.474 1.00 5.45 H new ATOM 0 HB ILE A 74 15.116 0.318 -3.795 1.00 6.96 H new ATOM 0 HG12 ILE A 74 16.489 1.281 -5.446 1.00 7.57 H new ATOM 0 HG13 ILE A 74 15.286 0.257 -6.205 1.00 7.57 H new ATOM 0 HG21 ILE A 74 13.105 -0.076 -5.256 1.00 8.03 H new ATOM 0 HG22 ILE A 74 12.696 0.539 -3.637 1.00 8.03 H new ATOM 0 HG23 ILE A 74 12.664 1.634 -5.039 1.00 8.03 H new ATOM 0 HD11 ILE A 74 15.663 2.290 -7.522 1.00 7.84 H new ATOM 0 HD12 ILE A 74 13.998 2.260 -6.896 1.00 7.84 H new ATOM 0 HD13 ILE A 74 15.220 3.300 -6.125 1.00 7.84 H new ATOM 1153 N GLU A 75 16.928 1.934 -2.267 1.00 7.32 N ATOM 1154 CA GLU A 75 18.342 1.936 -1.966 1.00 8.69 C ATOM 1155 C GLU A 75 18.645 0.496 -1.546 1.00 10.10 C ATOM 1156 O GLU A 75 19.844 0.149 -1.480 1.00 11.38 O ATOM 1157 CB GLU A 75 18.661 2.904 -0.815 1.00 8.92 C ATOM 1158 CG GLU A 75 18.524 4.391 -1.189 1.00 8.23 C ATOM 1159 CD GLU A 75 17.290 5.061 -0.603 1.00 8.22 C ATOM 1160 OE1 GLU A 75 16.180 4.481 -0.615 1.00 8.52 O ATOM 1161 OE2 GLU A 75 17.436 6.187 -0.073 1.00 8.45 O ATOM 1162 OXT GLU A 75 17.650 -0.227 -1.294 1.00 10.23 O ATOM 0 H GLU A 75 16.422 1.266 -1.686 1.00 7.32 H new ATOM 0 HA GLU A 75 18.940 2.263 -2.817 1.00 8.69 H new ATOM 0 HB2 GLU A 75 17.997 2.688 0.022 1.00 8.92 H new ATOM 0 HB3 GLU A 75 19.678 2.719 -0.470 1.00 8.92 H new ATOM 0 HG2 GLU A 75 19.412 4.925 -0.849 1.00 8.23 H new ATOM 0 HG3 GLU A 75 18.494 4.482 -2.275 1.00 8.23 H new TER 1169 GLU A 75